#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 5.35 -0.43 1.61 1.04 -1.26 -5.09 113.70 114.92 2dnx s SER 2 Ca 0.00 -0.35 -0.17 0.00 0.48 0.00 0.00 55.95 55.91 2dnx s SER 2 Cb 0.00 -1.26 0.03 0.00 0.10 0.00 0.00 66.02 64.89 2dnx s SER 2 CO 0.00 -0.08 0.44 -0.55 0.98 0.00 0.00 173.24 174.03 2dnx s SER 3 N -3.84 6.19 0.00 7.02 0.15 -1.26 -4.95 113.70 117.01 2dnx s SER 3 Ca 0.34 -0.76 0.00 0.00 0.70 0.00 0.00 55.95 56.23 2dnx s SER 3 Cb -0.07 -2.22 0.00 0.00 -1.71 0.00 0.00 66.02 62.01 2dnx s SER 3 CO 0.24 -0.61 0.00 0.61 1.20 0.00 0.00 173.24 174.69 2dnx n GLY 4 N 5.13 -0.89 3.65 9.45 0.00 -1.26 -5.17 105.19 116.10 2dnx n GLY 4 Ca -0.08 -1.00 -0.01 0.00 0.00 0.00 0.00 46.02 44.93 2dnx n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dnx s SER 5 N -4.00 -0.10 -0.29 1.61 0.15 -1.26 -5.15 113.70 104.66 2dnx s SER 5 Ca 0.00 0.18 -0.24 0.00 0.70 0.00 0.00 55.95 56.58 2dnx s SER 5 Cb 0.00 0.54 0.16 0.00 -1.71 0.00 0.00 66.02 65.01 2dnx s SER 5 CO 0.00 -0.03 1.21 -0.94 1.20 0.00 0.00 173.24 174.68 2dnx s SER 6 N 0.48 -0.27 -0.12 5.45 1.04 -1.26 -5.15 113.70 113.87 2dnx s SER 6 Ca 0.01 0.51 -0.23 0.00 0.48 0.00 0.00 55.95 56.72 2dnx s SER 6 Cb -0.04 0.58 -0.03 0.00 0.10 0.00 0.00 66.02 66.63 2dnx s SER 6 CO -0.13 -0.09 0.69 -0.83 0.98 0.00 0.00 173.24 173.87 2dnx s GLY 7 N 0.24 2.38 0.13 7.32 0.00 -1.26 -4.98 107.32 111.14 2dnx s GLY 7 Ca 0.04 -0.00 -0.08 0.00 0.00 0.00 0.00 44.72 44.68 2dnx s GLY 7 CO -0.11 1.27 0.41 -1.06 0.00 0.00 0.00 173.10 173.62 2dnx n GLN 8 N 4.34 0.40 -0.18 2.90 6.02 -1.26 -5.17 117.38 124.42 2dnx n GLN 8 Ca -0.01 -0.82 -0.18 0.00 -0.01 0.00 0.00 57.00 55.98 2dnx n GLN 8 Cb 0.50 1.07 0.18 0.00 1.02 0.00 0.00 30.24 33.01 2dnx n GLN 8 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2dnx n LEU 9 N 0.00 0.00 -3.55 1.08 7.99 -1.26 -4.74 117.00 116.52 2dnx n LEU 9 Ca -0.02 -0.53 -0.40 0.00 -0.01 0.00 0.00 56.01 55.05 2dnx n LEU 9 Cb 0.26 -0.64 -0.02 0.00 -0.11 0.00 0.00 43.42 42.92 2dnx n LEU 9 CO 0.11 -2.34 2.83 0.54 -1.51 0.00 0.00 177.39 177.02 2dnx n ARG 10 N -3.91 2.91 -2.91 3.23 1.74 -1.26 -4.78 116.66 111.68 2dnx n ARG 10 Ca 0.08 -2.31 -0.32 0.00 -0.77 0.00 0.00 57.85 54.53 2dnx n ARG 10 Cb 0.36 -3.04 -0.05 0.00 -1.02 0.00 0.00 32.46 28.71 2dnx n ARG 10 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2dnx s ASP 11 N 3.10 6.75 0.19 0.55 1.01 -1.26 -4.74 116.67 122.27 2dnx s ASP 11 Ca 0.55 1.40 -0.24 0.00 0.71 0.00 0.00 52.55 54.96 2dnx s ASP 11 Cb 0.15 -2.43 0.08 0.00 1.01 0.00 0.00 42.92 41.74 2dnx s ASP 11 CO -0.05 -0.33 1.55 0.15 0.21 0.00 0.00 175.17 176.70 2dnx h PHE 12 N 1.81 -1.43 -0.21 4.23 3.04 -1.95 1.84 116.94 124.28 2dnx h PHE 12 Ca -0.48 0.11 0.02 0.00 3.98 0.00 0.00 57.97 61.60 2dnx h PHE 12 Cb 1.18 0.75 -0.01 0.00 2.56 0.00 0.00 35.95 40.43 2dnx h PHE 12 CO 0.62 -0.40 0.14 0.77 -2.02 0.00 0.00 178.31 177.42 2dnx h SER 13 N -0.05 0.17 -0.12 0.41 0.02 -1.97 1.12 113.55 113.12 2dnx h SER 13 Ca 0.24 -0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.96 2dnx h SER 13 Cb 0.52 -0.04 0.01 0.00 0.14 0.00 0.00 62.40 63.04 2dnx h SER 13 CO -0.90 0.12 -0.82 0.28 -1.14 0.00 0.00 176.83 174.37 2dnx h SER 14 N 0.20 0.92 -0.16 3.07 0.02 0.18 -1.14 113.55 116.64 2dnx h SER 14 Ca 0.08 -0.65 -0.22 0.00 -0.84 0.00 0.00 61.79 60.16 2dnx h SER 14 Cb 0.09 -0.27 0.01 0.00 0.14 0.00 0.00 62.40 62.37 2dnx h SER 14 CO -0.02 1.43 -0.75 0.40 -1.14 0.00 0.00 176.83 176.75 2dnx h ILE 15 N 0.48 1.28 0.48 3.27 2.04 0.32 -2.91 117.51 122.47 2dnx h ILE 15 Ca -0.07 -1.95 -0.02 0.00 1.00 0.00 0.00 64.86 63.82 2dnx h ILE 15 Cb 1.45 1.97 0.00 0.00 -0.74 0.00 0.00 36.82 39.51 2dnx h ILE 15 CO 0.17 0.62 -0.23 0.40 0.00 0.00 0.00 178.15 179.11 2dnx h ILE 16 N 0.53 0.00 -0.93 -0.67 2.04 0.12 -1.17 117.51 117.43 2dnx h ILE 16 Ca -0.05 -0.03 0.16 0.00 1.00 0.00 0.00 64.86 65.94 2dnx h ILE 16 Cb 1.38 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 37.30 2dnx h ILE 16 CO 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 178.15 178.00 2dnx n GLN 17 N -3.80 -0.16 -0.30 2.37 1.13 -0.43 0.20 117.38 116.39 2dnx n GLN 17 Ca -0.08 1.44 0.03 0.00 -1.94 0.00 0.00 57.00 56.45 2dnx n GLN 17 Cb 0.25 -2.15 0.17 0.00 0.11 0.00 0.00 30.24 28.62 2dnx n GLN 17 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 2dnx h THR 18 N 0.00 0.92 0.89 5.09 2.02 -1.41 0.82 112.91 121.24 2dnx h THR 18 Ca 0.38 -0.28 -0.04 0.00 0.77 0.00 0.00 66.41 67.23 2dnx h THR 18 Cb 0.61 0.04 0.01 0.00 -1.74 0.00 0.00 68.15 67.06 2dnx h THR 18 CO -0.94 0.15 -0.43 0.00 0.37 0.00 0.00 175.52 174.67 2dnx h SER 20 N -1.31 -1.95 -0.17 0.00 0.87 0.04 0.48 113.55 111.49 2dnx h SER 20 Ca -0.12 0.28 0.05 0.00 -1.23 0.00 0.00 61.79 60.76 2dnx h SER 20 Cb 0.91 0.83 -0.07 0.00 -0.44 0.00 0.00 62.40 63.63 2dnx h SER 20 CO 0.20 -0.34 -0.42 1.23 -0.53 0.00 0.00 176.83 176.97 2dnx h GLY 21 N -0.24 -0.69 -0.66 5.77 0.00 -0.82 -1.80 103.07 104.63 2dnx h GLY 21 Ca 0.11 0.52 0.08 0.00 0.00 0.00 0.00 47.33 48.05 2dnx h GLY 21 CO -0.73 -0.22 -0.52 3.43 0.00 0.00 0.00 176.54 178.50 2dnx h ASN 22 N -0.47 -1.82 -0.63 0.19 2.35 0.38 0.22 115.58 115.80 2dnx h ASN 22 Ca 0.08 0.28 0.06 0.00 -0.55 0.00 0.00 56.30 56.17 2dnx h ASN 22 Cb 0.62 0.80 -0.09 0.00 0.05 0.00 0.00 38.32 39.70 2dnx h ASN 22 CO -0.42 -0.32 -0.51 0.40 -1.65 0.00 0.00 177.43 174.93 2dnx h ILE 23 N -0.20 0.00 -0.85 2.81 2.04 -0.20 0.48 117.51 121.59 2dnx h ILE 23 Ca 0.15 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.10 2dnx h ILE 23 Cb 0.53 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.49 2dnx h ILE 23 CO -0.76 0.00 -0.55 1.56 0.00 0.00 0.00 178.15 178.41 2dnx h GLN 24 N -0.17 -0.09 -0.06 2.37 4.20 -0.21 0.24 115.11 121.39 2dnx h GLN 24 Ca 0.10 0.01 0.04 0.00 0.06 0.00 0.00 58.65 58.86 2dnx h GLN 24 Cb 0.44 0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.19 2dnx h GLN 24 CO -0.68 -0.06 -0.27 0.00 -0.67 0.00 0.00 178.83 177.14 2dnx h ARG 25 N -0.10 -0.37 -0.56 1.46 -0.00 0.23 1.24 114.38 116.29 2dnx h ARG 25 Ca 0.17 0.02 0.07 0.00 -0.50 0.00 0.00 59.98 59.75 2dnx h ARG 25 Cb 0.48 0.08 -0.10 0.00 0.00 0.00 0.00 29.97 30.44 2dnx h ARG 25 CO -0.86 -0.24 -0.50 0.82 0.00 0.00 0.00 179.97 179.19 2dnx h ILE 26 N -0.38 0.04 -0.68 2.04 2.04 0.22 1.16 117.51 121.95 2dnx h ILE 26 Ca 0.08 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.92 2dnx h ILE 26 Cb 0.49 0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 36.59 2dnx h ILE 26 CO -0.27 0.00 0.34 0.77 0.00 0.00 0.00 178.15 178.98 2dnx h SER 27 N -0.27 0.88 0.19 1.72 4.64 -0.08 -0.98 113.55 119.65 2dnx h SER 27 Ca 0.14 -0.13 -0.01 0.00 -0.47 0.00 0.00 61.79 61.33 2dnx h SER 27 Cb 0.56 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.42 2dnx h SER 27 CO -0.68 0.76 -0.16 1.56 -0.87 0.00 0.00 176.83 177.44 2dnx h GLN 28 N 0.94 -0.32 -1.01 4.77 1.08 0.45 0.22 115.11 121.24 2dnx h GLN 28 Ca 0.24 0.02 0.27 0.00 -1.45 0.00 0.00 58.65 57.72 2dnx h GLN 28 Cb 0.10 0.07 -0.13 0.00 -0.05 0.00 0.00 27.48 27.48 2dnx h GLN 28 CO -0.03 -0.21 0.59 0.00 -0.95 0.00 0.00 178.83 178.23 2dnx h ALA 29 N -1.55 1.85 -0.21 3.87 0.00 0.12 1.46 119.26 124.81 2dnx h ALA 29 Ca -0.02 0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 2dnx h ALA 29 Cb 0.28 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2dnx h ALA 29 CO -0.00 -0.36 -0.01 1.15 0.00 0.00 0.00 179.25 180.03 2dnx h THR 30 N 0.51 1.14 -0.43 0.00 2.02 -0.61 -0.96 112.91 114.58 2dnx h THR 30 Ca 0.67 -0.55 -0.14 0.00 0.77 0.00 0.00 66.41 67.15 2dnx h THR 30 Cb 1.36 1.00 -0.01 0.00 -1.74 0.00 0.00 68.15 68.75 2dnx h THR 30 CO -0.51 0.18 -0.29 0.00 0.37 0.00 0.00 175.52 175.27 2dnx h ALA 31 N 1.70 0.61 0.07 6.16 0.00 0.53 -2.89 119.26 125.44 2dnx h ALA 31 Ca 0.07 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 2dnx h ALA 31 Cb 0.22 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2dnx h ALA 31 CO 0.01 0.66 -0.03 1.96 0.00 0.00 0.00 179.25 181.84 2dnx h GLN 32 N 0.79 -0.09 -1.09 0.00 1.08 -0.45 -0.46 115.11 114.90 2dnx h GLN 32 Ca 0.09 0.01 0.30 0.00 -1.45 0.00 0.00 58.65 57.59 2dnx h GLN 32 Cb 0.88 0.02 -0.07 0.00 -0.05 0.00 0.00 27.48 28.26 2dnx h GLN 32 CO 0.08 0.11 0.74 0.82 -0.95 0.00 0.00 178.83 179.63 2dnx h ILE 33 N -0.27 0.47 0.04 2.54 2.04 -1.18 1.98 117.51 123.13 2dnx h ILE 33 Ca -0.01 -0.07 -0.22 0.00 1.00 0.00 0.00 64.86 65.56 2dnx h ILE 33 Cb 0.24 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 36.56 2dnx h ILE 33 CO 0.02 0.04 -1.03 0.11 0.00 0.00 0.00 178.15 177.28 2dnx h LYS 34 N 0.20 0.14 -0.03 2.37 1.57 -1.20 -0.07 116.57 119.55 2dnx h LYS 34 Ca 0.57 -0.20 -0.16 0.00 -1.87 0.00 0.00 60.65 58.99 2dnx h LYS 34 Cb 1.84 0.07 0.01 0.00 0.08 0.00 0.00 32.23 34.23 2dnx h LYS 34 CO -0.16 1.05 -0.60 -0.97 -0.57 0.00 0.00 179.45 178.19 2dnx h ASN 35 N 0.05 0.59 1.08 0.86 -0.73 0.37 -3.11 115.58 114.69 2dnx h ASN 35 Ca -0.06 -0.72 -0.04 0.00 1.87 0.00 0.00 56.30 57.35 2dnx h ASN 35 Cb 1.74 -0.18 -0.01 0.00 0.27 0.00 0.00 38.32 40.15 2dnx h ASN 35 CO 0.15 1.23 -0.21 -0.07 -0.37 0.00 0.00 177.43 178.16 2dnx h LEU 36 N 0.01 0.00 0.27 0.34 3.38 0.23 -3.24 115.31 116.30 2dnx h LEU 36 Ca -0.07 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.91 2dnx h LEU 36 Cb 1.29 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.00 2dnx h LEU 36 CO 0.12 0.21 -0.41 -0.03 0.09 0.00 0.00 178.44 178.42 2dnx h MET 37 N 0.00 -0.72 -0.97 1.13 4.05 -0.93 -2.49 114.93 115.01 2dnx h MET 37 Ca -0.00 0.05 0.15 0.00 -0.28 0.00 0.00 59.70 59.62 2dnx h MET 37 Cb 0.81 0.16 -0.16 0.00 -0.80 0.00 0.00 31.60 31.62 2dnx h MET 37 CO 0.03 -0.48 -0.37 0.43 0.23 0.00 0.00 176.91 176.75 2dnx n SER 38 N -5.48 -0.62 -0.16 1.39 7.64 -1.22 -0.72 113.62 114.45 2dnx n SER 38 Ca -0.09 1.69 -0.06 0.00 1.01 0.00 0.00 58.87 61.42 2dnx n SER 38 Cb 0.39 -0.39 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 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 -0.06 -1.74 1.43 4.20 -1.60 1.35 115.11 118.69 2dnx h GLN 39 Ca 0.34 0.00 0.54 0.00 0.06 0.00 0.00 58.65 59.59 2dnx h GLN 39 Cb 0.58 0.01 -0.11 0.00 0.30 0.00 0.00 27.48 28.27 2dnx h GLN 39 CO -0.96 -0.04 1.21 -0.07 -0.67 0.00 0.00 178.83 178.30 2dnx h LEU 40 N -0.06 0.08 -0.00 1.46 4.07 -0.83 0.23 115.31 120.26 2dnx h LEU 40 Ca 0.06 0.07 0.00 0.00 0.08 0.00 0.00 57.88 58.09 2dnx h LEU 40 Cb 0.22 0.07 -0.00 0.00 1.08 0.00 0.00 40.66 42.03 2dnx h LEU 40 CO -0.39 -0.11 -0.02 1.23 -1.08 0.00 0.00 178.44 178.07 2dnx h GLY 41 N 0.00 -1.42 -2.80 0.83 0.00 0.22 -3.43 103.07 96.48 2dnx h GLY 41 Ca 0.92 0.61 -0.56 0.00 0.00 0.00 0.00 47.33 48.31 2dnx h GLY 41 CO -0.21 -0.53 -0.83 -0.37 0.00 0.00 0.00 176.54 174.61 2dnx n THR 42 N -2.63 0.88 -1.33 4.70 5.66 0.07 -4.86 114.28 116.76 2dnx n THR 42 Ca -0.00 -0.40 -0.35 0.00 -3.05 0.00 0.00 64.05 60.24 2dnx n THR 42 Cb 0.02 -0.46 0.09 0.00 -1.55 0.00 0.00 70.33 68.43 2dnx n THR 42 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 2dnx n LYS 43 N 0.09 0.48 -1.45 1.09 4.81 -1.26 -4.69 118.16 117.22 2dnx n LYS 43 Ca 0.07 0.22 0.00 0.00 -0.87 0.00 0.00 58.31 57.73 2dnx n LYS 43 Cb 0.51 -2.26 0.00 0.00 0.02 0.00 0.00 35.03 33.30 2dnx n LYS 43 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 2dnx n GLN 44 N -2.05 -3.97 -4.58 1.64 7.27 -1.26 -5.05 117.38 109.37 2dnx n GLN 44 Ca 0.13 3.03 -0.28 0.00 0.07 0.00 0.00 57.00 59.95 2dnx n GLN 44 Cb 0.50 -3.61 -0.08 0.00 2.41 0.00 0.00 30.24 29.45 2dnx n GLN 44 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 2dnx s ASP 45 N -4.38 3.15 0.00 1.69 -1.08 -1.26 -4.84 116.67 109.95 2dnx s ASP 45 Ca 0.00 -1.72 0.00 0.00 -0.52 0.00 0.00 52.55 50.31 2dnx s ASP 45 Cb 0.00 0.61 -0.00 0.00 -1.46 0.00 0.00 42.92 42.06 2dnx s ASP 45 CO 0.00 -0.97 -0.01 -0.44 0.52 0.00 0.00 175.17 174.27 2dnx s SER 46 N -3.68 0.12 0.36 -0.34 0.01 -1.26 -5.03 113.70 103.87 2dnx s SER 46 Ca 0.18 -0.05 0.04 0.00 1.31 0.00 0.00 55.95 57.43 2dnx s SER 46 Cb 0.01 -0.01 0.67 0.00 0.21 0.00 0.00 66.02 66.90 2dnx s SER 46 CO 0.12 -0.01 1.97 -1.28 0.41 0.00 0.00 173.24 174.46 2dnx h SER 47 N 6.04 0.61 -1.03 2.44 0.87 -2.02 -1.44 113.55 119.02 2dnx h SER 47 Ca -0.25 -0.05 0.26 0.00 -1.23 0.00 0.00 61.79 60.53 2dnx h SER 47 Cb 1.21 -0.15 -0.11 0.00 -0.44 0.00 0.00 62.40 62.90 2dnx h SER 47 CO 0.50 0.51 0.64 0.11 -0.53 0.00 0.00 176.83 178.06 2dnx h LYS 48 N 0.69 0.45 0.00 2.24 1.79 -1.99 0.40 116.57 120.16 2dnx h LYS 48 Ca 0.18 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.62 2dnx h LYS 48 Cb 0.05 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 30.60 2dnx h LYS 48 CO -0.03 0.30 -0.01 -0.07 -1.08 0.00 0.00 179.45 178.56 2dnx h LEU 49 N 0.47 0.00 -1.10 2.94 3.38 -1.71 -2.34 115.31 116.95 2dnx h LEU 49 Ca 0.63 0.00 0.40 0.00 0.09 0.00 0.00 57.88 59.00 2dnx h LEU 49 Cb 1.42 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 42.04 2dnx h LEU 49 CO -0.39 0.31 0.68 0.00 0.09 0.00 0.00 178.44 179.13 2dnx n GLN 50 N -3.67 -0.04 -0.04 1.13 6.02 -0.84 0.18 117.38 120.13 2dnx n GLN 50 Ca -0.00 1.13 -0.14 0.00 -0.01 0.00 0.00 57.00 57.98 2dnx n GLN 50 Cb 0.01 -2.16 -0.11 0.00 1.02 0.00 0.00 30.24 28.99 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 0.05 -0.70 -1.09 4.39 -0.31 -2.76 114.58 114.15 2dnx h GLU 51 Ca 0.76 -0.05 0.04 0.00 0.34 0.00 0.00 59.36 60.45 2dnx h GLU 51 Cb 2.32 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 30.94 2dnx h GLU 51 CO -0.49 0.81 0.44 -0.91 -1.16 0.00 0.00 179.01 177.69 2dnx h ASN 52 N -0.69 0.71 0.26 1.42 2.35 0.25 0.23 115.58 120.10 2dnx h ASN 52 Ca -0.01 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.75 2dnx h ASN 52 Cb 0.83 -0.15 -0.04 0.00 0.05 0.00 0.00 38.32 39.01 2dnx h ASN 52 CO 0.01 0.48 -0.43 -0.07 -1.65 0.00 0.00 177.43 175.78 2dnx h LEU 53 N 0.84 -1.22 0.40 1.61 3.38 0.94 0.62 115.31 121.87 2dnx h LEU 53 Ca 0.29 0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.36 2dnx h LEU 53 Cb 0.05 0.44 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 2dnx h LEU 53 CO -0.12 -0.53 -0.27 1.56 0.09 0.00 0.00 178.44 179.17 2dnx h GLN 54 N -0.76 -0.61 -0.93 1.13 1.08 -1.15 0.18 115.11 114.06 2dnx h GLN 54 Ca -0.01 0.04 0.26 0.00 -1.45 0.00 0.00 58.65 57.50 2dnx h GLN 54 Cb 0.72 0.14 -0.16 0.00 -0.05 0.00 0.00 27.48 28.13 2dnx h GLN 54 CO -0.17 -0.41 0.17 1.96 -0.95 0.00 0.00 178.83 179.44 2dnx h GLN 55 N -0.63 0.10 -0.76 1.46 1.08 -0.50 1.51 115.11 117.38 2dnx h GLN 55 Ca -0.05 -0.01 0.01 0.00 -1.45 0.00 0.00 58.65 57.15 2dnx h GLN 55 Cb 0.51 -0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 27.88 2dnx h GLN 55 CO 0.04 0.06 0.50 -0.07 -0.95 0.00 0.00 178.83 178.41 2dnx h LEU 56 N 0.10 0.85 0.45 1.46 3.38 0.63 0.54 115.31 122.72 2dnx h LEU 56 Ca 0.59 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.52 2dnx h LEU 56 Cb 1.26 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.80 2dnx h LEU 56 CO -0.77 0.61 -0.22 1.56 0.09 0.00 0.00 178.44 179.71 2dnx h GLN 57 N 1.01 -0.59 -0.30 1.13 4.20 0.39 -2.59 115.11 118.35 2dnx h GLN 57 Ca 0.28 0.04 0.04 0.00 0.06 0.00 0.00 58.65 59.07 2dnx h GLN 57 Cb -0.10 0.13 -0.07 0.00 0.30 0.00 0.00 27.48 27.75 2dnx h GLN 57 CO -0.07 -0.29 -0.49 1.25 -0.67 0.00 0.00 178.83 178.57 2dnx h HIS 58 N -0.99 -1.48 -0.88 2.96 2.76 0.39 1.39 115.15 119.30 2dnx h HIS 58 Ca -0.06 0.07 0.17 0.00 -2.20 0.00 0.00 60.37 58.34 2dnx h HIS 58 Cb 0.57 0.68 -0.16 0.00 1.55 0.00 0.00 27.41 30.06 2dnx h HIS 58 CO 0.02 -0.44 -0.25 1.03 -1.30 0.00 0.00 177.93 176.98 2dnx h SER 59 N -0.39 -0.93 -0.54 3.26 0.87 -0.96 0.86 113.55 115.72 2dnx h SER 59 Ca 0.06 0.27 -0.09 0.00 -1.23 0.00 0.00 61.79 60.79 2dnx h SER 59 Cb 0.54 0.58 -0.02 0.00 -0.44 0.00 0.00 62.40 63.06 2dnx h SER 59 CO -0.49 -0.29 -0.02 0.74 -0.53 0.00 0.00 176.83 176.24 2dnx h THR 60 N -0.01 1.26 -0.46 2.23 2.02 -0.55 -1.40 112.91 116.01 2dnx h THR 60 Ca 0.40 -1.15 0.09 0.00 0.77 0.00 0.00 66.41 66.53 2dnx h THR 60 Cb 0.63 0.85 -0.10 0.00 -1.74 0.00 0.00 68.15 67.79 2dnx h THR 60 CO -0.91 0.41 -0.26 -1.13 0.37 0.00 0.00 175.52 174.00 2dnx h ASN 61 N 0.91 -0.89 0.61 4.18 -1.24 0.89 0.31 115.58 120.35 2dnx h ASN 61 Ca 0.16 0.18 -0.03 0.00 0.71 0.00 0.00 56.30 57.32 2dnx h ASN 61 Cb 0.56 0.45 0.01 0.00 0.73 0.00 0.00 38.32 40.07 2dnx h ASN 61 CO 0.03 -0.28 -0.29 1.56 -1.29 0.00 0.00 177.43 177.16 2dnx h GLN 62 N -0.17 -0.79 -0.91 6.67 4.20 -1.01 -1.95 115.11 121.15 2dnx h GLN 62 Ca 0.21 0.05 0.24 0.00 0.06 0.00 0.00 58.65 59.21 2dnx h GLN 62 Cb 0.50 0.18 -0.17 0.00 0.30 0.00 0.00 27.48 28.29 2dnx h GLN 62 CO -0.55 -0.49 -0.03 1.28 -0.67 0.00 0.00 178.83 178.36 2dnx n LEU 63 N -5.34 -0.15 0.13 1.46 4.77 -0.54 0.15 117.00 117.47 2dnx n LEU 63 Ca -0.11 1.55 -0.05 0.00 -0.03 0.00 0.00 56.01 57.37 2dnx n LEU 63 Cb 0.35 -0.55 -0.02 0.00 -2.33 0.00 0.00 43.42 40.87 2dnx n LEU 63 CO 0.29 -1.56 0.49 0.00 -1.33 0.00 0.00 177.39 175.28 2dnx h ALA 64 N 1.82 -1.04 -0.98 -1.18 0.00 -0.31 -0.33 119.26 117.24 2dnx h ALA 64 Ca 0.53 -0.07 0.33 0.00 0.00 0.00 0.00 54.91 55.70 2dnx h ALA 64 Cb 1.04 0.12 -0.16 0.00 0.00 0.00 0.00 17.79 18.80 2dnx h ALA 64 CO -0.87 -1.02 0.47 1.57 0.00 0.00 0.00 179.25 179.40 2dnx h LYS 65 N -0.33 0.21 -0.29 0.00 2.10 0.01 0.91 116.57 119.18 2dnx h LYS 65 Ca -0.03 -0.01 0.02 0.00 -2.00 0.00 0.00 60.65 58.63 2dnx h LYS 65 Cb 0.25 -0.05 -0.03 0.00 -0.90 0.00 0.00 32.23 31.50 2dnx h LYS 65 CO 0.05 0.14 0.13 0.93 -2.00 0.00 0.00 179.45 178.70 2dnx h GLU 66 N 0.21 0.27 -0.24 0.07 5.08 0.16 -2.60 114.58 117.54 2dnx h GLU 66 Ca 0.72 -0.02 0.06 0.00 -1.00 0.00 0.00 59.36 59.12 2dnx h GLU 66 Cb 1.68 -0.06 -0.07 0.00 0.50 0.00 0.00 28.75 30.80 2dnx h GLU 66 CO -0.67 0.18 -0.35 1.15 -1.00 0.00 0.00 179.01 178.32 2dnx h THR 67 N 0.28 0.23 -0.65 1.13 2.02 0.26 0.36 112.91 116.54 2dnx h THR 67 Ca 0.12 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.43 2dnx h THR 67 Cb 0.06 0.23 -0.12 0.00 -1.74 0.00 0.00 68.15 66.58 2dnx h THR 67 CO -0.10 0.00 -0.24 -1.13 0.37 0.00 0.00 175.52 174.42 2dnx h ASN 68 N -0.36 -0.85 -0.09 4.18 -1.24 -1.14 1.42 115.58 117.51 2dnx h ASN 68 Ca 0.12 0.22 0.01 0.00 0.71 0.00 0.00 56.30 57.36 2dnx h ASN 68 Cb 0.56 0.49 -0.01 0.00 0.73 0.00 0.00 38.32 40.08 2dnx h ASN 68 CO -0.44 -0.26 0.02 -0.33 -1.29 0.00 0.00 177.43 175.13 2dnx h GLU 69 N -0.07 0.05 -0.10 6.67 5.08 -0.79 -0.70 114.58 124.73 2dnx h GLU 69 Ca 0.29 -0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.67 2dnx h GLU 69 Cb 0.53 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 2dnx h GLU 69 CO -0.70 0.04 -0.05 -0.07 -1.00 0.00 0.00 179.01 177.23 2dnx h LEU 70 N 0.05 -0.15 -1.13 1.33 3.38 0.23 -0.76 115.31 118.25 2dnx h LEU 70 Ca 0.04 0.04 0.20 0.00 0.09 0.00 0.00 57.88 58.24 2dnx h LEU 70 Cb 0.03 0.09 -0.10 0.00 0.09 0.00 0.00 40.66 40.77 2dnx h LEU 70 CO -0.05 -0.06 0.61 -0.07 0.09 0.00 0.00 178.44 178.96 2dnx h LEU 71 N -0.04 0.69 -0.39 1.67 3.38 0.21 0.31 115.31 121.15 2dnx h LEU 71 Ca 0.06 0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 2dnx h LEU 71 Cb 0.12 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 2dnx h LEU 71 CO -0.12 0.25 0.22 0.11 0.09 0.00 0.00 178.44 178.99 2dnx h LYS 72 N 0.68 0.53 0.14 1.13 1.57 0.28 -2.61 116.57 118.30 2dnx h LYS 72 Ca 0.56 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 59.27 2dnx h LYS 72 Cb 0.98 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.18 2dnx h LYS 72 CO -0.33 0.41 -0.07 0.93 -0.57 0.00 0.00 179.45 179.82 2dnx h GLU 73 N 0.50 -0.19 -0.59 3.15 5.08 0.42 0.74 114.58 123.70 2dnx h GLU 73 Ca 0.14 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.57 2dnx h GLU 73 Cb 0.02 0.04 -0.08 0.00 0.50 0.00 0.00 28.75 29.24 2dnx h GLU 73 CO -0.02 -0.11 -0.41 -0.07 -1.00 0.00 0.00 179.01 177.40 2dnx h LEU 74 N -0.20 -1.46 -2.03 1.33 3.38 -0.68 1.14 115.31 116.78 2dnx h LEU 74 Ca -0.02 0.21 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 2dnx h LEU 74 Cb 0.16 0.64 -0.00 0.00 0.09 0.00 0.00 40.66 41.54 2dnx h LEU 74 CO 0.03 -0.19 -0.05 1.23 0.09 0.00 0.00 178.44 179.55 2dnx h GLY 75 N -0.07 0.00 1.00 0.83 0.00 -1.37 -1.77 103.07 101.69 2dnx h GLY 75 Ca 0.10 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.38 2dnx h GLY 75 CO -0.59 0.00 0.16 0.23 0.00 0.00 0.00 176.54 176.33 2dnx h SER 76 N 0.00 0.83 -2.85 0.19 0.87 0.35 -3.44 113.55 109.50 2dnx h SER 76 Ca -0.00 -0.22 -0.57 0.00 -1.23 0.00 0.00 61.79 59.77 2dnx h SER 76 Cb 0.09 -0.22 0.19 0.00 -0.44 0.00 0.00 62.40 62.02 2dnx h SER 76 CO 0.01 0.83 -0.65 0.18 -0.53 0.00 0.00 176.83 176.67 2dnx n LEU 77 N -4.42 -0.54 -4.79 2.23 4.77 0.17 -4.95 117.00 109.48 2dnx n LEU 77 Ca 0.03 0.60 -0.29 0.00 -0.03 0.00 0.00 56.01 56.31 2dnx n LEU 77 Cb 0.22 -1.10 0.14 0.00 -2.33 0.00 0.00 43.42 40.34 2dnx n LEU 77 CO 0.40 -3.64 0.72 -2.16 -1.33 0.00 0.00 177.39 171.37 2dnx s PRO 78 N -2.26 1.13 0.04 3.23 0.04 -1.26 -5.02 135.00 130.90 2dnx s PRO 78 Ca 0.62 0.28 0.02 0.00 0.04 0.00 0.00 61.00 61.96 2dnx s PRO 78 Cb -0.38 -1.84 -0.04 0.00 0.04 0.00 0.00 34.50 32.28 2dnx s PRO 78 CO 0.61 -2.21 0.07 -0.51 0.04 0.00 0.00 177.00 175.01 2dnx s LEU 79 N -6.04 3.81 0.85 -3.56 1.43 -1.26 -5.11 118.68 108.80 2dnx s LEU 79 Ca 0.64 0.05 -0.12 0.00 -1.03 0.00 0.00 54.13 53.67 2dnx s LEU 79 Cb -0.15 -2.38 0.10 0.00 0.03 0.00 0.00 46.19 43.80 2dnx s LEU 79 CO 0.53 0.22 1.11 -2.16 0.23 0.00 0.00 176.35 176.28 2dnx s PRO 80 N -2.10 1.68 0.26 1.29 0.04 -1.26 -4.96 135.00 129.95 2dnx s PRO 80 Ca 0.26 0.49 0.06 0.00 0.04 0.00 0.00 61.00 61.85 2dnx s PRO 80 Cb -0.12 -1.88 0.34 0.00 0.04 0.00 0.00 34.50 32.88 2dnx s PRO 80 CO 0.18 -1.87 1.62 -0.07 0.04 0.00 0.00 177.00 176.90 2dnx h LEU 81 N -1.26 0.20 -9.91 -3.56 -0.00 -2.02 -3.44 115.31 95.32 2dnx h LEU 81 Ca -0.49 -0.11 -0.50 0.00 -0.00 0.00 0.00 57.88 56.79 2dnx h LEU 81 Cb 1.30 -0.06 -0.03 0.00 -0.00 0.00 0.00 40.66 41.87 2dnx h LEU 81 CO 0.60 0.71 0.15 -0.44 -0.00 0.00 0.00 178.44 179.47 2dnx s SER 82 N -6.88 7.02 -0.07 -0.43 0.01 -1.26 -4.99 113.70 107.10 2dnx s SER 82 Ca -0.04 1.46 -0.21 0.00 1.31 0.00 0.00 55.95 58.48 2dnx s SER 82 Cb 0.13 -2.44 -0.30 0.00 0.21 0.00 0.00 66.02 63.62 2dnx s SER 82 CO 0.78 -0.06 0.79 0.74 0.41 0.00 0.00 173.24 175.91 2dnx h THR 83 N 2.50 1.39 -1.47 1.44 2.02 -1.99 -3.02 112.91 113.78 2dnx h THR 83 Ca -0.48 -2.49 0.45 0.00 0.77 0.00 0.00 66.41 64.66 2dnx h THR 83 Cb 1.19 3.07 -0.10 0.00 -1.74 0.00 0.00 68.15 70.57 2dnx h THR 83 CO 0.65 0.70 1.00 -1.28 0.37 0.00 0.00 175.52 176.96 2dnx h SER 84 N -0.39 0.16 0.20 4.18 0.87 -1.98 1.20 113.55 117.79 2dnx h SER 84 Ca -0.18 0.08 -0.34 0.00 -1.23 0.00 0.00 61.79 60.12 2dnx h SER 84 Cb 1.64 0.07 0.02 0.00 -0.44 0.00 0.00 62.40 63.69 2dnx h SER 84 CO 0.12 -0.10 -1.62 -0.33 -0.53 0.00 0.00 176.83 174.36 2dnx h GLU 85 N 0.07 0.43 -0.29 2.24 4.39 -1.97 -3.18 114.58 116.27 2dnx h GLU 85 Ca 0.81 -0.73 0.05 0.00 0.34 0.00 0.00 59.36 59.84 2dnx h GLU 85 Cb 2.82 0.27 -0.08 0.00 -0.10 0.00 0.00 28.75 31.66 2dnx h GLU 85 CO -0.26 1.35 -0.46 1.96 -1.16 0.00 0.00 179.01 180.45 2dnx h GLN 86 N 0.07 -0.41 0.30 2.33 4.20 0.16 0.39 115.11 122.15 2dnx h GLN 86 Ca -0.31 0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.43 2dnx h GLN 86 Cb 2.08 0.09 -0.02 0.00 0.30 0.00 0.00 27.48 29.93 2dnx h GLN 86 CO 0.20 -0.27 -0.31 0.00 -0.67 0.00 0.00 178.83 177.78 2dnx h ARG 87 N -0.42 -0.61 -1.09 1.46 3.08 -1.40 -0.95 114.38 114.44 2dnx h ARG 87 Ca 0.10 0.04 0.30 0.00 0.07 0.00 0.00 59.98 60.49 2dnx h ARG 87 Cb 0.61 0.14 -0.08 0.00 0.08 0.00 0.00 29.97 30.72 2dnx h ARG 87 CO -0.50 -0.41 0.73 1.96 -1.07 0.00 0.00 179.97 180.67 2dnx h GLN 88 N -0.64 0.25 0.09 0.04 1.08 -1.36 1.00 115.11 115.57 2dnx h GLN 88 Ca -0.01 -0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.17 2dnx h GLN 88 Cb 0.59 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.96 2dnx h GLN 88 CO -0.07 0.17 -0.04 1.96 -0.95 0.00 0.00 178.83 179.90 2dnx h GLN 89 N 0.26 -0.12 -0.96 1.46 4.20 0.10 -0.56 115.11 119.50 2dnx h GLN 89 Ca 0.60 0.01 0.18 0.00 0.06 0.00 0.00 58.65 59.49 2dnx h GLN 89 Cb 1.78 0.03 -0.09 0.00 0.30 0.00 0.00 27.48 29.50 2dnx h GLN 89 CO -0.22 -0.08 0.61 0.07 -0.67 0.00 0.00 178.83 178.53 2dnx h ARG 90 N -0.18 0.67 -0.04 1.46 0.11 -0.57 0.29 114.38 116.12 2dnx h ARG 90 Ca -0.01 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 60.03 2dnx h ARG 90 Cb 0.09 -0.15 -0.00 0.00 1.11 0.00 0.00 29.97 31.02 2dnx h ARG 90 CO 0.02 0.45 0.01 -0.07 0.10 0.00 0.00 179.97 180.48 2dnx h LEU 91 N 0.69 0.01 -0.95 0.08 3.38 0.98 0.66 115.31 120.17 2dnx h LEU 91 Ca 0.52 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.61 2dnx h LEU 91 Cb 0.88 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.55 2dnx h LEU 91 CO -0.28 0.02 0.58 1.56 0.09 0.00 0.00 178.44 180.40 2dnx h GLN 92 N 0.04 0.89 0.11 1.13 1.08 0.71 -0.99 115.11 118.08 2dnx h GLN 92 Ca 0.02 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.16 2dnx h GLN 92 Cb 0.01 -0.20 0.00 0.00 -0.05 0.00 0.00 27.48 27.24 2dnx h GLN 92 CO -0.02 0.59 -0.05 -0.22 -0.95 0.00 0.00 178.83 178.17 2dnx h LYS 93 N 0.91 -0.15 -0.92 1.46 3.64 -0.62 -1.88 116.57 119.02 2dnx h LYS 93 Ca 0.47 0.01 0.26 0.00 -1.27 0.00 0.00 60.65 60.12 2dnx h LYS 93 Cb 0.47 0.03 -0.16 0.00 -0.41 0.00 0.00 32.23 32.17 2dnx h LYS 93 CO -0.27 0.29 0.16 0.93 -2.27 0.00 0.00 179.45 178.30 2dnx h GLU 94 N -0.66 0.10 -0.37 1.90 4.39 1.00 1.04 114.58 121.98 2dnx h GLU 94 Ca -0.02 -0.01 -0.15 0.00 0.34 0.00 0.00 59.36 59.53 2dnx h GLU 94 Cb 0.51 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 2dnx h GLU 94 CO 0.03 0.07 -0.36 0.00 -1.16 0.00 0.00 179.01 177.59 2dnx h ARG 95 N 0.11 0.86 -1.00 2.33 2.47 -1.17 -2.41 114.38 115.56 2dnx h ARG 95 Ca 0.58 -0.43 0.07 0.00 -1.26 0.00 0.00 59.98 58.94 2dnx h ARG 95 Cb 1.22 0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 29.48 2dnx h ARG 95 CO -0.77 1.08 0.65 -0.07 0.56 0.00 0.00 179.97 181.42 2dnx h LEU 96 N 0.71 1.03 0.35 3.04 3.38 0.18 0.60 115.31 124.60 2dnx h LEU 96 Ca 0.07 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 2dnx h LEU 96 Cb 0.93 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.47 2dnx h LEU 96 CO 0.09 0.65 -0.17 0.24 0.09 0.00 0.00 178.44 179.34 2dnx h MET 97 N 1.16 -0.45 0.37 1.13 2.86 -0.49 0.17 114.93 119.69 2dnx h MET 97 Ca 0.44 0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 58.10 2dnx h MET 97 Cb 0.18 0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 2dnx h MET 97 CO -0.18 -0.16 -0.28 -0.91 1.06 0.00 0.00 176.91 176.45 2dnx h ASN 98 N -0.73 -0.72 -0.49 1.22 2.35 -1.03 0.67 115.58 116.86 2dnx h ASN 98 Ca -0.05 0.05 0.10 0.00 -0.55 0.00 0.00 56.30 55.85 2dnx h ASN 98 Cb 0.50 0.23 -0.09 0.00 0.05 0.00 0.00 38.32 39.01 2dnx h ASN 98 CO 0.08 -0.42 -0.06 0.44 -1.65 0.00 0.00 177.43 175.81 2dnx h ASP 99 N -0.65 -0.34 -0.56 5.81 3.32 0.16 0.26 116.42 124.42 2dnx h ASP 99 Ca -0.03 0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.15 2dnx h ASP 99 Cb 0.56 0.26 -0.03 0.00 0.22 0.00 0.00 39.33 40.34 2dnx h ASP 99 CO 0.00 -0.12 0.35 0.15 -1.72 0.00 0.00 179.24 177.91 2dnx h PHE 100 N 0.05 0.72 0.53 4.55 3.57 -0.20 -1.81 116.94 124.35 2dnx h PHE 100 Ca 0.24 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.73 2dnx h PHE 100 Cb 0.37 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 2dnx h PHE 100 CO -0.36 0.48 -0.38 1.03 -2.23 0.00 0.00 178.31 176.84 2dnx h SER 101 N 0.76 -0.99 -1.03 0.41 0.87 0.21 0.85 113.55 114.62 2dnx h SER 101 Ca 0.20 0.07 0.26 0.00 -1.23 0.00 0.00 61.79 61.09 2dnx h SER 101 Cb -0.05 0.31 -0.11 0.00 -0.44 0.00 0.00 62.40 62.11 2dnx h SER 101 CO -0.04 -0.57 0.64 0.00 -0.53 0.00 0.00 176.83 176.32 2dnx h ALA 102 N -0.55 2.02 -0.00 6.23 0.00 -0.44 1.56 119.26 128.08 2dnx h ALA 102 Ca -0.06 0.10 -0.16 0.00 0.00 0.00 0.00 54.91 54.78 2dnx h ALA 102 Cb 0.74 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 2dnx h ALA 102 CO 0.03 -0.47 -0.77 0.00 0.00 0.00 0.00 179.25 178.03 2dnx h ALA 103 N 1.68 0.72 0.43 0.00 0.00 -0.42 -2.93 119.26 118.74 2dnx h ALA 103 Ca 0.63 -0.70 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 2dnx h ALA 103 Cb 1.39 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2dnx h ALA 103 CO -0.39 0.97 -0.21 1.25 0.00 0.00 0.00 179.25 180.87 2dnx h LEU 104 N 0.00 -0.49 -0.97 0.00 5.85 0.91 -2.81 115.31 117.80 2dnx h LEU 104 Ca -0.01 0.02 0.32 0.00 0.84 0.00 0.00 57.88 59.04 2dnx h LEU 104 Cb 1.37 0.13 -0.16 0.00 0.37 0.00 0.00 40.66 42.37 2dnx h LEU 104 CO 0.10 -0.16 0.41 -1.13 -0.34 0.00 0.00 178.44 177.32 2dnx h ASN 105 N -0.97 0.21 0.23 1.25 -0.73 -0.04 0.42 115.58 115.95 2dnx h ASN 105 Ca -0.06 0.22 0.01 0.00 1.87 0.00 0.00 56.30 58.34 2dnx h ASN 105 Cb 0.44 0.24 -0.04 0.00 0.27 0.00 0.00 38.32 39.24 2dnx h ASN 105 CO 0.10 -0.24 -0.46 0.78 -0.37 0.00 0.00 177.43 177.24 2dnx h ASN 106 N 0.18 -1.32 -0.77 1.15 2.35 -1.48 0.19 115.58 115.88 2dnx h ASN 106 Ca 0.70 0.13 0.13 0.00 -0.55 0.00 0.00 56.30 56.71 2dnx h ASN 106 Cb 1.60 0.48 -0.09 0.00 0.05 0.00 0.00 38.32 40.36 2dnx h ASN 106 CO -0.70 -0.55 0.35 0.15 -1.65 0.00 0.00 177.43 175.04 2dnx h PHE 107 N -0.76 0.61 0.40 1.19 3.57 0.02 -0.72 116.94 121.25 2dnx h PHE 107 Ca -0.01 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 2dnx h PHE 107 Cb 0.74 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 39.32 2dnx h PHE 107 CO -0.35 0.13 -0.24 1.96 -2.23 0.00 0.00 178.31 177.58 2dnx h GLN 108 N 0.53 -0.58 -0.64 1.11 4.20 -0.22 1.13 115.11 120.64 2dnx h GLN 108 Ca 0.41 0.04 0.19 0.00 0.06 0.00 0.00 58.65 59.35 2dnx h GLN 108 Cb 0.57 0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.46 2dnx h GLN 108 CO -0.36 -0.39 0.78 0.00 -0.67 0.00 0.00 178.83 178.19 2dnx h ALA 109 N -1.55 2.43 0.20 3.87 0.00 -0.33 1.41 119.26 125.29 2dnx h ALA 109 Ca -0.05 -0.02 -0.34 0.00 0.00 0.00 0.00 54.91 54.50 2dnx h ALA 109 Cb 0.48 0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.34 2dnx h ALA 109 CO 0.05 -1.11 -1.62 0.28 0.00 0.00 0.00 179.25 176.86 2dnx h VAL 110 N 0.00 1.06 -0.81 0.00 2.07 0.01 -3.12 116.25 115.47 2dnx h VAL 110 Ca 0.30 -2.56 0.07 0.00 0.82 0.00 0.00 66.70 65.34 2dnx h VAL 110 Cb 1.85 2.86 -0.05 0.00 -1.52 0.00 0.00 31.29 34.43 2dnx h VAL 110 CO -0.00 0.83 0.53 0.06 0.02 0.00 0.00 177.57 179.00 2dnx h GLN 111 N 0.07 0.83 0.42 1.57 3.07 1.07 -0.52 115.11 121.63 2dnx h GLN 111 Ca -0.31 -0.05 -0.02 0.00 0.09 0.00 0.00 58.65 58.36 2dnx h GLN 111 Cb 2.08 -0.19 0.00 0.00 0.08 0.00 0.00 27.48 29.46 2dnx h GLN 111 CO 0.20 0.55 -0.20 -0.09 0.09 0.00 0.00 178.83 179.38 2dnx h ARG 112 N 0.86 -0.54 -0.96 0.06 1.12 -1.21 -2.73 114.38 110.97 2dnx h ARG 112 Ca 0.35 0.04 0.30 0.00 -1.11 0.00 0.00 59.98 59.56 2dnx h ARG 112 Cb 0.27 0.12 -0.15 0.00 -0.01 0.00 0.00 29.97 30.21 2dnx h ARG 112 CO -0.13 -0.36 0.43 0.00 -3.11 0.00 0.00 179.97 176.80 2dnx h ARG 113 N -0.78 0.24 0.14 0.20 2.47 -1.45 0.27 114.38 115.48 2dnx h ARG 113 Ca -0.06 -0.01 0.02 0.00 -1.26 0.00 0.00 59.98 58.67 2dnx h ARG 113 Cb 0.43 -0.05 -0.04 0.00 -1.65 0.00 0.00 29.97 28.65 2dnx h ARG 113 CO 0.09 0.16 -0.40 0.28 0.56 0.00 0.00 179.97 180.67 2dnx h VAL 114 N 0.25 0.19 -0.37 2.04 2.07 -1.06 -0.96 116.25 118.40 2dnx h VAL 114 Ca 0.68 0.00 0.08 0.00 0.82 0.00 0.00 66.70 68.28 2dnx h VAL 114 Cb 1.51 0.19 -0.08 0.00 -1.52 0.00 0.00 31.29 31.38 2dnx h VAL 114 CO -0.65 0.00 -0.24 0.28 0.02 0.00 0.00 177.57 176.98 2dnx h SER 115 N -0.65 -0.78 -1.02 0.57 0.02 -0.19 0.24 113.55 111.74 2dnx h SER 115 Ca 0.02 0.16 0.26 0.00 -0.84 0.00 0.00 61.79 61.39 2dnx h SER 115 Cb 0.67 0.40 -0.12 0.00 0.14 0.00 0.00 62.40 63.48 2dnx h SER 115 CO -0.22 -0.26 0.61 -0.08 -1.14 0.00 0.00 176.83 175.74 2dnx h GLU 116 N -0.18 0.50 -0.29 3.45 4.22 -0.67 1.31 114.58 122.92 2dnx h GLU 116 Ca 0.18 -0.03 -0.08 0.00 0.08 0.00 0.00 59.36 59.51 2dnx h GLU 116 Cb 0.46 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 2dnx h GLU 116 CO -0.48 0.33 -0.15 -0.22 -2.18 0.00 0.00 179.01 176.32 2dnx h LYS 117 N 0.51 0.61 0.00 1.92 1.63 0.72 -0.70 116.57 121.26 2dnx h LYS 117 Ca 0.65 -0.27 -0.07 0.00 -0.85 0.00 0.00 60.65 60.11 2dnx h LYS 117 Cb 1.35 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.96 2dnx h LYS 117 CO -0.46 0.85 -0.33 0.93 -3.45 0.00 0.00 179.45 176.98 2dnx h GLU 118 N 0.35 0.00 -0.12 1.90 4.39 0.19 -2.46 114.58 118.83 2dnx h GLU 118 Ca 0.06 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.56 2dnx h GLU 118 Cb 0.67 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.32 2dnx h GLU 118 CO 0.04 0.33 -0.76 0.87 -1.16 0.00 0.00 179.01 178.34 2dnx h LYS 119 N 0.00 0.61 0.08 2.33 1.57 0.17 -3.05 116.57 118.29 2dnx h LYS 119 Ca -0.00 -0.50 -0.00 0.00 -1.87 0.00 0.00 60.65 58.27 2dnx h LYS 119 Cb 0.67 0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.08 2dnx h LYS 119 CO 0.04 1.12 -0.04 0.93 -0.57 0.00 0.00 179.45 180.93 2dnx h GLU 120 N 0.42 -0.11 -0.04 3.15 4.39 -0.71 0.39 114.58 122.07 2dnx h GLU 120 Ca -0.04 0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.68 2dnx h GLU 120 Cb 1.36 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 30.01 2dnx h GLU 120 CO 0.14 -0.01 -0.22 0.77 -1.16 0.00 0.00 179.01 178.53 2dnx h SER 121 N -0.18 -0.70 0.14 1.42 0.02 -1.48 -3.12 113.55 109.66 2dnx h SER 121 Ca -0.01 0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 61.02 2dnx h SER 121 Cb 0.15 0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.95 2dnx h SER 121 CO 0.02 -0.20 -0.13 0.40 -1.14 0.00 0.00 176.83 175.78 2dnx h ILE 122 N -0.25 0.00 -3.04 3.27 2.04 -1.53 -3.49 117.51 114.51 2dnx h ILE 122 Ca 0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.87 2dnx h ILE 122 Cb 0.28 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.36 2dnx h ILE 122 CO -0.17 0.00 -0.76 0.00 0.00 0.00 0.00 178.15 177.22 2dnx n ALA 123 N -2.36 -1.81 -2.90 1.87 0.00 0.14 -5.02 120.51 110.41 2dnx n ALA 123 Ca -0.03 0.38 -0.01 0.00 0.00 0.00 0.00 53.44 53.77 2dnx n ALA 123 Cb 0.12 -1.26 0.01 0.00 0.00 0.00 0.00 19.45 18.32 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 -4.42 0.75 -0.07 0.00 3.52 -1.26 -5.07 118.95 112.39 2dnx s ARG 124 Ca 0.00 -0.54 -0.05 0.00 -0.13 0.00 0.00 55.73 55.01 2dnx s ARG 124 Cb 0.00 0.02 0.02 0.00 -1.56 0.00 0.00 34.95 33.43 2dnx s ARG 124 CO 0.00 -0.99 0.11 0.43 -0.81 0.00 0.00 175.30 174.04 2dnx n SER 125 N 3.50 -4.20 0.00 -2.12 7.64 -1.26 -4.92 113.62 112.26 2dnx n SER 125 Ca 0.13 1.28 0.00 0.00 1.01 0.00 0.00 58.87 61.29 2dnx n SER 125 Cb 0.59 -4.39 0.00 0.00 -1.01 0.00 0.00 64.21 59.39 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 1.41 0.80 3.78 0.23 0.00 -1.26 -5.11 105.19 105.05 2dnx n GLY 126 Ca -0.18 -0.23 -0.29 0.00 0.00 0.00 0.00 46.02 45.31 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 0.00 0.66 -0.30 1.61 0.04 -1.26 -5.08 135.00 130.67 2dnx s PRO 127 Ca 0.00 0.11 -0.14 0.00 0.04 0.00 0.00 61.00 61.00 2dnx s PRO 127 Cb 0.00 -1.80 0.18 0.00 0.04 0.00 0.00 34.50 32.92 2dnx s PRO 127 CO 0.00 -2.49 1.13 -1.12 0.04 0.00 0.00 177.00 174.57 2dnx s SER 128 N -4.16 -0.18 -0.01 6.66 0.01 -1.26 -4.81 113.70 109.95 2dnx s SER 128 Ca 0.67 0.01 -0.22 0.00 1.31 0.00 0.00 55.95 57.72 2dnx s SER 128 Cb -0.12 1.06 -0.13 0.00 0.21 0.00 0.00 66.02 67.04 2dnx s SER 128 CO 0.54 -0.03 0.95 0.77 0.41 0.00 0.00 173.24 175.88 2dnx h SER 129 N 6.99 -0.51 0.00 2.44 4.64 -1.98 -3.55 113.55 121.58 2dnx h SER 129 Ca -0.10 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 2dnx h SER 129 Cb 1.18 0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 2dnx h SER 129 CO -0.14 -0.10 0.00 0.61 -0.87 0.00 0.00 176.83 176.33