#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 6.85 -0.29 1.61 0.15 -1.26 -4.99 113.70 115.76 2dnx s SER 2 Ca 0.00 2.53 -0.11 0.00 0.70 0.00 0.00 55.95 59.07 2dnx s SER 2 Cb 0.00 -2.63 -0.03 0.00 -1.71 0.00 0.00 66.02 61.65 2dnx s SER 2 CO 0.00 -0.53 0.17 -0.55 1.20 0.00 0.00 173.24 173.54 2dnx s SER 3 N -0.01 5.80 0.00 5.45 0.15 -1.26 -4.97 113.70 118.86 2dnx s SER 3 Ca 0.54 -0.22 0.00 0.00 0.70 0.00 0.00 55.95 56.97 2dnx s SER 3 Cb -0.38 -2.07 0.00 0.00 -1.71 0.00 0.00 66.02 61.86 2dnx s SER 3 CO 0.44 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 175.37 2dnx n GLY 4 N 5.03 2.15 0.58 9.45 0.00 -1.26 -5.06 105.19 116.08 2dnx n GLY 4 Ca -0.14 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 43.88 2dnx n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dnx n SER 5 N 0.00 -1.09 -4.03 1.61 2.88 -1.26 -4.80 113.62 106.93 2dnx n SER 5 Ca 0.00 0.58 -0.10 0.00 -1.33 0.00 0.00 58.87 58.02 2dnx n SER 5 Cb 0.00 1.36 -0.07 0.00 -0.75 0.00 0.00 64.21 64.75 2dnx n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dnx s SER 6 N -2.00 0.00 -0.22 -3.46 1.04 -1.26 -5.06 113.70 102.75 2dnx s SER 6 Ca 0.00 -1.01 0.01 0.00 0.48 0.00 0.00 55.95 55.43 2dnx s SER 6 Cb 0.00 0.49 0.05 0.00 0.10 0.00 0.00 66.02 66.66 2dnx s SER 6 CO 0.00 -0.99 -0.10 -0.83 0.98 0.00 0.00 173.24 172.30 2dnx s GLY 7 N -3.03 1.36 -0.09 7.32 0.00 -1.26 -4.39 107.32 107.24 2dnx s GLY 7 Ca 0.24 -1.36 -0.33 0.00 0.00 0.00 0.00 44.72 43.27 2dnx s GLY 7 CO 0.07 0.72 1.40 1.20 0.00 0.00 0.00 173.10 176.49 2dnx s GLN 8 N 1.33 0.10 0.02 2.90 -1.52 -1.26 -5.10 119.66 116.13 2dnx s GLN 8 Ca -0.04 -0.06 -0.37 0.00 -1.95 0.00 0.00 55.36 52.95 2dnx s GLN 8 Cb -0.18 0.04 -0.16 0.00 -0.22 0.00 0.00 33.01 32.49 2dnx s GLN 8 CO -0.07 -0.05 1.47 1.28 -0.25 0.00 0.00 175.29 177.67 2dnx n LEU 9 N -0.48 2.03 -3.21 2.90 4.77 -1.26 -3.06 117.00 118.69 2dnx n LEU 9 Ca -0.09 1.10 -0.15 0.00 -0.03 0.00 0.00 56.01 56.84 2dnx n LEU 9 Cb 0.63 -1.22 0.02 0.00 -2.33 0.00 0.00 43.42 40.52 2dnx n LEU 9 CO 0.11 -0.80 -0.37 0.54 -1.33 0.00 0.00 177.39 175.55 2dnx n ARG 10 N 3.34 -1.46 -4.13 3.23 1.74 -1.26 -5.00 116.66 113.12 2dnx n ARG 10 Ca 0.20 1.38 -0.16 0.00 -0.77 0.00 0.00 57.85 58.50 2dnx n ARG 10 Cb 0.19 -2.35 -0.12 0.00 -1.02 0.00 0.00 32.46 29.17 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 -1.40 1.34 0.18 0.55 1.11 -1.17 -4.97 116.67 112.31 2dnx s ASP 11 Ca 0.16 -0.58 -0.17 0.00 0.18 0.00 0.00 52.55 52.14 2dnx s ASP 11 Cb -0.02 -0.02 0.15 0.00 1.07 0.00 0.00 42.92 44.10 2dnx s ASP 11 CO 0.48 -0.12 1.27 0.33 1.18 0.00 0.00 175.17 178.31 2dnx n PHE 12 N 1.38 -0.05 0.18 4.23 -0.00 -1.26 0.16 117.46 122.10 2dnx n PHE 12 Ca -0.22 1.01 -0.07 0.00 -0.00 0.00 0.00 57.45 58.17 2dnx n PHE 12 Cb 0.54 -0.76 -0.04 0.00 -0.00 0.00 0.00 39.48 39.23 2dnx n PHE 12 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 2dnx h SER 13 N 0.00 -0.42 -0.91 -2.13 0.87 -1.87 1.46 113.55 110.54 2dnx h SER 13 Ca 0.25 0.02 0.22 0.00 -1.23 0.00 0.00 61.79 61.05 2dnx h SER 13 Cb 0.46 0.11 -0.17 0.00 -0.44 0.00 0.00 62.40 62.37 2dnx h SER 13 CO -0.81 -0.29 -0.03 0.28 -0.53 0.00 0.00 176.83 175.45 2dnx h SER 14 N -0.47 -0.52 0.37 6.23 0.02 -1.34 0.39 113.55 118.23 2dnx h SER 14 Ca -0.05 0.25 -0.02 0.00 -0.84 0.00 0.00 61.79 61.14 2dnx h SER 14 Cb 0.36 0.46 0.00 0.00 0.14 0.00 0.00 62.40 63.37 2dnx h SER 14 CO 0.07 -0.29 -0.18 0.40 -1.14 0.00 0.00 176.83 175.69 2dnx h ILE 15 N 0.04 0.00 -0.50 3.27 2.04 0.18 -2.85 117.51 119.69 2dnx h ILE 15 Ca 0.51 -0.15 0.04 0.00 1.00 0.00 0.00 64.86 66.27 2dnx h ILE 15 Cb 0.96 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.98 2dnx h ILE 15 CO -0.85 0.00 -0.29 -0.38 0.00 0.00 0.00 178.15 176.63 2dnx n ILE 16 N -3.74 -0.34 -0.32 -0.67 5.41 0.50 0.14 119.36 120.33 2dnx n ILE 16 Ca -0.06 1.74 0.09 0.00 1.00 0.00 0.00 62.75 65.52 2dnx n ILE 16 Cb 0.20 -2.20 0.19 0.00 -0.71 0.00 0.00 39.64 37.12 2dnx n ILE 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2dnx n GLN 17 N -4.14 -0.08 -0.13 0.38 6.02 0.13 0.17 117.38 119.73 2dnx n GLN 17 Ca 0.01 1.40 -0.11 0.00 -0.01 0.00 0.00 57.00 58.29 2dnx n GLN 17 Cb 0.13 -2.15 -0.02 0.00 1.02 0.00 0.00 30.24 29.22 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 1.27 0.40 5.09 2.02 0.14 -2.05 112.91 119.78 2dnx h THR 18 Ca 0.49 -1.05 -0.01 0.00 0.77 0.00 0.00 66.41 66.61 2dnx h THR 18 Cb 0.88 1.21 -0.02 0.00 -1.74 0.00 0.00 68.15 68.49 2dnx h THR 18 CO -0.90 0.35 -0.43 0.00 0.37 0.00 0.00 175.52 174.91 2dnx h SER 20 N -0.83 -0.66 0.74 0.00 4.64 -0.23 -0.33 113.55 116.87 2dnx h SER 20 Ca -0.05 0.23 -0.03 0.00 -0.47 0.00 0.00 61.79 61.46 2dnx h SER 20 Cb 0.73 0.46 -0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2dnx h SER 20 CO -0.07 -0.25 -0.47 1.23 -0.87 0.00 0.00 176.83 176.41 2dnx h GLY 21 N 0.01 -1.29 -0.98 -0.77 0.00 -0.73 -2.33 103.07 96.97 2dnx h GLY 21 Ca 0.37 0.53 0.12 0.00 0.00 0.00 0.00 47.33 48.35 2dnx h GLY 21 CO -0.77 -0.43 -0.51 3.43 0.00 0.00 0.00 176.54 178.26 2dnx h ASN 22 N -1.14 -1.86 -0.36 0.19 4.21 0.12 0.11 115.58 116.85 2dnx h ASN 22 Ca -0.10 0.32 0.04 0.00 1.21 0.00 0.00 56.30 57.77 2dnx h ASN 22 Cb 0.91 0.87 -0.06 0.00 -1.12 0.00 0.00 38.32 38.93 2dnx h ASN 22 CO 0.09 -0.26 -0.33 0.40 -1.29 0.00 0.00 177.43 176.05 2dnx h ILE 23 N -0.01 0.00 -0.84 2.81 2.04 -0.95 0.31 117.51 120.87 2dnx h ILE 23 Ca 0.23 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.17 2dnx h ILE 23 Cb 0.49 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.47 2dnx h ILE 23 CO -0.95 0.00 -0.50 0.00 0.00 0.00 0.00 178.15 176.70 2dnx n GLN 24 N -4.26 -0.37 -0.02 2.37 1.13 0.28 -0.53 117.38 115.97 2dnx n GLN 24 Ca -0.01 1.39 -0.12 0.00 -1.94 0.00 0.00 57.00 56.32 2dnx n GLN 24 Cb 0.18 -2.05 -0.06 0.00 0.11 0.00 0.00 30.24 28.42 2dnx n GLN 24 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2dnx h ARG 25 N 0.00 -0.45 -0.87 -1.09 -0.00 -0.01 0.93 114.38 112.88 2dnx h ARG 25 Ca 0.13 0.03 0.17 0.00 -0.50 0.00 0.00 59.98 59.82 2dnx h ARG 25 Cb 0.35 0.10 -0.17 0.00 0.00 0.00 0.00 29.97 30.25 2dnx h ARG 25 CO -0.79 -0.30 -0.23 0.82 0.00 0.00 0.00 179.97 179.47 2dnx h ILE 26 N -0.47 0.12 -0.28 2.04 2.04 0.22 1.40 117.51 122.58 2dnx h ILE 26 Ca 0.08 0.00 -0.12 0.00 1.00 0.00 0.00 64.86 65.83 2dnx h ILE 26 Cb 0.62 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 2dnx h ILE 26 CO -0.43 0.00 -0.31 -1.28 0.00 0.00 0.00 178.15 176.13 2dnx h SER 27 N -0.00 0.60 0.41 1.72 0.87 0.86 -2.10 113.55 115.90 2dnx h SER 27 Ca 0.41 -0.23 -0.02 0.00 -1.23 0.00 0.00 61.79 60.72 2dnx h SER 27 Cb 0.64 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.44 2dnx h SER 27 CO -0.90 0.87 -0.20 1.56 -0.53 0.00 0.00 176.83 177.64 2dnx h GLN 28 N 0.50 -0.53 -0.98 2.24 4.20 0.91 -0.72 115.11 120.74 2dnx h GLN 28 Ca 0.06 0.04 0.24 0.00 0.06 0.00 0.00 58.65 59.05 2dnx h GLN 28 Cb 0.78 0.12 -0.13 0.00 0.30 0.00 0.00 27.48 28.55 2dnx h GLN 28 CO 0.06 -0.35 0.55 0.00 -0.67 0.00 0.00 178.83 178.42 2dnx h ALA 29 N -1.74 1.72 0.00 3.87 0.00 -0.09 1.58 119.26 124.60 2dnx h ALA 29 Ca -0.06 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2dnx h ALA 29 Cb 0.42 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 2dnx h ALA 29 CO 0.09 -0.29 -0.05 1.15 0.00 0.00 0.00 179.25 180.15 2dnx h THR 30 N 0.53 0.82 0.20 0.00 2.02 -1.13 -1.18 112.91 114.17 2dnx h THR 30 Ca 0.63 -0.18 -0.31 0.00 0.77 0.00 0.00 66.41 67.32 2dnx h THR 30 Cb 1.20 1.10 0.02 0.00 -1.74 0.00 0.00 68.15 68.74 2dnx h THR 30 CO -0.49 0.05 -1.37 0.00 0.37 0.00 0.00 175.52 174.08 2dnx h ALA 31 N 1.95 -0.05 -0.72 6.16 0.00 0.38 -3.01 119.26 123.97 2dnx h ALA 31 Ca -0.00 -0.86 0.01 0.00 0.00 0.00 0.00 54.91 54.06 2dnx h ALA 31 Cb 0.10 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 2dnx h ALA 31 CO 0.01 0.81 0.48 1.96 0.00 0.00 0.00 179.25 182.50 2dnx h GLN 32 N 0.13 0.94 -0.16 0.00 4.20 0.13 0.81 115.11 121.16 2dnx h GLN 32 Ca -0.20 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.42 2dnx h GLN 32 Cb 2.07 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 29.63 2dnx h GLN 32 CO 0.25 0.62 -0.02 0.82 -0.67 0.00 0.00 178.83 179.83 2dnx h ILE 33 N 0.97 1.27 -0.11 2.54 2.04 -1.37 1.48 117.51 124.34 2dnx h ILE 33 Ca 0.27 -0.93 -0.08 0.00 1.00 0.00 0.00 64.86 65.12 2dnx h ILE 33 Cb -0.10 1.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 2dnx h ILE 33 CO -0.06 0.27 -0.31 0.11 0.00 0.00 0.00 178.15 178.17 2dnx h LYS 34 N 0.02 0.21 0.09 2.37 1.57 -1.25 1.08 116.57 120.65 2dnx h LYS 34 Ca 0.04 -0.08 -0.28 0.00 -1.87 0.00 0.00 60.65 58.47 2dnx h LYS 34 Cb 0.43 -0.01 0.02 0.00 0.08 0.00 0.00 32.23 32.75 2dnx h LYS 34 CO 0.01 0.50 -1.18 -0.91 -0.57 0.00 0.00 179.45 177.30 2dnx h ASN 35 N 0.18 0.77 1.31 0.86 4.21 0.91 -3.10 115.58 120.72 2dnx h ASN 35 Ca 0.03 -0.70 0.00 0.00 1.21 0.00 0.00 56.30 56.84 2dnx h ASN 35 Cb 0.64 -0.24 0.00 0.00 -1.12 0.00 0.00 38.32 37.60 2dnx h ASN 35 CO 0.05 1.51 -0.06 0.18 -1.29 0.00 0.00 177.43 177.81 2dnx n LEU 36 N -3.76 0.63 0.38 1.61 4.77 0.51 -3.83 117.00 117.30 2dnx n LEU 36 Ca -0.12 0.52 -0.15 0.00 -0.03 0.00 0.00 56.01 56.23 2dnx n LEU 36 Cb 0.96 -0.34 -0.07 0.00 -2.33 0.00 0.00 43.42 41.63 2dnx n LEU 36 CO 0.56 -0.13 0.46 -0.03 -1.33 0.00 0.00 177.39 176.93 2dnx h MET 37 N 0.00 -0.93 -0.80 3.23 4.05 0.13 -1.66 114.93 118.95 2dnx h MET 37 Ca 0.00 0.06 0.20 0.00 -0.28 0.00 0.00 59.70 59.68 2dnx h MET 37 Cb 0.69 0.21 -0.05 0.00 -0.80 0.00 0.00 31.60 31.65 2dnx h MET 37 CO 0.00 -0.62 0.55 0.77 0.23 0.00 0.00 176.91 177.84 2dnx h SER 38 N -1.08 0.21 0.77 1.39 0.02 -1.67 0.16 113.55 113.35 2dnx h SER 38 Ca -0.10 0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 60.83 2dnx h SER 38 Cb 0.74 -0.02 0.01 0.00 0.14 0.00 0.00 62.40 63.27 2dnx h SER 38 CO 0.16 0.09 -0.37 1.56 -1.14 0.00 0.00 176.83 177.13 2dnx h GLN 39 N 0.21 -0.99 0.00 3.45 4.20 -1.60 -2.18 115.11 118.20 2dnx h GLN 39 Ca 0.40 0.07 0.00 0.00 0.06 0.00 0.00 58.65 59.18 2dnx h GLN 39 Cb 1.24 0.23 0.00 0.00 0.30 0.00 0.00 27.48 29.24 2dnx h GLN 39 CO -0.09 -0.66 0.00 1.37 -0.67 0.00 0.00 178.83 178.78 2dnx h LEU 40 N -1.08 0.00 -3.22 1.46 8.10 -0.47 -2.09 115.31 118.01 2dnx h LEU 40 Ca -0.11 0.00 -0.28 0.00 0.11 0.00 0.00 57.88 57.61 2dnx h LEU 40 Cb 0.79 0.00 -0.14 0.00 -0.44 0.00 0.00 40.66 40.87 2dnx h LEU 40 CO 0.17 0.00 0.36 0.61 -4.11 0.00 0.00 178.44 175.47 2dnx n GLY 41 N -0.90 3.66 2.25 0.17 0.00 0.49 -4.43 105.19 106.43 2dnx n GLY 41 Ca -0.01 -0.82 -0.25 0.00 0.00 0.00 0.00 46.02 44.95 2dnx n GLY 41 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2dnx n THR 42 N 0.13 -0.08 -1.41 2.61 -1.04 -0.79 -4.94 114.28 108.76 2dnx n THR 42 Ca 0.28 -4.24 0.00 0.00 -2.04 0.00 0.00 64.05 58.05 2dnx n THR 42 Cb 0.77 -1.98 0.00 0.00 -1.82 0.00 0.00 70.33 67.30 2dnx n THR 42 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2dnx n LYS 43 N 1.37 -3.91 -1.42 -2.82 4.01 -1.26 -4.67 118.16 109.46 2dnx n LYS 43 Ca 0.23 2.82 -0.61 0.00 -0.51 0.00 0.00 58.31 60.24 2dnx n LYS 43 Cb 0.50 -3.10 -0.11 0.00 -0.51 0.00 0.00 35.03 31.82 2dnx n LYS 43 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 2dnx n GLN 44 N 0.34 0.00 0.00 1.97 6.02 -1.26 -4.78 117.38 119.66 2dnx n GLN 44 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2dnx n GLN 44 Cb 0.00 -1.44 0.00 0.00 1.02 0.00 0.00 30.24 29.82 2dnx n GLN 44 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 2dnx n ASP 45 N 5.69 0.00 -1.58 1.08 8.00 -1.26 -5.12 116.55 123.36 2dnx n ASP 45 Ca 0.42 0.00 -0.00 0.00 0.71 0.00 0.00 54.79 55.92 2dnx n ASP 45 Cb -0.05 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.05 2dnx n ASP 45 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2dnx n SER 46 N 0.00 -2.37 0.09 -2.24 7.64 -1.26 -4.73 113.62 110.75 2dnx n SER 46 Ca 0.00 0.06 0.12 0.00 1.01 0.00 0.00 58.87 60.06 2dnx n SER 46 Cb 0.00 -1.27 0.12 0.00 -1.01 0.00 0.00 64.21 62.05 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 0.15 0.00 0.32 6.43 0.02 -2.00 -3.27 113.55 115.19 2dnx h SER 47 Ca 0.00 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 2dnx h SER 47 Cb 0.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.58 2dnx h SER 47 CO 0.01 0.06 0.00 0.50 -1.14 0.00 0.00 176.83 176.26 2dnx h LYS 48 N 0.00 0.00 0.00 3.45 3.11 -2.00 -2.60 116.57 118.54 2dnx h LYS 48 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 2dnx h LYS 48 Cb 0.84 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.07 2dnx h LYS 48 CO 0.00 0.00 -0.36 -0.07 -2.81 0.00 0.00 179.45 176.21 2dnx h LEU 49 N 0.00 0.00 -1.15 5.20 3.38 -1.95 -2.75 115.31 118.04 2dnx h LEU 49 Ca 0.00 0.00 0.40 0.00 0.09 0.00 0.00 57.88 58.37 2dnx h LEU 49 Cb 0.16 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.79 2dnx h LEU 49 CO 0.00 0.61 0.74 0.00 0.09 0.00 0.00 178.44 179.88 2dnx n GLN 50 N -4.31 -0.03 -0.01 1.13 6.02 -1.15 0.20 117.38 119.23 2dnx n GLN 50 Ca -0.05 1.05 -0.18 0.00 -0.01 0.00 0.00 57.00 57.81 2dnx n GLN 50 Cb 0.19 -2.07 -0.14 0.00 1.02 0.00 0.00 30.24 29.24 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 0.15 -0.98 -1.09 5.08 -1.62 -3.21 114.58 112.91 2dnx h GLU 51 Ca 0.74 -0.26 0.12 0.00 -1.00 0.00 0.00 59.36 58.96 2dnx h GLU 51 Cb 2.37 0.10 -0.08 0.00 0.50 0.00 0.00 28.75 31.64 2dnx h GLU 51 CO -0.39 1.13 0.62 -0.97 -1.00 0.00 0.00 179.01 178.39 2dnx h ASN 52 N -0.66 0.88 0.14 1.42 -1.24 0.25 -1.07 115.58 115.32 2dnx h ASN 52 Ca -0.13 0.04 -0.00 0.00 0.71 0.00 0.00 56.30 56.92 2dnx h ASN 52 Cb 1.38 -0.13 -0.00 0.00 0.73 0.00 0.00 38.32 40.30 2dnx h ASN 52 CO 0.05 0.47 -0.13 -0.07 -1.29 0.00 0.00 177.43 176.47 2dnx h LEU 53 N 0.95 -0.35 -0.51 0.34 3.38 0.29 0.27 115.31 119.67 2dnx h LEU 53 Ca 0.48 0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.53 2dnx h LEU 53 Cb 0.51 0.11 -0.08 0.00 0.09 0.00 0.00 40.66 41.29 2dnx h LEU 53 CO -0.25 -0.18 -0.49 1.56 0.09 0.00 0.00 178.44 179.18 2dnx h GLN 54 N -0.27 -0.22 -0.72 1.13 4.20 -1.47 0.86 115.11 118.62 2dnx h GLN 54 Ca -0.02 0.02 0.14 0.00 0.06 0.00 0.00 58.65 58.85 2dnx h GLN 54 Cb 0.23 0.05 -0.14 0.00 0.30 0.00 0.00 27.48 27.92 2dnx h GLN 54 CO -0.01 -0.15 -0.20 1.96 -0.67 0.00 0.00 178.83 179.76 2dnx h GLN 55 N -0.23 -0.02 -0.68 1.46 1.08 -1.14 0.63 115.11 116.20 2dnx h GLN 55 Ca 0.09 0.00 0.01 0.00 -1.45 0.00 0.00 58.65 57.29 2dnx h GLN 55 Cb 0.46 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.86 2dnx h GLN 55 CO -0.61 -0.01 0.45 -0.07 -0.95 0.00 0.00 178.83 177.64 2dnx h LEU 56 N -0.02 0.79 0.25 1.46 3.38 0.20 -0.59 115.31 120.78 2dnx h LEU 56 Ca 0.34 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.27 2dnx h LEU 56 Cb 0.54 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2dnx h LEU 56 CO -0.75 0.58 -0.14 1.56 0.09 0.00 0.00 178.44 179.77 2dnx h GLN 57 N 0.93 -0.35 -0.79 1.13 4.20 0.58 -1.98 115.11 118.82 2dnx h GLN 57 Ca 0.25 0.02 0.13 0.00 0.06 0.00 0.00 58.65 59.12 2dnx h GLN 57 Cb -0.10 0.08 -0.14 0.00 0.30 0.00 0.00 27.48 27.62 2dnx h GLN 57 CO -0.05 -0.24 -0.34 1.25 -0.67 0.00 0.00 178.83 178.78 2dnx h HIS 58 N -0.37 -0.93 -0.80 2.96 2.76 -0.21 0.40 115.15 118.96 2dnx h HIS 58 Ca -0.03 0.09 0.14 0.00 -2.20 0.00 0.00 60.37 58.36 2dnx h HIS 58 Cb 0.29 0.52 -0.14 0.00 1.55 0.00 0.00 27.41 29.63 2dnx h HIS 58 CO 0.08 -0.39 -0.34 0.77 -1.30 0.00 0.00 177.93 176.75 2dnx h SER 59 N -0.07 -1.22 -0.68 3.26 0.02 -0.99 0.66 113.55 114.53 2dnx h SER 59 Ca 0.30 0.27 -0.06 0.00 -0.84 0.00 0.00 61.79 61.47 2dnx h SER 59 Cb 0.58 0.65 -0.03 0.00 0.14 0.00 0.00 62.40 63.73 2dnx h SER 59 CO -0.84 -0.29 0.21 0.74 -1.14 0.00 0.00 176.83 175.51 2dnx h THR 60 N -0.07 1.25 -0.23 -2.27 2.02 0.39 -1.14 112.91 112.86 2dnx h THR 60 Ca 0.31 -0.88 0.04 0.00 0.77 0.00 0.00 66.41 66.65 2dnx h THR 60 Cb 0.58 0.49 -0.07 0.00 -1.74 0.00 0.00 68.15 67.41 2dnx h THR 60 CO -0.84 0.34 -0.51 -1.13 0.37 0.00 0.00 175.52 173.75 2dnx h ASN 61 N 1.04 -1.66 0.47 4.18 -1.24 0.37 0.15 115.58 118.89 2dnx h ASN 61 Ca 0.23 0.21 -0.02 0.00 0.71 0.00 0.00 56.30 57.42 2dnx h ASN 61 Cb 0.30 0.67 0.00 0.00 0.73 0.00 0.00 38.32 40.02 2dnx h ASN 61 CO -0.01 -0.44 -0.23 1.56 -1.29 0.00 0.00 177.43 177.02 2dnx h GLN 62 N -0.50 -0.61 -0.92 6.67 1.08 -1.04 -1.19 115.11 118.59 2dnx h GLN 62 Ca 0.06 0.04 0.31 0.00 -1.45 0.00 0.00 58.65 57.62 2dnx h GLN 62 Cb 0.64 0.14 -0.17 0.00 -0.05 0.00 0.00 27.48 28.04 2dnx h GLN 62 CO -0.49 -0.37 0.22 1.28 -0.95 0.00 0.00 178.83 178.52 2dnx n LEU 63 N -5.33 0.07 0.04 1.46 4.77 -0.44 0.15 117.00 117.72 2dnx n LEU 63 Ca -0.11 1.55 -0.13 0.00 -0.03 0.00 0.00 56.01 57.29 2dnx n LEU 63 Cb 0.28 -0.65 -0.09 0.00 -2.33 0.00 0.00 43.42 40.64 2dnx n LEU 63 CO 0.35 -1.64 0.60 0.00 -1.33 0.00 0.00 177.39 175.37 2dnx h ALA 64 N 1.85 -0.13 -1.34 -1.18 0.00 -0.32 -0.68 119.26 117.45 2dnx h ALA 64 Ca 0.65 -0.21 0.39 0.00 0.00 0.00 0.00 54.91 55.74 2dnx h ALA 64 Cb 1.54 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 19.33 2dnx h ALA 64 CO -0.80 -0.36 0.98 0.87 0.00 0.00 0.00 179.25 179.95 2dnx h LYS 65 N -0.57 0.00 0.00 0.00 1.57 0.26 0.21 116.57 118.04 2dnx h LYS 65 Ca -0.01 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 2dnx h LYS 65 Cb 0.46 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.77 2dnx h LYS 65 CO 0.02 0.00 -0.16 0.93 -0.57 0.00 0.00 179.45 179.67 2dnx h GLU 66 N 0.00 0.00 -0.86 3.15 4.39 -0.41 -3.04 114.58 117.81 2dnx h GLU 66 Ca 0.64 0.00 0.21 0.00 0.34 0.00 0.00 59.36 60.55 2dnx h GLU 66 Cb 2.60 0.00 -0.15 0.00 -0.10 0.00 0.00 28.75 31.10 2dnx h GLU 66 CO -0.01 0.66 0.01 1.15 -1.16 0.00 0.00 179.01 179.66 2dnx h THR 67 N -1.00 0.21 -0.13 1.13 2.02 0.90 1.01 112.91 117.05 2dnx h THR 67 Ca -0.04 -0.03 -0.00 0.00 0.77 0.00 0.00 66.41 67.11 2dnx h THR 67 Cb 0.72 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 2dnx h THR 67 CO -0.02 0.01 0.07 -1.13 0.37 0.00 0.00 175.52 174.82 2dnx h ASN 68 N 0.08 0.16 -0.93 4.18 -0.00 -1.21 0.87 115.58 118.73 2dnx h ASN 68 Ca 0.49 -0.09 0.03 0.00 -0.00 0.00 0.00 56.30 56.74 2dnx h ASN 68 Cb 0.92 -0.04 -0.05 0.00 -0.00 0.00 0.00 38.32 39.14 2dnx h ASN 68 CO -0.77 0.20 0.60 -0.33 -0.00 0.00 0.00 177.43 177.13 2dnx h GLU 69 N 0.11 1.14 -0.01 6.67 5.08 0.03 -1.30 114.58 126.29 2dnx h GLU 69 Ca 0.05 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 2dnx h GLU 69 Cb 0.08 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 29.07 2dnx h GLU 69 CO -0.01 0.75 -0.01 -0.07 -1.00 0.00 0.00 179.01 178.67 2dnx h LEU 70 N 1.17 0.03 -1.84 1.33 3.38 0.12 -1.21 115.31 118.29 2dnx h LEU 70 Ca 0.37 -0.47 0.04 0.00 0.09 0.00 0.00 57.88 57.91 2dnx h LEU 70 Cb -0.00 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2dnx h LEU 70 CO -0.12 0.50 0.43 -0.07 0.09 0.00 0.00 178.44 179.27 2dnx h LEU 71 N -0.43 0.00 0.06 1.67 3.38 0.12 0.95 115.31 121.06 2dnx h LEU 71 Ca 0.00 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.77 2dnx h LEU 71 Cb 0.49 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 2dnx h LEU 71 CO 0.00 0.00 -1.07 0.11 0.09 0.00 0.00 178.44 177.57 2dnx h LYS 72 N 0.00 0.13 0.00 1.13 1.57 -0.84 -3.27 116.57 115.30 2dnx h LYS 72 Ca 0.07 -0.23 -0.04 0.00 -1.87 0.00 0.00 60.65 58.58 2dnx h LYS 72 Cb 0.92 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.31 2dnx h LYS 72 CO -0.00 1.11 -0.17 1.05 -0.57 0.00 0.00 179.45 180.87 2dnx h GLU 73 N -0.63 0.00 0.00 3.15 4.11 0.76 -2.40 114.58 119.57 2dnx h GLU 73 Ca -0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.18 2dnx h GLU 73 Cb 1.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.74 2dnx h GLU 73 CO -0.02 0.17 0.00 -0.11 0.07 0.00 0.00 179.01 179.12 2dnx n LEU 74 N -3.60 0.00 -0.22 3.06 0.00 0.29 -2.40 117.00 114.13 2dnx n LEU 74 Ca -0.01 0.92 0.28 0.00 0.00 0.00 0.00 56.01 57.20 2dnx n LEU 74 Cb 0.30 -0.50 0.69 0.00 0.00 0.00 0.00 43.42 43.91 2dnx n LEU 74 CO 0.31 -0.50 1.26 1.23 0.00 0.00 0.00 177.39 179.70 2dnx h GLY 75 N 0.00 0.21 0.67 -3.96 0.00 -1.60 0.27 103.07 98.66 2dnx h GLY 75 Ca 0.00 -0.04 0.06 0.00 0.00 0.00 0.00 47.33 47.35 2dnx h GLY 75 CO 0.00 -0.01 0.42 0.23 0.00 0.00 0.00 176.54 177.18 2dnx h SER 76 N 0.08 0.63 -2.48 0.19 0.87 -1.29 -3.43 113.55 108.12 2dnx h SER 76 Ca 0.47 0.03 -0.56 0.00 -1.23 0.00 0.00 61.79 60.50 2dnx h SER 76 Cb 1.72 -0.10 0.22 0.00 -0.44 0.00 0.00 62.40 63.80 2dnx h SER 76 CO -0.05 0.40 -1.24 0.18 -0.53 0.00 0.00 176.83 175.60 2dnx n LEU 77 N -4.74 -3.31 0.00 2.23 4.77 0.95 -4.96 117.00 111.94 2dnx n LEU 77 Ca 0.10 0.37 -0.08 0.00 -0.03 0.00 0.00 56.01 56.37 2dnx n LEU 77 Cb 0.18 -0.94 0.06 0.00 -2.33 0.00 0.00 43.42 40.39 2dnx n LEU 77 CO 0.29 -4.85 0.20 -0.81 -1.33 0.00 0.00 177.39 170.89 2dnx n PRO 78 N 0.96 -0.96 -4.54 3.23 -0.04 -1.26 -5.05 135.00 127.33 2dnx n PRO 78 Ca 0.04 -0.51 -0.28 0.00 -0.04 0.00 0.00 63.50 62.70 2dnx n PRO 78 Cb 0.53 -0.40 -0.14 0.00 -0.04 0.00 0.00 33.50 33.45 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 2.26 0.35 1.53 1.43 -1.26 -5.09 118.68 117.89 2dnx s LEU 79 Ca 0.20 -0.67 -0.26 0.00 -1.03 0.00 0.00 54.13 52.36 2dnx s LEU 79 Cb -0.01 -1.17 -0.09 0.00 0.03 0.00 0.00 46.19 44.95 2dnx s LEU 79 CO 0.14 0.18 1.06 -2.16 0.23 0.00 0.00 176.35 175.81 2dnx s PRO 80 N -1.72 4.38 0.59 1.29 0.04 -1.26 -4.90 135.00 133.42 2dnx s PRO 80 Ca 0.12 1.63 0.29 0.00 0.04 0.00 0.00 61.00 63.07 2dnx s PRO 80 Cb -0.10 -2.83 1.43 0.00 0.04 0.00 0.00 34.50 33.05 2dnx s PRO 80 CO 0.04 0.02 1.84 -0.07 0.04 0.00 0.00 177.00 178.87 2dnx h LEU 81 N 3.08 0.00 -9.50 -3.56 -0.00 -2.01 -3.39 115.31 99.94 2dnx h LEU 81 Ca -0.48 0.00 -0.56 0.00 -0.00 0.00 0.00 57.88 56.85 2dnx h LEU 81 Cb 1.21 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 41.83 2dnx h LEU 81 CO 0.64 0.00 0.07 -0.44 -0.00 0.00 0.00 178.44 178.72 2dnx s SER 82 N -5.06 7.07 0.20 -0.43 0.01 -1.26 -4.96 113.70 109.27 2dnx s SER 82 Ca -0.04 1.28 0.02 0.00 1.31 0.00 0.00 55.95 58.52 2dnx s SER 82 Cb 0.16 -2.41 0.13 0.00 0.21 0.00 0.00 66.02 64.10 2dnx s SER 82 CO 0.56 0.02 1.48 0.74 0.41 0.00 0.00 173.24 176.45 2dnx h THR 83 N 4.25 1.41 -0.88 1.44 2.02 -2.00 -2.95 112.91 116.20 2dnx h THR 83 Ca -0.44 -2.20 0.09 0.00 0.77 0.00 0.00 66.41 64.63 2dnx h THR 83 Cb 1.20 2.16 -0.07 0.00 -1.74 0.00 0.00 68.15 69.70 2dnx h THR 83 CO 0.71 0.65 0.53 -1.28 0.37 0.00 0.00 175.52 176.50 2dnx h SER 84 N 0.18 0.78 0.75 4.18 0.87 -1.93 0.15 113.55 118.54 2dnx h SER 84 Ca -0.02 0.04 -0.10 0.00 -1.23 0.00 0.00 61.79 60.48 2dnx h SER 84 Cb 1.27 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 63.10 2dnx h SER 84 CO 0.11 0.45 -0.46 -0.33 -0.53 0.00 0.00 176.83 176.07 2dnx h GLU 85 N 0.89 0.00 0.58 2.24 5.08 -1.90 -2.54 114.58 118.94 2dnx h GLU 85 Ca 0.42 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.75 2dnx h GLU 85 Cb 0.34 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.60 2dnx h GLU 85 CO -0.23 0.46 -0.28 1.96 -1.00 0.00 0.00 179.01 179.92 2dnx h GLN 86 N 0.00 -0.75 0.00 2.33 4.20 -0.61 0.88 115.11 121.16 2dnx h GLN 86 Ca -0.00 0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.76 2dnx h GLN 86 Cb 0.97 0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.92 2dnx h GLN 86 CO 0.06 -0.50 0.08 0.07 -0.67 0.00 0.00 178.83 177.87 2dnx h ARG 87 N -1.07 0.00 0.06 1.46 0.11 -1.16 0.99 114.38 114.78 2dnx h ARG 87 Ca -0.08 0.00 -0.32 0.00 0.10 0.00 0.00 59.98 59.68 2dnx h ARG 87 Cb 0.60 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.65 2dnx h ARG 87 CO 0.13 0.00 -1.76 0.37 0.10 0.00 0.00 179.97 178.81 2dnx h GLN 88 N 0.00 0.13 -0.52 0.08 4.15 -1.24 -3.13 115.11 114.58 2dnx h GLN 88 Ca 0.00 -0.23 -0.12 0.00 0.77 0.00 0.00 58.65 59.07 2dnx h GLN 88 Cb 0.17 0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.93 2dnx h GLN 88 CO 0.00 0.86 -0.16 1.96 -1.93 0.00 0.00 178.83 179.56 2dnx h GLN 89 N 0.04 1.03 -0.32 1.69 4.20 0.32 -2.94 115.11 119.12 2dnx h GLN 89 Ca -0.32 -0.41 -0.07 0.00 0.06 0.00 0.00 58.65 57.92 2dnx h GLN 89 Cb 2.02 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 29.73 2dnx h GLN 89 CO 0.10 1.09 -0.07 0.07 -0.67 0.00 0.00 178.83 179.35 2dnx h ARG 90 N 0.90 0.61 -0.05 1.46 0.11 -1.28 -2.96 114.38 113.17 2dnx h ARG 90 Ca 0.13 -0.23 0.01 0.00 0.10 0.00 0.00 59.98 59.99 2dnx h ARG 90 Cb 0.73 -0.04 -0.01 0.00 1.11 0.00 0.00 29.97 31.76 2dnx h ARG 90 CO 0.06 0.78 -0.10 -0.07 0.10 0.00 0.00 179.97 180.75 2dnx h LEU 91 N 0.38 -0.31 -0.97 0.08 3.38 -1.47 1.30 115.31 117.69 2dnx h LEU 91 Ca 0.08 0.04 0.12 0.00 0.09 0.00 0.00 57.88 58.21 2dnx h LEU 91 Cb 0.56 0.13 -0.14 0.00 0.09 0.00 0.00 40.66 41.29 2dnx h LEU 91 CO 0.03 -0.08 -0.48 1.56 0.09 0.00 0.00 178.44 179.57 2dnx h GLN 92 N -0.08 -0.02 0.19 1.13 1.08 -1.58 0.69 115.11 116.53 2dnx h GLN 92 Ca 0.01 0.00 0.01 0.00 -1.45 0.00 0.00 58.65 57.22 2dnx h GLN 92 Cb 0.11 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.51 2dnx h GLN 92 CO -0.09 -0.01 -0.37 -0.22 -0.95 0.00 0.00 178.83 177.19 2dnx h LYS 93 N -0.02 -0.62 -0.56 1.46 3.64 -1.17 0.66 116.57 119.97 2dnx h LYS 93 Ca 0.26 0.04 0.11 0.00 -1.27 0.00 0.00 60.65 59.79 2dnx h LYS 93 Cb 0.52 0.14 -0.11 0.00 -0.41 0.00 0.00 32.23 32.37 2dnx h LYS 93 CO -0.95 -0.41 -0.25 0.93 -2.27 0.00 0.00 179.45 176.50 2dnx h GLU 94 N -0.64 -0.11 -0.76 1.90 4.39 0.47 1.49 114.58 121.32 2dnx h GLU 94 Ca 0.01 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.70 2dnx h GLU 94 Cb 0.64 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.28 2dnx h GLU 94 CO -0.17 -0.07 0.40 0.00 -1.16 0.00 0.00 179.01 178.01 2dnx h ARG 95 N -0.11 1.07 -0.28 2.33 3.08 0.83 -0.41 114.38 120.89 2dnx h ARG 95 Ca 0.25 -0.13 -0.11 0.00 0.07 0.00 0.00 59.98 60.06 2dnx h ARG 95 Cb 0.51 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 2dnx h ARG 95 CO -0.63 0.80 -0.28 -0.07 -1.07 0.00 0.00 179.97 178.71 2dnx h LEU 96 N 1.07 0.59 -1.10 3.04 3.38 0.40 0.92 115.31 123.61 2dnx h LEU 96 Ca 0.27 -0.22 -0.09 0.00 0.09 0.00 0.00 57.88 57.93 2dnx h LEU 96 Cb 0.05 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 2dnx h LEU 96 CO -0.04 0.85 -0.44 0.24 0.09 0.00 0.00 178.44 179.13 2dnx h MET 97 N 0.50 0.00 0.10 1.13 2.86 0.28 0.97 114.93 120.77 2dnx h MET 97 Ca 0.07 0.00 -0.29 0.00 -2.06 0.00 0.00 59.70 57.42 2dnx h MET 97 Cb 0.74 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.39 2dnx h MET 97 CO 0.06 0.44 -1.50 -0.91 1.06 0.00 0.00 176.91 176.06 2dnx h ASN 98 N 0.00 0.32 -0.21 1.22 2.35 -0.67 -3.18 115.58 115.41 2dnx h ASN 98 Ca -0.00 -0.82 0.01 0.00 -0.55 0.00 0.00 56.30 54.93 2dnx h ASN 98 Cb 0.80 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 39.05 2dnx h ASN 98 CO 0.06 1.65 0.11 0.44 -1.65 0.00 0.00 177.43 178.03 2dnx h ASP 99 N -0.34 0.17 -0.72 5.81 5.19 0.89 -0.98 116.42 126.45 2dnx h ASP 99 Ca -0.33 0.00 0.06 0.00 -0.62 0.00 0.00 57.03 56.14 2dnx h ASP 99 Cb 1.74 -0.03 -0.04 0.00 0.18 0.00 0.00 39.33 41.18 2dnx h ASP 99 CO 0.02 0.13 0.47 0.15 -3.12 0.00 0.00 179.24 176.89 2dnx h PHE 100 N 0.23 0.75 0.61 4.55 3.57 -0.96 -1.97 116.94 123.73 2dnx h PHE 100 Ca 0.08 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.57 2dnx h PHE 100 Cb 0.01 -0.25 0.01 0.00 2.79 0.00 0.00 35.95 38.50 2dnx h PHE 100 CO -0.09 0.40 -0.29 1.03 -2.23 0.00 0.00 178.31 177.13 2dnx h SER 101 N 0.75 -0.69 -1.00 0.41 0.87 -1.31 0.43 113.55 113.00 2dnx h SER 101 Ca 0.31 -0.03 0.29 0.00 -1.23 0.00 0.00 61.79 61.13 2dnx h SER 101 Cb 0.26 0.18 -0.14 0.00 -0.44 0.00 0.00 62.40 62.26 2dnx h SER 101 CO -0.10 -0.36 0.57 0.00 -0.53 0.00 0.00 176.83 176.41 2dnx h ALA 102 N -0.80 1.87 -0.11 6.23 0.00 -0.84 1.43 119.26 127.03 2dnx h ALA 102 Ca -0.08 0.17 -0.20 0.00 0.00 0.00 0.00 54.91 54.79 2dnx h ALA 102 Cb 0.68 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2dnx h ALA 102 CO 0.14 -0.46 -0.75 0.00 0.00 0.00 0.00 179.25 178.18 2dnx h ALA 103 N 1.80 0.47 0.73 0.00 0.00 -1.12 -2.73 119.26 118.41 2dnx h ALA 103 Ca 0.70 -0.60 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 2dnx h ALA 103 Cb 1.49 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.25 2dnx h ALA 103 CO -0.56 0.73 -0.35 1.25 0.00 0.00 0.00 179.25 180.32 2dnx h LEU 104 N 0.40 -0.83 -1.11 0.00 5.85 0.61 -2.52 115.31 117.71 2dnx h LEU 104 Ca -0.04 0.03 0.34 0.00 0.84 0.00 0.00 57.88 59.05 2dnx h LEU 104 Cb 1.35 0.21 -0.14 0.00 0.37 0.00 0.00 40.66 42.45 2dnx h LEU 104 CO 0.14 -0.47 0.63 -1.13 -0.34 0.00 0.00 178.44 177.27 2dnx h ASN 105 N -1.22 0.46 0.31 1.25 -0.73 0.95 0.49 115.58 117.09 2dnx h ASN 105 Ca -0.10 0.17 0.00 0.00 1.87 0.00 0.00 56.30 58.24 2dnx h ASN 105 Cb 0.75 0.13 -0.02 0.00 0.27 0.00 0.00 38.32 39.44 2dnx h ASN 105 CO 0.16 -0.13 -0.32 -1.13 -0.37 0.00 0.00 177.43 175.64 2dnx h ASN 106 N 0.28 -0.86 -0.47 1.15 -0.73 -1.25 0.23 115.58 113.92 2dnx h ASN 106 Ca 0.74 0.08 0.08 0.00 1.87 0.00 0.00 56.30 59.07 2dnx h ASN 106 Cb 1.83 0.30 -0.07 0.00 0.27 0.00 0.00 38.32 40.65 2dnx h ASN 106 CO -0.55 -0.45 0.09 0.15 -0.37 0.00 0.00 177.43 176.30 2dnx h PHE 107 N -0.66 0.15 0.64 0.67 3.57 0.34 -0.08 116.94 121.57 2dnx h PHE 107 Ca -0.01 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 2dnx h PHE 107 Cb 0.61 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.34 2dnx h PHE 107 CO -0.20 -0.00 -0.50 1.96 -2.23 0.00 0.00 178.31 177.35 2dnx h GLN 108 N 0.23 -1.06 -0.05 1.11 4.20 -0.72 1.01 115.11 119.83 2dnx h GLN 108 Ca 0.23 0.07 0.01 0.00 0.06 0.00 0.00 58.65 59.03 2dnx h GLN 108 Cb 0.30 0.24 -0.00 0.00 0.30 0.00 0.00 27.48 28.32 2dnx h GLN 108 CO -0.31 -0.71 0.35 0.00 -0.67 0.00 0.00 178.83 177.50 2dnx h ALA 109 N -0.98 1.43 0.00 3.87 0.00 -0.22 1.19 119.26 124.55 2dnx h ALA 109 Ca -0.08 -0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.54 2dnx h ALA 109 Cb 0.92 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.66 2dnx h ALA 109 CO 0.02 -0.37 -1.65 0.28 0.00 0.00 0.00 179.25 177.52 2dnx h VAL 110 N 0.00 0.91 -0.13 0.00 2.07 0.97 -2.95 116.25 117.12 2dnx h VAL 110 Ca 0.02 -2.76 -0.16 0.00 0.82 0.00 0.00 66.70 64.63 2dnx h VAL 110 Cb 0.72 2.46 -0.01 0.00 -1.52 0.00 0.00 31.29 32.94 2dnx h VAL 110 CO -0.00 0.53 -0.60 0.06 0.02 0.00 0.00 177.57 177.58 2dnx h GLN 111 N 0.00 0.43 0.03 1.57 3.07 0.93 -0.40 115.11 120.75 2dnx h GLN 111 Ca -0.26 -0.29 -0.23 0.00 0.09 0.00 0.00 58.65 57.96 2dnx h GLN 111 Cb 1.99 0.04 -0.00 0.00 0.08 0.00 0.00 27.48 29.59 2dnx h GLN 111 CO 0.08 0.90 -0.99 0.07 0.09 0.00 0.00 178.83 178.98 2dnx h ARG 112 N 0.32 0.26 -0.02 0.06 -0.00 -0.95 -2.74 114.38 111.31 2dnx h ARG 112 Ca -0.00 -0.33 -0.15 0.00 -0.00 0.00 0.00 59.98 59.50 2dnx h ARG 112 Cb 1.13 0.10 -0.02 0.00 -0.00 0.00 0.00 29.97 31.19 2dnx h ARG 112 CO 0.10 1.06 -0.69 0.00 -0.00 0.00 0.00 179.97 180.45 2dnx h ARG 113 N 0.13 0.11 -0.41 0.08 3.08 -1.43 -2.46 114.38 113.48 2dnx h ARG 113 Ca -0.07 -0.09 -0.15 0.00 0.07 0.00 0.00 59.98 59.74 2dnx h ARG 113 Cb 1.66 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.72 2dnx h ARG 113 CO 0.16 0.75 -0.33 0.28 -1.07 0.00 0.00 179.97 179.76 2dnx h VAL 114 N 0.07 1.27 -0.20 2.04 2.07 -1.06 -1.93 116.25 118.52 2dnx h VAL 114 Ca -0.01 -1.50 -0.01 0.00 0.82 0.00 0.00 66.70 65.99 2dnx h VAL 114 Cb 1.22 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 32.29 2dnx h VAL 114 CO 0.10 0.51 0.08 -1.28 0.02 0.00 0.00 177.57 177.00 2dnx h SER 115 N 0.78 0.27 0.06 0.57 0.87 -1.39 -0.22 113.55 114.49 2dnx h SER 115 Ca 0.07 -0.15 -0.01 0.00 -1.23 0.00 0.00 61.79 60.47 2dnx h SER 115 Cb 0.92 -0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 62.81 2dnx h SER 115 CO 0.09 0.35 -0.04 -0.33 -0.53 0.00 0.00 176.83 176.37 2dnx h GLU 116 N 0.18 0.00 -0.02 2.24 5.08 -1.37 0.57 114.58 121.25 2dnx h GLU 116 Ca 0.07 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.19 2dnx h GLU 116 Cb 0.16 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.42 2dnx h GLU 116 CO -0.01 0.04 -0.95 -0.22 -1.00 0.00 0.00 179.01 176.88 2dnx h LYS 117 N 0.00 0.54 0.00 2.33 1.63 -0.61 -1.78 116.57 118.68 2dnx h LYS 117 Ca -0.00 -0.56 0.00 0.00 -0.85 0.00 0.00 60.65 59.24 2dnx h LYS 117 Cb 0.08 0.15 0.00 0.00 -0.60 0.00 0.00 32.23 31.87 2dnx h LYS 117 CO 0.01 1.18 -0.17 0.39 -3.45 0.00 0.00 179.45 177.41 2dnx n GLU 118 N -3.80 0.20 0.02 1.90 -0.58 -0.16 -2.99 120.64 115.22 2dnx n GLU 118 Ca -0.08 0.13 -0.05 0.00 -0.42 0.00 0.00 57.16 56.74 2dnx n GLU 118 Cb 0.84 -1.70 -0.11 0.00 -0.57 0.00 0.00 31.44 29.90 2dnx n GLU 118 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 2dnx h LYS 119 N 0.00 0.00 -0.02 3.49 1.57 0.19 -3.28 116.57 118.52 2dnx h LYS 119 Ca 0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 2dnx h LYS 119 Cb 0.68 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.99 2dnx h LYS 119 CO 0.00 0.53 -0.06 0.93 -0.57 0.00 0.00 179.45 180.28 2dnx h GLU 120 N 0.00 0.07 0.01 3.15 5.08 -1.30 -0.86 114.58 120.74 2dnx h GLU 120 Ca -0.19 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.13 2dnx h GLU 120 Cb 1.82 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 31.05 2dnx h GLU 120 CO 0.08 0.69 -0.32 1.03 -1.00 0.00 0.00 179.01 179.49 2dnx h SER 121 N -0.53 -0.99 0.16 1.42 0.87 -1.69 -3.14 113.55 109.65 2dnx h SER 121 Ca -0.00 0.11 -0.01 0.00 -1.23 0.00 0.00 61.79 60.66 2dnx h SER 121 Cb 0.69 0.37 -0.00 0.00 -0.44 0.00 0.00 62.40 63.02 2dnx h SER 121 CO 0.01 -0.32 -0.12 0.40 -0.53 0.00 0.00 176.83 176.28 2dnx h ILE 122 N -0.41 0.00 -3.11 2.23 2.04 -1.68 -3.49 117.51 113.09 2dnx h ILE 122 Ca 0.00 0.00 0.33 0.00 1.00 0.00 0.00 64.86 66.19 2dnx h ILE 122 Cb 0.44 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.36 2dnx h ILE 122 CO -0.21 0.00 -0.98 0.00 0.00 0.00 0.00 178.15 176.97 2dnx n ALA 123 N -2.31 -3.43 -2.33 1.87 0.00 -0.33 -4.67 120.51 109.32 2dnx n ALA 123 Ca -0.03 0.74 -0.43 0.00 0.00 0.00 0.00 53.44 53.72 2dnx n ALA 123 Cb 0.11 -1.37 -0.02 0.00 0.00 0.00 0.00 19.45 18.17 2dnx n ALA 123 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2dnx s ARG 124 N -3.62 4.25 0.17 0.00 0.52 -1.26 -4.76 118.95 114.25 2dnx s ARG 124 Ca 0.00 1.80 0.00 0.00 -0.52 0.00 0.00 55.73 57.01 2dnx s ARG 124 Cb 0.00 -3.74 0.00 0.00 0.52 0.00 0.00 34.95 31.73 2dnx s ARG 124 CO 0.00 -0.67 0.00 0.43 0.02 0.00 0.00 175.30 175.08 2dnx n SER 125 N 6.31 -0.24 0.00 0.23 7.64 -1.26 -5.18 113.62 121.12 2dnx n SER 125 Ca 0.14 0.30 0.00 0.00 1.01 0.00 0.00 58.87 60.32 2dnx n SER 125 Cb 0.44 0.37 0.00 0.00 -1.01 0.00 0.00 64.21 64.01 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 1.33 0.97 3.62 0.23 0.00 -1.26 -5.10 105.19 104.98 2dnx n GLY 126 Ca 0.00 -1.15 -0.43 0.00 0.00 0.00 0.00 46.02 44.44 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 3.80 0.26 1.61 0.04 -1.26 -5.01 135.00 132.44 2dnx s PRO 127 Ca 0.00 1.18 0.07 0.00 0.04 0.00 0.00 61.00 62.30 2dnx s PRO 127 Cb 0.00 -3.94 -0.04 0.00 0.04 0.00 0.00 34.50 30.57 2dnx s PRO 127 CO 0.00 -1.27 0.18 0.45 0.04 0.00 0.00 177.00 176.40 2dnx s SER 128 N 3.27 5.39 0.06 6.66 0.15 -1.26 -5.13 113.70 122.84 2dnx s SER 128 Ca 0.59 -0.31 -0.27 0.00 0.70 0.00 0.00 55.95 56.66 2dnx s SER 128 Cb -0.16 -1.31 0.08 0.00 -1.71 0.00 0.00 66.02 62.91 2dnx s SER 128 CO 0.27 -0.06 0.69 -0.44 1.20 0.00 0.00 173.24 174.90 2dnx s SER 129 N -3.83 -0.55 0.00 5.45 0.01 -1.26 -5.30 113.70 108.22 2dnx s SER 129 Ca 0.33 0.23 0.00 0.00 1.31 0.00 0.00 55.95 57.82 2dnx s SER 129 Cb -0.08 0.53 0.00 0.00 0.21 0.00 0.00 66.02 66.69 2dnx s SER 129 CO 0.24 -0.78 0.00 0.61 0.41 0.00 0.00 173.24 173.73