#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 0.01 -0.11 1.61 1.04 -1.26 -5.18 113.70 109.81 2dlx s SER 2 Ca 0.00 -0.79 -0.30 0.00 0.48 0.00 0.00 55.95 55.34 2dlx s SER 2 Cb 0.00 0.44 0.12 0.00 0.10 0.00 0.00 66.02 66.68 2dlx s SER 2 CO 0.00 -0.89 0.94 -0.44 0.98 0.00 0.00 173.24 173.83 2dlx s SER 3 N -2.94 -0.39 0.25 7.02 0.01 -1.26 -5.19 113.70 111.20 2dlx s SER 3 Ca 0.15 0.32 0.02 0.00 1.31 0.00 0.00 55.95 57.75 2dlx s SER 3 Cb 0.03 0.34 -0.01 0.00 0.21 0.00 0.00 66.02 66.59 2dlx s SER 3 CO -0.02 -0.44 0.28 0.61 0.41 0.00 0.00 173.24 174.09 2dlx n GLY 4 N 0.48 2.82 3.80 3.44 0.00 -1.26 -5.19 105.19 109.28 2dlx n GLY 4 Ca -0.10 -1.70 -0.05 0.00 0.00 0.00 0.00 46.02 44.17 2dlx n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dlx s SER 5 N -2.66 -0.18 0.32 1.61 0.01 -1.26 -5.19 113.70 106.35 2dlx s SER 5 Ca 0.26 -0.53 -0.04 0.00 1.31 0.00 0.00 55.95 56.94 2dlx s SER 5 Cb 0.00 0.58 0.00 0.00 0.21 0.00 0.00 66.02 66.82 2dlx s SER 5 CO 0.18 -1.09 0.46 -0.55 0.41 0.00 0.00 173.24 172.65 2dlx s SER 6 N -2.98 0.68 0.07 2.44 0.15 -1.26 -5.19 113.70 107.62 2dlx s SER 6 Ca 0.13 -1.38 -0.08 0.00 0.70 0.00 0.00 55.95 55.32 2dlx s SER 6 Cb -0.03 0.64 -0.00 0.00 -1.71 0.00 0.00 66.02 64.91 2dlx s SER 6 CO 0.04 -1.25 0.16 -0.83 1.20 0.00 0.00 173.24 172.56 2dlx s GLY 7 N -3.19 0.12 0.03 9.45 0.00 -1.26 -5.17 107.32 107.31 2dlx s GLY 7 Ca 0.29 -0.59 0.03 0.00 0.00 0.00 0.00 44.72 44.45 2dlx s GLY 7 CO 0.18 -0.77 -0.01 -1.50 0.00 0.00 0.00 173.10 171.00 2dlx s ILE 8 N -3.50 4.03 0.35 0.90 1.10 -1.26 -5.13 121.20 117.70 2dlx s ILE 8 Ca 0.02 -0.77 0.05 0.00 -0.51 0.00 0.00 60.65 59.44 2dlx s ILE 8 Cb 0.03 -2.84 -0.07 0.00 0.15 0.00 0.00 42.46 39.73 2dlx s ILE 8 CO -0.09 0.28 0.03 1.51 -2.11 0.00 0.00 174.94 174.56 2dlx s ASP 9 N -1.83 2.98 -0.46 4.50 1.47 -1.26 -5.11 116.67 116.96 2dlx s ASP 9 Ca 0.22 -1.36 -0.20 0.00 1.18 0.00 0.00 52.55 52.39 2dlx s ASP 9 Cb -0.12 -0.21 0.04 0.00 -0.34 0.00 0.00 42.92 42.29 2dlx s ASP 9 CO 0.13 -0.52 0.61 -0.54 0.68 0.00 0.00 175.17 175.53 2dlx s LYS 10 N -3.81 3.19 0.07 2.11 1.02 -1.26 -4.91 119.74 116.15 2dlx s LYS 10 Ca 0.35 -0.63 -0.07 0.00 0.02 0.00 0.00 55.97 55.65 2dlx s LYS 10 Cb 0.09 -4.01 -0.28 0.00 -0.52 0.00 0.00 37.83 33.11 2dlx s LYS 10 CO 0.16 -1.07 1.13 0.87 -0.92 0.00 0.00 175.35 175.52 2dlx h LYS 11 N 8.91 0.35 -7.00 1.68 1.57 -2.06 -3.46 116.57 116.56 2dlx h LYS 11 Ca -0.26 -0.57 -0.54 0.00 -1.87 0.00 0.00 60.65 57.41 2dlx h LYS 11 Cb 1.10 0.21 0.12 0.00 0.08 0.00 0.00 32.23 33.74 2dlx h LYS 11 CO 0.91 1.26 0.69 -0.51 -0.57 0.00 0.00 179.45 181.23 2dlx s LEU 12 N -7.33 4.07 0.09 2.94 1.43 -1.26 -5.03 118.68 113.60 2dlx s LEU 12 Ca -0.05 2.91 0.03 0.00 -1.03 0.00 0.00 54.13 55.99 2dlx s LEU 12 Cb 0.07 -3.98 -0.04 0.00 0.03 0.00 0.00 46.19 42.27 2dlx s LEU 12 CO 0.90 -1.25 -0.09 0.28 0.23 0.00 0.00 176.35 176.42 2dlx s THR 13 N -1.21 0.85 -0.03 5.49 -1.32 -1.26 -5.10 115.64 113.05 2dlx s THR 13 Ca 0.63 -1.67 -0.35 0.00 -1.21 0.00 0.00 61.69 59.08 2dlx s THR 13 Cb -0.43 -1.38 -0.14 0.00 -1.51 0.00 0.00 72.50 69.04 2dlx s THR 13 CO 0.55 -0.62 1.70 0.41 -2.21 0.00 0.00 174.62 174.45 2dlx n THR 14 N 0.48 0.29 -3.56 5.08 -1.04 -1.26 -4.94 114.28 109.33 2dlx n THR 14 Ca -0.16 -0.05 -0.11 0.00 -2.04 0.00 0.00 64.05 61.70 2dlx n THR 14 Cb 0.58 -1.52 -0.05 0.00 -1.82 0.00 0.00 70.33 67.52 2dlx n THR 14 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 2dlx s LEU 15 N 2.60 -0.39 0.53 -4.42 2.96 -1.26 -5.16 118.68 113.54 2dlx s LEU 15 Ca 0.89 0.35 -0.21 0.00 -0.22 0.00 0.00 54.13 54.94 2dlx s LEU 15 Cb -0.79 1.94 -0.06 0.00 0.50 0.00 0.00 46.19 47.79 2dlx s LEU 15 CO 0.50 -0.41 1.22 0.00 -1.32 0.00 0.00 176.35 176.33 2dlx s ALA 16 N -1.50 2.78 -0.08 5.97 0.00 -1.26 -5.00 121.76 122.67 2dlx s ALA 16 Ca -0.01 1.03 -0.07 0.00 0.00 0.00 0.00 51.96 52.91 2dlx s ALA 16 Cb -0.01 -3.44 -0.02 0.00 0.00 0.00 0.00 23.12 19.65 2dlx s ALA 16 CO 0.00 -0.98 -0.13 -0.25 0.00 0.00 0.00 175.76 174.40 2dlx n ASP 17 N -1.02 0.91 -4.95 0.00 9.92 -1.26 -5.02 116.55 115.14 2dlx n ASP 17 Ca 0.10 0.29 -0.23 0.00 -0.53 0.00 0.00 54.79 54.42 2dlx n ASP 17 Cb 0.48 -0.65 0.05 0.00 -0.64 0.00 0.00 41.12 40.37 2dlx n ASP 17 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2dlx s LEU 18 N -6.36 3.11 -0.03 0.64 1.02 -1.26 -5.04 118.68 110.75 2dlx s LEU 18 Ca -0.11 0.13 0.01 0.00 0.02 0.00 0.00 54.13 54.18 2dlx s LEU 18 Cb 0.01 -2.91 -0.02 0.00 0.02 0.00 0.00 46.19 43.29 2dlx s LEU 18 CO 0.16 -1.33 -0.02 0.49 0.02 0.00 0.00 176.35 175.68 2dlx n PHE 19 N -2.56 0.00 -2.14 0.29 3.01 -1.26 -5.04 117.46 109.76 2dlx n PHE 19 Ca 0.08 0.00 -0.37 0.00 1.01 0.00 0.00 57.45 58.17 2dlx n PHE 19 Cb 0.60 -0.11 0.01 0.00 -0.01 0.00 0.00 39.48 39.96 2dlx n PHE 19 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 2dlx s ARG 20 N -2.06 3.51 1.01 -1.08 0.52 -1.26 -5.02 118.95 114.58 2dlx s ARG 20 Ca -0.03 1.86 -0.12 0.00 -0.52 0.00 0.00 55.73 56.91 2dlx s ARG 20 Cb 0.01 -2.28 0.20 0.00 0.52 0.00 0.00 34.95 33.39 2dlx s ARG 20 CO 0.07 -0.78 1.09 -1.25 0.02 0.00 0.00 175.30 174.46 2dlx s PRO 21 N -2.87 0.31 0.00 3.54 0.04 -1.26 -4.90 135.00 129.86 2dlx s PRO 21 Ca 0.68 0.49 0.15 0.00 0.04 0.00 0.00 61.00 62.35 2dlx s PRO 21 Cb -0.31 -1.73 0.89 0.00 0.04 0.00 0.00 34.50 33.39 2dlx s PRO 21 CO 0.36 -2.81 1.30 -0.35 0.04 0.00 0.00 177.00 175.55 2dlx n PRO 22 N -4.22 0.49 -2.37 0.56 -0.04 -1.26 -4.82 135.00 123.33 2dlx n PRO 22 Ca 0.05 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.44 2dlx n PRO 22 Cb 0.57 -1.47 -0.01 0.00 -0.04 0.00 0.00 33.50 32.55 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 -0.97 0.00 -0.37 0.52 -5.35 -1.26 -4.71 119.36 107.22 2dlx n ILE 23 Ca 0.11 0.00 -0.02 0.00 -0.27 0.00 0.00 62.75 62.57 2dlx n ILE 23 Cb 0.05 -0.08 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 0.44 -1.76 0.00 0.00 176.55 175.23 2dlx h ASP 24 N -0.13 -1.45 0.00 7.28 3.32 -1.91 -3.10 116.42 120.42 2dlx h ASP 24 Ca -0.09 0.30 0.00 0.00 0.02 0.00 0.00 57.03 57.26 2dlx h ASP 24 Cb 0.82 0.75 0.00 0.00 0.22 0.00 0.00 39.33 41.12 2dlx h ASP 24 CO 0.14 -0.29 -0.23 -0.07 -1.72 0.00 0.00 179.24 177.07 2dlx h LEU 25 N -0.02 0.00 -9.82 1.55 3.38 -1.85 -3.42 115.31 105.13 2dlx h LEU 25 Ca 0.33 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.73 2dlx h LEU 25 Cb 0.59 0.00 0.16 0.00 0.09 0.00 0.00 40.66 41.50 2dlx h LEU 25 CO -0.96 0.53 0.11 0.23 0.09 0.00 0.00 178.44 178.44 2dlx n MET 26 N -4.26 0.89 -3.59 1.13 2.81 -1.17 -4.14 117.12 108.79 2dlx n MET 26 Ca -0.03 0.35 -0.17 0.00 -1.81 0.00 0.00 57.70 56.04 2dlx n MET 26 Cb 0.12 -2.15 -0.07 0.00 -0.71 0.00 0.00 33.22 30.41 2dlx n MET 26 CO 0.00 0.00 0.00 -1.01 1.51 0.00 0.00 175.97 176.47 2dlx s HIS 27 N -1.52 -0.54 0.20 2.03 3.76 -1.26 -4.72 115.29 113.24 2dlx s HIS 27 Ca 0.75 0.95 -0.32 0.00 -0.15 0.00 0.00 55.06 56.29 2dlx s HIS 27 Cb -0.42 0.32 -0.14 0.00 1.11 0.00 0.00 32.58 33.45 2dlx s HIS 27 CO 0.47 -0.54 1.32 1.17 -0.85 0.00 0.00 174.74 176.32 2dlx n LYS 28 N 1.13 1.65 -0.29 1.40 4.81 -1.26 -4.84 118.16 120.76 2dlx n LYS 28 Ca -0.19 0.59 0.17 0.00 -0.87 0.00 0.00 58.31 58.00 2dlx n LYS 28 Cb 0.57 -2.19 0.43 0.00 0.02 0.00 0.00 35.03 33.86 2dlx n LYS 28 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 2dlx h GLY 29 N 4.01 1.24 -5.17 3.14 0.00 -2.00 -3.42 103.07 100.86 2dlx h GLY 29 Ca -0.44 -0.26 -0.62 0.00 0.00 0.00 0.00 47.33 46.01 2dlx h GLY 29 CO 0.74 -0.02 0.69 1.44 0.00 0.00 0.00 176.54 179.40 2dlx n SER 30 N -4.61 2.62 0.16 0.19 7.64 -1.26 -4.91 113.62 113.45 2dlx n SER 30 Ca 0.21 1.09 -0.10 0.00 1.01 0.00 0.00 58.87 61.08 2dlx n SER 30 Cb 0.65 -1.34 -0.05 0.00 -1.01 0.00 0.00 64.21 62.45 2dlx n SER 30 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 2dlx h PHE 31 N 5.58 -0.45 -0.96 1.43 3.57 -1.96 -3.20 116.94 120.94 2dlx h PHE 31 Ca -0.46 -0.01 0.24 0.00 3.53 0.00 0.00 57.97 61.27 2dlx h PHE 31 Cb 1.28 0.15 -0.18 0.00 2.79 0.00 0.00 35.95 39.99 2dlx h PHE 31 CO 0.62 -0.18 -0.06 0.39 -2.23 0.00 0.00 178.31 176.86 2dlx n GLU 32 N -5.11 -0.08 -0.19 1.11 -0.58 -1.26 0.10 120.64 114.64 2dlx n GLU 32 Ca -0.08 1.46 -0.02 0.00 -0.42 0.00 0.00 57.16 58.10 2dlx n GLU 32 Cb 0.24 -2.27 0.09 0.00 -0.57 0.00 0.00 31.44 28.93 2dlx n GLU 32 CO 0.00 0.00 0.00 1.15 -0.48 0.00 0.00 177.13 177.80 2dlx h THR 33 N 0.00 0.84 -0.31 2.62 2.02 -1.93 -2.28 112.91 113.86 2dlx h THR 33 Ca 0.55 -0.15 0.07 0.00 0.77 0.00 0.00 66.41 67.65 2dlx h THR 33 Cb 1.05 0.36 -0.07 0.00 -1.74 0.00 0.00 68.15 67.75 2dlx h THR 33 CO -0.93 0.08 -0.17 0.00 0.37 0.00 0.00 175.52 174.87 2dlx h ALA 34 N 1.36 0.06 -0.06 6.16 0.00 0.69 0.99 119.26 128.47 2dlx h ALA 34 Ca 0.27 0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.33 2dlx h ALA 34 Cb 0.28 0.40 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 2dlx h ALA 34 CO -0.25 -0.56 -0.18 0.87 0.00 0.00 0.00 179.25 179.13 2dlx h LYS 35 N -0.13 -0.25 -0.33 0.00 1.57 -1.14 0.17 116.57 116.47 2dlx h LYS 35 Ca 0.16 0.02 0.05 0.00 -1.87 0.00 0.00 60.65 59.01 2dlx h LYS 35 Cb 0.38 0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.70 2dlx h LYS 35 CO -0.39 -0.17 0.06 0.93 -0.57 0.00 0.00 179.45 179.31 2dlx h GLU 36 N -0.26 0.18 -0.68 3.15 4.39 -0.89 -2.23 114.58 118.24 2dlx h GLU 36 Ca 0.07 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.77 2dlx h GLU 36 Cb 0.36 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.94 2dlx h GLU 36 CO -0.21 0.12 0.44 0.00 -1.16 0.00 0.00 179.01 178.20 2dlx h GLY 38 N 0.92 1.57 0.31 0.00 0.00 -0.04 0.27 103.07 106.10 2dlx h GLY 38 Ca 0.25 -0.21 -0.02 0.00 0.00 0.00 0.00 47.33 47.35 2dlx h GLY 38 CO -0.05 -0.22 -0.15 1.46 0.00 0.00 0.00 176.54 177.58 2dlx h GLN 39 N 0.47 -0.40 -0.93 4.80 4.20 -1.29 0.21 115.11 122.17 2dlx h GLN 39 Ca 0.56 0.03 0.25 0.00 0.06 0.00 0.00 58.65 59.54 2dlx h GLN 39 Cb 1.01 0.09 -0.13 0.00 0.30 0.00 0.00 27.48 28.75 2dlx h GLN 39 CO -0.49 -0.27 0.42 0.00 -0.67 0.00 0.00 178.83 177.83 2dlx h MET 40 N -0.71 0.35 0.00 1.46 -0.00 -1.22 1.07 114.93 115.88 2dlx h MET 40 Ca -0.04 -0.02 0.00 0.00 -0.00 0.00 0.00 59.70 59.64 2dlx h MET 40 Cb 0.32 -0.08 0.00 0.00 -0.00 0.00 0.00 31.60 31.84 2dlx h MET 40 CO 0.07 0.23 0.00 1.96 -0.00 0.00 0.00 176.91 179.17 2dlx h GLN 41 N 0.36 0.00 -4.90 -0.10 4.20 -0.52 -3.48 115.11 110.67 2dlx h GLN 41 Ca 0.61 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 59.05 2dlx h GLN 41 Cb 1.25 0.00 0.13 0.00 0.30 0.00 0.00 27.48 29.16 2dlx h GLN 41 CO -0.57 0.00 -0.60 0.09 -0.67 0.00 0.00 178.83 177.08 2dlx n ASN 42 N -2.98 -2.79 -3.98 1.46 3.02 0.37 -5.03 115.26 105.33 2dlx n ASN 42 Ca 0.04 -0.48 -0.13 0.00 -0.03 0.00 0.00 54.58 53.98 2dlx n ASN 42 Cb 0.49 -4.17 -0.13 0.00 -0.61 0.00 0.00 39.78 35.36 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 -5.29 0.37 1.21 3.52 1.02 0.34 -4.47 119.74 116.44 2dlx s LYS 43 Ca 0.10 -0.41 -0.15 0.00 0.02 0.00 0.00 55.97 55.53 2dlx s LYS 43 Cb -0.04 -0.23 0.27 0.00 -0.52 0.00 0.00 37.83 37.31 2dlx s LYS 43 CO 0.58 0.05 0.79 0.91 -0.92 0.00 0.00 175.35 176.76 2dlx n TRP 44 N 2.27 -1.64 -4.38 3.18 5.03 0.98 -4.57 117.44 118.31 2dlx n TRP 44 Ca -0.18 -0.19 -0.33 0.00 3.03 0.00 0.00 57.50 59.84 2dlx n TRP 44 Cb 0.57 -1.62 -0.16 0.00 -1.03 0.00 0.00 31.31 29.07 2dlx n TRP 44 CO 0.00 0.00 0.00 -1.17 -0.03 0.00 0.00 177.69 176.49 2dlx s LEU 45 N -6.11 2.27 -0.20 -0.99 2.96 -1.06 -0.68 118.68 114.86 2dlx s LEU 45 Ca 0.66 -0.57 -0.02 0.00 -0.22 0.00 0.00 54.13 53.97 2dlx s LEU 45 Cb -0.22 -1.51 0.00 0.00 0.50 0.00 0.00 46.19 44.96 2dlx s LEU 45 CO 0.65 0.04 -0.10 -0.32 -1.32 0.00 0.00 176.35 175.31 2dlx s MET 46 N 1.04 3.25 -0.07 1.98 -2.45 -1.05 -2.21 119.30 119.79 2dlx s MET 46 Ca -0.01 -0.69 0.03 0.00 -1.25 0.00 0.00 55.69 53.76 2dlx s MET 46 Cb -0.14 -2.85 -0.02 0.00 1.25 0.00 0.00 34.83 33.06 2dlx s MET 46 CO -0.06 -0.19 -0.16 0.42 1.05 0.00 0.00 175.02 176.08 2dlx s ILE 47 N 1.38 2.83 -0.17 10.11 1.01 -1.24 -2.67 121.20 132.46 2dlx s ILE 47 Ca 0.05 -0.78 -0.03 0.00 0.00 0.00 0.00 60.65 59.89 2dlx s ILE 47 Cb -0.14 -2.12 0.05 0.00 0.01 0.00 0.00 42.46 40.27 2dlx s ILE 47 CO -0.06 0.57 0.04 0.20 0.00 0.00 0.00 174.94 175.69 2dlx s ASN 48 N -0.30 2.53 -0.44 3.58 0.02 -1.07 -4.06 114.94 115.19 2dlx s ASN 48 Ca 0.02 -0.64 -0.27 0.00 -1.02 0.00 0.00 52.86 50.95 2dlx s ASN 48 Cb -0.13 -0.48 0.03 0.00 0.02 0.00 0.00 41.25 40.69 2dlx s ASN 48 CO 0.03 -0.30 1.04 -0.63 0.02 0.00 0.00 177.10 177.26 2dlx s ILE 49 N 1.95 4.36 -0.62 0.60 -1.09 -1.26 -3.16 121.20 121.98 2dlx s ILE 49 Ca 0.01 1.12 -0.28 0.00 -2.23 0.00 0.00 60.65 59.27 2dlx s ILE 49 Cb -0.16 -4.50 0.03 0.00 -1.58 0.00 0.00 42.46 36.25 2dlx s ILE 49 CO -0.08 -0.85 1.26 0.00 -1.23 0.00 0.00 174.94 174.05 2dlx s GLN 50 N 4.04 3.38 -0.34 2.79 -2.07 -0.61 -4.73 119.66 122.12 2dlx s GLN 50 Ca 0.43 0.15 -0.27 0.00 -1.82 0.00 0.00 55.36 53.86 2dlx s GLN 50 Cb -0.09 -4.08 0.01 0.00 -1.09 0.00 0.00 33.01 27.76 2dlx s GLN 50 CO 0.27 -1.87 0.96 0.54 -1.32 0.00 0.00 175.29 173.87 2dlx s ASN 51 N 3.50 6.77 0.26 12.60 2.20 -1.26 -4.16 114.94 134.84 2dlx s ASN 51 Ca 0.43 0.77 0.10 0.00 -0.94 0.00 0.00 52.86 53.22 2dlx s ASN 51 Cb -0.08 -2.48 0.32 0.00 -2.00 0.00 0.00 41.25 37.01 2dlx s ASN 51 CO 0.22 -0.83 1.59 -0.37 -2.94 0.00 0.00 177.10 174.78 2dlx h VAL 52 N 5.75 1.45 0.21 3.54 -1.51 -1.99 -3.32 116.25 120.38 2dlx h VAL 52 Ca -0.22 -2.20 -0.01 0.00 -1.23 0.00 0.00 66.70 63.03 2dlx h VAL 52 Cb 1.07 2.19 0.00 0.00 -2.13 0.00 0.00 31.29 32.43 2dlx h VAL 52 CO 0.98 0.63 -0.10 1.56 -1.23 0.00 0.00 177.57 179.41 2dlx h GLN 53 N 0.00 -0.27 -7.06 5.19 1.08 -2.03 -3.45 115.11 108.57 2dlx h GLN 53 Ca -0.01 0.02 -0.52 0.00 -1.45 0.00 0.00 58.65 56.69 2dlx h GLN 53 Cb 1.14 0.06 0.09 0.00 -0.05 0.00 0.00 27.48 28.73 2dlx h GLN 53 CO 0.08 -0.02 0.49 0.34 -0.95 0.00 0.00 178.83 178.77 2dlx s ASP 54 N -5.32 5.58 -0.20 1.46 2.15 -1.25 -4.97 116.67 114.13 2dlx s ASP 54 Ca -0.08 2.38 0.02 0.00 0.43 0.00 0.00 52.55 55.30 2dlx s ASP 54 Cb 0.00 -2.60 -0.21 0.00 -0.30 0.00 0.00 42.92 39.81 2dlx s ASP 54 CO 0.27 -1.33 0.05 0.49 -0.17 0.00 0.00 175.17 174.48 2dlx n PHE 55 N -1.14 0.45 -0.10 -5.34 3.72 -1.26 -4.57 117.46 109.23 2dlx n PHE 55 Ca 0.11 0.11 -0.03 0.00 -0.05 0.00 0.00 57.45 57.59 2dlx n PHE 55 Cb 0.49 -1.06 -0.02 0.00 -0.94 0.00 0.00 39.48 37.94 2dlx n PHE 55 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2dlx n ALA 56 N -3.07 -0.15 -0.40 4.37 0.00 -1.26 -0.12 120.51 119.88 2dlx n ALA 56 Ca -0.38 0.20 -0.10 0.00 0.00 0.00 0.00 53.44 53.16 2dlx n ALA 56 Cb 1.03 0.15 -0.09 0.00 0.00 0.00 0.00 19.45 20.54 2dlx n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dlx h GLN 58 N 0.00 -0.09 -0.90 0.00 1.08 -0.77 0.23 115.11 114.66 2dlx h GLN 58 Ca 0.15 0.01 0.21 0.00 -1.45 0.00 0.00 58.65 57.56 2dlx h GLN 58 Cb 0.39 0.02 -0.17 0.00 -0.05 0.00 0.00 27.48 27.67 2dlx h GLN 58 CO -0.89 -0.06 -0.11 0.00 -0.95 0.00 0.00 178.83 176.83 2dlx h LEU 60 N 0.02 -1.08 -1.46 0.00 4.07 -0.22 -2.13 115.31 114.52 2dlx h LEU 60 Ca 0.48 0.05 0.40 0.00 0.08 0.00 0.00 57.88 58.89 2dlx h LEU 60 Cb 0.85 0.30 -0.06 0.00 1.08 0.00 0.00 40.66 42.83 2dlx h LEU 60 CO -0.88 -0.71 1.27 -1.13 -1.08 0.00 0.00 178.44 175.91 2dlx h ASN 61 N -1.15 0.00 -0.16 -0.43 -0.73 -0.30 0.47 115.58 113.28 2dlx h ASN 61 Ca -0.11 0.00 0.03 0.00 1.87 0.00 0.00 56.30 58.09 2dlx h ASN 61 Cb 0.90 0.00 -0.05 0.00 0.27 0.00 0.00 38.32 39.44 2dlx h ASN 61 CO 0.15 0.00 -0.39 -0.09 -0.37 0.00 0.00 177.43 176.72 2dlx h ARG 62 N 0.00 -0.36 0.00 6.67 9.65 -0.80 -3.12 114.38 126.41 2dlx h ARG 62 Ca 0.65 0.02 -0.04 0.00 -1.10 0.00 0.00 59.98 59.52 2dlx h ARG 62 Cb 3.18 0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 31.84 2dlx h ARG 62 CO -0.01 -0.24 -1.14 -0.25 2.80 0.00 0.00 179.97 181.13 2dlx n ASP 63 N -4.62 4.12 0.03 -3.80 9.92 -0.22 -4.38 116.55 117.60 2dlx n ASP 63 Ca -0.04 -0.01 -0.03 0.00 -0.53 0.00 0.00 54.79 54.19 2dlx n ASP 63 Cb 0.26 0.22 -0.02 0.00 -0.64 0.00 0.00 41.12 40.95 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 -0.14 2.53 2.07 -0.33 0.36 116.25 120.74 2dlx h VAL 64 Ca -0.06 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.46 2dlx h VAL 64 Cb 1.10 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 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 -2.85 0.43 -0.05 1.57 5.03 -1.21 -3.56 117.44 116.81 2dlx n TRP 65 Ca -0.02 -0.16 -0.06 0.00 3.03 0.00 0.00 57.50 60.29 2dlx n TRP 65 Cb 0.07 -0.16 -0.05 0.00 -1.03 0.00 0.00 31.31 30.14 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 0.12 3.13 -4.57 -0.99 2.88 -0.84 -4.92 113.62 108.43 2dlx n SER 66 Ca 0.06 -0.04 -0.50 0.00 -1.33 0.00 0.00 58.87 57.06 2dlx n SER 66 Cb 0.41 0.11 -0.06 0.00 -0.75 0.00 0.00 64.21 63.92 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 -2.64 2.71 -0.23 -3.46 2.85 0.12 -4.84 115.26 109.77 2dlx n ASN 67 Ca -0.17 0.65 -0.04 0.00 -0.11 0.00 0.00 54.58 54.91 2dlx n ASN 67 Cb 0.72 -1.31 0.02 0.00 1.24 0.00 0.00 39.78 40.45 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 11.06 -0.11 -0.85 1.20 4.81 -1.92 -0.06 114.58 128.70 2dlx h GLU 68 Ca -0.38 0.01 0.15 0.00 -0.13 0.00 0.00 59.36 59.01 2dlx h GLU 68 Cb 1.30 0.03 -0.15 0.00 0.63 0.00 0.00 28.75 30.55 2dlx h GLU 68 CO 0.98 -0.08 -0.31 0.00 -0.73 0.00 0.00 179.01 178.88 2dlx h ALA 69 N 1.16 0.28 -0.53 2.92 0.00 -1.98 0.34 119.26 121.45 2dlx h ALA 69 Ca 0.27 0.28 0.02 0.00 0.00 0.00 0.00 54.91 55.47 2dlx h ALA 69 Cb 0.56 0.82 -0.03 0.00 0.00 0.00 0.00 17.79 19.13 2dlx h ALA 69 CO -0.73 -0.54 0.33 0.28 0.00 0.00 0.00 179.25 178.58 2dlx h VAL 70 N -0.04 1.08 -0.61 0.00 2.07 -1.36 -2.12 116.25 115.26 2dlx h VAL 70 Ca 0.35 -0.22 0.01 0.00 0.82 0.00 0.00 66.70 67.66 2dlx h VAL 70 Cb 0.60 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 2dlx h VAL 70 CO -0.88 0.12 0.40 0.11 0.02 0.00 0.00 177.57 177.34 2dlx h LYS 71 N 0.65 0.79 0.00 1.57 1.57 0.20 0.11 116.57 121.46 2dlx h LYS 71 Ca 0.21 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.92 2dlx h LYS 71 Cb -0.01 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.12 2dlx h LYS 71 CO -0.08 0.52 -0.08 -0.91 -0.57 0.00 0.00 179.45 178.34 2dlx h ASN 72 N 0.81 0.00 0.17 0.86 2.35 -0.20 -0.47 115.58 119.11 2dlx h ASN 72 Ca 0.23 0.00 -0.27 0.00 -0.55 0.00 0.00 56.30 55.71 2dlx h ASN 72 Cb -0.07 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.31 2dlx h ASN 72 CO -0.06 0.08 -1.27 0.40 -1.65 0.00 0.00 177.43 174.93 2dlx h ILE 73 N 0.00 1.25 0.00 2.81 2.04 -0.64 -1.65 117.51 121.32 2dlx h ILE 73 Ca -0.00 -2.54 0.00 0.00 1.00 0.00 0.00 64.86 63.32 2dlx h ILE 73 Cb 0.15 2.98 0.00 0.00 -0.74 0.00 0.00 36.82 39.21 2dlx h ILE 73 CO 0.01 0.76 0.00 -0.38 0.00 0.00 0.00 178.15 178.54 2dlx n ILE 74 N -3.90 0.81 -0.12 -0.67 5.41 0.28 -0.61 119.36 120.56 2dlx n ILE 74 Ca -0.19 0.18 -0.15 0.00 1.00 0.00 0.00 62.75 63.59 2dlx n ILE 74 Cb 0.95 -0.96 -0.12 0.00 -0.71 0.00 0.00 39.64 38.80 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 -1.78 0.67 -0.05 0.38 1.85 -0.21 -1.12 116.66 116.39 2dlx n ARG 75 Ca 0.04 0.11 -0.02 0.00 -1.00 0.00 0.00 57.85 56.97 2dlx n ARG 75 Cb 0.22 -1.49 -0.01 0.00 -1.05 0.00 0.00 32.46 30.14 2dlx n ARG 75 CO 0.00 0.00 0.00 1.49 -0.01 0.00 0.00 177.63 179.11 2dlx h GLU 76 N 0.00 0.00 -0.16 2.89 4.57 -1.22 -3.41 114.58 117.25 2dlx h GLU 76 Ca -0.54 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 57.60 2dlx h GLU 76 Cb 1.91 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 30.49 2dlx h GLU 76 CO -0.06 0.00 -0.08 0.45 -1.18 0.00 0.00 179.01 178.14 2dlx h HIS 77 N -0.80 0.39 -0.30 0.92 3.86 -1.05 -3.45 115.15 114.72 2dlx h HIS 77 Ca 0.00 -0.10 -0.65 0.00 -1.16 0.00 0.00 60.37 58.46 2dlx h HIS 77 Cb 0.25 -0.09 -0.10 0.00 1.06 0.00 0.00 27.41 28.53 2dlx h HIS 77 CO -0.11 0.66 -0.42 -0.06 0.86 0.00 0.00 177.93 178.86 2dlx s PHE 78 N -4.57 1.68 -0.33 2.45 0.40 -0.51 -0.02 117.98 117.09 2dlx s PHE 78 Ca -0.14 -0.94 -0.07 0.00 -0.60 0.00 0.00 56.93 55.18 2dlx s PHE 78 Cb 0.06 -1.71 0.03 0.00 0.51 0.00 0.00 43.02 41.91 2dlx s PHE 78 CO 0.74 -0.08 0.11 0.42 0.70 0.00 0.00 175.22 177.11 2dlx s ILE 79 N -2.86 3.91 -0.38 0.64 -1.09 0.14 -2.94 121.20 118.61 2dlx s ILE 79 Ca 0.14 -0.98 -0.28 0.00 -2.23 0.00 0.00 60.65 57.31 2dlx s ILE 79 Cb -0.01 -3.15 -0.03 0.00 -1.58 0.00 0.00 42.46 37.69 2dlx s ILE 79 CO 0.09 -0.11 2.01 0.12 -1.23 0.00 0.00 174.94 175.82 2dlx s PHE 80 N 1.44 1.51 -0.24 3.97 5.36 -0.28 -2.54 117.98 127.21 2dlx s PHE 80 Ca -0.00 0.79 -0.04 0.00 -0.96 0.00 0.00 56.93 56.72 2dlx s PHE 80 Cb -0.19 -3.98 0.08 0.00 -0.34 0.00 0.00 43.02 38.59 2dlx s PHE 80 CO 0.03 -3.02 0.10 -0.46 -1.46 0.00 0.00 175.22 170.40 2dlx s TRP 81 N 8.50 0.55 0.03 10.12 -0.00 -1.09 -4.37 118.94 132.68 2dlx s TRP 81 Ca 0.85 -0.78 0.07 0.00 -0.00 0.00 0.00 56.10 56.24 2dlx s TRP 81 Cb -0.22 -0.94 -0.03 0.00 -0.00 0.00 0.00 33.47 32.28 2dlx s TRP 81 CO 0.30 -0.69 -0.17 -1.14 -0.00 0.00 0.00 176.95 175.25 2dlx s GLN 82 N 2.02 2.13 0.17 5.86 0.74 -1.26 -2.60 119.66 126.71 2dlx s GLN 82 Ca 0.05 -0.94 -0.18 0.00 0.05 0.00 0.00 55.36 54.34 2dlx s GLN 82 Cb -0.16 -2.22 0.04 0.00 1.10 0.00 0.00 33.01 31.77 2dlx s GLN 82 CO -0.21 0.55 0.49 0.14 -0.55 0.00 0.00 175.29 175.71 2dlx s VAL 83 N -0.90 0.04 0.32 1.34 -7.23 -1.19 -5.01 120.40 107.76 2dlx s VAL 83 Ca 0.14 -0.60 -0.08 0.00 -1.81 0.00 0.00 61.98 59.63 2dlx s VAL 83 Cb -0.11 -1.36 -0.06 0.00 0.56 0.00 0.00 36.38 35.41 2dlx s VAL 83 CO 0.05 -0.17 0.63 -0.31 -0.31 0.00 0.00 175.10 174.99 2dlx s TYR 84 N -3.83 3.46 -1.45 2.82 1.51 -1.26 -1.57 117.35 117.02 2dlx s TYR 84 Ca 0.06 0.85 0.01 0.00 -1.01 0.00 0.00 57.07 56.97 2dlx s TYR 84 Cb -0.00 -2.27 0.02 0.00 -0.11 0.00 0.00 41.96 39.61 2dlx s TYR 84 CO -0.07 0.10 0.76 -2.39 -1.11 0.00 0.00 175.55 172.84 2dlx n HIS 85 N -0.86 0.05 -0.05 2.71 1.44 -1.26 -3.30 115.22 113.95 2dlx n HIS 85 Ca 0.00 -0.02 -0.06 0.00 -2.01 0.00 0.00 57.72 55.63 2dlx n HIS 85 Cb 0.54 -0.06 -0.05 0.00 0.12 0.00 0.00 29.99 30.54 2dlx n HIS 85 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 2dlx n ASP 86 N -0.19 3.20 -4.63 4.39 -0.08 -1.26 -4.50 116.55 113.47 2dlx n ASP 86 Ca 0.01 -0.04 -0.30 0.00 -1.51 0.00 0.00 54.79 52.95 2dlx n ASP 86 Cb 0.16 0.07 0.18 0.00 2.34 0.00 0.00 41.12 43.87 2dlx n ASP 86 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 2dlx s SER 87 N -4.68 2.49 0.10 1.67 1.04 -1.21 -4.79 113.70 108.33 2dlx s SER 87 Ca -0.11 1.96 -0.22 0.00 0.48 0.00 0.00 55.95 58.07 2dlx s SER 87 Cb 0.03 -2.48 -0.12 0.00 0.10 0.00 0.00 66.02 63.55 2dlx s SER 87 CO 0.25 -3.33 1.73 -0.33 0.98 0.00 0.00 173.24 172.54 2dlx h GLU 88 N -2.03 0.01 0.13 4.02 5.08 -1.96 -2.55 114.58 117.28 2dlx h GLU 88 Ca -0.48 -0.00 0.01 0.00 -1.00 0.00 0.00 59.36 57.88 2dlx h GLU 88 Cb 1.28 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.51 2dlx h GLU 88 CO 0.45 0.01 -0.17 1.05 -1.00 0.00 0.00 179.01 179.34 2dlx h GLU 89 N 0.01 -0.34 -0.24 2.33 4.11 -1.91 -3.14 114.58 115.39 2dlx h GLU 89 Ca 0.03 0.02 0.03 0.00 0.07 0.00 0.00 59.36 59.51 2dlx h GLU 89 Cb 0.04 0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.31 2dlx h GLU 89 CO -0.05 -0.22 -0.38 0.78 0.07 0.00 0.00 179.01 179.20 2dlx h GLY 90 N -0.35 -1.29 -0.79 1.06 0.00 -1.63 -0.48 103.07 99.59 2dlx h GLY 90 Ca 0.01 0.74 0.27 0.00 0.00 0.00 0.00 47.33 48.36 2dlx h GLY 90 CO -0.07 -0.31 0.21 -1.06 0.00 0.00 0.00 176.54 175.30 2dlx n GLN 91 N -4.54 -0.06 -0.12 4.80 1.13 -0.97 0.48 117.38 118.10 2dlx n GLN 91 Ca -0.03 1.14 -0.10 0.00 -1.94 0.00 0.00 57.00 56.08 2dlx n GLN 91 Cb 0.24 -1.92 -0.04 0.00 0.11 0.00 0.00 30.24 28.63 2dlx n GLN 91 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2dlx h ARG 92 N 0.00 -0.32 -0.41 -1.09 2.47 -1.06 0.14 114.38 114.10 2dlx h ARG 92 Ca 0.57 0.02 0.08 0.00 -1.26 0.00 0.00 59.98 59.39 2dlx h ARG 92 Cb 1.35 0.07 -0.07 0.00 -1.65 0.00 0.00 29.97 29.68 2dlx h ARG 92 CO -0.68 -0.21 -0.00 -0.92 0.56 0.00 0.00 179.97 178.71 2dlx h TYR 93 N -0.33 -0.03 0.26 3.04 3.20 -0.00 0.41 116.97 123.51 2dlx h TYR 93 Ca 0.14 0.03 0.01 0.00 3.14 0.00 0.00 58.73 62.04 2dlx h TYR 93 Cb 0.58 0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.90 2dlx h TYR 93 CO -0.61 -0.09 -0.32 0.82 -1.64 0.00 0.00 178.16 176.33 2dlx h ILE 94 N 0.10 0.34 -0.55 1.81 5.03 -1.05 -2.28 117.51 120.90 2dlx h ILE 94 Ca 0.20 0.00 -0.00 0.00 -0.12 0.00 0.00 64.86 64.94 2dlx h ILE 94 Cb 0.29 0.34 -0.03 0.00 -3.03 0.00 0.00 36.82 34.39 2dlx h ILE 94 CO -0.34 0.00 0.33 1.56 -0.68 0.00 0.00 178.15 179.01 2dlx h GLN 95 N -0.63 0.74 -0.41 2.37 1.08 -0.38 0.80 115.11 118.69 2dlx h GLN 95 Ca -0.00 -0.06 0.04 0.00 -1.45 0.00 0.00 58.65 57.18 2dlx h GLN 95 Cb 0.59 -0.16 -0.06 0.00 -0.05 0.00 0.00 27.48 27.81 2dlx h GLN 95 CO -0.10 0.53 -0.32 0.35 -0.95 0.00 0.00 178.83 178.34 2dlx h PHE 96 N 0.76 -1.01 -0.37 2.96 3.04 0.41 -2.33 116.94 120.40 2dlx h PHE 96 Ca 0.20 0.06 0.00 0.00 3.98 0.00 0.00 57.97 62.21 2dlx h PHE 96 Cb -0.02 0.49 0.00 0.00 2.56 0.00 0.00 35.95 38.98 2dlx h PHE 96 CO 0.00 -0.24 0.00 0.66 -2.02 0.00 0.00 178.31 176.72 2dlx n TYR 97 N -4.22 1.02 -3.81 0.41 4.02 -1.18 -4.96 117.16 108.43 2dlx n TYR 97 Ca -0.00 -0.73 -0.25 0.00 -0.01 0.00 0.00 57.90 56.90 2dlx n TYR 97 Cb 0.16 -0.25 0.02 0.00 -0.02 0.00 0.00 39.34 39.25 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 0.09 -4.85 -1.50 -0.72 4.76 0.24 -4.88 118.16 111.30 2dlx n LYS 98 Ca 0.20 0.58 -0.38 0.00 -2.87 0.00 0.00 58.31 55.85 2dlx n LYS 98 Cb 0.81 -5.19 0.05 0.00 -1.84 0.00 0.00 35.03 28.86 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 -4.42 2.05 -2.04 -0.35 0.00 0.80 -4.95 117.00 108.10 2dlx n LEU 99 Ca -0.19 0.74 -0.04 0.00 0.00 0.00 0.00 56.01 56.53 2dlx n LEU 99 Cb 0.63 -1.27 0.05 0.00 0.00 0.00 0.00 43.42 42.83 2dlx n LEU 99 CO 0.72 -2.57 0.50 0.61 0.00 0.00 0.00 177.39 176.65 2dlx n GLY 100 N 1.55 1.45 3.82 -3.96 0.00 -1.26 -4.91 105.19 101.89 2dlx n GLY 100 Ca 0.12 -0.15 -0.06 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 -1.18 -0.17 -0.04 1.61 2.15 -1.26 -5.19 116.67 112.59 2dlx s ASP 101 Ca 0.07 -0.66 -0.29 0.00 0.43 0.00 0.00 52.55 52.10 2dlx s ASP 101 Cb 0.28 0.67 0.09 0.00 -0.30 0.00 0.00 42.92 43.66 2dlx s ASP 101 CO -0.08 -1.26 0.79 -0.36 -0.17 0.00 0.00 175.17 174.09 2dlx s PHE 102 N -3.30 -0.51 0.96 -5.34 0.08 -1.26 -4.49 117.98 104.12 2dlx s PHE 102 Ca 0.13 0.71 -0.12 0.00 0.12 0.00 0.00 56.93 57.77 2dlx s PHE 102 Cb -0.04 0.47 0.16 0.00 -0.57 0.00 0.00 43.02 43.04 2dlx s PHE 102 CO 0.06 -0.57 1.09 -1.25 -0.10 0.00 0.00 175.22 174.46 2dlx s PRO 103 N -1.91 0.76 -0.04 0.24 0.04 -1.26 -4.97 135.00 127.87 2dlx s PRO 103 Ca -0.04 0.64 0.01 0.00 0.04 0.00 0.00 61.00 61.65 2dlx s PRO 103 Cb -0.00 -1.77 0.02 0.00 0.04 0.00 0.00 34.50 32.79 2dlx s PRO 103 CO 0.01 -2.54 -0.03 -0.47 0.04 0.00 0.00 177.00 174.01 2dlx s TYR 104 N -2.96 0.58 -0.18 0.56 6.14 -1.26 -4.44 117.35 115.80 2dlx s TYR 104 Ca 0.65 -0.13 -0.04 0.00 0.64 0.00 0.00 57.07 58.19 2dlx s TYR 104 Cb -0.18 -0.56 0.08 0.00 0.42 0.00 0.00 41.96 41.72 2dlx s TYR 104 CO 0.57 -0.16 0.23 0.08 0.64 0.00 0.00 175.55 176.91 2dlx s VAL 105 N 0.90 -0.34 0.05 3.14 1.01 -1.24 -4.16 120.40 119.76 2dlx s VAL 105 Ca -0.11 0.01 0.02 0.00 0.00 0.00 0.00 61.98 61.91 2dlx s VAL 105 Cb -0.14 -0.59 -0.03 0.00 0.00 0.00 0.00 36.38 35.62 2dlx s VAL 105 CO -0.00 -0.10 -0.08 -0.44 0.00 0.00 0.00 175.10 174.47 2dlx s SER 106 N 2.35 0.92 -0.19 3.32 0.01 -1.26 -2.36 113.70 116.49 2dlx s SER 106 Ca 0.06 -0.60 -0.06 0.00 1.31 0.00 0.00 55.95 56.66 2dlx s SER 106 Cb -0.15 0.04 -0.03 0.00 0.21 0.00 0.00 66.02 66.09 2dlx s SER 106 CO -0.11 -0.22 0.02 -0.63 0.41 0.00 0.00 173.24 172.71 2dlx s ILE 107 N -1.59 4.27 0.15 1.44 1.01 -1.25 -3.70 121.20 121.53 2dlx s ILE 107 Ca -0.08 -0.21 0.08 0.00 0.00 0.00 0.00 60.65 60.44 2dlx s ILE 107 Cb -0.09 -2.92 -0.04 0.00 0.01 0.00 0.00 42.46 39.42 2dlx s ILE 107 CO -0.00 0.45 -0.09 -0.76 0.00 0.00 0.00 174.94 174.53 2dlx s LEU 108 N 0.68 3.00 -0.21 2.97 1.43 -0.94 -3.15 118.68 122.47 2dlx s LEU 108 Ca 0.01 -0.51 -0.15 0.00 -1.03 0.00 0.00 54.13 52.45 2dlx s LEU 108 Cb -0.14 -1.73 -0.04 0.00 0.03 0.00 0.00 46.19 44.32 2dlx s LEU 108 CO 0.02 0.13 0.37 -0.62 0.23 0.00 0.00 176.35 176.48 2dlx s ASP 109 N -2.62 6.39 0.00 2.29 2.15 -1.25 -2.55 116.67 121.08 2dlx s ASP 109 Ca 0.24 0.46 0.15 0.00 0.43 0.00 0.00 52.55 53.82 2dlx s ASP 109 Cb -0.10 -2.22 0.72 0.00 -0.30 0.00 0.00 42.92 41.03 2dlx s ASP 109 CO 0.15 -0.07 1.42 -0.81 -0.17 0.00 0.00 175.17 175.69 2dlx n PRO 110 N 4.49 0.16 -0.11 4.34 -0.04 -1.26 0.13 135.00 142.72 2dlx n PRO 110 Ca -0.09 0.17 -0.20 0.00 -0.04 0.00 0.00 63.50 63.34 2dlx n PRO 110 Cb 0.51 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.38 2dlx n PRO 110 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2dlx n ARG 111 N -1.34 0.55 -0.12 0.54 1.74 -1.26 -4.53 116.66 112.24 2dlx n ARG 111 Ca 0.06 0.47 -0.16 0.00 -0.77 0.00 0.00 57.85 57.44 2dlx n ARG 111 Cb 0.13 -1.65 -0.11 0.00 -1.02 0.00 0.00 32.46 29.81 2dlx n ARG 111 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2dlx n THR 112 N -4.43 1.36 -2.04 0.55 -2.24 -1.20 -5.04 114.28 101.25 2dlx n THR 112 Ca -0.32 -0.53 0.00 0.00 -2.27 0.00 0.00 64.05 60.93 2dlx n THR 112 Cb 0.64 -1.32 0.00 0.00 -2.10 0.00 0.00 70.33 67.55 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 2.35 0.89 3.30 3.38 0.00 0.34 -5.00 105.19 110.46 2dlx n GLY 113 Ca -0.42 -0.62 -0.31 0.00 0.00 0.00 0.00 46.02 44.67 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 -4.11 2.15 0.21 1.61 0.74 -1.26 -4.82 119.66 114.18 2dlx s GLN 114 Ca 0.00 -0.92 -0.32 0.00 0.05 0.00 0.00 55.36 54.17 2dlx s GLN 114 Cb 0.00 -2.04 -0.13 0.00 1.10 0.00 0.00 33.01 31.94 2dlx s GLN 114 CO 0.00 0.54 1.62 1.17 -0.55 0.00 0.00 175.29 178.07 2dlx n LYS 115 N 2.50 2.49 -0.04 1.67 0.00 -1.26 -3.87 118.16 119.65 2dlx n LYS 115 Ca -0.16 0.90 -0.05 0.00 0.00 0.00 0.00 58.31 58.99 2dlx n LYS 115 Cb 0.51 -2.69 -0.04 0.00 0.00 0.00 0.00 35.03 32.81 2dlx n LYS 115 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2dlx n LEU 116 N 3.27 2.16 -4.17 3.14 4.77 -1.19 -5.05 117.00 119.93 2dlx n LEU 116 Ca 0.14 -0.03 -0.10 0.00 -0.03 0.00 0.00 56.01 55.99 2dlx n LEU 116 Cb 0.33 -0.16 -0.10 0.00 -2.33 0.00 0.00 43.42 41.16 2dlx n LEU 116 CO 0.64 0.51 -0.38 0.68 -1.33 0.00 0.00 177.39 177.50 2dlx s VAL 117 N -2.16 0.64 -0.13 4.08 -7.23 -1.26 -5.07 120.40 109.27 2dlx s VAL 117 Ca -0.09 -1.93 -0.05 0.00 -1.81 0.00 0.00 61.98 58.11 2dlx s VAL 117 Cb 0.03 -1.70 0.06 0.00 0.56 0.00 0.00 36.38 35.33 2dlx s VAL 117 CO 0.21 -0.85 0.26 -1.83 -0.31 0.00 0.00 175.10 172.58 2dlx s GLU 118 N -3.85 0.15 0.34 4.82 4.04 -1.26 -3.77 118.70 119.17 2dlx s GLU 118 Ca 0.12 0.73 0.04 0.00 0.04 0.00 0.00 54.97 55.90 2dlx s GLU 118 Cb 0.06 -0.05 -0.06 0.00 0.02 0.00 0.00 34.13 34.10 2dlx s GLU 118 CO -0.05 -0.27 0.06 -1.58 -1.84 0.00 0.00 175.26 171.58 2dlx s TRP 119 N 2.30 1.99 -0.22 4.83 0.51 -1.00 -5.07 118.94 122.29 2dlx s TRP 119 Ca 0.00 -0.96 -0.17 0.00 -2.12 0.00 0.00 56.10 52.86 2dlx s TRP 119 Cb -0.12 -1.31 0.06 0.00 -0.81 0.00 0.00 33.47 31.29 2dlx s TRP 119 CO -0.08 0.02 0.56 -1.01 -0.51 0.00 0.00 176.95 175.92 2dlx s HIS 120 N -3.25 -0.71 -0.95 -1.98 3.76 -1.26 -3.65 115.29 107.26 2dlx s HIS 120 Ca 0.35 1.59 -0.01 0.00 -0.15 0.00 0.00 55.06 56.84 2dlx s HIS 120 Cb 0.08 0.31 0.00 0.00 1.11 0.00 0.00 32.58 34.09 2dlx s HIS 120 CO 0.15 -0.35 0.80 0.94 -0.85 0.00 0.00 174.74 175.43 2dlx n GLN 121 N 3.41 -5.32 -0.33 1.40 7.27 -1.26 -4.99 117.38 117.56 2dlx n GLN 121 Ca -0.17 0.65 -0.28 0.00 0.07 0.00 0.00 57.00 57.27 2dlx n GLN 121 Cb 0.56 -5.10 0.26 0.00 2.41 0.00 0.00 30.24 28.38 2dlx n GLN 121 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 2dlx n LEU 122 N -3.52 -0.83 -3.71 1.69 7.99 -1.26 -5.04 117.00 112.32 2dlx n LEU 122 Ca -0.18 -0.65 -0.10 0.00 -0.01 0.00 0.00 56.01 55.07 2dlx n LEU 122 Cb 0.61 -1.00 -0.04 0.00 -0.11 0.00 0.00 43.42 42.88 2dlx n LEU 122 CO 0.48 -4.13 0.19 -1.81 -1.51 0.00 0.00 177.39 170.60 2dlx s ASP 123 N -2.72 -0.22 0.16 -1.43 1.11 -1.26 -4.91 116.67 107.40 2dlx s ASP 123 Ca 0.61 -0.44 -0.27 0.00 0.18 0.00 0.00 52.55 52.63 2dlx s ASP 123 Cb -0.13 0.51 0.00 0.00 1.07 0.00 0.00 42.92 44.37 2dlx s ASP 123 CO 0.54 -0.94 1.56 0.58 1.18 0.00 0.00 175.17 178.10 2dlx h VAL 124 N 2.31 0.07 0.13 -1.27 2.07 -1.90 0.44 116.25 118.11 2dlx h VAL 124 Ca -0.32 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 2dlx h VAL 124 Cb 1.26 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 2dlx h VAL 124 CO 0.43 0.00 -0.06 -1.28 0.02 0.00 0.00 177.57 176.68 2dlx h SER 125 N -0.26 -0.15 -1.00 0.57 0.87 -1.98 -3.19 113.55 108.41 2dlx h SER 125 Ca 0.16 0.01 0.16 0.00 -1.23 0.00 0.00 61.79 60.88 2dlx h SER 125 Cb 0.57 0.04 -0.16 0.00 -0.44 0.00 0.00 62.40 62.40 2dlx h SER 125 CO -0.67 0.31 -0.38 0.28 -0.53 0.00 0.00 176.83 175.84 2dlx h SER 126 N -1.02 -1.39 0.09 6.23 0.02 -1.94 0.16 113.55 115.69 2dlx h SER 126 Ca -0.02 0.31 0.01 0.00 -0.84 0.00 0.00 61.79 61.26 2dlx h SER 126 Cb 0.14 0.75 -0.05 0.00 0.14 0.00 0.00 62.40 63.37 2dlx h SER 126 CO 0.03 -0.29 -0.53 0.15 -1.14 0.00 0.00 176.83 175.05 2dlx h PHE 127 N -0.00 -1.55 -0.60 3.45 3.57 -0.26 0.71 116.94 122.26 2dlx h PHE 127 Ca 0.36 0.04 0.11 0.00 3.53 0.00 0.00 57.97 62.02 2dlx h PHE 127 Cb 0.61 0.66 -0.09 0.00 2.79 0.00 0.00 35.95 39.93 2dlx h PHE 127 CO -0.87 -0.59 0.13 -0.07 -2.23 0.00 0.00 178.31 174.68 2dlx h LEU 128 N -0.74 0.00 -0.12 0.59 3.38 -0.98 -0.44 115.31 117.01 2dlx h LEU 128 Ca -0.00 0.11 0.04 0.00 0.09 0.00 0.00 57.88 58.12 2dlx h LEU 128 Cb 0.75 0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.62 2dlx h LEU 128 CO -0.31 0.01 -0.11 -0.78 0.09 0.00 0.00 178.44 177.34 2dlx h ASP 129 N 0.26 -0.35 -0.51 -0.43 3.58 -0.08 0.37 116.42 119.26 2dlx h ASP 129 Ca 0.32 0.07 0.04 0.00 0.42 0.00 0.00 57.03 57.88 2dlx h ASP 129 Cb 0.47 0.17 -0.04 0.00 1.72 0.00 0.00 39.33 41.65 2dlx h ASP 129 CO -0.40 -0.15 0.27 1.56 -2.88 0.00 0.00 179.24 177.63 2dlx h GLN 130 N -0.14 0.51 0.41 0.28 1.08 0.00 -1.74 115.11 115.52 2dlx h GLN 130 Ca 0.08 -0.03 -0.02 0.00 -1.45 0.00 0.00 58.65 57.23 2dlx h GLN 130 Cb 0.26 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.58 2dlx h GLN 130 CO -0.20 0.33 -0.20 0.28 -0.95 0.00 0.00 178.83 178.10 2dlx h VAL 131 N 0.52 0.00 -1.00 -0.54 2.07 -0.62 0.74 116.25 117.43 2dlx h VAL 131 Ca 0.22 -0.15 0.29 0.00 0.82 0.00 0.00 66.70 67.88 2dlx h VAL 131 Cb 0.11 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 29.69 2dlx h VAL 131 CO -0.14 0.00 0.09 0.71 0.02 0.00 0.00 177.57 178.25 2dlx h THR 132 N -0.71 0.01 -0.06 2.57 1.35 -0.26 0.28 112.91 116.09 2dlx h THR 132 Ca -0.06 -0.00 -0.04 0.00 -0.55 0.00 0.00 66.41 65.76 2dlx h THR 132 Cb 0.43 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.85 2dlx h THR 132 CO 0.09 0.00 -0.13 1.23 -0.25 0.00 0.00 175.52 176.46 2dlx h GLY 133 N 0.01 0.21 0.50 5.82 0.00 -1.31 -3.19 103.07 105.10 2dlx h GLY 133 Ca 0.64 -0.26 0.04 0.00 0.00 0.00 0.00 47.33 47.76 2dlx h GLY 133 CO -0.91 0.23 -0.10 -2.75 0.00 0.00 0.00 176.54 173.01 2dlx h PHE 134 N -0.31 -0.24 -0.92 5.60 3.04 0.18 0.16 116.94 124.44 2dlx h PHE 134 Ca 0.00 0.02 0.22 0.00 3.98 0.00 0.00 57.97 62.20 2dlx h PHE 134 Cb 0.72 0.14 -0.12 0.00 2.56 0.00 0.00 35.95 39.25 2dlx h PHE 134 CO 0.12 -0.16 0.44 -0.07 -2.02 0.00 0.00 178.31 176.63 2dlx h LEU 135 N -0.08 0.42 0.05 0.59 3.38 -0.69 0.38 115.31 119.36 2dlx h LEU 135 Ca 0.11 0.15 -0.26 0.00 0.09 0.00 0.00 57.88 57.96 2dlx h LEU 135 Cb 0.24 0.10 0.02 0.00 0.09 0.00 0.00 40.66 41.12 2dlx h LEU 135 CO -0.24 0.03 -1.04 1.23 0.09 0.00 0.00 178.44 178.51 2dlx h GLY 136 N 0.45 0.69 0.83 0.83 0.00 -1.30 0.15 103.07 104.72 2dlx h GLY 136 Ca 0.58 -1.31 -0.04 0.00 0.00 0.00 0.00 47.33 46.56 2dlx h GLY 136 CO -0.51 1.15 -0.37 0.83 0.00 0.00 0.00 176.54 177.64 2dlx h GLU 137 N 0.24 -1.01 0.09 4.80 5.08 0.79 -3.36 114.58 121.21 2dlx h GLU 137 Ca -0.15 0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2dlx h GLU 137 Cb 1.72 0.23 0.00 0.00 0.50 0.00 0.00 28.75 31.20 2dlx h GLU 137 CO 0.20 -0.66 -0.04 0.45 -1.00 0.00 0.00 179.01 177.96 2dlx h HIS 138 N -1.24 -0.12 0.00 4.33 3.86 -0.47 -3.51 115.15 118.01 2dlx h HIS 138 Ca -0.11 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.10 2dlx h HIS 138 Cb 0.81 0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.32 2dlx h HIS 138 CO -0.00 0.32 0.00 0.41 0.86 0.00 0.00 177.93 179.52 2dlx n GLY 139 N 1.16 1.86 3.87 2.45 0.00 0.53 -5.06 105.19 110.00 2dlx n GLY 139 Ca -0.06 -2.11 -0.29 0.00 0.00 0.00 0.00 46.02 43.56 2dlx n GLY 139 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2dlx s GLN 140 N -1.86 2.07 0.14 1.61 -1.52 -1.26 -4.86 119.66 113.98 2dlx s GLN 140 Ca 0.00 0.26 -0.27 0.00 -1.95 0.00 0.00 55.36 53.41 2dlx s GLN 140 Cb 0.00 -1.95 -0.06 0.00 -0.22 0.00 0.00 33.01 30.79 2dlx s GLN 140 CO 0.00 -1.55 1.34 1.28 -0.25 0.00 0.00 175.29 176.11 2dlx n LEU 141 N -3.32 -0.92 -3.52 2.90 7.99 -1.26 -4.77 117.00 114.10 2dlx n LEU 141 Ca 0.07 1.55 -0.26 0.00 -0.01 0.00 0.00 56.01 57.36 2dlx n LEU 141 Cb 0.59 -0.20 0.01 0.00 -0.11 0.00 0.00 43.42 43.71 2dlx n LEU 141 CO 0.57 -1.27 0.02 -0.67 -1.51 0.00 0.00 177.39 174.53 2dlx n ASP 142 N -5.09 -4.45 -3.96 -1.43 2.03 -1.26 -4.96 116.55 97.42 2dlx n ASP 142 Ca 0.02 -0.53 -0.15 0.00 0.52 0.00 0.00 54.79 54.65 2dlx n ASP 142 Cb 0.23 -3.62 -0.14 0.00 -0.72 0.00 0.00 41.12 36.87 2dlx n ASP 142 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 2dlx s GLY 143 N -2.93 0.27 0.04 0.27 0.00 -1.26 -5.14 107.32 98.57 2dlx s GLY 143 Ca 0.49 -0.28 -0.24 0.00 0.00 0.00 0.00 44.72 44.69 2dlx s GLY 143 CO 0.60 -0.26 0.72 0.48 0.00 0.00 0.00 173.10 174.65 2dlx s LEU 144 N -0.31 4.45 -0.02 0.66 2.34 -1.26 -4.93 118.68 119.60 2dlx s LEU 144 Ca 0.00 1.38 -0.01 0.00 0.06 0.00 0.00 54.13 55.57 2dlx s LEU 144 Cb -0.03 -3.15 0.02 0.00 -0.56 0.00 0.00 46.19 42.47 2dlx s LEU 144 CO -0.00 0.05 0.05 -0.55 -1.06 0.00 0.00 176.35 174.84 2dlx s SER 145 N -0.15 0.00 0.16 1.48 0.15 -1.26 -5.09 113.70 108.98 2dlx s SER 145 Ca 0.36 0.09 -0.30 0.00 0.70 0.00 0.00 55.95 56.80 2dlx s SER 145 Cb -0.20 0.03 -0.08 0.00 -1.71 0.00 0.00 66.02 64.06 2dlx s SER 145 CO 0.22 -0.09 1.20 -0.94 1.20 0.00 0.00 173.24 174.83 2dlx s SER 146 N 0.68 7.08 0.08 5.45 1.04 -1.26 -4.71 113.70 122.06 2dlx s SER 146 Ca -0.05 2.20 0.03 0.00 0.48 0.00 0.00 55.95 58.60 2dlx s SER 146 Cb -0.08 -2.60 -0.03 0.00 0.10 0.00 0.00 66.02 63.41 2dlx s SER 146 CO -0.02 -0.40 -0.09 -0.55 0.98 0.00 0.00 173.24 173.17 2dlx s SER 147 N 0.31 1.20 -0.07 7.02 0.15 -1.26 -4.85 113.70 116.20 2dlx s SER 147 Ca 0.54 -0.77 -0.30 0.00 0.70 0.00 0.00 55.95 56.12 2dlx s SER 147 Cb -0.32 0.04 0.11 0.00 -1.71 0.00 0.00 66.02 64.14 2dlx s SER 147 CO 0.35 -0.29 0.92 -0.55 1.20 0.00 0.00 173.24 174.88 2dlx s SER 148 N -2.30 -0.38 -0.47 5.45 0.15 -1.26 -5.11 113.70 109.78 2dlx s SER 148 Ca 0.02 0.21 0.05 0.00 0.70 0.00 0.00 55.95 56.94 2dlx s SER 148 Cb -0.03 0.36 0.27 0.00 -1.71 0.00 0.00 66.02 64.91 2dlx s SER 148 CO -0.01 -0.50 1.00 0.61 1.20 0.00 0.00 173.24 175.54 2dlx n GLY 149 N 0.23 0.05 3.57 9.45 0.00 -1.26 -5.08 105.19 112.15 2dlx n GLY 149 Ca -0.10 0.18 -0.27 0.00 0.00 0.00 0.00 46.02 45.83 2dlx n GLY 149 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dlx s PRO 150 N 0.51 2.54 0.25 1.61 0.04 -1.26 -4.88 135.00 133.81 2dlx s PRO 150 Ca 0.28 -0.57 -0.02 0.00 0.04 0.00 0.00 61.00 60.73 2dlx s PRO 150 Cb 0.25 -5.12 -0.03 0.00 0.04 0.00 0.00 34.50 29.64 2dlx s PRO 150 CO -0.18 -3.57 0.26 -1.12 0.04 0.00 0.00 177.00 172.44 2dlx s SER 151 N 7.53 0.47 -0.12 6.66 0.01 -1.26 -5.17 113.70 121.84 2dlx s SER 151 Ca 0.69 -1.38 -0.05 0.00 1.31 0.00 0.00 55.95 56.53 2dlx s SER 151 Cb -0.05 0.48 0.06 0.00 0.21 0.00 0.00 66.02 66.72 2dlx s SER 151 CO 0.04 -0.99 0.24 -0.44 0.41 0.00 0.00 173.24 172.50 2dlx s SER 152 N -3.18 0.23 0.00 2.44 0.01 -1.26 -5.31 113.70 106.63 2dlx s SER 152 Ca 0.35 0.54 0.00 0.00 1.31 0.00 0.00 55.95 58.15 2dlx s SER 152 Cb 0.04 0.56 0.00 0.00 0.21 0.00 0.00 66.02 66.83 2dlx s SER 152 CO 0.15 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.19