#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 0.44 -0.24 1.61 1.04 -1.26 -5.13 113.70 110.17 2dlx s SER 2 Ca 0.00 0.49 0.02 0.00 0.48 0.00 0.00 55.95 56.93 2dlx s SER 2 Cb 0.00 0.73 0.06 0.00 0.10 0.00 0.00 66.02 66.91 2dlx s SER 2 CO 0.00 -0.25 -0.08 -0.94 0.98 0.00 0.00 173.24 172.94 2dlx s SER 3 N 2.43 4.02 -0.13 7.02 1.04 -1.26 -4.92 113.70 121.90 2dlx s SER 3 Ca 0.03 -1.22 -0.06 0.00 0.48 0.00 0.00 55.95 55.18 2dlx s SER 3 Cb -0.13 -1.34 0.01 0.00 0.10 0.00 0.00 66.02 64.66 2dlx s SER 3 CO -0.10 -0.20 0.11 0.61 0.98 0.00 0.00 173.24 174.64 2dlx n GLY 4 N 4.58 -0.83 0.31 7.32 0.00 -1.26 -4.74 105.19 110.58 2dlx n GLY 4 Ca -0.13 0.28 0.08 0.00 0.00 0.00 0.00 46.02 46.25 2dlx n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dlx n SER 5 N 0.94 -0.24 -3.74 1.61 2.88 -1.26 -4.35 113.62 109.45 2dlx n SER 5 Ca -0.01 1.51 -0.12 0.00 -1.33 0.00 0.00 58.87 58.92 2dlx n SER 5 Cb 0.43 -0.49 -0.13 0.00 -0.75 0.00 0.00 64.21 63.28 2dlx n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dlx s SER 6 N -5.15 -0.28 -0.46 -3.46 1.04 -1.26 -5.08 113.70 99.05 2dlx s SER 6 Ca -0.13 0.54 0.05 0.00 0.48 0.00 0.00 55.95 56.89 2dlx s SER 6 Cb 0.25 0.45 0.27 0.00 0.10 0.00 0.00 66.02 67.09 2dlx s SER 6 CO 0.69 -0.15 1.02 0.61 0.98 0.00 0.00 173.24 176.38 2dlx n GLY 7 N 3.97 0.04 3.16 7.32 0.00 -1.26 -5.15 105.19 113.27 2dlx n GLY 7 Ca -0.23 0.19 -0.10 0.00 0.00 0.00 0.00 46.02 45.89 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 0.48 0.56 -0.22 -0.61 -5.25 -1.26 -5.14 121.20 109.75 2dlx s ILE 8 Ca 0.28 -1.91 -0.04 0.00 -0.99 0.00 0.00 60.65 57.99 2dlx s ILE 8 Cb 0.25 -1.72 0.08 0.00 2.95 0.00 0.00 42.46 44.02 2dlx s ILE 8 CO -0.17 -0.84 0.09 1.51 -1.79 0.00 0.00 174.94 173.75 2dlx s ASP 9 N -3.03 2.98 -0.05 4.36 -4.77 -1.26 -5.12 116.67 109.77 2dlx s ASP 9 Ca 0.13 -0.95 -0.06 0.00 -3.30 0.00 0.00 52.55 48.37 2dlx s ASP 9 Cb 0.06 -0.42 0.01 0.00 -1.09 0.00 0.00 42.92 41.49 2dlx s ASP 9 CO -0.05 -0.37 0.16 -0.54 0.70 0.00 0.00 175.17 175.07 2dlx s LYS 10 N 2.01 0.23 -0.32 2.11 -0.14 -1.26 -5.13 119.74 117.24 2dlx s LYS 10 Ca 0.04 0.15 0.03 0.00 -1.36 0.00 0.00 55.97 54.83 2dlx s LYS 10 Cb -0.16 0.11 0.09 0.00 -1.68 0.00 0.00 37.83 36.19 2dlx s LYS 10 CO -0.18 -0.03 0.03 -1.59 -0.76 0.00 0.00 175.35 172.81 2dlx s LYS 11 N -0.10 1.51 -0.05 1.68 0.00 -1.26 -5.08 119.74 116.45 2dlx s LYS 11 Ca -0.02 -1.66 -0.02 0.00 0.00 0.00 0.00 55.97 54.27 2dlx s LYS 11 Cb -0.02 -2.99 0.03 0.00 0.00 0.00 0.00 37.83 34.85 2dlx s LYS 11 CO 0.00 -0.87 0.08 -0.51 0.00 0.00 0.00 175.35 174.06 2dlx s LEU 12 N 1.04 0.30 -0.20 2.77 1.43 -1.26 -5.13 118.68 117.63 2dlx s LEU 12 Ca 0.07 0.15 0.00 0.00 -1.03 0.00 0.00 54.13 53.32 2dlx s LEU 12 Cb -0.19 0.01 0.05 0.00 0.03 0.00 0.00 46.19 46.08 2dlx s LEU 12 CO -0.09 -0.22 -0.08 0.42 0.23 0.00 0.00 176.35 176.61 2dlx s THR 13 N 1.93 1.47 -0.23 5.49 -4.23 -1.26 -5.10 115.64 113.71 2dlx s THR 13 Ca 0.01 -0.94 -0.10 0.00 -1.18 0.00 0.00 61.69 59.48 2dlx s THR 13 Cb -0.12 -1.61 0.09 0.00 1.34 0.00 0.00 72.50 72.20 2dlx s THR 13 CO -0.04 0.11 0.53 -0.89 -0.54 0.00 0.00 174.62 173.78 2dlx s THR 14 N 1.46 -0.35 -0.81 3.99 2.01 -1.26 -5.02 115.64 115.67 2dlx s THR 14 Ca -0.02 0.07 0.14 0.00 0.31 0.00 0.00 61.69 62.20 2dlx s THR 14 Cb -0.16 -0.79 -0.12 0.00 0.01 0.00 0.00 72.50 71.44 2dlx s THR 14 CO -0.08 0.03 0.64 -0.11 -0.69 0.00 0.00 174.62 174.41 2dlx n LEU 15 N 4.78 0.85 -3.66 4.42 0.00 -1.26 -5.04 117.00 117.09 2dlx n LEU 15 Ca -0.17 -0.56 -0.04 0.00 0.00 0.00 0.00 56.01 55.24 2dlx n LEU 15 Cb 0.54 0.00 -0.01 0.00 0.00 0.00 0.00 43.42 43.94 2dlx n LEU 15 CO 0.01 0.19 0.78 0.00 0.00 0.00 0.00 177.39 178.38 2dlx s ALA 16 N -2.18 -1.81 0.26 1.96 0.00 -1.26 -5.19 121.76 113.53 2dlx s ALA 16 Ca 0.07 0.51 0.03 0.00 0.00 0.00 0.00 51.96 52.57 2dlx s ALA 16 Cb 0.11 0.50 -0.05 0.00 0.00 0.00 0.00 23.12 23.67 2dlx s ALA 16 CO 0.52 -0.94 0.02 0.16 0.00 0.00 0.00 175.76 175.53 2dlx s ASP 17 N -2.80 1.89 0.19 0.00 1.47 -1.26 -5.11 116.67 111.06 2dlx s ASP 17 Ca 0.11 -1.28 -0.33 0.00 1.18 0.00 0.00 52.55 52.24 2dlx s ASP 17 Cb -0.00 0.00 -0.14 0.00 -0.34 0.00 0.00 42.92 42.44 2dlx s ASP 17 CO -0.02 -0.56 1.36 0.18 0.68 0.00 0.00 175.17 176.81 2dlx n LEU 18 N -0.49 2.53 0.27 2.11 4.77 -1.26 -4.92 117.00 120.02 2dlx n LEU 18 Ca -0.04 1.13 -0.13 0.00 -0.03 0.00 0.00 56.01 56.94 2dlx n LEU 18 Cb 0.65 -1.35 -0.07 0.00 -2.33 0.00 0.00 43.42 40.32 2dlx n LEU 18 CO 0.38 -0.74 0.39 -0.26 -1.33 0.00 0.00 177.39 175.84 2dlx h PHE 19 N 4.27 -0.68 -3.86 -1.77 -1.00 -2.08 -3.47 116.94 108.35 2dlx h PHE 19 Ca -0.45 -0.02 -0.15 0.00 2.81 0.00 0.00 57.97 60.17 2dlx h PHE 19 Cb 1.30 0.23 -0.20 0.00 3.61 0.00 0.00 35.95 40.89 2dlx h PHE 19 CO 0.57 -0.37 -0.61 -0.98 -1.61 0.00 0.00 178.31 175.31 2dlx s ARG 20 N -4.40 0.44 0.87 1.51 3.03 -1.26 -5.16 118.95 113.98 2dlx s ARG 20 Ca -0.13 -0.66 -0.11 0.00 2.03 0.00 0.00 55.73 56.86 2dlx s ARG 20 Cb 0.01 0.17 0.11 0.00 -1.03 0.00 0.00 34.95 34.21 2dlx s ARG 20 CO 0.42 -0.09 1.09 -1.25 -1.13 0.00 0.00 175.30 174.34 2dlx s PRO 21 N -1.95 1.49 0.00 3.89 0.04 -1.26 -4.90 135.00 132.30 2dlx s PRO 21 Ca -0.11 0.91 0.15 0.00 0.04 0.00 0.00 61.00 61.99 2dlx s PRO 21 Cb -0.06 -1.83 0.92 0.00 0.04 0.00 0.00 34.50 33.57 2dlx s PRO 21 CO -0.02 -2.10 1.33 -0.35 0.04 0.00 0.00 177.00 175.89 2dlx n PRO 22 N -3.80 0.49 -0.20 0.56 -0.04 -1.26 -2.93 135.00 127.82 2dlx n PRO 22 Ca 0.07 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.56 2dlx n PRO 22 Cb 0.55 -1.49 0.10 0.00 -0.04 0.00 0.00 33.50 32.61 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 -0.99 0.60 -0.00 0.52 -5.35 -1.26 -4.40 119.36 108.48 2dlx n ILE 23 Ca 0.12 -0.34 -0.15 0.00 -0.27 0.00 0.00 62.75 62.11 2dlx n ILE 23 Cb 0.05 -0.31 -0.10 0.00 -1.74 0.00 0.00 39.64 37.55 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 1.05 -1.71 0.38 7.28 3.32 -1.92 -2.39 116.42 122.44 2dlx h ASP 24 Ca 0.00 0.20 -0.19 0.00 0.02 0.00 0.00 57.03 57.06 2dlx h ASP 24 Cb 0.73 0.67 -0.01 0.00 0.22 0.00 0.00 39.33 40.94 2dlx h ASP 24 CO 0.10 -0.49 -0.81 0.25 -1.72 0.00 0.00 179.24 176.56 2dlx h LEU 25 N -0.59 0.41-10.11 1.55 5.85 -1.92 -3.45 115.31 107.05 2dlx h LEU 25 Ca 0.03 -0.30 -0.48 0.00 0.84 0.00 0.00 57.88 57.97 2dlx h LEU 25 Cb 0.69 -0.12 0.05 0.00 0.37 0.00 0.00 40.66 41.64 2dlx h LEU 25 CO -0.43 1.06 0.40 -0.04 -0.34 0.00 0.00 178.44 179.09 2dlx s MET 26 N -3.42 3.54 -0.24 1.25 -1.94 -0.90 -4.50 119.30 113.09 2dlx s MET 26 Ca -0.05 1.40 -0.03 0.00 -1.71 0.00 0.00 55.69 55.30 2dlx s MET 26 Cb 0.10 -2.05 0.12 0.00 2.01 0.00 0.00 34.83 35.01 2dlx s MET 26 CO 0.84 -0.66 0.30 -1.01 -0.01 0.00 0.00 175.02 174.49 2dlx s HIS 27 N -2.04 -0.56 0.49 -0.03 3.76 -1.26 -4.83 115.29 110.82 2dlx s HIS 27 Ca 0.68 0.41 0.08 0.00 -0.15 0.00 0.00 55.06 56.08 2dlx s HIS 27 Cb -0.18 -0.22 0.04 0.00 1.11 0.00 0.00 32.58 33.33 2dlx s HIS 27 CO 0.26 -0.72 0.63 0.15 -0.85 0.00 0.00 174.74 174.21 2dlx s LYS 28 N 2.43 2.54 0.00 1.40 1.02 -1.26 -4.74 119.74 121.13 2dlx s LYS 28 Ca 0.10 -1.50 0.00 0.00 0.02 0.00 0.00 55.97 54.59 2dlx s LYS 28 Cb -0.15 -2.62 0.00 0.00 -0.52 0.00 0.00 37.83 34.54 2dlx s LYS 28 CO -0.18 -0.53 0.00 0.41 -0.92 0.00 0.00 175.35 174.13 2dlx n GLY 29 N -1.97 -1.15 3.78 -3.33 0.00 -1.26 -4.86 105.19 96.41 2dlx n GLY 29 Ca 0.10 -2.23 -0.36 0.00 0.00 0.00 0.00 46.02 43.52 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 -0.91 6.51 0.25 1.61 0.01 -1.26 -4.92 113.70 114.99 2dlx s SER 30 Ca 0.00 2.06 -0.09 0.00 1.31 0.00 0.00 55.95 59.24 2dlx s SER 30 Cb 0.00 -2.58 0.40 0.00 0.21 0.00 0.00 66.02 64.05 2dlx s SER 30 CO 0.00 -0.67 1.61 0.15 0.41 0.00 0.00 173.24 174.75 2dlx h PHE 31 N 2.14 -0.24 -0.68 2.43 3.57 -1.96 0.27 116.94 122.48 2dlx h PHE 31 Ca -0.49 0.06 0.09 0.00 3.53 0.00 0.00 57.97 61.16 2dlx h PHE 31 Cb 1.22 0.23 -0.07 0.00 2.79 0.00 0.00 35.95 40.12 2dlx h PHE 31 CO 0.56 -0.30 0.33 1.49 -2.23 0.00 0.00 178.31 178.16 2dlx h GLU 32 N 0.04 0.55 -0.50 1.11 4.81 -2.01 -2.25 114.58 116.33 2dlx h GLU 32 Ca 0.41 -0.03 0.10 0.00 -0.13 0.00 0.00 59.36 59.70 2dlx h GLU 32 Cb 0.68 -0.12 -0.10 0.00 0.63 0.00 0.00 28.75 29.84 2dlx h GLU 32 CO -0.75 0.36 -0.19 1.15 -0.73 0.00 0.00 179.01 178.85 2dlx h THR 33 N 0.56 0.39 -0.41 0.32 2.02 -0.83 -1.49 112.91 113.48 2dlx h THR 33 Ca 0.33 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.60 2dlx h THR 33 Cb 0.34 0.39 -0.09 0.00 -1.74 0.00 0.00 68.15 67.05 2dlx h THR 33 CO -0.26 0.00 -0.25 0.00 0.37 0.00 0.00 175.52 175.38 2dlx h ALA 34 N 1.32 0.01 -0.44 6.16 0.00 -1.21 -1.99 119.26 123.12 2dlx h ALA 34 Ca 0.24 0.13 0.08 0.00 0.00 0.00 0.00 54.91 55.36 2dlx h ALA 34 Cb 0.44 0.57 -0.09 0.00 0.00 0.00 0.00 17.79 18.71 2dlx h ALA 34 CO -0.55 -0.62 -0.39 0.87 0.00 0.00 0.00 179.25 178.56 2dlx h LYS 35 N -0.17 -0.27 -0.97 0.00 1.57 -1.22 -1.13 116.57 114.38 2dlx h LYS 35 Ca 0.19 0.02 0.16 0.00 -1.87 0.00 0.00 60.65 59.15 2dlx h LYS 35 Cb 0.48 0.06 -0.16 0.00 0.08 0.00 0.00 32.23 32.69 2dlx h LYS 35 CO -0.51 -0.18 -0.36 0.93 -0.57 0.00 0.00 179.45 178.75 2dlx h GLU 36 N -0.28 -0.01 0.02 3.15 4.39 -1.06 0.15 114.58 120.94 2dlx h GLU 36 Ca 0.16 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.88 2dlx h GLU 36 Cb 0.57 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.19 2dlx h GLU 36 CO -0.58 -0.01 -0.15 0.00 -1.16 0.00 0.00 179.01 177.11 2dlx n GLY 38 N -1.28 -0.73 0.10 0.00 0.00 0.53 -0.29 105.19 103.52 2dlx n GLY 38 Ca -0.05 0.64 -0.03 0.00 0.00 0.00 0.00 46.02 46.57 2dlx n GLY 38 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2dlx h GLN 39 N 0.00 -0.22 -0.79 1.61 4.20 -1.25 0.51 115.11 119.17 2dlx h GLN 39 Ca 0.76 0.01 0.17 0.00 0.06 0.00 0.00 58.65 59.65 2dlx h GLN 39 Cb 2.53 0.05 -0.11 0.00 0.30 0.00 0.00 27.48 30.25 2dlx h GLN 39 CO -0.35 -0.15 0.29 0.52 -0.67 0.00 0.00 178.83 178.48 2dlx h MET 40 N -0.46 0.38 0.00 1.46 2.86 -0.98 0.23 114.93 118.42 2dlx h MET 40 Ca -0.02 -0.02 -0.10 0.00 -2.06 0.00 0.00 59.70 57.50 2dlx h MET 40 Cb 0.17 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.74 2dlx h MET 40 CO 0.04 0.25 -0.47 1.96 1.06 0.00 0.00 176.91 179.75 2dlx h GLN 41 N 0.39 0.00 -4.64 1.72 1.08 -0.75 -3.48 115.11 109.43 2dlx h GLN 41 Ca 0.46 0.00 -0.28 0.00 -1.45 0.00 0.00 58.65 57.38 2dlx h GLN 41 Cb 0.77 0.00 0.11 0.00 -0.05 0.00 0.00 27.48 28.31 2dlx h GLN 41 CO -0.47 0.47 -0.53 0.09 -0.95 0.00 0.00 178.83 177.44 2dlx n ASN 42 N -3.34 -4.07 -4.11 1.46 4.13 0.17 -5.03 115.26 104.46 2dlx n ASN 42 Ca 0.01 -0.42 -0.20 0.00 1.68 0.00 0.00 54.58 55.64 2dlx n ASN 42 Cb 0.65 -3.89 -0.14 0.00 -1.54 0.00 0.00 39.78 34.86 2dlx n ASN 42 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2dlx s LYS 43 N -5.62 0.97 1.06 3.52 1.02 -0.33 -4.27 119.74 116.10 2dlx s LYS 43 Ca 0.28 -0.61 -0.14 0.00 0.02 0.00 0.00 55.97 55.52 2dlx s LYS 43 Cb -0.12 -0.95 0.16 0.00 -0.52 0.00 0.00 37.83 36.40 2dlx s LYS 43 CO 0.54 0.25 0.66 0.91 -0.92 0.00 0.00 175.35 176.79 2dlx n TRP 44 N 2.30 -0.90 -4.13 3.18 7.02 -0.30 -4.56 117.44 120.06 2dlx n TRP 44 Ca -0.16 0.12 -0.34 0.00 -1.02 0.00 0.00 57.50 56.09 2dlx n TRP 44 Cb 0.55 -1.75 -0.14 0.00 -2.42 0.00 0.00 31.31 27.56 2dlx n TRP 44 CO 0.00 0.00 0.00 -1.17 -2.02 0.00 0.00 177.69 174.50 2dlx s LEU 45 N -4.32 2.93 -0.25 -0.99 2.96 -1.12 0.37 118.68 118.26 2dlx s LEU 45 Ca 0.63 -0.34 -0.03 0.00 -0.22 0.00 0.00 54.13 54.17 2dlx s LEU 45 Cb -0.21 -1.73 0.01 0.00 0.50 0.00 0.00 46.19 44.77 2dlx s LEU 45 CO 0.64 0.04 -0.03 -0.32 -1.32 0.00 0.00 176.35 175.36 2dlx s MET 46 N 1.12 3.08 -0.09 1.98 -2.45 -0.78 -2.03 119.30 120.12 2dlx s MET 46 Ca 0.01 -0.83 0.01 0.00 -1.25 0.00 0.00 55.69 53.63 2dlx s MET 46 Cb -0.15 -3.06 -0.03 0.00 1.25 0.00 0.00 34.83 32.85 2dlx s MET 46 CO -0.01 -0.33 -0.09 0.42 1.05 0.00 0.00 175.02 176.06 2dlx s ILE 47 N 1.41 3.50 -0.06 10.11 1.01 -1.24 -1.46 121.20 134.47 2dlx s ILE 47 Ca 0.03 -0.54 -0.02 0.00 0.00 0.00 0.00 60.65 60.12 2dlx s ILE 47 Cb -0.16 -2.44 0.03 0.00 0.01 0.00 0.00 42.46 39.90 2dlx s ILE 47 CO -0.03 0.57 0.04 0.21 0.00 0.00 0.00 174.94 175.73 2dlx s ASN 48 N -0.45 1.39 -0.22 3.58 3.04 -0.10 -3.84 114.94 118.35 2dlx s ASN 48 Ca 0.06 -0.03 -0.17 0.00 0.04 0.00 0.00 52.86 52.77 2dlx s ASN 48 Cb -0.12 -0.26 -0.04 0.00 -1.54 0.00 0.00 41.25 39.29 2dlx s ASN 48 CO 0.02 -0.24 0.44 -0.63 -3.04 0.00 0.00 177.10 173.65 2dlx s ILE 49 N 2.09 5.16 -0.15 -5.21 -1.09 -1.23 -3.02 121.20 117.76 2dlx s ILE 49 Ca 0.05 0.78 -0.07 0.00 -2.23 0.00 0.00 60.65 59.17 2dlx s ILE 49 Cb -0.12 -3.77 -0.04 0.00 -1.58 0.00 0.00 42.46 36.95 2dlx s ILE 49 CO -0.04 0.20 0.09 -1.10 -1.23 0.00 0.00 174.94 172.86 2dlx s GLN 50 N 1.61 3.68 0.11 2.79 -1.52 -1.24 -4.49 119.66 120.60 2dlx s GLN 50 Ca 0.20 -0.26 -0.30 0.00 -1.95 0.00 0.00 55.36 53.05 2dlx s GLN 50 Cb -0.15 -3.17 -0.06 0.00 -0.22 0.00 0.00 33.01 29.41 2dlx s GLN 50 CO 0.09 0.51 0.96 -0.80 -0.25 0.00 0.00 175.29 175.80 2dlx s ASN 51 N -0.29 7.50 0.37 5.90 0.01 -1.26 -3.76 114.94 123.40 2dlx s ASN 51 Ca 0.09 1.79 0.19 0.00 -0.71 0.00 0.00 52.86 54.22 2dlx s ASN 51 Cb -0.12 -2.59 1.18 0.00 0.41 0.00 0.00 41.25 40.13 2dlx s ASN 51 CO 0.01 -0.06 1.66 1.62 -1.51 0.00 0.00 177.10 178.83 2dlx h VAL 52 N 4.02 0.28 -1.85 1.60 3.04 -1.98 -3.37 116.25 117.98 2dlx h VAL 52 Ca -0.43 -0.09 -0.01 0.00 -1.01 0.00 0.00 66.70 65.16 2dlx h VAL 52 Cb 1.21 -0.01 -0.24 0.00 -2.01 0.00 0.00 31.29 30.23 2dlx h VAL 52 CO 0.72 0.05 -0.30 0.00 -1.01 0.00 0.00 177.57 177.02 2dlx s GLN 53 N -5.55 0.46 0.12 4.17 -2.07 -1.26 -5.16 119.66 110.37 2dlx s GLN 53 Ca -0.09 1.04 -0.24 0.00 -1.82 0.00 0.00 55.36 54.24 2dlx s GLN 53 Cb 0.30 0.37 0.08 0.00 -1.09 0.00 0.00 33.01 32.66 2dlx s GLN 53 CO 0.80 -0.41 0.66 0.34 -1.32 0.00 0.00 175.29 175.35 2dlx s ASP 54 N 2.74 -0.53 -0.16 12.60 -1.08 -1.26 -5.07 116.67 123.91 2dlx s ASP 54 Ca 0.06 0.03 -0.13 0.00 -0.52 0.00 0.00 52.55 51.99 2dlx s ASP 54 Cb -0.13 0.56 -0.23 0.00 -1.46 0.00 0.00 42.92 41.65 2dlx s ASP 54 CO -0.17 -0.89 0.31 -0.26 0.52 0.00 0.00 175.17 174.68 2dlx h PHE 55 N 2.04 0.29 -0.62 -5.34 -1.00 -2.00 -3.31 116.94 107.01 2dlx h PHE 55 Ca -0.31 -0.21 0.03 0.00 2.81 0.00 0.00 57.97 60.29 2dlx h PHE 55 Cb 1.29 -0.01 -0.03 0.00 3.61 0.00 0.00 35.95 40.80 2dlx h PHE 55 CO 0.24 1.66 0.41 0.00 -1.61 0.00 0.00 178.31 179.01 2dlx h ALA 56 N -0.17 1.65 0.29 2.45 0.00 -1.98 -0.77 119.26 120.73 2dlx h ALA 56 Ca -0.39 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 2dlx h ALA 56 Cb 1.72 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.31 2dlx h ALA 56 CO -0.04 0.29 -0.14 0.00 0.00 0.00 0.00 179.25 179.36 2dlx h GLN 58 N -0.63 0.37 -0.05 0.00 3.07 -1.58 -1.39 115.11 114.91 2dlx h GLN 58 Ca -0.04 -0.03 -0.10 0.00 0.09 0.00 0.00 58.65 58.57 2dlx h GLN 58 Cb 0.45 -0.08 -0.01 0.00 0.08 0.00 0.00 27.48 27.92 2dlx h GLN 58 CO 0.06 0.29 -0.44 0.00 0.09 0.00 0.00 178.83 178.83 2dlx h LEU 60 N 0.09 -0.38 -1.16 0.00 3.38 -0.40 -3.13 115.31 113.71 2dlx h LEU 60 Ca 0.01 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2dlx h LEU 60 Cb 0.82 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.67 2dlx h LEU 60 CO 0.06 -0.06 0.28 -1.13 0.09 0.00 0.00 178.44 177.69 2dlx h ASN 61 N -0.88 0.00 0.07 -0.43 -1.24 -1.53 0.11 115.58 111.68 2dlx h ASN 61 Ca -0.05 0.00 0.01 0.00 0.71 0.00 0.00 56.30 56.98 2dlx h ASN 61 Cb 0.35 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.35 2dlx h ASN 61 CO 0.08 0.00 -0.45 -0.09 -1.29 0.00 0.00 177.43 175.67 2dlx h ARG 62 N 0.00 -0.60 0.00 6.67 1.12 -1.44 -3.04 114.38 117.09 2dlx h ARG 62 Ca 0.00 0.04 -0.04 0.00 -1.11 0.00 0.00 59.98 58.87 2dlx h ARG 62 Cb 0.57 0.14 -0.01 0.00 -0.01 0.00 0.00 29.97 30.66 2dlx h ARG 62 CO 0.00 -0.40 -1.16 -0.25 -3.11 0.00 0.00 179.97 175.06 2dlx n ASP 63 N -5.01 4.41 0.10 -3.80 8.00 -0.99 -4.36 116.55 114.90 2dlx n ASP 63 Ca -0.07 -0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.39 2dlx n ASP 63 Cb 0.35 0.53 -0.02 0.00 -0.02 0.00 0.00 41.12 41.96 2dlx n ASP 63 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2dlx h VAL 64 N 0.00 0.00 -0.13 2.53 2.07 -0.97 -1.78 116.25 117.97 2dlx h VAL 64 Ca -0.06 -0.01 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 -2.73 0.40 -0.02 1.57 5.03 -1.22 -3.31 117.44 117.17 2dlx n TRP 65 Ca -0.03 -0.15 0.02 0.00 3.03 0.00 0.00 57.50 60.37 2dlx n TRP 65 Cb 0.10 -0.15 -0.08 0.00 -1.03 0.00 0.00 31.31 30.16 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 0.10 2.68 -4.69 -0.99 2.88 -1.13 -4.90 113.62 107.57 2dlx n SER 66 Ca 0.06 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.17 2dlx n SER 66 Cb 0.39 1.22 -0.03 0.00 -0.75 0.00 0.00 64.21 65.05 2dlx n SER 66 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 2dlx s ASN 67 N -3.50 7.15 0.21 -3.46 3.84 -0.68 -4.93 114.94 113.57 2dlx s ASN 67 Ca -0.04 1.69 -0.09 0.00 0.21 0.00 0.00 52.86 54.63 2dlx s ASN 67 Cb 0.05 -2.56 0.30 0.00 -0.55 0.00 0.00 41.25 38.49 2dlx s ASN 67 CO 0.41 -0.51 1.74 -0.08 -2.79 0.00 0.00 177.10 175.87 2dlx h GLU 68 N 7.25 0.39 -0.30 0.43 4.81 -1.91 0.15 114.58 125.41 2dlx h GLU 68 Ca -0.33 -0.02 0.09 0.00 -0.13 0.00 0.00 59.36 58.96 2dlx h GLU 68 Cb 1.16 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.44 2dlx h GLU 68 CO 0.86 0.26 0.45 0.00 -0.73 0.00 0.00 179.01 179.86 2dlx h ALA 69 N 1.44 1.90 0.00 2.92 0.00 -1.96 0.40 119.26 123.95 2dlx h ALA 69 Ca 0.32 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 2dlx h ALA 69 Cb 0.41 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 2dlx h ALA 69 CO -0.32 -0.61 -0.10 0.28 0.00 0.00 0.00 179.25 178.50 2dlx h VAL 70 N 0.00 0.01 -0.22 0.00 2.07 -0.99 -3.19 116.25 113.92 2dlx h VAL 70 Ca 0.14 -1.01 0.00 0.00 0.82 0.00 0.00 66.70 66.66 2dlx h VAL 70 Cb 1.05 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 2dlx h VAL 70 CO -0.00 0.00 0.14 0.11 0.02 0.00 0.00 177.57 177.85 2dlx h LYS 71 N -1.00 0.29 -0.31 1.57 6.56 -1.11 1.00 116.57 123.56 2dlx h LYS 71 Ca -0.00 -0.02 0.09 0.00 -1.06 0.00 0.00 60.65 59.66 2dlx h LYS 71 Cb 0.10 -0.07 -0.01 0.00 -0.57 0.00 0.00 32.23 31.68 2dlx h LYS 71 CO -0.00 0.19 0.28 -2.95 -2.06 0.00 0.00 179.45 174.91 2dlx h ASN 72 N 0.30 0.00 0.10 0.86 -1.07 -0.42 0.34 115.58 115.68 2dlx h ASN 72 Ca 0.08 0.00 -0.24 0.00 0.07 0.00 0.00 56.30 56.21 2dlx h ASN 72 Cb -0.03 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 36.22 2dlx h ASN 72 CO -0.02 0.00 -1.23 0.40 0.07 0.00 0.00 177.43 176.64 2dlx h ILE 73 N 0.00 1.12 0.00 6.14 2.04 -1.29 -2.74 117.51 122.77 2dlx h ILE 73 Ca 0.15 -2.38 0.00 0.00 1.00 0.00 0.00 64.86 63.63 2dlx h ILE 73 Cb 0.70 2.75 0.00 0.00 -0.74 0.00 0.00 36.82 39.54 2dlx h ILE 73 CO -0.00 0.65 0.00 -0.38 0.00 0.00 0.00 178.15 178.42 2dlx n ILE 74 N -4.05 0.62 -0.10 -0.67 5.41 0.26 -0.80 119.36 120.03 2dlx n ILE 74 Ca -0.24 0.15 -0.12 0.00 1.00 0.00 0.00 62.75 63.55 2dlx n ILE 74 Cb 0.84 -0.91 -0.11 0.00 -0.71 0.00 0.00 39.64 38.75 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 -1.31 0.83 -0.05 0.38 1.85 0.04 -0.62 116.66 117.78 2dlx n ARG 75 Ca 0.07 0.07 -0.03 0.00 -1.00 0.00 0.00 57.85 56.96 2dlx n ARG 75 Cb 0.13 -1.43 -0.01 0.00 -1.05 0.00 0.00 32.46 30.10 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 -0.45 2.89 4.57 -1.25 -3.41 114.58 116.93 2dlx h GLU 76 Ca -0.47 0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 57.60 2dlx h GLU 76 Cb 1.86 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 30.43 2dlx h GLU 76 CO -0.03 0.00 -0.18 0.45 -1.18 0.00 0.00 179.01 178.06 2dlx h HIS 77 N -0.66 1.00 -1.64 0.92 3.86 -1.20 -3.45 115.15 113.98 2dlx h HIS 77 Ca 0.00 -0.22 -0.60 0.00 -1.16 0.00 0.00 60.37 58.39 2dlx h HIS 77 Cb 0.31 -0.24 -0.13 0.00 1.06 0.00 0.00 27.41 28.41 2dlx h HIS 77 CO -0.13 0.99 -0.54 -0.06 0.86 0.00 0.00 177.93 179.04 2dlx s PHE 78 N -4.70 1.96 -0.39 2.45 0.40 -0.82 -1.15 117.98 115.73 2dlx s PHE 78 Ca -0.10 -1.01 -0.09 0.00 -0.60 0.00 0.00 56.93 55.13 2dlx s PHE 78 Cb 0.13 -1.45 0.06 0.00 0.51 0.00 0.00 43.02 42.27 2dlx s PHE 78 CO 0.85 0.07 0.21 0.42 0.70 0.00 0.00 175.22 177.47 2dlx s ILE 79 N -3.02 4.15 -0.08 0.64 -1.09 0.16 -2.76 121.20 119.20 2dlx s ILE 79 Ca 0.21 -1.26 -0.31 0.00 -2.23 0.00 0.00 60.65 57.05 2dlx s ILE 79 Cb 0.04 -3.46 -0.09 0.00 -1.58 0.00 0.00 42.46 37.37 2dlx s ILE 79 CO 0.11 -0.38 2.01 0.33 -1.23 0.00 0.00 174.94 175.78 2dlx n PHE 80 N 4.89 2.28 -3.56 3.97 7.35 0.21 -1.87 117.46 130.74 2dlx n PHE 80 Ca -0.11 -0.16 -0.27 0.00 -0.76 0.00 0.00 57.45 56.15 2dlx n PHE 80 Cb 0.44 -2.73 -0.15 0.00 0.35 0.00 0.00 39.48 37.39 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 5.32 0.22 -0.15 -5.13 -0.00 -0.53 -4.12 118.94 114.55 2dlx s TRP 81 Ca 0.94 -0.60 0.02 0.00 -0.00 0.00 0.00 56.10 56.47 2dlx s TRP 81 Cb -0.53 -0.78 0.01 0.00 -0.00 0.00 0.00 33.47 32.17 2dlx s TRP 81 CO 0.45 -0.70 -0.21 -1.14 -0.00 0.00 0.00 176.95 175.34 2dlx s GLN 82 N 2.13 3.00 -0.03 5.86 0.74 -1.26 -0.92 119.66 129.18 2dlx s GLN 82 Ca 0.06 -0.84 -0.01 0.00 0.05 0.00 0.00 55.36 54.62 2dlx s GLN 82 Cb -0.16 -2.46 0.02 0.00 1.10 0.00 0.00 33.01 31.51 2dlx s GLN 82 CO -0.25 -0.07 0.06 0.14 -0.55 0.00 0.00 175.29 174.61 2dlx s VAL 83 N 0.95 -0.04 0.11 1.34 -7.23 -1.17 -5.02 120.40 109.36 2dlx s VAL 83 Ca -0.04 0.13 -0.30 0.00 -1.81 0.00 0.00 61.98 59.96 2dlx s VAL 83 Cb -0.15 -0.11 -0.06 0.00 0.56 0.00 0.00 36.38 36.62 2dlx s VAL 83 CO -0.05 0.05 1.14 -0.31 -0.31 0.00 0.00 175.10 175.62 2dlx s TYR 84 N 0.69 3.52 0.31 2.82 1.51 -1.26 -3.64 117.35 121.29 2dlx s TYR 84 Ca -0.06 1.46 0.07 0.00 -1.01 0.00 0.00 57.07 57.54 2dlx s TYR 84 Cb -0.08 -3.34 0.79 0.00 -0.11 0.00 0.00 41.96 39.23 2dlx s TYR 84 CO -0.02 -0.90 1.76 1.12 -1.11 0.00 0.00 175.55 176.39 2dlx h HIS 85 N 5.99 1.05 -0.19 2.71 2.07 -1.87 -1.26 115.15 123.66 2dlx h HIS 85 Ca -0.43 0.03 0.05 0.00 -2.85 0.00 0.00 60.37 57.18 2dlx h HIS 85 Cb 1.21 -0.31 -0.06 0.00 2.57 0.00 0.00 27.41 30.82 2dlx h HIS 85 CO 0.65 0.17 -0.26 0.22 -3.07 0.00 0.00 177.93 175.64 2dlx h ASP 86 N 0.69 -0.82 -3.57 3.10 3.58 -1.91 0.29 116.42 117.79 2dlx h ASP 86 Ca 0.60 0.14 -0.56 0.00 0.42 0.00 0.00 57.03 57.63 2dlx h ASP 86 Cb 1.02 0.37 0.18 0.00 1.72 0.00 0.00 39.33 42.62 2dlx h ASP 86 CO -0.42 -0.30 -0.03 -1.54 -2.88 0.00 0.00 179.24 174.07 2dlx n SER 87 N -5.38 0.10 -0.06 2.28 3.41 -0.47 -4.46 113.62 109.04 2dlx n SER 87 Ca -0.02 0.69 -0.05 0.00 -0.26 0.00 0.00 58.87 59.23 2dlx n SER 87 Cb 0.30 -1.35 -0.04 0.00 -0.26 0.00 0.00 64.21 62.86 2dlx n SER 87 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2dlx h GLU 88 N -0.09 -0.13 -1.01 4.33 4.81 -1.84 0.18 114.58 120.83 2dlx h GLU 88 Ca -0.47 0.01 0.41 0.00 -0.13 0.00 0.00 59.36 59.18 2dlx h GLU 88 Cb 1.35 0.03 -0.17 0.00 0.63 0.00 0.00 28.75 30.59 2dlx h GLU 88 CO 0.47 -0.08 0.57 0.39 -0.73 0.00 0.00 179.01 179.62 2dlx n GLU 89 N -3.67 -0.05 0.06 1.92 4.71 -1.26 -0.34 120.64 122.01 2dlx n GLU 89 Ca -0.01 1.31 -0.11 0.00 -0.01 0.00 0.00 57.16 58.34 2dlx n GLU 89 Cb 0.12 -2.39 -0.08 0.00 -1.01 0.00 0.00 31.44 28.09 2dlx n GLU 89 CO 0.00 0.00 0.00 0.78 0.09 0.00 0.00 177.13 178.00 2dlx h GLY 90 N 0.00 -0.25 -0.95 0.62 0.00 -0.87 -2.96 103.07 98.66 2dlx h GLY 90 Ca 0.82 0.09 0.23 0.00 0.00 0.00 0.00 47.33 48.47 2dlx h GLY 90 CO -0.70 -0.09 -0.13 1.46 0.00 0.00 0.00 176.54 177.08 2dlx h GLN 91 N -0.85 0.00 -0.50 4.80 1.08 0.26 0.64 115.11 120.54 2dlx h GLN 91 Ca -0.02 -0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.15 2dlx h GLN 91 Cb 0.52 -0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.93 2dlx h GLN 91 CO 0.04 0.00 0.21 0.00 -0.95 0.00 0.00 178.83 178.14 2dlx h ARG 92 N 0.00 0.74 -0.78 1.46 3.08 -1.51 -2.94 114.38 114.44 2dlx h ARG 92 Ca 0.52 -0.13 0.18 0.00 0.07 0.00 0.00 59.98 60.62 2dlx h ARG 92 Cb 0.92 -0.12 -0.14 0.00 0.08 0.00 0.00 29.97 30.71 2dlx h ARG 92 CO -0.97 0.65 -0.01 -0.92 -1.07 0.00 0.00 179.97 177.64 2dlx h TYR 93 N 0.67 -0.09 -0.56 3.04 5.03 0.47 -0.18 116.97 125.34 2dlx h TYR 93 Ca 0.17 0.06 0.08 0.00 2.58 0.00 0.00 58.73 61.62 2dlx h TYR 93 Cb 0.17 0.16 -0.10 0.00 1.55 0.00 0.00 36.73 38.51 2dlx h TYR 93 CO 0.00 -0.27 -0.45 0.82 -1.32 0.00 0.00 178.16 176.95 2dlx h ILE 94 N 0.08 0.08 -0.58 1.81 2.04 -1.27 -0.54 117.51 119.13 2dlx h ILE 94 Ca 0.43 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 66.24 2dlx h ILE 94 Cb 0.76 0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 2dlx h ILE 94 CO -0.71 0.00 0.19 1.56 0.00 0.00 0.00 178.15 179.19 2dlx h GLN 95 N -0.25 0.91 -0.51 2.37 1.08 -1.26 0.88 115.11 118.33 2dlx h GLN 95 Ca 0.17 -0.19 0.05 0.00 -1.45 0.00 0.00 58.65 57.22 2dlx h GLN 95 Cb 0.57 -0.13 -0.06 0.00 -0.05 0.00 0.00 27.48 27.80 2dlx h GLN 95 CO -0.68 0.81 -0.30 0.34 -0.95 0.00 0.00 178.83 178.06 2dlx n PHE 96 N -4.42 -0.22 -0.56 2.96 -0.00 -0.22 -1.00 117.46 113.99 2dlx n PHE 96 Ca 0.03 0.64 0.07 0.00 -0.00 0.00 0.00 57.45 58.18 2dlx n PHE 96 Cb 0.20 -0.50 0.18 0.00 -0.00 0.00 0.00 39.48 39.37 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 -4.26 0.59 -3.75 -5.13 4.02 -1.13 -4.97 117.16 102.54 2dlx n TYR 97 Ca 0.01 -0.69 -0.27 0.00 -0.01 0.00 0.00 57.90 56.94 2dlx n TYR 97 Cb 0.13 -0.16 0.05 0.00 -0.02 0.00 0.00 39.34 39.34 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 -0.14 -6.58 -1.84 -0.72 4.01 0.25 -4.92 118.16 108.23 2dlx n LYS 98 Ca 0.15 0.70 -0.38 0.00 -0.51 0.00 0.00 58.31 58.27 2dlx n LYS 98 Cb 0.62 -5.67 0.04 0.00 -0.51 0.00 0.00 35.03 29.51 2dlx n LYS 98 CO 0.00 0.00 0.00 -1.17 -1.11 0.00 0.00 177.40 175.12 2dlx s LEU 99 N -7.28 3.86 -0.22 -0.35 0.20 0.17 -4.94 118.68 110.11 2dlx s LEU 99 Ca 0.63 2.70 0.08 0.00 0.69 0.00 0.00 54.13 58.23 2dlx s LEU 99 Cb -0.30 -4.28 0.27 0.00 -0.43 0.00 0.00 46.19 41.45 2dlx s LEU 99 CO 0.77 -1.51 1.35 0.61 -0.29 0.00 0.00 176.35 177.29 2dlx n GLY 100 N 0.69 1.50 3.48 7.98 0.00 -1.26 -4.82 105.19 112.76 2dlx n GLY 100 Ca 0.10 -0.11 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.07 -0.46 0.02 1.61 2.15 -1.26 -5.19 116.67 112.46 2dlx s ASP 101 Ca 0.06 0.07 -0.13 0.00 0.43 0.00 0.00 52.55 52.97 2dlx s ASP 101 Cb 0.29 0.47 0.02 0.00 -0.30 0.00 0.00 42.92 43.40 2dlx s ASP 101 CO -0.08 -0.74 0.28 -0.36 -0.17 0.00 0.00 175.17 174.10 2dlx s PHE 102 N -3.14 -0.11 0.79 -5.34 0.08 -1.26 -4.22 117.98 104.78 2dlx s PHE 102 Ca 0.02 0.05 -0.11 0.00 0.12 0.00 0.00 56.93 57.01 2dlx s PHE 102 Cb -0.01 0.07 0.07 0.00 -0.57 0.00 0.00 43.02 42.58 2dlx s PHE 102 CO -0.09 -0.44 1.09 -1.25 -0.10 0.00 0.00 175.22 174.43 2dlx s PRO 103 N -2.01 2.09 -0.10 0.24 0.04 -1.26 -5.07 135.00 128.93 2dlx s PRO 103 Ca -0.09 1.11 -0.02 0.00 0.04 0.00 0.00 61.00 62.05 2dlx s PRO 103 Cb -0.03 -1.88 0.03 0.00 0.04 0.00 0.00 34.50 32.66 2dlx s PRO 103 CO -0.00 -1.74 -0.00 -0.47 0.04 0.00 0.00 177.00 174.83 2dlx s TYR 104 N -2.91 0.82 -0.04 0.56 6.14 -1.26 -4.72 117.35 115.95 2dlx s TYR 104 Ca 0.61 -0.35 -0.02 0.00 0.64 0.00 0.00 57.07 57.96 2dlx s TYR 104 Cb -0.17 -0.89 0.03 0.00 0.42 0.00 0.00 41.96 41.35 2dlx s TYR 104 CO 0.56 -0.40 0.05 0.08 0.64 0.00 0.00 175.55 176.48 2dlx s VAL 105 N 1.92 -0.09 0.05 3.14 1.01 -0.99 -3.48 120.40 121.95 2dlx s VAL 105 Ca 0.04 0.38 -0.07 0.00 0.00 0.00 0.00 61.98 62.32 2dlx s VAL 105 Cb -0.13 -0.14 -0.00 0.00 0.00 0.00 0.00 36.38 36.11 2dlx s VAL 105 CO -0.06 0.16 0.15 -0.94 0.00 0.00 0.00 175.10 174.41 2dlx s SER 106 N 1.90 0.12 -0.04 3.32 1.04 -1.25 -1.94 113.70 116.85 2dlx s SER 106 Ca 0.02 -0.49 -0.10 0.00 0.48 0.00 0.00 55.95 55.85 2dlx s SER 106 Cb -0.12 0.27 -0.05 0.00 0.10 0.00 0.00 66.02 66.22 2dlx s SER 106 CO -0.03 -0.56 0.28 -0.63 0.98 0.00 0.00 173.24 173.28 2dlx s ILE 107 N -2.79 5.26 0.20 -1.02 1.01 -1.24 -3.66 121.20 118.96 2dlx s ILE 107 Ca -0.03 0.48 0.08 0.00 0.00 0.00 0.00 60.65 61.17 2dlx s ILE 107 Cb -0.00 -3.56 -0.05 0.00 0.01 0.00 0.00 42.46 38.86 2dlx s ILE 107 CO -0.05 0.55 -0.16 -0.22 0.00 0.00 0.00 174.94 175.06 2dlx s LEU 108 N -1.20 2.52 -0.28 2.97 2.96 -0.86 -0.24 118.68 124.56 2dlx s LEU 108 Ca 0.21 -0.97 -0.07 0.00 -0.22 0.00 0.00 54.13 53.08 2dlx s LEU 108 Cb -0.14 -0.74 -0.01 0.00 0.50 0.00 0.00 46.19 45.80 2dlx s LEU 108 CO 0.10 -0.12 0.07 -0.62 -1.32 0.00 0.00 176.35 174.47 2dlx s ASP 109 N -3.12 5.10 0.00 3.68 2.15 -0.95 -2.78 116.67 120.76 2dlx s ASP 109 Ca 0.21 -0.51 0.15 0.00 0.43 0.00 0.00 52.55 52.83 2dlx s ASP 109 Cb -0.03 -1.89 0.87 0.00 -0.30 0.00 0.00 42.92 41.57 2dlx s ASP 109 CO 0.07 -0.13 1.36 -0.81 -0.17 0.00 0.00 175.17 175.50 2dlx n PRO 110 N 4.89 0.40 -0.08 4.34 -0.04 -1.26 -0.53 135.00 142.73 2dlx n PRO 110 Ca -0.15 0.05 -0.06 0.00 -0.04 0.00 0.00 63.50 63.29 2dlx n PRO 110 Cb 0.49 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.43 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 -1.09 0.48 0.01 0.54 5.12 -1.26 -4.66 116.66 115.80 2dlx n ARG 111 Ca 0.10 0.41 -0.21 0.00 -1.93 0.00 0.00 57.85 56.23 2dlx n ARG 111 Cb 0.07 -1.59 -0.14 0.00 -1.16 0.00 0.00 32.46 29.64 2dlx n ARG 111 CO 0.00 0.00 0.00 1.79 -1.93 0.00 0.00 177.63 177.49 2dlx h THR 112 N -0.99 1.18 0.00 0.55 1.35 -2.00 -3.49 112.91 109.52 2dlx h THR 112 Ca 0.00 -2.43 0.00 0.00 -0.55 0.00 0.00 66.41 63.43 2dlx h THR 112 Cb 0.68 2.85 0.00 0.00 -1.73 0.00 0.00 68.15 69.95 2dlx h THR 112 CO 0.00 0.69 0.00 0.61 -0.25 0.00 0.00 175.52 176.57 2dlx n GLY 113 N 1.70 1.81 3.36 5.82 0.00 0.31 -5.07 105.19 113.13 2dlx n GLY 113 Ca -0.22 -0.01 -0.21 0.00 0.00 0.00 0.00 46.02 45.59 2dlx n GLY 113 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2dlx s GLN 114 N -0.84 1.38 0.35 1.61 -2.07 -1.25 -4.92 119.66 113.92 2dlx s GLN 114 Ca 0.00 -1.55 -0.27 0.00 -1.82 0.00 0.00 55.36 51.73 2dlx s GLN 114 Cb 0.00 -1.34 -0.09 0.00 -1.09 0.00 0.00 33.01 30.49 2dlx s GLN 114 CO 0.00 0.25 1.11 0.21 -1.32 0.00 0.00 175.29 175.54 2dlx s LYS 115 N -3.25 4.32 0.00 9.60 2.20 -1.26 -2.24 119.74 129.11 2dlx s LYS 115 Ca 0.21 1.74 0.00 0.00 -0.36 0.00 0.00 55.97 57.56 2dlx s LYS 115 Cb -0.04 -2.84 0.00 0.00 -1.51 0.00 0.00 37.83 33.44 2dlx s LYS 115 CO 0.08 -0.06 0.00 1.28 -0.36 0.00 0.00 175.35 176.29 2dlx n LEU 116 N 0.47 0.08 -4.86 5.43 4.32 0.66 -4.94 117.00 118.16 2dlx n LEU 116 Ca 0.02 0.04 -0.25 0.00 -0.02 0.00 0.00 56.01 55.80 2dlx n LEU 116 Cb 0.47 -0.37 -0.03 0.00 -1.62 0.00 0.00 43.42 41.87 2dlx n LEU 116 CO 0.50 -0.37 -0.01 0.68 -1.22 0.00 0.00 177.39 176.98 2dlx s VAL 117 N -0.73 1.94 -0.03 4.08 -7.23 -1.25 -5.00 120.40 112.17 2dlx s VAL 117 Ca 0.00 -1.52 -0.01 0.00 -1.81 0.00 0.00 61.98 58.64 2dlx s VAL 117 Cb 0.00 -2.45 0.03 0.00 0.56 0.00 0.00 36.38 34.52 2dlx s VAL 117 CO 0.00 0.00 0.05 -1.83 -0.31 0.00 0.00 175.10 173.01 2dlx s GLU 118 N -4.17 -0.05 -0.05 4.82 -1.05 -1.26 -3.66 118.70 113.28 2dlx s GLU 118 Ca 0.37 0.30 -0.00 0.00 -0.15 0.00 0.00 54.97 55.49 2dlx s GLU 118 Cb -0.01 -0.36 0.03 0.00 -0.44 0.00 0.00 34.13 33.34 2dlx s GLU 118 CO 0.22 -0.25 -0.01 -1.58 0.95 0.00 0.00 175.26 174.60 2dlx s TRP 119 N 1.62 0.52 -0.21 4.83 0.51 -0.82 -5.04 118.94 120.36 2dlx s TRP 119 Ca -0.02 -0.09 -0.14 0.00 -2.12 0.00 0.00 56.10 53.73 2dlx s TRP 119 Cb -0.12 -0.60 -0.19 0.00 -0.81 0.00 0.00 33.47 31.75 2dlx s TRP 119 CO -0.03 -0.21 0.09 0.72 -0.51 0.00 0.00 176.95 177.01 2dlx n HIS 120 N 4.47 0.77 -5.16 -1.98 8.25 -1.26 -2.36 115.22 117.94 2dlx n HIS 120 Ca -0.19 0.26 -0.30 0.00 -0.26 0.00 0.00 57.72 57.23 2dlx n HIS 120 Cb 0.50 -1.09 -0.16 0.00 1.12 0.00 0.00 29.99 30.36 2dlx n HIS 120 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 2dlx s GLN 121 N -2.46 2.32 0.16 -0.41 0.74 -1.26 -4.33 119.66 114.42 2dlx s GLN 121 Ca -0.30 -0.83 -0.00 0.00 0.05 0.00 0.00 55.36 54.27 2dlx s GLN 121 Cb 0.08 -2.00 -0.04 0.00 1.10 0.00 0.00 33.01 32.15 2dlx s GLN 121 CO 0.62 0.36 0.05 -0.51 -0.55 0.00 0.00 175.29 175.26 2dlx s LEU 122 N -0.15 1.80 0.28 3.68 1.43 -1.26 -5.00 118.68 119.45 2dlx s LEU 122 Ca -0.03 -1.23 -0.06 0.00 -1.03 0.00 0.00 54.13 51.79 2dlx s LEU 122 Cb -0.13 0.19 -0.01 0.00 0.03 0.00 0.00 46.19 46.27 2dlx s LEU 122 CO 0.03 -0.70 0.40 -1.81 0.23 0.00 0.00 176.35 174.51 2dlx s ASP 123 N -3.11 0.37 0.14 2.29 1.01 -1.26 -4.91 116.67 111.20 2dlx s ASP 123 Ca 0.26 -1.25 -0.18 0.00 0.71 0.00 0.00 52.55 52.09 2dlx s ASP 123 Cb 0.07 0.57 0.03 0.00 1.01 0.00 0.00 42.92 44.60 2dlx s ASP 123 CO 0.04 -1.14 1.72 0.58 0.21 0.00 0.00 175.17 176.59 2dlx h VAL 124 N 2.27 0.82 0.14 -1.27 2.07 -1.92 0.41 116.25 118.77 2dlx h VAL 124 Ca -0.29 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 2dlx h VAL 124 Cb 1.25 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.71 2dlx h VAL 124 CO 0.40 0.02 -0.07 -1.28 0.02 0.00 0.00 177.57 176.67 2dlx h SER 125 N 0.12 -0.16 -0.29 0.57 0.87 -1.99 -3.21 113.55 109.47 2dlx h SER 125 Ca 0.14 -0.15 0.07 0.00 -1.23 0.00 0.00 61.79 60.62 2dlx h SER 125 Cb 0.17 0.04 -0.08 0.00 -0.44 0.00 0.00 62.40 62.09 2dlx h SER 125 CO -0.21 0.38 -0.32 0.28 -0.53 0.00 0.00 176.83 176.43 2dlx h SER 126 N -1.02 -1.03 -0.14 6.23 0.02 -1.96 0.20 113.55 115.85 2dlx h SER 126 Ca -0.02 0.17 0.01 0.00 -0.84 0.00 0.00 61.79 61.12 2dlx h SER 126 Cb 0.29 0.47 -0.02 0.00 0.14 0.00 0.00 62.40 63.28 2dlx h SER 126 CO 0.03 -0.33 -0.14 0.15 -1.14 0.00 0.00 176.83 175.40 2dlx h PHE 127 N -0.31 -0.44 -0.52 3.45 3.57 -0.33 0.74 116.94 123.12 2dlx h PHE 127 Ca 0.14 0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.77 2dlx h PHE 127 Cb 0.53 0.21 -0.09 0.00 2.79 0.00 0.00 35.95 39.39 2dlx h PHE 127 CO -0.48 -0.11 -0.09 -0.07 -2.23 0.00 0.00 178.31 175.33 2dlx h LEU 128 N -0.07 -0.40 -0.71 0.59 3.38 -1.50 0.11 115.31 116.72 2dlx h LEU 128 Ca 0.02 0.15 0.16 0.00 0.09 0.00 0.00 57.88 58.29 2dlx h LEU 128 Cb 0.13 0.29 -0.12 0.00 0.09 0.00 0.00 40.66 41.06 2dlx h LEU 128 CO -0.17 -0.14 0.05 -0.78 0.09 0.00 0.00 178.44 177.49 2dlx h ASP 129 N 0.03 -0.22 0.21 -0.43 1.82 0.08 0.11 116.42 118.02 2dlx h ASP 129 Ca 0.25 0.17 -0.01 0.00 -0.39 0.00 0.00 57.03 57.05 2dlx h ASP 129 Cb 0.39 0.28 0.00 0.00 0.68 0.00 0.00 39.33 40.68 2dlx h ASP 129 CO -0.50 -0.12 -0.10 1.56 -1.61 0.00 0.00 179.24 178.47 2dlx h GLN 130 N 0.15 -0.27 -0.81 0.28 4.20 0.60 -2.79 115.11 116.46 2dlx h GLN 130 Ca 0.39 0.02 0.07 0.00 0.06 0.00 0.00 58.65 59.19 2dlx h GLN 130 Cb 0.66 0.06 -0.10 0.00 0.30 0.00 0.00 27.48 28.40 2dlx h GLN 130 CO -0.58 -0.18 -0.48 0.28 -0.67 0.00 0.00 178.83 177.20 2dlx n VAL 131 N -3.50 -0.55 -0.16 -0.54 0.31 0.23 0.08 118.33 114.20 2dlx n VAL 131 Ca -0.04 2.24 -0.05 0.00 -0.01 0.00 0.00 64.34 66.49 2dlx n VAL 131 Cb 0.11 -2.79 0.02 0.00 -0.91 0.00 0.00 33.84 30.27 2dlx n VAL 131 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 2dlx h THR 132 N 0.00 0.29 -0.56 2.52 1.35 -0.92 0.14 112.91 115.73 2dlx h THR 132 Ca 0.13 0.00 0.01 0.00 -0.55 0.00 0.00 66.41 66.00 2dlx h THR 132 Cb 0.33 0.29 -0.03 0.00 -1.73 0.00 0.00 68.15 67.02 2dlx h THR 132 CO -0.77 0.00 0.37 1.23 -0.25 0.00 0.00 175.52 176.10 2dlx h GLY 133 N -0.14 0.78 0.74 5.82 0.00 -0.58 -2.43 103.07 107.27 2dlx h GLY 133 Ca 0.23 -0.29 -0.03 0.00 0.00 0.00 0.00 47.33 47.24 2dlx h GLY 133 CO -0.59 0.28 -0.04 -2.75 0.00 0.00 0.00 176.54 173.44 2dlx h PHE 134 N 0.74 0.29 -0.93 5.60 3.04 0.22 0.11 116.94 126.00 2dlx h PHE 134 Ca 0.21 -0.06 0.10 0.00 3.98 0.00 0.00 57.97 62.19 2dlx h PHE 134 Cb -0.07 -0.07 -0.08 0.00 2.56 0.00 0.00 35.95 38.30 2dlx h PHE 134 CO -0.00 0.56 0.58 -0.07 -2.02 0.00 0.00 178.31 177.35 2dlx h LEU 135 N -0.05 0.86 -0.01 0.59 3.38 -0.58 0.33 115.31 119.83 2dlx h LEU 135 Ca 0.03 0.04 -0.19 0.00 0.09 0.00 0.00 57.88 57.85 2dlx h LEU 135 Cb 0.46 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 2dlx h LEU 135 CO 0.01 0.49 -0.90 1.23 0.09 0.00 0.00 178.44 179.37 2dlx h GLY 136 N 0.96 0.00 0.17 0.83 0.00 -1.37 -2.33 103.07 101.33 2dlx h GLY 136 Ca 0.44 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.77 2dlx h GLY 136 CO -0.24 0.00 -0.08 -2.09 0.00 0.00 0.00 176.54 174.13 2dlx h GLU 137 N 0.00 -0.22 0.04 4.80 4.81 0.20 -3.42 114.58 120.80 2dlx h GLU 137 Ca -0.01 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2dlx h GLU 137 Cb 1.69 0.05 0.00 0.00 0.63 0.00 0.00 28.75 31.12 2dlx h GLU 137 CO 0.12 -0.15 -0.02 0.45 -0.73 0.00 0.00 179.01 178.68 2dlx h HIS 138 N -0.84 -0.05 0.00 0.92 3.86 -0.55 -3.51 115.15 114.98 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 0.17 0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.66 2dlx h HIS 138 CO 0.01 -0.03 0.00 0.41 0.86 0.00 0.00 177.93 179.18 2dlx n GLY 139 N 1.42 3.00 3.57 2.45 0.00 -0.88 -5.05 105.19 109.71 2dlx n GLY 139 Ca -0.01 -1.56 -0.29 0.00 0.00 0.00 0.00 46.02 44.17 2dlx n GLY 139 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2dlx s GLN 140 N -4.94 -0.22 1.18 1.61 -2.07 -1.26 -4.98 119.66 108.97 2dlx s GLN 140 Ca 0.00 0.81 -0.16 0.00 -1.82 0.00 0.00 55.36 54.19 2dlx s GLN 140 Cb 0.00 -1.64 0.22 0.00 -1.09 0.00 0.00 33.01 30.50 2dlx s GLN 140 CO 0.00 -3.25 0.51 1.28 -1.32 0.00 0.00 175.29 172.51 2dlx n LEU 141 N -4.58 -2.04 -4.73 2.60 4.32 -1.26 -4.90 117.00 106.41 2dlx n LEU 141 Ca 0.05 -0.23 -0.42 0.00 -0.02 0.00 0.00 56.01 55.39 2dlx n LEU 141 Cb 0.55 -1.08 -0.03 0.00 -1.62 0.00 0.00 43.42 41.24 2dlx n LEU 141 CO 0.57 -3.31 0.97 -0.62 -1.22 0.00 0.00 177.39 173.77 2dlx s ASP 142 N -2.15 6.95 0.00 -1.43 -1.08 -1.26 -4.66 116.67 113.04 2dlx s ASP 142 Ca 0.62 2.28 0.00 0.00 -0.52 0.00 0.00 52.55 54.93 2dlx s ASP 142 Cb -0.18 -2.60 0.00 0.00 -1.46 0.00 0.00 42.92 38.68 2dlx s ASP 142 CO 0.64 -0.52 0.00 0.61 0.52 0.00 0.00 175.17 176.42 2dlx n GLY 143 N 2.78 -0.14 3.81 2.66 0.00 -1.26 -4.95 105.19 108.09 2dlx n GLY 143 Ca 0.08 -0.78 -0.24 0.00 0.00 0.00 0.00 46.02 45.08 2dlx n GLY 143 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2dlx s LEU 144 N 0.00 3.80 0.01 0.99 0.05 -1.26 -4.90 118.68 117.37 2dlx s LEU 144 Ca 0.00 -0.18 -0.25 0.00 0.05 0.00 0.00 54.13 53.75 2dlx s LEU 144 Cb 0.00 -2.38 -0.15 0.00 -2.05 0.00 0.00 46.19 41.61 2dlx s LEU 144 CO 0.00 0.03 1.15 0.28 -0.55 0.00 0.00 176.35 177.26 2dlx h SER 145 N 2.04 -0.50 -3.46 1.48 0.02 -1.98 -3.45 113.55 107.70 2dlx h SER 145 Ca -0.48 -0.10 -0.25 0.00 -0.84 0.00 0.00 61.79 60.12 2dlx h SER 145 Cb 1.22 0.13 -0.32 0.00 0.14 0.00 0.00 62.40 63.57 2dlx h SER 145 CO 0.62 -0.13 -0.61 -0.44 -1.14 0.00 0.00 176.83 175.13 2dlx s SER 146 N -4.87 -0.09 0.65 3.07 0.01 -1.26 -5.16 113.70 106.05 2dlx s SER 146 Ca -0.14 0.26 -0.12 0.00 1.31 0.00 0.00 55.95 57.27 2dlx s SER 146 Cb 0.02 0.16 -0.02 0.00 0.21 0.00 0.00 66.02 66.39 2dlx s SER 146 CO 0.49 -0.14 1.04 -0.55 0.41 0.00 0.00 173.24 174.49 2dlx s SER 147 N 1.10 5.77 -0.05 2.44 0.15 -1.26 -5.03 113.70 116.82 2dlx s SER 147 Ca -0.09 1.58 -0.20 0.00 0.70 0.00 0.00 55.95 57.95 2dlx s SER 147 Cb -0.11 -2.49 -0.05 0.00 -1.71 0.00 0.00 66.02 61.66 2dlx s SER 147 CO -0.05 -1.18 0.58 -0.44 1.20 0.00 0.00 173.24 173.35 2dlx s SER 148 N -3.71 6.90 1.02 5.45 0.01 -1.26 -5.05 113.70 117.05 2dlx s SER 148 Ca 0.58 1.07 -0.13 0.00 1.31 0.00 0.00 55.95 58.77 2dlx s SER 148 Cb -0.13 -2.35 0.12 0.00 0.21 0.00 0.00 66.02 63.87 2dlx s SER 148 CO 0.50 0.04 0.59 0.61 0.41 0.00 0.00 173.24 175.40 2dlx n GLY 149 N 2.77 -1.74 0.00 3.44 0.00 -1.26 -4.83 105.19 103.57 2dlx n GLY 149 Ca -0.06 -0.82 0.06 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.94 0.49 -4.27 1.61 -0.04 -1.26 -4.73 135.00 123.85 2dlx n PRO 150 Ca 0.06 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.37 2dlx n PRO 150 Cb 0.55 -1.42 -0.10 0.00 -0.04 0.00 0.00 33.50 32.49 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 -1.92 1.41 0.08 3.54 1.04 -1.26 -5.07 113.70 111.52 2dlx s SER 151 Ca 0.19 -1.19 -0.31 0.00 0.48 0.00 0.00 55.95 55.13 2dlx s SER 151 Cb 0.09 0.08 -0.17 0.00 0.10 0.00 0.00 66.02 66.12 2dlx s SER 151 CO 0.15 -0.55 1.65 -1.28 0.98 0.00 0.00 173.24 174.19 2dlx h SER 152 N 2.62 -0.65 0.00 7.02 0.87 -2.01 -3.51 113.55 117.89 2dlx h SER 152 Ca -0.37 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.22 2dlx h SER 152 Cb 1.21 0.18 0.00 0.00 -0.44 0.00 0.00 62.40 63.35 2dlx h SER 152 CO 0.63 -0.44 0.00 0.61 -0.53 0.00 0.00 176.83 177.10