#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dlx s SER 2 N 0.00 -0.49 -1.33 1.61 1.04 -1.26 -4.96 113.70 108.30 2dlx s SER 2 Ca 0.00 -0.11 -0.07 0.00 0.48 0.00 0.00 55.95 56.25 2dlx s SER 2 Cb 0.00 0.60 0.01 0.00 0.10 0.00 0.00 66.02 66.73 2dlx s SER 2 CO 0.00 -1.00 1.15 -1.20 0.98 0.00 0.00 173.24 173.17 2dlx n SER 3 N -0.38 -5.56 -4.03 7.02 7.64 -1.26 -4.95 113.62 112.09 2dlx n SER 3 Ca -0.14 -0.56 -0.33 0.00 1.01 0.00 0.00 58.87 58.85 2dlx n SER 3 Cb 0.64 -5.03 -0.08 0.00 -1.01 0.00 0.00 64.21 58.72 2dlx n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dlx s GLY 4 N -3.51 3.05 -0.04 0.23 0.00 -1.26 -5.03 107.32 100.76 2dlx s GLY 4 Ca 0.48 -3.86 0.00 0.00 0.00 0.00 0.00 44.72 41.34 2dlx s GLY 4 CO 0.73 1.15 -0.01 -1.35 0.00 0.00 0.00 173.10 173.63 2dlx s SER 5 N -0.65 0.67 0.24 1.64 1.04 -1.26 -5.14 113.70 110.23 2dlx s SER 5 Ca 0.27 -0.05 -0.20 0.00 0.48 0.00 0.00 55.95 56.45 2dlx s SER 5 Cb -0.06 -0.29 0.03 0.00 0.10 0.00 0.00 66.02 65.80 2dlx s SER 5 CO -0.14 -0.10 0.63 -0.55 0.98 0.00 0.00 173.24 174.05 2dlx s SER 6 N 1.12 -0.29 0.00 7.02 0.15 -1.26 -5.05 113.70 115.39 2dlx s SER 6 Ca -0.08 -0.51 0.00 0.00 0.70 0.00 0.00 55.95 56.06 2dlx s SER 6 Cb -0.14 0.66 0.00 0.00 -1.71 0.00 0.00 66.02 64.83 2dlx s SER 6 CO -0.02 -1.20 0.00 0.61 1.20 0.00 0.00 173.24 173.84 2dlx n GLY 7 N -0.41 0.70 2.84 9.45 0.00 -1.26 -5.14 105.19 111.37 2dlx n GLY 7 Ca -0.07 -0.34 -0.17 0.00 0.00 0.00 0.00 46.02 45.44 2dlx n GLY 7 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2dlx s ILE 8 N -0.76 0.21 0.01 -0.61 -4.36 -1.26 -5.15 121.20 109.28 2dlx s ILE 8 Ca 0.00 0.04 -0.17 0.00 -0.26 0.00 0.00 60.65 60.26 2dlx s ILE 8 Cb 0.00 -0.28 0.03 0.00 1.25 0.00 0.00 42.46 43.46 2dlx s ILE 8 CO 0.00 0.14 0.37 1.51 0.24 0.00 0.00 174.94 177.20 2dlx s ASP 9 N 0.83 -0.24 -0.17 4.36 -4.77 -1.26 -5.15 116.67 110.26 2dlx s ASP 9 Ca -0.09 0.06 -0.04 0.00 -3.30 0.00 0.00 52.55 49.18 2dlx s ASP 9 Cb -0.12 0.37 0.08 0.00 -1.09 0.00 0.00 42.92 42.17 2dlx s ASP 9 CO -0.01 -0.56 0.25 -0.54 0.70 0.00 0.00 175.17 175.01 2dlx s LYS 10 N -1.91 0.18 -0.10 2.11 -0.14 -1.26 -5.14 119.74 113.48 2dlx s LYS 10 Ca -0.09 0.49 -0.09 0.00 -1.36 0.00 0.00 55.97 54.91 2dlx s LYS 10 Cb -0.03 -0.59 0.03 0.00 -1.68 0.00 0.00 37.83 35.56 2dlx s LYS 10 CO 0.01 -0.48 0.27 0.21 -0.76 0.00 0.00 175.35 174.60 2dlx s LYS 11 N 2.39 0.30 -0.16 1.68 2.20 -1.26 -5.15 119.74 119.74 2dlx s LYS 11 Ca 0.05 0.39 -0.06 0.00 -0.36 0.00 0.00 55.97 55.99 2dlx s LYS 11 Cb -0.14 0.13 0.07 0.00 -1.51 0.00 0.00 37.83 36.38 2dlx s LYS 11 CO -0.11 -0.05 0.35 -0.51 -0.36 0.00 0.00 175.35 174.68 2dlx s LEU 12 N 0.25 -0.34 0.32 5.43 1.43 -1.26 -5.16 118.68 119.34 2dlx s LEU 12 Ca -0.01 0.81 -0.12 0.00 -1.03 0.00 0.00 54.13 53.78 2dlx s LEU 12 Cb -0.03 1.09 0.02 0.00 0.03 0.00 0.00 46.19 47.30 2dlx s LEU 12 CO -0.01 -0.22 0.59 0.42 0.23 0.00 0.00 176.35 177.36 2dlx s THR 13 N 2.21 0.00 0.21 5.49 -4.23 -1.26 -5.13 115.64 112.93 2dlx s THR 13 Ca -0.03 -1.31 -0.32 0.00 -1.18 0.00 0.00 61.69 58.85 2dlx s THR 13 Cb -0.11 -2.48 -0.13 0.00 1.34 0.00 0.00 72.50 71.11 2dlx s THR 13 CO -0.11 0.00 1.57 0.41 -0.54 0.00 0.00 174.62 175.95 2dlx n THR 14 N -0.48 0.39 0.32 3.99 -1.04 -1.26 -4.88 114.28 111.31 2dlx n THR 14 Ca -0.03 -0.10 0.03 0.00 -2.04 0.00 0.00 64.05 61.92 2dlx n THR 14 Cb 0.61 -1.68 -0.02 0.00 -1.82 0.00 0.00 70.33 67.41 2dlx n THR 14 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2dlx n LEU 15 N 3.02 0.58 -3.65 -4.42 -0.00 -1.26 -4.97 117.00 106.31 2dlx n LEU 15 Ca 0.14 -0.60 -0.03 0.00 -0.00 0.00 0.00 56.01 55.52 2dlx n LEU 15 Cb 0.32 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.68 2dlx n LEU 15 CO 0.63 0.13 0.21 0.00 -0.00 0.00 0.00 177.39 178.36 2dlx s ALA 16 N -1.44 -1.80 -0.14 1.47 0.00 -1.26 -5.07 121.76 113.53 2dlx s ALA 16 Ca 0.04 2.14 -0.09 0.00 0.00 0.00 0.00 51.96 54.04 2dlx s ALA 16 Cb 0.05 -1.62 -0.06 0.00 0.00 0.00 0.00 23.12 21.49 2dlx s ALA 16 CO 0.24 -0.83 0.01 0.38 0.00 0.00 0.00 175.76 175.56 2dlx h ASP 17 N 7.94 0.00 -3.34 0.00 2.03 -2.03 -3.46 116.42 117.55 2dlx h ASP 17 Ca -0.19 -0.15 -0.65 0.00 -0.73 0.00 0.00 57.03 55.31 2dlx h ASP 17 Cb 1.11 0.00 -0.26 0.00 -0.83 0.00 0.00 39.33 39.36 2dlx h ASP 17 CO 0.11 0.78 -0.72 -0.22 -1.03 0.00 0.00 179.24 178.17 2dlx s LEU 18 N -8.29 2.94 0.09 0.15 2.96 -1.26 -5.03 118.68 110.24 2dlx s LEU 18 Ca -0.12 -0.29 -0.26 0.00 -0.22 0.00 0.00 54.13 53.24 2dlx s LEU 18 Cb 0.01 -1.70 -0.10 0.00 0.50 0.00 0.00 46.19 44.90 2dlx s LEU 18 CO 0.23 0.11 1.42 -0.26 -1.32 0.00 0.00 176.35 176.53 2dlx h PHE 19 N 7.16 -1.23 -2.78 5.38 -1.00 -2.04 -3.44 116.94 118.99 2dlx h PHE 19 Ca -0.32 0.04 -0.13 0.00 2.81 0.00 0.00 57.97 60.37 2dlx h PHE 19 Cb 1.19 0.54 -0.24 0.00 3.61 0.00 0.00 35.95 41.05 2dlx h PHE 19 CO 0.54 -0.43 -0.26 -0.98 -1.61 0.00 0.00 178.31 175.57 2dlx s ARG 20 N -5.09 0.45 0.44 1.51 1.70 -1.26 -5.16 118.95 111.55 2dlx s ARG 20 Ca -0.12 0.56 -0.24 0.00 -0.47 0.00 0.00 55.73 55.46 2dlx s ARG 20 Cb 0.05 0.21 -0.08 0.00 -0.57 0.00 0.00 34.95 34.57 2dlx s ARG 20 CO 0.47 -0.06 1.17 -1.25 -1.08 0.00 0.00 175.30 174.55 2dlx s PRO 21 N 0.26 3.86 0.00 3.89 0.04 -1.26 -4.91 135.00 136.88 2dlx s PRO 21 Ca -0.00 1.81 0.15 0.00 0.04 0.00 0.00 61.00 63.00 2dlx s PRO 21 Cb -0.03 -2.51 0.87 0.00 0.04 0.00 0.00 34.50 32.87 2dlx s PRO 21 CO -0.00 -0.47 1.36 -0.35 0.04 0.00 0.00 177.00 177.58 2dlx n PRO 22 N -0.27 0.40 -2.74 0.56 -0.04 -1.26 -4.83 135.00 126.82 2dlx n PRO 22 Ca 0.06 0.05 -0.08 0.00 -0.04 0.00 0.00 63.50 63.49 2dlx n PRO 22 Cb 0.47 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.42 2dlx n PRO 22 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 2dlx n ILE 23 N -1.09 0.00 -0.17 0.52 -5.35 -1.26 -4.74 119.36 107.26 2dlx n ILE 23 Ca 0.10 0.00 -0.04 0.00 -0.27 0.00 0.00 62.75 62.54 2dlx n ILE 23 Cb 0.07 -0.09 0.03 0.00 -1.74 0.00 0.00 39.64 37.91 2dlx n ILE 23 CO 0.00 0.00 0.00 -0.78 -1.76 0.00 0.00 176.55 174.01 2dlx h ASP 24 N -0.16 -0.82 0.00 7.28 3.58 -2.03 -3.26 116.42 121.01 2dlx h ASP 24 Ca -0.11 0.19 -0.03 0.00 0.42 0.00 0.00 57.03 57.49 2dlx h ASP 24 Cb 0.99 0.45 -0.01 0.00 1.72 0.00 0.00 39.33 42.48 2dlx h ASP 24 CO 0.17 -0.26 -1.26 -0.11 -2.88 0.00 0.00 179.24 174.91 2dlx n LEU 25 N -5.42 0.00 -4.88 2.28 7.94 -1.26 -5.03 117.00 110.63 2dlx n LEU 25 Ca 0.05 0.00 -0.31 0.00 -1.11 0.00 0.00 56.01 54.64 2dlx n LEU 25 Cb 0.33 0.05 -0.04 0.00 0.53 0.00 0.00 43.42 44.28 2dlx n LEU 25 CO 0.05 0.05 0.32 -0.32 -1.11 0.00 0.00 177.39 176.38 2dlx s MET 26 N -2.24 3.79 -0.25 1.96 1.75 -1.23 -4.42 119.30 118.65 2dlx s MET 26 Ca -0.02 0.34 -0.03 0.00 -1.25 0.00 0.00 55.69 54.72 2dlx s MET 26 Cb 0.02 -2.52 0.10 0.00 2.84 0.00 0.00 34.83 35.27 2dlx s MET 26 CO 0.19 0.15 0.17 -1.01 -0.65 0.00 0.00 175.02 173.87 2dlx s HIS 27 N -2.10 0.04 -0.43 4.11 3.76 -1.23 -4.45 115.29 114.99 2dlx s HIS 27 Ca 0.49 -0.45 0.15 0.00 -0.15 0.00 0.00 55.06 55.10 2dlx s HIS 27 Cb -0.11 -0.68 0.47 0.00 1.11 0.00 0.00 32.58 33.37 2dlx s HIS 27 CO 0.26 -0.75 1.38 0.36 -0.85 0.00 0.00 174.74 175.14 2dlx n LYS 28 N 5.28 2.96 0.00 1.40 2.85 -1.26 -3.99 118.16 125.40 2dlx n LYS 28 Ca -0.05 -2.60 0.00 0.00 -1.05 0.00 0.00 58.31 54.61 2dlx n LYS 28 Cb 0.45 -1.67 0.00 0.00 -0.65 0.00 0.00 35.03 33.16 2dlx n LYS 28 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2dlx n GLY 29 N -0.13 -2.83 3.76 2.58 0.00 -1.26 -4.96 105.19 102.34 2dlx n GLY 29 Ca 0.18 -1.35 -0.40 0.00 0.00 0.00 0.00 46.02 44.45 2dlx n GLY 29 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dlx s SER 30 N -1.69 7.37 0.18 1.61 0.01 -1.26 -4.91 113.70 115.00 2dlx s SER 30 Ca 0.00 2.14 -0.13 0.00 1.31 0.00 0.00 55.95 59.28 2dlx s SER 30 Cb 0.00 -2.62 0.20 0.00 0.21 0.00 0.00 66.02 63.81 2dlx s SER 30 CO 0.00 -0.06 1.18 2.22 0.41 0.00 0.00 173.24 176.99 2dlx n PHE 31 N 1.20 0.05 -0.31 2.43 -1.74 -1.26 0.22 117.46 118.05 2dlx n PHE 31 Ca -0.01 0.93 0.12 0.00 -0.56 0.00 0.00 57.45 57.94 2dlx n PHE 31 Cb 0.46 -0.80 0.30 0.00 1.52 0.00 0.00 39.48 40.96 2dlx n PHE 31 CO 0.00 0.00 0.00 1.05 -0.56 0.00 0.00 176.76 177.25 2dlx h GLU 32 N 0.00 0.50 -0.20 3.97 4.11 -2.01 -1.70 114.58 119.25 2dlx h GLU 32 Ca 0.27 -0.03 0.05 0.00 0.07 0.00 0.00 59.36 59.72 2dlx h GLU 32 Cb 0.46 -0.11 -0.07 0.00 0.50 0.00 0.00 28.75 29.53 2dlx h GLU 32 CO -0.76 0.33 -0.42 1.15 0.07 0.00 0.00 179.01 179.38 2dlx h THR 33 N 0.51 0.14 -0.95 -1.06 2.02 0.23 -0.28 112.91 113.52 2dlx h THR 33 Ca 0.55 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.81 2dlx h THR 33 Cb 0.96 0.14 -0.11 0.00 -1.74 0.00 0.00 68.15 67.40 2dlx h THR 33 CO -0.47 0.00 -0.56 0.00 0.37 0.00 0.00 175.52 174.86 2dlx n ALA 34 N -2.96 -0.61 -0.06 6.16 0.00 -0.64 -0.29 120.51 122.12 2dlx n ALA 34 Ca -0.03 0.81 -0.09 0.00 0.00 0.00 0.00 53.44 54.13 2dlx n ALA 34 Cb 0.36 -0.13 -0.02 0.00 0.00 0.00 0.00 19.45 19.66 2dlx n ALA 34 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2dlx h LYS 35 N 0.00 0.19 -0.34 0.00 1.57 -1.48 -2.41 116.57 114.10 2dlx h LYS 35 Ca 0.15 -0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.99 2dlx h LYS 35 Cb 0.39 -0.04 -0.08 0.00 0.08 0.00 0.00 32.23 32.58 2dlx h LYS 35 CO -0.89 0.12 -0.28 0.93 -0.57 0.00 0.00 179.45 178.76 2dlx h GLU 36 N 0.19 -0.23 -0.47 3.15 4.39 0.10 -1.40 114.58 120.32 2dlx h GLU 36 Ca 0.10 0.02 0.08 0.00 0.34 0.00 0.00 59.36 59.90 2dlx h GLU 36 Cb 0.07 0.05 -0.07 0.00 -0.10 0.00 0.00 28.75 28.70 2dlx h GLU 36 CO -0.10 -0.15 0.06 0.00 -1.16 0.00 0.00 179.01 177.65 2dlx h GLY 38 N 0.18 1.27 0.07 0.00 0.00 -0.76 0.31 103.07 104.14 2dlx h GLY 38 Ca 0.23 -0.21 -0.00 0.00 0.00 0.00 0.00 47.33 47.35 2dlx h GLY 38 CO -0.34 -0.15 -0.04 1.46 0.00 0.00 0.00 176.54 177.48 2dlx h GLN 39 N 0.41 -0.10 -0.91 4.80 4.20 -0.86 0.70 115.11 123.35 2dlx h GLN 39 Ca 0.60 0.01 0.24 0.00 0.06 0.00 0.00 58.65 59.55 2dlx h GLN 39 Cb 1.49 0.02 -0.13 0.00 0.30 0.00 0.00 27.48 29.16 2dlx h GLN 39 CO -0.31 -0.06 0.38 0.00 -0.67 0.00 0.00 178.83 178.17 2dlx h MET 40 N -0.68 0.34 0.00 1.46 -0.00 -1.03 0.51 114.93 115.53 2dlx h MET 40 Ca -0.01 -0.02 -0.02 0.00 -0.00 0.00 0.00 59.70 59.65 2dlx h MET 40 Cb 0.08 -0.08 -0.00 0.00 -0.00 0.00 0.00 31.60 31.60 2dlx h MET 40 CO 0.02 0.22 -0.56 1.96 -0.00 0.00 0.00 176.91 178.55 2dlx h GLN 41 N 0.35 0.00 -4.07 -0.10 1.08 -0.52 -3.48 115.11 108.37 2dlx h GLN 41 Ca 0.58 0.00 -0.22 0.00 -1.45 0.00 0.00 58.65 57.56 2dlx h GLN 41 Cb 1.15 0.00 0.09 0.00 -0.05 0.00 0.00 27.48 28.68 2dlx h GLN 41 CO -0.57 0.05 -0.44 0.09 -0.95 0.00 0.00 178.83 177.01 2dlx n ASN 42 N -2.91 -3.20 -4.33 1.46 3.02 0.18 -4.99 115.26 104.49 2dlx n ASN 42 Ca 0.01 -0.35 -0.17 0.00 -0.03 0.00 0.00 54.58 54.04 2dlx n ASN 42 Cb 0.57 -3.26 -0.10 0.00 -0.61 0.00 0.00 39.78 36.37 2dlx n ASN 42 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2dlx s LYS 43 N -5.26 1.33 0.66 3.52 1.02 0.21 -2.90 119.74 118.32 2dlx s LYS 43 Ca 0.16 -1.67 -0.11 0.00 0.02 0.00 0.00 55.97 54.37 2dlx s LYS 43 Cb -0.07 -0.61 -0.01 0.00 -0.52 0.00 0.00 37.83 36.61 2dlx s LYS 43 CO 0.44 -0.09 1.05 -1.58 -0.92 0.00 0.00 175.35 174.24 2dlx s TRP 44 N -3.42 3.28 0.10 3.18 0.52 -0.96 -4.46 118.94 117.18 2dlx s TRP 44 Ca 0.28 1.39 0.03 0.00 0.02 0.00 0.00 56.10 57.82 2dlx s TRP 44 Cb 0.06 -2.84 -0.04 0.00 -1.15 0.00 0.00 33.47 29.50 2dlx s TRP 44 CO 0.08 -1.02 0.13 -1.17 0.02 0.00 0.00 176.95 174.99 2dlx s LEU 45 N -5.30 3.94 -0.21 2.99 2.96 -1.23 -1.31 118.68 120.52 2dlx s LEU 45 Ca 0.57 0.03 -0.04 0.00 -0.22 0.00 0.00 54.13 54.47 2dlx s LEU 45 Cb -0.13 -2.58 0.09 0.00 0.50 0.00 0.00 46.19 44.07 2dlx s LEU 45 CO 0.52 0.14 0.21 -0.32 -1.32 0.00 0.00 176.35 175.59 2dlx s MET 46 N -2.62 0.19 -0.03 1.98 1.75 -1.13 -3.72 119.30 115.73 2dlx s MET 46 Ca 0.31 0.13 -0.01 0.00 -1.25 0.00 0.00 55.69 54.87 2dlx s MET 46 Cb -0.12 -1.22 -0.04 0.00 2.84 0.00 0.00 34.83 36.29 2dlx s MET 46 CO 0.24 -0.70 0.08 0.42 -0.65 0.00 0.00 175.02 174.41 2dlx s ILE 47 N 2.31 4.76 -0.13 10.11 1.01 -1.23 -1.35 121.20 136.68 2dlx s ILE 47 Ca 0.07 -0.32 -0.07 0.00 0.00 0.00 0.00 60.65 60.32 2dlx s ILE 47 Cb -0.16 -3.14 0.05 0.00 0.01 0.00 0.00 42.46 39.22 2dlx s ILE 47 CO -0.14 0.41 0.31 0.21 0.00 0.00 0.00 174.94 175.73 2dlx s ASN 48 N -1.55 -0.35 -0.10 3.58 2.47 -0.09 -3.87 114.94 115.02 2dlx s ASN 48 Ca 0.21 0.65 -0.16 0.00 0.42 0.00 0.00 52.86 53.98 2dlx s ASN 48 Cb -0.12 0.56 -0.05 0.00 -1.45 0.00 0.00 41.25 40.19 2dlx s ASN 48 CO 0.11 -0.16 0.40 -0.63 -3.72 0.00 0.00 177.10 173.11 2dlx s ILE 49 N 1.09 5.19 -0.15 -5.21 -1.09 -1.25 -3.06 121.20 116.71 2dlx s ILE 49 Ca -0.08 0.80 -0.05 0.00 -2.23 0.00 0.00 60.65 59.09 2dlx s ILE 49 Cb -0.08 -3.73 -0.03 0.00 -1.58 0.00 0.00 42.46 37.03 2dlx s ILE 49 CO -0.08 0.41 0.02 -1.58 -1.23 0.00 0.00 174.94 172.47 2dlx s GLN 50 N 0.16 3.69 0.38 2.79 0.74 -1.25 -4.79 119.66 121.38 2dlx s GLN 50 Ca 0.23 -0.41 -0.21 0.00 0.05 0.00 0.00 55.36 55.01 2dlx s GLN 50 Cb -0.15 -3.03 -0.10 0.00 1.10 0.00 0.00 33.01 30.83 2dlx s GLN 50 CO 0.09 0.35 0.90 -0.80 -0.55 0.00 0.00 175.29 175.28 2dlx s ASN 51 N 0.11 7.00 -0.15 6.67 0.01 -1.26 -4.01 114.94 123.30 2dlx s ASN 51 Ca 0.02 1.63 0.12 0.00 -0.71 0.00 0.00 52.86 53.93 2dlx s ASN 51 Cb -0.13 -2.51 -0.18 0.00 0.41 0.00 0.00 41.25 38.84 2dlx s ASN 51 CO 0.02 -0.25 0.03 0.55 -1.51 0.00 0.00 177.10 175.93 2dlx n VAL 52 N -0.27 1.04 -0.04 1.60 3.14 -1.26 -4.74 118.33 117.79 2dlx n VAL 52 Ca 0.05 -0.61 -0.05 0.00 -2.96 0.00 0.00 64.34 60.76 2dlx n VAL 52 Cb 0.53 -0.67 -0.04 0.00 -1.06 0.00 0.00 33.84 32.60 2dlx n VAL 52 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2dlx n GLN 53 N -2.62 0.79 -0.97 1.45 6.02 -1.26 -5.04 117.38 115.76 2dlx n GLN 53 Ca -0.26 0.04 -0.30 0.00 -0.01 0.00 0.00 57.00 56.48 2dlx n GLN 53 Cb 0.97 -1.17 0.17 0.00 1.02 0.00 0.00 30.24 31.24 2dlx n GLN 53 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2dlx s ASP 54 N -4.60 2.75 -0.08 1.08 1.01 -1.26 -5.00 116.67 110.57 2dlx s ASP 54 Ca -0.10 1.59 0.05 0.00 0.71 0.00 0.00 52.55 54.81 2dlx s ASP 54 Cb 0.03 -2.25 -0.09 0.00 1.01 0.00 0.00 42.92 41.62 2dlx s ASP 54 CO 0.21 -3.11 -0.01 2.22 0.21 0.00 0.00 175.17 174.69 2dlx n PHE 55 N -4.20 0.00 -0.23 4.23 -1.74 -1.26 -4.68 117.46 109.59 2dlx n PHE 55 Ca 0.07 0.00 0.04 0.00 -0.56 0.00 0.00 57.45 56.99 2dlx n PHE 55 Cb 0.55 -0.39 0.09 0.00 1.52 0.00 0.00 39.48 41.25 2dlx n PHE 55 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2dlx n ALA 56 N -2.44 0.15 0.38 1.98 0.00 -1.26 0.72 120.51 120.03 2dlx n ALA 56 Ca -0.14 0.69 -0.18 0.00 0.00 0.00 0.00 53.44 53.80 2dlx n ALA 56 Cb 0.73 -0.41 -0.09 0.00 0.00 0.00 0.00 19.45 19.68 2dlx n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dlx n GLN 58 N -5.52 -0.27 -0.34 0.00 1.13 0.22 0.10 117.38 112.70 2dlx n GLN 58 Ca -0.14 1.18 0.02 0.00 -1.94 0.00 0.00 57.00 56.12 2dlx n GLN 58 Cb 0.40 -1.75 0.08 0.00 0.11 0.00 0.00 30.24 29.09 2dlx n GLN 58 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2dlx h LEU 60 N -0.02 -0.17 -1.73 0.00 3.38 -0.28 -2.27 115.31 114.22 2dlx h LEU 60 Ca 0.39 0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.44 2dlx h LEU 60 Cb 0.64 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 2dlx h LEU 60 CO -0.95 -0.10 0.51 -1.13 0.09 0.00 0.00 178.44 176.86 2dlx h ASN 61 N -0.16 0.00 -0.49 -0.43 -0.73 -0.54 0.22 115.58 113.44 2dlx h ASN 61 Ca -0.01 0.00 0.05 0.00 1.87 0.00 0.00 56.30 58.21 2dlx h ASN 61 Cb 0.13 0.00 -0.07 0.00 0.27 0.00 0.00 38.32 38.64 2dlx h ASN 61 CO 0.01 0.00 -0.44 -0.09 -0.37 0.00 0.00 177.43 176.54 2dlx h ARG 62 N 0.00 -0.19 0.00 6.67 2.43 0.11 -2.47 114.38 120.93 2dlx h ARG 62 Ca 0.12 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.26 2dlx h ARG 62 Cb 1.15 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.73 2dlx h ARG 62 CO -0.00 -0.12 -1.16 -0.25 -1.51 0.00 0.00 179.97 176.93 2dlx n ASP 63 N -4.76 4.43 0.04 -3.80 9.92 -0.97 -4.34 116.55 117.07 2dlx n ASP 63 Ca -0.01 -0.00 -0.02 0.00 -0.53 0.00 0.00 54.79 54.23 2dlx n ASP 63 Cb 0.24 0.54 -0.01 0.00 -0.64 0.00 0.00 41.12 41.26 2dlx n ASP 63 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 2dlx h VAL 64 N 0.00 0.00 -0.15 2.53 2.07 -0.72 -0.84 116.25 119.13 2dlx h VAL 64 Ca -0.06 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.45 2dlx h VAL 64 Cb 1.14 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 2dlx h VAL 64 CO 0.00 0.00 0.00 0.79 0.02 0.00 0.00 177.57 178.38 2dlx n TRP 65 N -2.31 0.43 -0.07 1.57 5.03 -1.22 -3.57 117.44 117.30 2dlx n TRP 65 Ca -0.01 -0.16 -0.08 0.00 3.03 0.00 0.00 57.50 60.27 2dlx n TRP 65 Cb 0.04 -0.14 -0.07 0.00 -1.03 0.00 0.00 31.31 30.11 2dlx n TRP 65 CO 0.00 0.00 0.00 0.45 -0.03 0.00 0.00 177.69 178.11 2dlx n SER 66 N 0.11 2.71 -4.66 -0.99 2.88 -0.93 -4.91 113.62 107.83 2dlx n SER 66 Ca 0.07 -0.05 -0.50 0.00 -1.33 0.00 0.00 58.87 57.05 2dlx n SER 66 Cb 0.38 0.10 -0.05 0.00 -0.75 0.00 0.00 64.21 63.89 2dlx n SER 66 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2dlx n ASN 67 N -2.75 2.65 -0.10 -3.46 2.85 -0.33 -4.87 115.26 109.26 2dlx n ASN 67 Ca -0.23 1.07 -0.06 0.00 -0.11 0.00 0.00 54.58 55.26 2dlx n ASN 67 Cb 0.80 -1.30 0.01 0.00 1.24 0.00 0.00 39.78 40.52 2dlx n ASN 67 CO 0.00 0.00 0.00 -0.08 -2.11 0.00 0.00 177.26 175.07 2dlx h GLU 68 N 6.42 0.06 -0.47 1.20 4.81 -1.93 -2.22 114.58 122.46 2dlx h GLU 68 Ca -0.47 -0.00 0.10 0.00 -0.13 0.00 0.00 59.36 58.86 2dlx h GLU 68 Cb 1.29 -0.01 -0.10 0.00 0.63 0.00 0.00 28.75 30.56 2dlx h GLU 68 CO 0.88 0.04 -0.19 0.00 -0.73 0.00 0.00 179.01 179.01 2dlx h ALA 69 N 1.32 0.17 -0.52 2.92 0.00 -1.98 0.99 119.26 122.16 2dlx h ALA 69 Ca 0.17 0.17 0.09 0.00 0.00 0.00 0.00 54.91 55.33 2dlx h ALA 69 Cb 0.24 0.49 -0.07 0.00 0.00 0.00 0.00 17.79 18.45 2dlx h ALA 69 CO -0.31 -0.53 0.13 0.28 0.00 0.00 0.00 179.25 178.82 2dlx h VAL 70 N -0.09 0.74 0.76 0.00 2.07 -1.73 -1.61 116.25 116.39 2dlx h VAL 70 Ca 0.22 -0.10 -0.04 0.00 0.82 0.00 0.00 66.70 67.61 2dlx h VAL 70 Cb 0.44 0.44 0.01 0.00 -1.52 0.00 0.00 31.29 30.65 2dlx h VAL 70 CO -0.53 0.05 -0.37 0.11 0.02 0.00 0.00 177.57 176.85 2dlx h LYS 71 N 0.28 -0.99 -1.29 1.57 1.57 -0.75 0.33 116.57 117.29 2dlx h LYS 71 Ca 0.26 0.07 0.37 0.00 -1.87 0.00 0.00 60.65 59.48 2dlx h LYS 71 Cb 0.34 0.22 -0.05 0.00 0.08 0.00 0.00 32.23 32.82 2dlx h LYS 71 CO -0.31 -0.64 0.94 -0.91 -0.57 0.00 0.00 179.45 177.95 2dlx h ASN 72 N -1.13 0.00 0.09 0.86 2.35 -0.62 0.32 115.58 117.45 2dlx h ASN 72 Ca -0.10 0.00 -0.24 0.00 -0.55 0.00 0.00 56.30 55.40 2dlx h ASN 72 Cb 0.80 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.17 2dlx h ASN 72 CO 0.17 0.00 -1.23 0.40 -1.65 0.00 0.00 177.43 175.12 2dlx h ILE 73 N 0.00 1.11 0.00 2.81 2.04 -0.89 -2.96 117.51 119.62 2dlx h ILE 73 Ca 0.61 -2.37 0.00 0.00 1.00 0.00 0.00 64.86 64.10 2dlx h ILE 73 Cb 2.48 2.73 0.00 0.00 -0.74 0.00 0.00 36.82 41.29 2dlx h ILE 73 CO -0.01 0.64 0.00 -0.38 0.00 0.00 0.00 178.15 178.41 2dlx n ILE 74 N -4.06 1.02 -0.10 -0.67 5.41 0.11 -0.78 119.36 120.28 2dlx n ILE 74 Ca -0.24 0.25 -0.15 0.00 1.00 0.00 0.00 62.75 63.62 2dlx n ILE 74 Cb 0.83 -1.05 -0.14 0.00 -0.71 0.00 0.00 39.64 38.57 2dlx n ILE 74 CO 0.00 0.00 0.00 -2.11 0.00 0.00 0.00 176.55 174.44 2dlx n ARG 75 N -1.43 0.67 -0.03 0.38 1.85 0.85 -1.77 116.66 117.18 2dlx n ARG 75 Ca 0.04 0.10 -0.02 0.00 -1.00 0.00 0.00 57.85 56.97 2dlx n ARG 75 Cb 0.13 -1.54 -0.01 0.00 -1.05 0.00 0.00 32.46 29.99 2dlx n ARG 75 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 2dlx n GLU 76 N -3.06 0.17 -0.15 2.89 0.00 -1.01 -4.54 120.64 114.94 2dlx n GLU 76 Ca -0.39 0.36 -0.08 0.00 0.00 0.00 0.00 57.16 57.05 2dlx n GLU 76 Cb 1.06 -1.11 0.01 0.00 0.00 0.00 0.00 31.44 31.40 2dlx n GLU 76 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 2dlx h HIS 77 N -0.38 0.59 -0.77 4.31 3.86 -1.21 -3.45 115.15 118.09 2dlx h HIS 77 Ca 0.00 0.00 -0.66 0.00 -1.16 0.00 0.00 60.37 58.55 2dlx h HIS 77 Cb 0.19 -0.19 -0.13 0.00 1.06 0.00 0.00 27.41 28.34 2dlx h HIS 77 CO -0.08 0.40 -0.54 -0.06 0.86 0.00 0.00 177.93 178.50 2dlx s PHE 78 N -6.04 2.07 -0.37 2.45 0.40 -1.05 -2.26 117.98 113.18 2dlx s PHE 78 Ca -0.13 -0.86 -0.04 0.00 -0.60 0.00 0.00 56.93 55.29 2dlx s PHE 78 Cb 0.11 -1.67 0.08 0.00 0.51 0.00 0.00 43.02 42.06 2dlx s PHE 78 CO 0.74 0.30 0.14 0.42 0.70 0.00 0.00 175.22 177.52 2dlx s ILE 79 N -2.82 3.43 -0.21 0.64 -1.09 -0.43 -3.08 121.20 117.65 2dlx s ILE 79 Ca 0.15 -1.63 -0.33 0.00 -2.23 0.00 0.00 60.65 56.61 2dlx s ILE 79 Cb 0.04 -3.15 -0.09 0.00 -1.58 0.00 0.00 42.46 37.68 2dlx s ILE 79 CO 0.08 -0.43 2.09 0.33 -1.23 0.00 0.00 174.94 175.78 2dlx n PHE 80 N 4.69 1.98 -3.75 3.97 7.35 -0.73 -2.82 117.46 128.15 2dlx n PHE 80 Ca -0.08 0.04 -0.29 0.00 -0.76 0.00 0.00 57.45 56.36 2dlx n PHE 80 Cb 0.43 -2.64 -0.16 0.00 0.35 0.00 0.00 39.48 37.45 2dlx n PHE 80 CO 0.00 0.00 0.00 -0.46 -0.76 0.00 0.00 176.76 175.54 2dlx s TRP 81 N 6.48 1.35 0.00 -5.13 -0.00 -0.46 -3.47 118.94 117.71 2dlx s TRP 81 Ca 1.01 -1.21 0.07 0.00 -0.00 0.00 0.00 56.10 55.97 2dlx s TRP 81 Cb -0.63 -1.28 -0.02 0.00 -0.00 0.00 0.00 33.47 31.54 2dlx s TRP 81 CO 0.46 -0.71 -0.22 -1.14 -0.00 0.00 0.00 176.95 175.33 2dlx s GLN 82 N 1.75 1.68 -0.21 5.86 0.74 -1.26 -0.92 119.66 127.30 2dlx s GLN 82 Ca 0.02 -0.83 -0.14 0.00 0.05 0.00 0.00 55.36 54.46 2dlx s GLN 82 Cb -0.17 -1.67 0.06 0.00 1.10 0.00 0.00 33.01 32.33 2dlx s GLN 82 CO -0.14 0.45 0.53 0.14 -0.55 0.00 0.00 175.29 175.72 2dlx s VAL 83 N -0.59 -0.01 0.67 1.34 -7.23 -1.17 -4.71 120.40 108.69 2dlx s VAL 83 Ca 0.08 0.04 -0.17 0.00 -1.81 0.00 0.00 61.98 60.12 2dlx s VAL 83 Cb -0.09 -0.77 -0.02 0.00 0.56 0.00 0.00 36.38 36.07 2dlx s VAL 83 CO -0.00 0.02 0.99 -1.22 -0.31 0.00 0.00 175.10 174.58 2dlx n TYR 84 N 3.91 0.83 -0.13 2.82 4.02 -1.26 -3.88 117.16 123.47 2dlx n TYR 84 Ca -0.20 0.41 -0.12 0.00 -0.01 0.00 0.00 57.90 57.98 2dlx n TYR 84 Cb 0.57 -2.12 -0.02 0.00 -0.02 0.00 0.00 39.34 37.75 2dlx n TYR 84 CO 0.00 0.00 0.00 1.12 -1.01 0.00 0.00 176.86 176.97 2dlx h HIS 85 N 0.11 0.98 -0.84 -0.72 2.07 -1.91 -3.08 115.15 111.76 2dlx h HIS 85 Ca -0.48 -0.25 0.12 0.00 -2.85 0.00 0.00 60.37 56.91 2dlx h HIS 85 Cb 1.35 -0.22 -0.08 0.00 2.57 0.00 0.00 27.41 31.02 2dlx h HIS 85 CO 0.39 1.02 0.46 0.38 -3.07 0.00 0.00 177.93 177.10 2dlx h ASP 86 N 0.65 0.61 -3.34 3.10 2.03 -1.92 -2.69 116.42 114.86 2dlx h ASP 86 Ca 0.08 0.07 -0.56 0.00 -0.73 0.00 0.00 57.03 55.90 2dlx h ASP 86 Cb 0.78 -0.04 0.19 0.00 -0.83 0.00 0.00 39.33 39.43 2dlx h ASP 86 CO 0.06 0.31 -0.33 -1.54 -1.03 0.00 0.00 179.24 176.71 2dlx n SER 87 N -4.80 -1.00 -0.35 4.15 3.41 -1.17 -4.72 113.62 109.13 2dlx n SER 87 Ca 0.15 0.57 0.06 0.00 -0.26 0.00 0.00 58.87 59.40 2dlx n SER 87 Cb 0.35 -1.25 0.23 0.00 -0.26 0.00 0.00 64.21 63.28 2dlx n SER 87 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 2dlx h GLU 88 N -0.51 0.93 -0.15 4.33 4.11 -1.87 -1.86 114.58 119.55 2dlx h GLU 88 Ca -0.45 -0.06 -0.00 0.00 0.07 0.00 0.00 59.36 58.92 2dlx h GLU 88 Cb 1.34 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.37 2dlx h GLU 88 CO 0.42 0.61 0.09 0.93 0.07 0.00 0.00 179.01 181.13 2dlx h GLU 89 N 0.96 0.21 -0.20 1.06 5.08 -1.89 -2.40 114.58 117.39 2dlx h GLU 89 Ca 0.48 -0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.87 2dlx h GLU 89 Cb 0.47 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.61 2dlx h GLU 89 CO -0.26 0.20 -0.23 0.78 -1.00 0.00 0.00 179.01 178.50 2dlx h GLY 90 N 0.15 -0.16 0.50 -3.84 0.00 -1.36 0.10 103.07 98.47 2dlx h GLY 90 Ca 0.05 0.28 0.03 0.00 0.00 0.00 0.00 47.33 47.69 2dlx h GLY 90 CO -0.01 -0.19 -0.20 1.46 0.00 0.00 0.00 176.54 177.59 2dlx h GLN 91 N -0.25 -0.31 -0.35 4.80 1.08 -1.12 -1.84 115.11 117.13 2dlx h GLN 91 Ca 0.12 0.02 0.06 0.00 -1.45 0.00 0.00 58.65 57.40 2dlx h GLN 91 Cb 0.44 0.07 -0.05 0.00 -0.05 0.00 0.00 27.48 27.89 2dlx h GLN 91 CO -0.35 -0.20 0.04 0.00 -0.95 0.00 0.00 178.83 177.37 2dlx h ARG 92 N -0.32 0.14 -0.89 1.46 3.08 -1.02 -1.70 114.38 115.13 2dlx h ARG 92 Ca 0.06 -0.01 0.15 0.00 0.07 0.00 0.00 59.98 60.26 2dlx h ARG 92 Cb 0.40 -0.03 -0.10 0.00 0.08 0.00 0.00 29.97 30.33 2dlx h ARG 92 CO -0.20 0.09 0.48 -0.92 -1.07 0.00 0.00 179.97 178.36 2dlx h TYR 93 N 0.15 0.85 -0.50 3.04 3.20 -0.38 0.22 116.97 123.55 2dlx h TYR 93 Ca 0.17 0.03 0.03 0.00 3.14 0.00 0.00 58.73 62.10 2dlx h TYR 93 Cb 0.21 -0.24 -0.04 0.00 1.54 0.00 0.00 36.73 38.20 2dlx h TYR 93 CO -0.21 0.21 0.28 0.82 -1.64 0.00 0.00 178.16 177.63 2dlx h ILE 94 N 0.68 1.02 0.00 1.81 2.04 -0.48 -1.81 117.51 120.77 2dlx h ILE 94 Ca 0.49 -0.19 -0.07 0.00 1.00 0.00 0.00 64.86 66.08 2dlx h ILE 94 Cb 0.68 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 2dlx h ILE 94 CO -0.36 0.10 -0.33 1.56 0.00 0.00 0.00 178.15 179.12 2dlx h GLN 95 N 0.56 0.00 0.00 2.37 4.20 -0.87 0.98 115.11 122.35 2dlx h GLN 95 Ca 0.21 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.92 2dlx h GLN 95 Cb 0.05 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.83 2dlx h GLN 95 CO -0.11 0.33 0.00 0.34 -0.67 0.00 0.00 178.83 178.72 2dlx n PHE 96 N -3.38 0.00 -0.77 2.96 -0.00 0.63 -3.45 117.46 113.45 2dlx n PHE 96 Ca 0.01 0.00 0.08 0.00 -0.00 0.00 0.00 57.45 57.53 2dlx n PHE 96 Cb 0.53 -0.45 0.18 0.00 -0.00 0.00 0.00 39.48 39.75 2dlx n PHE 96 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 2dlx n TYR 97 N -2.47 0.51 -3.19 -5.13 4.02 -1.23 -4.97 117.16 104.70 2dlx n TYR 97 Ca 0.00 -0.80 -0.15 0.00 -0.01 0.00 0.00 57.90 56.94 2dlx n TYR 97 Cb 0.00 -0.19 0.07 0.00 -0.02 0.00 0.00 39.34 39.20 2dlx n TYR 97 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 2dlx n LYS 98 N -0.57 -5.51 -0.20 -0.72 4.76 0.11 -4.84 118.16 111.20 2dlx n LYS 98 Ca 0.16 0.68 0.14 0.00 -2.87 0.00 0.00 58.31 56.42 2dlx n LYS 98 Cb 0.68 -5.20 0.27 0.00 -1.84 0.00 0.00 35.03 28.94 2dlx n LYS 98 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 2dlx n LEU 99 N -3.62 0.08 0.00 -0.35 0.00 0.09 -4.73 117.00 108.47 2dlx n LEU 99 Ca -0.18 1.00 0.00 0.00 0.00 0.00 0.00 56.01 56.83 2dlx n LEU 99 Cb 0.62 -0.43 0.00 0.00 0.00 0.00 0.00 43.42 43.61 2dlx n LEU 99 CO 0.49 -1.07 0.00 0.61 0.00 0.00 0.00 177.39 177.42 2dlx n GLY 100 N -1.22 2.11 3.82 -3.96 0.00 -1.26 -4.84 105.19 99.83 2dlx n GLY 100 Ca 0.19 -0.18 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 2dlx n GLY 100 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2dlx s ASP 101 N 0.00 -0.03 0.29 1.61 2.15 -1.26 -5.17 116.67 114.25 2dlx s ASP 101 Ca 0.00 -1.03 0.09 0.00 0.43 0.00 0.00 52.55 52.04 2dlx s ASP 101 Cb 0.00 0.80 -0.04 0.00 -0.30 0.00 0.00 42.92 43.38 2dlx s ASP 101 CO 0.00 -1.58 0.08 -0.36 -0.17 0.00 0.00 175.17 173.14 2dlx s PHE 102 N -2.51 2.77 0.46 -5.34 0.08 -1.26 -4.02 117.98 108.16 2dlx s PHE 102 Ca 0.15 -0.25 -0.23 0.00 0.12 0.00 0.00 56.93 56.72 2dlx s PHE 102 Cb -0.05 -1.37 -0.07 0.00 -0.57 0.00 0.00 43.02 40.96 2dlx s PHE 102 CO 0.10 0.52 1.17 -1.25 -0.10 0.00 0.00 175.22 175.65 2dlx s PRO 103 N -3.76 3.78 -0.05 0.24 0.04 -1.26 -4.99 135.00 128.99 2dlx s PRO 103 Ca 0.34 1.78 -0.01 0.00 0.04 0.00 0.00 61.00 63.15 2dlx s PRO 103 Cb -0.05 -2.42 0.03 0.00 0.04 0.00 0.00 34.50 32.09 2dlx s PRO 103 CO 0.22 -0.54 0.01 -0.47 0.04 0.00 0.00 177.00 176.25 2dlx s TYR 104 N -1.54 0.51 -0.07 0.56 6.14 -1.26 -4.60 117.35 117.09 2dlx s TYR 104 Ca 0.63 -0.07 -0.05 0.00 0.64 0.00 0.00 57.07 58.22 2dlx s TYR 104 Cb -0.29 -0.65 0.02 0.00 0.42 0.00 0.00 41.96 41.46 2dlx s TYR 104 CO 0.35 -0.25 0.17 0.08 0.64 0.00 0.00 175.55 176.54 2dlx s VAL 105 N 1.68 -0.01 0.27 3.14 1.01 -0.62 -3.89 120.40 121.98 2dlx s VAL 105 Ca 0.00 0.05 -0.15 0.00 0.00 0.00 0.00 61.98 61.89 2dlx s VAL 105 Cb -0.13 -0.26 0.01 0.00 0.00 0.00 0.00 36.38 36.00 2dlx s VAL 105 CO -0.04 0.02 0.56 -0.94 0.00 0.00 0.00 175.10 174.71 2dlx s SER 106 N 0.45 -0.09 -0.16 3.32 1.04 -1.25 0.18 113.70 117.18 2dlx s SER 106 Ca -0.03 -0.87 0.01 0.00 0.48 0.00 0.00 55.95 55.54 2dlx s SER 106 Cb -0.04 0.65 0.02 0.00 0.10 0.00 0.00 66.02 66.74 2dlx s SER 106 CO -0.02 -1.24 -0.19 -0.63 0.98 0.00 0.00 173.24 172.14 2dlx s ILE 107 N -3.86 1.94 0.23 -1.02 1.01 -1.22 -3.54 121.20 114.73 2dlx s ILE 107 Ca 0.19 -0.88 0.07 0.00 0.00 0.00 0.00 60.65 60.03 2dlx s ILE 107 Cb -0.02 -1.76 -0.04 0.00 0.01 0.00 0.00 42.46 40.65 2dlx s ILE 107 CO 0.09 0.52 0.17 -0.76 0.00 0.00 0.00 174.94 174.96 2dlx s LEU 108 N 1.20 3.78 -0.25 2.97 1.43 -1.24 -3.33 118.68 123.23 2dlx s LEU 108 Ca 0.02 -0.24 -0.15 0.00 -1.03 0.00 0.00 54.13 52.73 2dlx s LEU 108 Cb -0.14 -2.33 -0.04 0.00 0.03 0.00 0.00 46.19 43.71 2dlx s LEU 108 CO -0.09 -0.01 0.39 -0.62 0.23 0.00 0.00 176.35 176.25 2dlx s ASP 109 N -3.62 6.30 0.01 2.29 2.15 -1.23 -3.47 116.67 119.11 2dlx s ASP 109 Ca 0.32 0.35 0.15 0.00 0.43 0.00 0.00 52.55 53.80 2dlx s ASP 109 Cb -0.08 -2.22 0.62 0.00 -0.30 0.00 0.00 42.92 40.94 2dlx s ASP 109 CO 0.24 -0.16 1.47 -0.81 -0.17 0.00 0.00 175.17 175.74 2dlx n PRO 110 N 5.13 0.01 -0.08 4.34 -0.04 -1.26 0.94 135.00 144.04 2dlx n PRO 110 Ca -0.08 0.26 -0.10 0.00 -0.04 0.00 0.00 63.50 63.54 2dlx n PRO 110 Cb 0.51 -1.52 -0.05 0.00 -0.04 0.00 0.00 33.50 32.40 2dlx n PRO 110 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2dlx h ARG 111 N 0.00 0.00 0.04 0.54 3.08 -1.92 -3.43 114.38 112.69 2dlx h ARG 111 Ca 0.00 0.00 -0.38 0.00 0.07 0.00 0.00 59.98 59.67 2dlx h ARG 111 Cb 0.25 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.25 2dlx h ARG 111 CO 0.00 0.33 -2.21 0.25 -1.07 0.00 0.00 179.97 177.27 2dlx n THR 112 N -4.56 1.60 -1.19 2.04 -2.24 -1.22 -5.03 114.28 103.69 2dlx n THR 112 Ca -0.15 -0.52 0.00 0.00 -2.27 0.00 0.00 64.05 61.10 2dlx n THR 112 Cb 0.40 -1.65 0.00 0.00 -2.10 0.00 0.00 70.33 66.98 2dlx n THR 112 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2dlx n GLY 113 N 1.96 1.06 3.48 3.38 0.00 0.27 -5.01 105.19 110.32 2dlx n GLY 113 Ca -0.41 -0.43 -0.32 0.00 0.00 0.00 0.00 46.02 44.86 2dlx n GLY 113 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2dlx s GLN 114 N -2.64 2.38 -0.17 1.61 0.74 -1.26 -4.82 119.66 115.51 2dlx s GLN 114 Ca 0.00 -0.78 -0.29 0.00 0.05 0.00 0.00 55.36 54.34 2dlx s GLN 114 Cb 0.00 -2.33 -0.04 0.00 1.10 0.00 0.00 33.01 31.74 2dlx s GLN 114 CO 0.00 0.60 1.83 0.21 -0.55 0.00 0.00 175.29 177.38 2dlx s LYS 115 N -0.99 3.70 -0.22 1.67 2.20 -1.26 -3.52 119.74 121.32 2dlx s LYS 115 Ca 0.13 1.94 -0.07 0.00 -0.36 0.00 0.00 55.97 57.61 2dlx s LYS 115 Cb -0.11 -4.14 -0.19 0.00 -1.51 0.00 0.00 37.83 31.88 2dlx s LYS 115 CO 0.02 -1.43 -0.03 1.28 -0.36 0.00 0.00 175.35 174.84 2dlx n LEU 116 N 9.06 2.52 -4.30 5.43 4.77 -1.21 -5.02 117.00 128.25 2dlx n LEU 116 Ca 0.22 0.13 -0.16 0.00 -0.03 0.00 0.00 56.01 56.17 2dlx n LEU 116 Cb 0.44 -0.96 -0.10 0.00 -2.33 0.00 0.00 43.42 40.47 2dlx n LEU 116 CO 0.66 0.75 -0.31 0.68 -1.33 0.00 0.00 177.39 177.84 2dlx s VAL 117 N -2.51 0.80 -0.18 4.08 -7.23 -1.25 -5.07 120.40 109.05 2dlx s VAL 117 Ca -0.32 -2.01 -0.12 0.00 -1.81 0.00 0.00 61.98 57.73 2dlx s VAL 117 Cb 0.09 -2.35 0.05 0.00 0.56 0.00 0.00 36.38 34.74 2dlx s VAL 117 CO 0.62 -0.29 0.45 -1.83 -0.31 0.00 0.00 175.10 173.74 2dlx s GLU 118 N -3.92 0.47 -0.14 4.82 -1.05 -1.26 -3.46 118.70 114.15 2dlx s GLU 118 Ca 0.29 0.75 -0.02 0.00 -0.15 0.00 0.00 54.97 55.84 2dlx s GLU 118 Cb 0.06 0.10 0.05 0.00 -0.44 0.00 0.00 34.13 33.90 2dlx s GLU 118 CO 0.08 -0.12 0.02 -1.58 0.95 0.00 0.00 175.26 174.62 2dlx s TRP 119 N 0.94 0.83 -0.14 4.83 0.51 0.13 -5.00 118.94 121.04 2dlx s TRP 119 Ca -0.06 -0.55 -0.25 0.00 -2.12 0.00 0.00 56.10 53.13 2dlx s TRP 119 Cb -0.06 -0.92 -0.22 0.00 -0.81 0.00 0.00 33.47 31.46 2dlx s TRP 119 CO -0.08 -0.49 0.60 1.25 -0.51 0.00 0.00 176.95 177.73 2dlx h HIS 120 N 8.29 0.00 -3.80 -1.98 2.76 -1.83 -1.65 115.15 116.94 2dlx h HIS 120 Ca -0.18 0.00 -0.68 0.00 -2.20 0.00 0.00 60.37 57.32 2dlx h HIS 120 Cb 1.12 0.00 -0.35 0.00 1.55 0.00 0.00 27.41 29.73 2dlx h HIS 120 CO 0.35 0.93 -0.76 -1.14 -1.30 0.00 0.00 177.93 176.01 2dlx s GLN 121 N -2.16 2.35 0.46 5.26 2.00 -1.26 -4.23 119.66 122.08 2dlx s GLN 121 Ca -0.18 -1.29 0.07 0.00 -2.00 0.00 0.00 55.36 51.96 2dlx s GLN 121 Cb -0.02 -3.00 -0.00 0.00 0.80 0.00 0.00 33.01 30.80 2dlx s GLN 121 CO 0.59 -0.58 0.39 -0.51 -0.50 0.00 0.00 175.29 174.69 2dlx s LEU 122 N 1.17 3.15 0.25 3.68 1.43 -1.26 -5.04 118.68 122.06 2dlx s LEU 122 Ca -0.07 -0.93 -0.14 0.00 -1.03 0.00 0.00 54.13 51.96 2dlx s LEU 122 Cb -0.20 -1.71 0.00 0.00 0.03 0.00 0.00 46.19 44.31 2dlx s LEU 122 CO -0.04 -0.81 0.51 -0.62 0.23 0.00 0.00 176.35 175.62 2dlx s ASP 123 N -4.18 -0.12 0.08 2.29 -1.08 -1.26 -4.94 116.67 107.45 2dlx s ASP 123 Ca 0.44 -0.86 -0.35 0.00 -0.52 0.00 0.00 52.55 51.26 2dlx s ASP 123 Cb -0.02 0.60 -0.17 0.00 -1.46 0.00 0.00 42.92 41.86 2dlx s ASP 123 CO 0.26 -1.16 1.54 0.58 0.52 0.00 0.00 175.17 176.92 2dlx h VAL 124 N 2.22 0.00 0.06 1.11 2.07 -1.90 0.46 116.25 120.27 2dlx h VAL 124 Ca -0.25 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.26 2dlx h VAL 124 Cb 1.25 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 2dlx h VAL 124 CO 0.34 0.00 -0.03 -1.28 0.02 0.00 0.00 177.57 176.62 2dlx h SER 125 N -1.05 -0.07 0.25 0.57 0.87 -1.99 -2.93 113.55 109.20 2dlx h SER 125 Ca -0.08 -0.33 0.00 0.00 -1.23 0.00 0.00 61.79 60.16 2dlx h SER 125 Cb 0.89 0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 62.83 2dlx h SER 125 CO -0.01 0.30 -0.51 0.28 -0.53 0.00 0.00 176.83 176.36 2dlx h SER 126 N -0.45 -1.48 -0.71 6.23 0.02 -1.96 0.18 113.55 115.38 2dlx h SER 126 Ca -0.01 0.14 0.09 0.00 -0.84 0.00 0.00 61.79 61.18 2dlx h SER 126 Cb 0.40 0.53 -0.11 0.00 0.14 0.00 0.00 62.40 63.35 2dlx h SER 126 CO 0.01 -0.59 -0.47 0.15 -1.14 0.00 0.00 176.83 174.79 2dlx h PHE 127 N -0.83 -1.43 0.65 3.45 3.57 -0.16 0.17 116.94 122.37 2dlx h PHE 127 Ca -0.02 0.10 -0.03 0.00 3.53 0.00 0.00 57.97 61.55 2dlx h PHE 127 Cb 0.79 0.72 -0.00 0.00 2.79 0.00 0.00 35.95 40.25 2dlx h PHE 127 CO -0.37 -0.42 -0.41 -0.07 -2.23 0.00 0.00 178.31 174.81 2dlx h LEU 128 N -0.17 -1.03 -0.94 0.59 3.38 -1.29 0.30 115.31 116.16 2dlx h LEU 128 Ca 0.19 0.06 0.19 0.00 0.09 0.00 0.00 57.88 58.41 2dlx h LEU 128 Cb 0.54 0.30 -0.18 0.00 0.09 0.00 0.00 40.66 41.42 2dlx h LEU 128 CO -0.78 -0.62 -0.21 -0.78 0.09 0.00 0.00 178.44 176.14 2dlx h ASP 129 N -0.99 -0.83 0.41 -0.43 1.82 -0.05 0.24 116.42 116.59 2dlx h ASP 129 Ca -0.09 0.28 -0.02 0.00 -0.39 0.00 0.00 57.03 56.81 2dlx h ASP 129 Cb 0.80 0.57 0.00 0.00 0.68 0.00 0.00 39.33 41.38 2dlx h ASP 129 CO 0.08 -0.31 -0.20 1.56 -1.61 0.00 0.00 179.24 178.76 2dlx h GLN 130 N 0.00 -0.54 -0.87 0.28 4.20 -0.47 -2.71 115.11 115.00 2dlx h GLN 130 Ca 0.46 0.04 0.09 0.00 0.06 0.00 0.00 58.65 59.30 2dlx h GLN 130 Cb 0.73 0.12 -0.12 0.00 0.30 0.00 0.00 27.48 28.52 2dlx h GLN 130 CO -0.96 -0.36 -0.56 0.28 -0.67 0.00 0.00 178.83 176.57 2dlx h VAL 131 N -0.78 0.00 -0.78 -0.54 2.07 0.36 0.32 116.25 116.91 2dlx h VAL 131 Ca -0.06 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.64 2dlx h VAL 131 Cb 0.43 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.08 2dlx h VAL 131 CO 0.09 0.00 0.21 0.71 0.02 0.00 0.00 177.57 178.60 2dlx h THR 132 N -0.08 0.47 -0.33 2.57 1.35 -0.66 0.47 112.91 116.69 2dlx h THR 132 Ca 0.16 -0.09 -0.00 0.00 -0.55 0.00 0.00 66.41 65.93 2dlx h THR 132 Cb 0.47 0.17 -0.02 0.00 -1.73 0.00 0.00 68.15 67.05 2dlx h THR 132 CO -0.87 0.05 0.20 1.23 -0.25 0.00 0.00 175.52 175.88 2dlx h GLY 133 N 0.27 0.49 0.95 5.82 0.00 -0.10 0.06 103.07 110.56 2dlx h GLY 133 Ca 0.45 -0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.57 2dlx h GLY 133 CO -0.54 0.20 0.15 -2.75 0.00 0.00 0.00 176.54 173.60 2dlx h PHE 134 N 0.43 0.41 -0.37 5.60 3.04 0.47 0.47 116.94 126.99 2dlx h PHE 134 Ca 0.12 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.05 2dlx h PHE 134 Cb 0.02 -0.13 -0.02 0.00 2.56 0.00 0.00 35.95 38.38 2dlx h PHE 134 CO -0.04 0.35 0.21 -0.07 -2.02 0.00 0.00 178.31 176.74 2dlx h LEU 135 N 0.35 0.46 -0.70 0.59 3.38 -0.83 0.35 115.31 118.91 2dlx h LEU 135 Ca 0.10 -0.08 -0.14 0.00 0.09 0.00 0.00 57.88 57.86 2dlx h LEU 135 Cb 0.08 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 2dlx h LEU 135 CO -0.02 0.41 -0.59 1.23 0.09 0.00 0.00 178.44 179.56 2dlx h GLY 136 N 0.48 0.21 0.18 0.83 0.00 -0.81 -0.85 103.07 103.09 2dlx h GLY 136 Ca 0.13 -0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.20 2dlx h GLY 136 CO -0.02 0.22 -0.08 0.83 0.00 0.00 0.00 176.54 177.49 2dlx h GLU 137 N 0.14 -0.23 0.00 4.80 3.07 0.22 -3.42 114.58 119.16 2dlx h GLU 137 Ca -0.00 0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 2dlx h GLU 137 Cb 1.08 0.05 0.00 0.00 -0.84 0.00 0.00 28.75 29.04 2dlx h GLU 137 CO 0.09 -0.15 -0.02 0.45 -1.40 0.00 0.00 179.01 177.98 2dlx h HIS 138 N -0.92 0.00 0.00 4.33 3.86 -0.43 -3.51 115.15 118.48 2dlx h HIS 138 Ca -0.02 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 2dlx h HIS 138 Cb 0.18 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.65 2dlx h HIS 138 CO 0.01 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.21 2dlx n GLY 139 N 1.91 2.80 3.46 2.45 0.00 -0.33 -5.02 105.19 110.47 2dlx n GLY 139 Ca -0.00 -1.63 -0.30 0.00 0.00 0.00 0.00 46.02 44.09 2dlx n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dlx n GLN 140 N 0.82 -2.00 -2.24 1.61 10.64 -1.26 -4.94 117.38 120.01 2dlx n GLN 140 Ca 0.00 -0.55 -0.36 0.00 -1.83 0.00 0.00 57.00 54.26 2dlx n GLN 140 Cb 0.00 -2.10 -0.00 0.00 -0.86 0.00 0.00 30.24 27.27 2dlx n GLN 140 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 2dlx s LEU 141 N -5.92 3.92 0.00 2.61 1.02 -1.14 -5.04 118.68 114.13 2dlx s LEU 141 Ca 0.66 2.28 0.08 0.00 0.02 0.00 0.00 54.13 57.18 2dlx s LEU 141 Cb -0.23 -4.35 -0.02 0.00 0.02 0.00 0.00 46.19 41.61 2dlx s LEU 141 CO 0.65 -1.04 -0.25 -0.62 0.02 0.00 0.00 176.35 175.10 2dlx s ASP 142 N -1.47 2.99 0.00 2.29 2.15 -1.26 -4.67 116.67 116.70 2dlx s ASP 142 Ca 0.67 -0.50 0.00 0.00 0.43 0.00 0.00 52.55 53.15 2dlx s ASP 142 Cb -0.28 -0.31 0.00 0.00 -0.30 0.00 0.00 42.92 42.03 2dlx s ASP 142 CO 0.33 0.29 0.00 0.61 -0.17 0.00 0.00 175.17 176.22 2dlx n GLY 143 N 2.22 -1.94 3.64 2.66 0.00 -1.26 -5.07 105.19 105.44 2dlx n GLY 143 Ca -0.16 0.73 -0.39 0.00 0.00 0.00 0.00 46.02 46.20 2dlx n GLY 143 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dlx s LEU 144 N -0.00 4.11 -0.38 0.99 2.01 -1.26 -5.03 118.68 119.11 2dlx s LEU 144 Ca 0.00 0.43 -0.28 0.00 0.01 0.00 0.00 54.13 54.29 2dlx s LEU 144 Cb 0.00 -2.49 -0.01 0.00 0.01 0.00 0.00 46.19 43.71 2dlx s LEU 144 CO 0.00 -0.13 1.63 -0.55 1.01 0.00 0.00 176.35 178.31 2dlx s SER 145 N 1.28 6.06 -0.30 2.29 0.15 -1.26 -4.97 113.70 116.95 2dlx s SER 145 Ca 0.18 1.03 -0.01 0.00 0.70 0.00 0.00 55.95 57.85 2dlx s SER 145 Cb -0.15 -2.53 0.05 0.00 -1.71 0.00 0.00 66.02 61.68 2dlx s SER 145 CO 0.08 -1.62 -0.01 -0.55 1.20 0.00 0.00 173.24 172.34 2dlx s SER 146 N 5.22 4.82 -0.35 5.45 0.15 -1.26 -5.08 113.70 122.65 2dlx s SER 146 Ca 0.71 -1.34 -0.12 0.00 0.70 0.00 0.00 55.95 55.89 2dlx s SER 146 Cb -0.18 -1.68 -0.01 0.00 -1.71 0.00 0.00 66.02 62.44 2dlx s SER 146 CO 0.32 -0.26 0.23 -0.55 1.20 0.00 0.00 173.24 174.19 2dlx s SER 147 N 1.24 5.95 -0.16 5.45 0.15 -1.26 -5.05 113.70 120.02 2dlx s SER 147 Ca -0.05 -0.57 -0.07 0.00 0.70 0.00 0.00 55.95 55.96 2dlx s SER 147 Cb -0.20 -2.11 0.07 0.00 -1.71 0.00 0.00 66.02 62.07 2dlx s SER 147 CO -0.02 -0.28 0.36 -0.55 1.20 0.00 0.00 173.24 173.96 2dlx s SER 148 N 1.68 -0.29 0.00 5.45 0.15 -1.26 -5.08 113.70 114.35 2dlx s SER 148 Ca 0.05 0.81 0.00 0.00 0.70 0.00 0.00 55.95 57.52 2dlx s SER 148 Cb -0.18 0.84 0.00 0.00 -1.71 0.00 0.00 66.02 64.97 2dlx s SER 148 CO 0.09 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.94 2dlx n GLY 149 N 4.68 -0.93 2.80 9.45 0.00 -1.26 -5.09 105.19 114.84 2dlx n GLY 149 Ca -0.18 -0.86 -0.24 0.00 0.00 0.00 0.00 46.02 44.75 2dlx n GLY 149 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dlx n PRO 150 N 1.59 -2.72 -2.75 1.61 -0.04 -1.26 -4.96 135.00 126.48 2dlx n PRO 150 Ca 0.00 -1.40 -0.43 0.00 -0.04 0.00 0.00 63.50 61.63 2dlx n PRO 150 Cb 0.00 -1.31 -0.03 0.00 -0.04 0.00 0.00 33.50 32.12 2dlx n PRO 150 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2dlx s SER 151 N -3.86 6.56 -0.15 3.54 1.04 -1.26 -4.91 113.70 114.66 2dlx s SER 151 Ca 0.57 0.28 -0.14 0.00 0.48 0.00 0.00 55.95 57.14 2dlx s SER 151 Cb -0.06 -2.48 -0.11 0.00 0.10 0.00 0.00 66.02 63.48 2dlx s SER 151 CO 0.44 -1.09 0.14 0.77 0.98 0.00 0.00 173.24 174.48 2dlx h SER 152 N 9.05 0.00 -0.02 7.02 4.64 -2.04 -3.57 113.55 128.63 2dlx h SER 152 Ca -0.24 -0.32 0.00 0.00 -0.47 0.00 0.00 61.79 60.77 2dlx h SER 152 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 2dlx h SER 152 CO 1.05 0.92 0.00 0.61 -0.87 0.00 0.00 176.83 178.54