#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k6b s SER 1 N 0.00 3.02 0.37 1.61 0.01 -1.26 -4.75 113.70 112.70 2k6b s SER 1 Ca 0.00 1.22 0.06 0.00 1.31 0.00 0.00 55.95 58.54 2k6b s SER 1 Cb 0.00 -1.88 0.76 0.00 0.21 0.00 0.00 66.02 65.11 2k6b s SER 1 CO 0.00 -2.89 1.98 0.00 0.41 0.00 0.00 173.24 172.74 2k6b h ALA 2 N -1.73 1.70 -0.19 1.44 0.00 -2.05 -0.80 119.26 117.63 2k6b h ALA 2 Ca -0.53 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.25 2k6b h ALA 2 Cb 1.32 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 2k6b h ALA 2 CO 0.58 0.21 -0.29 0.22 0.00 0.00 0.00 179.25 179.97 2k6b h ASP 3 N 0.73 0.59 -0.79 0.00 3.58 -1.98 -1.82 116.42 116.73 2k6b h ASP 3 Ca 0.28 -0.52 0.06 0.00 0.42 0.00 0.00 57.03 57.26 2k6b h ASP 3 Cb 0.18 -0.17 -0.06 0.00 1.72 0.00 0.00 39.33 41.00 2k6b h ASP 3 CO -0.08 1.00 0.48 -0.33 -2.88 0.00 0.00 179.24 177.42 2k6b h GLU 4 N 0.20 0.85 -0.00 0.28 5.08 -1.63 0.30 114.58 119.66 2k6b h GLU 4 Ca 0.02 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2k6b h GLU 4 Cb 0.87 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.93 2k6b h GLU 4 CO 0.07 0.56 -0.00 0.93 -1.00 0.00 0.00 179.01 179.57 2k6b h GLU 5 N 0.88 0.00 -0.62 2.33 4.39 -1.19 -2.47 114.58 117.90 2k6b h GLU 5 Ca 0.34 -0.00 0.01 0.00 0.34 0.00 0.00 59.36 60.05 2k6b h GLU 5 Cb 0.16 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.78 2k6b h GLU 5 CO -0.17 0.50 0.41 1.25 -1.16 0.00 0.00 179.01 179.84 2k6b h LEU 6 N -0.50 0.70 -0.65 1.33 7.12 -0.98 -1.26 115.31 121.07 2k6b h LEU 6 Ca 0.00 -0.02 -0.09 0.00 0.13 0.00 0.00 57.88 57.91 2k6b h LEU 6 Cb 0.50 -0.17 -0.02 0.00 -0.53 0.00 0.00 40.66 40.44 2k6b h LEU 6 CO 0.00 0.51 0.05 1.05 -0.13 0.00 0.00 178.44 179.92 2k6b h GLU 7 N 0.83 1.10 -0.83 1.25 -0.00 -0.46 0.63 114.58 117.10 2k6b h GLU 7 Ca 0.23 -0.32 -0.03 0.00 -0.00 0.00 0.00 59.36 59.24 2k6b h GLU 7 Cb -0.08 -0.11 -0.04 0.00 -0.00 0.00 0.00 28.75 28.52 2k6b h GLU 7 CO -0.06 1.04 0.40 0.00 -0.00 0.00 0.00 179.01 180.39 2k6b h ALA 8 N 1.02 1.07 0.21 1.06 0.00 -0.92 0.51 119.26 122.22 2k6b h ALA 8 Ca 0.19 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2k6b h ALA 8 Cb 0.51 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2k6b h ALA 8 CO 0.02 0.64 -0.10 1.25 0.00 0.00 0.00 179.25 181.06 2k6b h LEU 9 N 1.19 -0.24 -0.20 0.00 6.46 -0.90 -2.14 115.31 119.48 2k6b h LEU 9 Ca 0.29 -0.24 0.02 0.00 -0.12 0.00 0.00 57.88 57.83 2k6b h LEU 9 Cb 0.12 0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 40.09 2k6b h LEU 9 CO -0.04 0.14 0.05 -0.09 -0.62 0.00 0.00 178.44 177.88 2k6b h ARG 10 N -0.64 0.13 -0.37 1.25 2.43 -0.61 -1.62 114.38 114.96 2k6b h ARG 10 Ca -0.03 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.18 2k6b h ARG 10 Cb 0.46 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.94 2k6b h ARG 10 CO 0.05 0.09 0.13 -0.09 -1.51 0.00 0.00 179.97 178.63 2k6b h ARG 11 N 0.14 0.27 -0.66 0.20 2.43 -0.02 0.24 114.38 116.98 2k6b h ARG 11 Ca 0.09 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.17 2k6b h ARG 11 Cb 0.07 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.53 2k6b h ARG 11 CO -0.10 0.18 0.13 0.37 -1.51 0.00 0.00 179.97 179.03 2k6b h GLN 12 N 0.28 1.07 -0.11 0.20 4.15 -1.18 -0.08 115.11 119.44 2k6b h GLN 12 Ca 0.17 -0.27 -0.12 0.00 0.77 0.00 0.00 58.65 59.20 2k6b h GLN 12 Cb 0.14 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.69 2k6b h GLN 12 CO -0.17 0.97 -0.45 0.00 -1.93 0.00 0.00 178.83 177.25 2k6b h ARG 13 N 1.01 0.26 -0.13 1.69 3.08 -0.38 -2.21 114.38 117.70 2k6b h ARG 13 Ca 0.20 -0.13 -0.09 0.00 0.07 0.00 0.00 59.98 60.03 2k6b h ARG 13 Cb 0.40 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 2k6b h ARG 13 CO 0.01 0.66 -0.34 -0.07 -1.07 0.00 0.00 179.97 179.16 2k6b h LEU 14 N 0.22 0.26 -0.87 3.04 3.38 -0.07 -0.75 115.31 120.51 2k6b h LEU 14 Ca 0.02 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 2k6b h LEU 14 Cb 0.88 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.52 2k6b h LEU 14 CO 0.07 0.59 0.46 0.00 0.09 0.00 0.00 178.44 179.65 2k6b h ALA 15 N 1.43 1.12 -0.11 1.53 0.00 -0.42 0.23 119.26 123.05 2k6b h ALA 15 Ca 0.03 -0.14 -0.14 0.00 0.00 0.00 0.00 54.91 54.65 2k6b h ALA 15 Cb 0.71 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2k6b h ALA 15 CO 0.05 0.65 -0.56 0.93 0.00 0.00 0.00 179.25 180.33 2k6b h GLU 16 N 1.23 0.33 0.00 0.00 5.08 -1.05 -1.55 114.58 118.62 2k6b h GLU 16 Ca 0.31 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 2k6b h GLU 16 Cb 0.06 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 2k6b h GLU 16 CO -0.05 0.80 -0.04 1.25 -1.00 0.00 0.00 179.01 179.97 2k6b h LEU 17 N 0.25 0.00 1.30 1.33 6.46 -0.66 -3.46 115.31 120.53 2k6b h LEU 17 Ca 0.00 0.00 -0.19 0.00 -0.12 0.00 0.00 57.88 57.57 2k6b h LEU 17 Cb 1.06 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.97 2k6b h LEU 17 CO 0.09 0.04 -0.24 0.00 -0.62 0.00 0.00 178.44 177.71 2k6b n GLN 18 N -3.14 -0.76 -3.28 1.25 6.02 0.54 -5.02 117.38 112.98 2k6b n GLN 18 Ca 0.01 0.50 -0.27 0.00 -0.01 0.00 0.00 57.00 57.24 2k6b n GLN 18 Cb 0.37 -4.53 -0.02 0.00 1.02 0.00 0.00 30.24 27.08 2k6b n GLN 18 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2k6b s ALA 19 N -2.47 3.63 0.46 -1.58 0.00 0.41 -5.00 121.76 117.21 2k6b s ALA 19 Ca 0.00 -0.69 -0.20 0.00 0.00 0.00 0.00 51.96 51.07 2k6b s ALA 19 Cb 0.00 -2.26 -0.10 0.00 0.00 0.00 0.00 23.12 20.77 2k6b s ALA 19 CO 0.00 0.08 0.99 0.21 0.00 0.00 0.00 175.76 177.04 2k6b s LYS 20 N -3.97 4.00 0.00 0.00 2.20 -1.26 -3.11 119.74 117.61 2k6b s LYS 20 Ca 0.43 1.22 0.00 0.00 -0.36 0.00 0.00 55.97 57.25 2k6b s LYS 20 Cb -0.10 -2.14 0.00 0.00 -1.51 0.00 0.00 37.83 34.08 2k6b s LYS 20 CO 0.34 -0.24 0.00 0.72 -0.36 0.00 0.00 175.35 175.81 2k6b n HIS 21 N -0.88 0.00 -1.88 4.03 8.25 -1.26 -4.93 115.22 118.56 2k6b n HIS 21 Ca 0.08 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.23 2k6b n HIS 21 Cb 0.53 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.68 2k6b n HIS 21 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2k6b n GLY 22 N -2.00 6.00 3.81 -1.41 0.00 -1.18 -4.72 105.19 105.68 2k6b n GLY 22 Ca 0.00 -2.54 -0.34 0.00 0.00 0.00 0.00 46.02 43.14 2k6b n GLY 22 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2k6b s ASP 23 N -2.56 6.95 -0.13 1.61 -4.77 -1.26 -3.36 116.67 113.13 2k6b s ASP 23 Ca 0.55 1.76 0.08 0.00 -3.30 0.00 0.00 52.55 51.64 2k6b s ASP 23 Cb 0.44 -2.55 0.47 0.00 -1.09 0.00 0.00 42.92 40.20 2k6b s ASP 23 CO -0.11 -0.35 1.23 -0.81 0.70 0.00 0.00 175.17 175.83 2k6b n PRO 24 N -0.42 3.22 0.00 2.11 -0.04 -1.26 -4.76 135.00 133.86 2k6b n PRO 24 Ca 0.06 -1.82 0.00 0.00 -0.04 0.00 0.00 63.50 61.70 2k6b n PRO 24 Cb 0.53 -1.92 0.00 0.00 -0.04 0.00 0.00 33.50 32.06 2k6b n PRO 24 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k6b n GLY 25 N 0.40 -3.32 0.27 0.55 0.00 -1.26 -1.04 105.19 100.79 2k6b n GLY 25 Ca 0.16 0.58 -0.08 0.00 0.00 0.00 0.00 46.02 46.69 2k6b n GLY 25 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2k6b h ASP 26 N 0.00 -0.77 -0.92 1.61 5.19 -1.94 0.23 116.42 119.82 2k6b h ASP 26 Ca 0.00 0.15 0.03 0.00 -0.62 0.00 0.00 57.03 56.58 2k6b h ASP 26 Cb 0.00 0.37 -0.05 0.00 0.18 0.00 0.00 39.33 39.83 2k6b h ASP 26 CO 0.00 -0.27 0.61 0.00 -3.12 0.00 0.00 179.24 176.46 2k6b h ALA 27 N 0.87 1.39 0.03 3.45 0.00 -1.91 -0.31 119.26 122.78 2k6b h ALA 27 Ca 0.15 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 2k6b h ALA 27 Cb 0.46 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2k6b h ALA 27 CO -0.41 0.53 -0.02 0.00 0.00 0.00 0.00 179.25 179.35 2k6b h ALA 28 N 1.45 -0.04 -0.14 0.00 0.00 -0.35 -3.24 119.26 116.94 2k6b h ALA 28 Ca 0.36 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2k6b h ALA 28 Cb -0.03 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2k6b h ALA 28 CO -0.10 -0.13 -0.07 -0.56 0.00 0.00 0.00 179.25 178.39 2k6b h GLN 29 N -0.83 0.20 -0.28 0.00 3.07 -0.29 0.35 115.11 117.34 2k6b h GLN 29 Ca -0.00 -0.04 -0.16 0.00 0.09 0.00 0.00 58.65 58.54 2k6b h GLN 29 Cb 0.70 -0.03 -0.00 0.00 0.08 0.00 0.00 27.48 28.23 2k6b h GLN 29 CO 0.01 0.29 -0.47 1.96 0.09 0.00 0.00 178.83 180.71 2k6b h GLN 30 N 0.20 0.81 -0.13 0.06 1.08 -1.19 0.18 115.11 116.11 2k6b h GLN 30 Ca 0.04 -0.50 -0.04 0.00 -1.45 0.00 0.00 58.65 56.70 2k6b h GLN 30 Cb 0.26 0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 27.74 2k6b h GLN 30 CO 0.01 1.13 -0.09 1.49 -0.95 0.00 0.00 178.83 180.42 2k6b h GLU 31 N 0.57 0.29 -0.62 1.46 4.81 -1.42 -1.78 114.58 117.90 2k6b h GLU 31 Ca 0.02 -0.14 0.06 0.00 -0.13 0.00 0.00 59.36 59.17 2k6b h GLU 31 Cb 1.07 -0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.39 2k6b h GLU 31 CO 0.11 0.66 0.32 0.00 -0.73 0.00 0.00 179.01 179.36 2k6b h ALA 32 N 0.63 0.82 -0.64 2.92 0.00 -0.29 0.44 119.26 123.15 2k6b h ALA 32 Ca 0.03 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 2k6b h ALA 32 Cb 0.59 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 2k6b h ALA 32 CO 0.02 -0.03 0.23 -0.22 0.00 0.00 0.00 179.25 179.26 2k6b h LYS 33 N 0.59 0.95 -0.26 0.00 1.63 -0.58 0.50 116.57 119.40 2k6b h LYS 33 Ca 0.28 -0.17 -0.13 0.00 -0.85 0.00 0.00 60.65 59.79 2k6b h LYS 33 Cb 0.21 -0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 31.68 2k6b h LYS 33 CO -0.20 0.80 -0.37 1.25 -3.45 0.00 0.00 179.45 177.48 2k6b h HIS 34 N 0.93 0.68 0.00 1.91 2.76 -0.32 -0.43 115.15 120.68 2k6b h HIS 34 Ca 0.21 -0.19 -0.10 0.00 -2.20 0.00 0.00 60.37 58.10 2k6b h HIS 34 Cb 0.22 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 29.01 2k6b h HIS 34 CO 0.02 0.87 -0.46 0.00 -1.30 0.00 0.00 177.93 177.05 2k6b h ARG 35 N 0.48 0.00 -0.38 5.26 3.08 -0.39 -2.71 114.38 119.72 2k6b h ARG 35 Ca 0.05 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.99 2k6b h ARG 35 Cb 0.87 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.91 2k6b h ARG 35 CO 0.07 0.46 -0.18 0.93 -1.07 0.00 0.00 179.97 180.19 2k6b h GLU 36 N 0.00 0.79 -0.71 0.04 4.39 -0.16 -1.92 114.58 117.02 2k6b h GLU 36 Ca -0.00 -0.34 0.04 0.00 0.34 0.00 0.00 59.36 59.39 2k6b h GLU 36 Cb 0.88 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.46 2k6b h GLU 36 CO 0.06 0.97 0.47 0.00 -1.16 0.00 0.00 179.01 179.35 2k6b h ALA 37 N 0.80 1.62 0.00 3.43 0.00 -0.79 0.38 119.26 124.71 2k6b h ALA 37 Ca 0.08 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 2k6b h ALA 37 Cb 0.73 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2k6b h ALA 37 CO 0.06 0.29 -0.00 0.93 0.00 0.00 0.00 179.25 180.53 2k6b h GLU 38 N 0.83 -0.00 0.06 0.00 4.39 -1.44 -3.35 114.58 115.06 2k6b h GLU 38 Ca 0.29 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.80 2k6b h GLU 38 Cb 0.11 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 2k6b h GLU 38 CO -0.09 0.87 -1.01 0.52 -1.16 0.00 0.00 179.01 178.14 2k6b h MET 39 N -0.98 0.12 0.00 2.33 2.86 -1.18 -3.38 114.93 114.69 2k6b h MET 39 Ca -0.00 -0.20 -0.08 0.00 -2.06 0.00 0.00 59.70 57.35 2k6b h MET 39 Cb 0.87 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.60 2k6b h MET 39 CO 0.00 1.10 -0.38 -0.09 1.06 0.00 0.00 176.91 178.59 2k6b h ARG 40 N -0.67 0.00 -0.34 1.72 9.65 -0.42 -2.55 114.38 121.77 2k6b h ARG 40 Ca -0.24 0.00 0.07 0.00 -1.10 0.00 0.00 59.98 58.71 2k6b h ARG 40 Cb 1.45 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 30.01 2k6b h ARG 40 CO -0.03 0.38 0.23 -0.97 2.80 0.00 0.00 179.97 182.39 2k6b h ASN 41 N 0.00 0.13 -0.77 -3.80 -1.24 -1.68 -1.82 115.58 106.40 2k6b h ASN 41 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 2k6b h ASN 41 Cb 0.85 -0.03 -0.04 0.00 0.73 0.00 0.00 38.32 39.84 2k6b h ASN 41 CO 0.05 0.08 0.49 0.28 -1.29 0.00 0.00 177.43 177.05 2k6b h SER 42 N 0.14 0.90 0.15 1.15 0.02 -1.66 0.95 113.55 115.21 2k6b h SER 42 Ca 0.15 -0.03 -0.27 0.00 -0.84 0.00 0.00 61.79 60.80 2k6b h SER 42 Cb 0.43 -0.23 0.02 0.00 0.14 0.00 0.00 62.40 62.76 2k6b h SER 42 CO -0.02 0.67 -1.10 0.16 -1.14 0.00 0.00 176.83 175.40 2k6b h ILE 43 N 1.06 1.32 -0.35 3.27 3.07 -1.51 -3.28 117.51 121.08 2k6b h ILE 43 Ca 0.28 -2.41 -0.02 0.00 1.55 0.00 0.00 64.86 64.27 2k6b h ILE 43 Cb -0.09 2.53 -0.02 0.00 -0.27 0.00 0.00 36.82 38.97 2k6b h ILE 43 CO -0.06 0.73 0.15 -0.07 -1.05 0.00 0.00 178.15 177.85 2k6b h LEU 44 N 0.30 0.43 -1.11 0.16 3.38 -1.05 0.42 115.31 117.85 2k6b h LEU 44 Ca -0.14 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.72 2k6b h LEU 44 Cb 1.76 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 42.39 2k6b h LEU 44 CO 0.21 0.39 -0.15 0.00 0.09 0.00 0.00 178.44 178.98 2k6b h ALA 45 N 1.68 1.26 0.00 1.53 0.00 -0.93 -2.24 119.26 120.56 2k6b h ALA 45 Ca 0.12 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2k6b h ALA 45 Cb 0.09 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2k6b h ALA 45 CO -0.01 0.49 -1.80 0.00 0.00 0.00 0.00 179.25 177.93 2k6b n GLN 46 N -4.19 0.63 -0.05 0.00 10.64 -0.22 -4.23 117.38 119.96 2k6b n GLN 46 Ca 0.00 -0.14 -0.16 0.00 -1.83 0.00 0.00 57.00 54.88 2k6b n GLN 46 Cb 0.33 -1.57 -0.07 0.00 -0.86 0.00 0.00 30.24 28.07 2k6b n GLN 46 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.06 175.51 2k6b h VAL 47 N 0.00 1.31 -3.34 -0.39 2.07 -0.25 -3.42 116.25 112.22 2k6b h VAL 47 Ca 0.00 -1.77 -0.56 0.00 0.82 0.00 0.00 66.70 65.19 2k6b h VAL 47 Cb 0.99 1.91 -0.05 0.00 -1.52 0.00 0.00 31.29 32.62 2k6b h VAL 47 CO 0.00 0.56 0.04 -0.76 0.02 0.00 0.00 177.57 177.43 2k6b s LEU 48 N -8.64 4.43 0.54 2.57 1.43 -0.84 -0.05 118.68 118.11 2k6b s LEU 48 Ca -0.12 1.25 -0.21 0.00 -1.03 0.00 0.00 54.13 54.02 2k6b s LEU 48 Cb 0.08 -3.02 -0.05 0.00 0.03 0.00 0.00 46.19 43.23 2k6b s LEU 48 CO 0.86 0.07 1.30 -0.62 0.23 0.00 0.00 176.35 178.20 2k6b s ASP 49 N -0.14 5.37 0.37 2.29 2.15 0.43 -4.69 116.67 122.44 2k6b s ASP 49 Ca 0.33 2.63 0.16 0.00 0.43 0.00 0.00 52.55 56.11 2k6b s ASP 49 Cb -0.19 -2.62 1.06 0.00 -0.30 0.00 0.00 42.92 40.86 2k6b s ASP 49 CO 0.19 -1.49 1.74 -0.61 -0.17 0.00 0.00 175.17 174.83 2k6b h GLN 50 N 1.44 0.41 -0.65 4.34 4.15 -1.89 0.24 115.11 123.16 2k6b h GLN 50 Ca -0.51 -0.02 -0.09 0.00 0.77 0.00 0.00 58.65 58.80 2k6b h GLN 50 Cb 1.29 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 28.86 2k6b h GLN 50 CO 0.57 0.27 0.07 0.77 -1.93 0.00 0.00 178.83 178.58 2k6b h SER 51 N 0.43 1.06 0.31 -0.69 0.02 -1.94 -0.06 113.55 112.68 2k6b h SER 51 Ca 0.64 -0.27 -0.22 0.00 -0.84 0.00 0.00 61.79 61.10 2k6b h SER 51 Cb 1.51 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 63.77 2k6b h SER 51 CO -0.39 1.07 -0.90 0.00 -1.14 0.00 0.00 176.83 175.47 2k6b h ALA 52 N 1.04 0.40 -0.55 3.77 0.00 -0.92 -1.83 119.26 121.18 2k6b h ALA 52 Ca 0.19 -0.69 -0.10 0.00 0.00 0.00 0.00 54.91 54.32 2k6b h ALA 52 Cb 0.49 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2k6b h ALA 52 CO 0.02 0.80 -0.04 -0.09 0.00 0.00 0.00 179.25 179.94 2k6b h ARG 53 N 0.25 1.00 -0.79 0.00 9.65 -0.64 0.72 114.38 124.57 2k6b h ARG 53 Ca -0.07 -0.34 -0.00 0.00 -1.10 0.00 0.00 59.98 58.47 2k6b h ARG 53 Cb 1.52 -0.08 -0.04 0.00 -1.39 0.00 0.00 29.97 29.99 2k6b h ARG 53 CO 0.16 1.02 0.48 0.00 2.80 0.00 0.00 179.97 184.42 2k6b h ALA 54 N 0.94 1.00 -0.86 2.80 0.00 -0.96 -0.23 119.26 121.97 2k6b h ALA 54 Ca 0.15 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2k6b h ALA 54 Cb 0.60 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 2k6b h ALA 54 CO 0.04 0.47 0.48 -0.09 0.00 0.00 0.00 179.25 180.14 2k6b h ARG 55 N 1.08 1.19 0.00 0.00 9.65 -0.77 -1.94 114.38 123.59 2k6b h ARG 55 Ca 0.28 -0.13 -0.13 0.00 -1.10 0.00 0.00 59.98 58.90 2k6b h ARG 55 Cb -0.05 -0.24 -0.02 0.00 -1.39 0.00 0.00 29.97 28.28 2k6b h ARG 55 CO -0.05 0.87 -0.62 1.25 2.80 0.00 0.00 179.97 184.21 2k6b h LEU 56 N 1.20 0.00 -0.71 3.80 5.85 -0.16 -0.60 115.31 124.69 2k6b h LEU 56 Ca 0.30 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.91 2k6b h LEU 56 Cb 0.02 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 2k6b h LEU 56 CO -0.05 0.62 -0.20 0.28 -0.34 0.00 0.00 178.44 178.76 2k6b h SER 57 N 0.00 0.80 -0.46 1.25 0.02 -0.63 0.18 113.55 114.71 2k6b h SER 57 Ca -0.01 -0.28 -0.08 0.00 -0.84 0.00 0.00 61.79 60.59 2k6b h SER 57 Cb 1.13 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 63.43 2k6b h SER 57 CO 0.08 0.98 0.00 -1.13 -1.14 0.00 0.00 176.83 175.62 2k6b h ASN 58 N 0.69 0.84 -0.54 3.07 -0.73 -0.97 -2.65 115.58 115.29 2k6b h ASN 58 Ca 0.10 -0.21 -0.11 0.00 1.87 0.00 0.00 56.30 57.95 2k6b h ASN 58 Cb 0.70 -0.22 -0.02 0.00 0.27 0.00 0.00 38.32 39.05 2k6b h ASN 58 CO 0.05 0.90 -0.08 0.25 -0.37 0.00 0.00 177.43 178.18 2k6b h LEU 59 N 0.81 1.01 -1.86 0.34 7.12 -0.53 -2.52 115.31 119.69 2k6b h LEU 59 Ca 0.15 -0.34 -0.02 0.00 0.13 0.00 0.00 57.88 57.80 2k6b h LEU 59 Cb 0.48 -0.28 -0.00 0.00 -0.53 0.00 0.00 40.66 40.33 2k6b h LEU 59 CO 0.02 1.12 -0.12 0.00 -0.13 0.00 0.00 178.44 179.33 2k6b h ALA 60 N 0.93 1.65 -0.41 1.25 0.00 -0.73 0.41 119.26 122.37 2k6b h ALA 60 Ca 0.14 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 2k6b h ALA 60 Cb 0.65 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2k6b h ALA 60 CO 0.04 0.15 -0.12 1.25 0.00 0.00 0.00 179.25 180.57 2k6b h LEU 61 N 0.00 0.82 0.03 0.00 5.85 -1.11 -3.32 115.31 117.58 2k6b h LEU 61 Ca -0.00 -0.37 -0.09 0.00 0.84 0.00 0.00 57.88 58.25 2k6b h LEU 61 Cb 0.23 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.03 2k6b h LEU 61 CO 0.02 1.00 -0.48 -0.37 -0.34 0.00 0.00 178.44 178.27 2k6b h VAL 62 N 0.62 1.52 -1.05 1.05 -1.51 -1.26 -3.46 116.25 112.15 2k6b h VAL 62 Ca 0.10 -2.34 0.04 0.00 -1.23 0.00 0.00 66.70 63.27 2k6b h VAL 62 Cb 0.66 3.07 -0.22 0.00 -2.13 0.00 0.00 31.29 32.68 2k6b h VAL 62 CO 0.05 0.57 -0.34 -1.59 -1.23 0.00 0.00 177.57 175.03 2k6b s LYS 63 N -2.30 0.55 0.00 5.19 -2.85 0.07 -5.04 119.74 115.37 2k6b s LYS 63 Ca -0.20 0.74 0.16 0.00 -1.00 0.00 0.00 55.97 55.67 2k6b s LYS 63 Cb -0.00 0.34 0.71 0.00 -2.06 0.00 0.00 37.83 36.82 2k6b s LYS 63 CO 0.69 -0.84 1.51 -0.35 0.10 0.00 0.00 175.35 176.46 2k6b n PRO 64 N 5.42 0.04 0.09 1.78 -0.04 -1.25 -3.03 135.00 138.01 2k6b n PRO 64 Ca 0.02 0.21 -0.07 0.00 -0.04 0.00 0.00 63.50 63.62 2k6b n PRO 64 Cb 0.52 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.53 2k6b n PRO 64 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2k6b h GLU 65 N 0.00 0.18 0.00 0.54 5.08 -1.93 -1.15 114.58 117.30 2k6b h GLU 65 Ca 0.00 -0.17 -0.20 0.00 -1.00 0.00 0.00 59.36 58.00 2k6b h GLU 65 Cb 0.26 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 2k6b h GLU 65 CO 0.00 0.87 -0.93 0.87 -1.00 0.00 0.00 179.01 178.81 2k6b h LYS 66 N 0.11 0.00 0.13 2.33 1.79 -1.76 -3.00 116.57 116.17 2k6b h LYS 66 Ca -0.03 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.44 2k6b h LYS 66 Cb 1.35 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.01 2k6b h LYS 66 CO 0.12 0.93 -0.06 1.15 -1.08 0.00 0.00 179.45 180.51 2k6b h THR 67 N 0.00 0.90 -0.04 -0.16 2.02 -1.53 -1.62 112.91 112.48 2k6b h THR 67 Ca -0.01 -0.10 -0.04 0.00 0.77 0.00 0.00 66.41 67.03 2k6b h THR 67 Cb 1.66 0.97 -0.01 0.00 -1.74 0.00 0.00 68.15 69.03 2k6b h THR 67 CO 0.12 0.03 -0.18 0.07 0.37 0.00 0.00 175.52 175.93 2k6b h LYS 68 N -0.22 0.06 0.11 6.66 2.10 -1.25 0.79 116.57 124.82 2k6b h LYS 68 Ca -0.02 -0.01 -0.01 0.00 -2.00 0.00 0.00 60.65 58.61 2k6b h LYS 68 Cb 0.17 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.50 2k6b h LYS 68 CO 0.03 0.24 -0.05 0.00 -2.00 0.00 0.00 179.45 177.67 2k6b h ALA 69 N 1.76 -0.15 -0.30 0.07 0.00 -1.33 -0.57 119.26 118.74 2k6b h ALA 69 Ca 0.01 -0.14 -0.14 0.00 0.00 0.00 0.00 54.91 54.64 2k6b h ALA 69 Cb 0.35 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2k6b h ALA 69 CO 0.02 -0.46 -0.40 -0.39 0.00 0.00 0.00 179.25 178.02 2k6b h VAL 70 N -0.39 1.29 -0.79 0.00 -1.51 -0.94 -1.53 116.25 112.39 2k6b h VAL 70 Ca -0.01 -1.57 -0.00 0.00 -1.23 0.00 0.00 66.70 63.88 2k6b h VAL 70 Cb 0.32 1.49 -0.04 0.00 -2.13 0.00 0.00 31.29 30.93 2k6b h VAL 70 CO 0.02 0.51 0.48 -0.33 -1.23 0.00 0.00 177.57 177.02 2k6b h GLU 71 N 0.59 1.06 -0.40 5.19 5.08 -0.81 0.12 114.58 125.41 2k6b h GLU 71 Ca 0.05 -0.09 -0.08 0.00 -1.00 0.00 0.00 59.36 58.23 2k6b h GLU 71 Cb 0.94 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 2k6b h GLU 71 CO 0.09 0.74 -0.10 -0.97 -1.00 0.00 0.00 179.01 177.77 2k6b h ASN 72 N 1.07 0.68 -0.32 1.42 -0.73 -0.95 -2.77 115.58 113.98 2k6b h ASN 72 Ca 0.28 -0.19 -0.07 0.00 1.87 0.00 0.00 56.30 58.20 2k6b h ASN 72 Cb -0.05 -0.18 -0.01 0.00 0.27 0.00 0.00 38.32 38.35 2k6b h ASN 72 CO -0.05 0.81 -0.06 0.22 -0.37 0.00 0.00 177.43 177.97 2k6b h TYR 73 N 0.64 0.68 -0.80 0.67 5.03 -0.26 -2.97 116.97 119.95 2k6b h TYR 73 Ca 0.11 -0.14 0.01 0.00 2.58 0.00 0.00 58.73 61.30 2k6b h TYR 73 Cb 0.54 -0.17 -0.04 0.00 1.55 0.00 0.00 36.73 38.61 2k6b h TYR 73 CO 0.02 0.78 0.53 -0.07 -1.32 0.00 0.00 178.16 178.10 2k6b h LEU 74 N 0.39 0.91 -0.66 2.82 -0.00 -0.58 0.31 115.31 118.50 2k6b h LEU 74 Ca 0.08 -0.02 0.08 0.00 -0.00 0.00 0.00 57.88 58.03 2k6b h LEU 74 Cb 0.55 -0.22 -0.07 0.00 -0.00 0.00 0.00 40.66 40.92 2k6b h LEU 74 CO 0.03 0.65 0.31 0.40 -0.00 0.00 0.00 178.44 179.83 2k6b h ILE 75 N 1.07 0.85 -0.01 1.22 2.04 -1.34 0.07 117.51 121.40 2k6b h ILE 75 Ca 0.30 -0.19 -0.11 0.00 1.00 0.00 0.00 64.86 65.86 2k6b h ILE 75 Cb -0.09 0.26 0.01 0.00 -0.74 0.00 0.00 36.82 36.25 2k6b h ILE 75 CO -0.07 0.10 -0.44 1.56 0.00 0.00 0.00 178.15 179.30 2k6b h GLN 76 N 0.54 0.31 -0.65 2.37 4.20 -1.20 -3.10 115.11 117.60 2k6b h GLN 76 Ca 0.32 -0.33 -0.07 0.00 0.06 0.00 0.00 58.65 58.63 2k6b h GLN 76 Cb 0.33 0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.17 2k6b h GLN 76 CO -0.26 1.02 0.13 1.98 -0.67 0.00 0.00 178.83 181.03 2k6b h MET 77 N -0.26 1.05 -0.38 1.46 4.05 -0.13 -2.22 114.93 118.50 2k6b h MET 77 Ca -0.05 -0.27 -0.08 0.00 -0.28 0.00 0.00 59.70 59.01 2k6b h MET 77 Cb 1.17 -0.13 -0.02 0.00 -0.80 0.00 0.00 31.60 31.82 2k6b h MET 77 CO 0.09 0.96 -0.11 0.00 0.23 0.00 0.00 176.91 178.09 2k6b h ALA 78 N 1.05 1.11 -0.63 0.39 0.00 -1.11 -2.75 119.26 117.31 2k6b h ALA 78 Ca 0.20 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 54.85 2k6b h ALA 78 Cb 0.40 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 2k6b h ALA 78 CO 0.01 0.56 0.42 -0.09 0.00 0.00 0.00 179.25 180.14 2k6b h ARG 79 N 0.60 0.73 -0.52 0.00 2.43 -1.32 -1.36 114.38 114.94 2k6b h ARG 79 Ca 0.11 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 2k6b h ARG 79 Cb 0.54 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 2k6b h ARG 79 CO 0.03 0.48 0.00 0.66 -1.51 0.00 0.00 179.97 179.64 2k6b n TYR 80 N -4.46 0.67 -1.63 2.20 4.01 -1.07 -4.87 117.16 112.01 2k6b n TYR 80 Ca 0.08 -0.28 -0.01 0.00 -0.16 0.00 0.00 57.90 57.53 2k6b n TYR 80 Cb 0.13 -0.11 -0.00 0.00 -0.31 0.00 0.00 39.34 39.05 2k6b n TYR 80 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2k6b n GLY 81 N 0.78 0.38 0.49 2.72 0.00 -0.51 -4.90 105.19 104.14 2k6b n GLY 81 Ca 0.12 -0.94 0.08 0.00 0.00 0.00 0.00 46.02 45.29 2k6b n GLY 81 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2k6b n GLN 82 N -1.82 1.63 -3.66 1.61 1.13 -1.06 -4.53 117.38 110.68 2k6b n GLN 82 Ca -0.01 -0.96 -0.38 0.00 -1.94 0.00 0.00 57.00 53.71 2k6b n GLN 82 Cb 0.32 -1.31 -0.09 0.00 0.11 0.00 0.00 30.24 29.27 2k6b n GLN 82 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 2k6b s LEU 83 N -1.32 5.46 -0.02 1.08 2.96 -1.26 -4.79 118.68 120.79 2k6b s LEU 83 Ca 0.26 -2.77 0.19 0.00 -0.22 0.00 0.00 54.13 51.60 2k6b s LEU 83 Cb 0.14 -1.91 -0.21 0.00 0.50 0.00 0.00 46.19 44.71 2k6b s LEU 83 CO 0.20 -0.42 0.56 -1.20 -1.32 0.00 0.00 176.35 174.17 2k6b n SER 84 N 3.65 0.40 -3.49 3.68 7.64 -1.26 -4.97 113.62 119.26 2k6b n SER 84 Ca 0.08 0.17 -0.11 0.00 1.01 0.00 0.00 58.87 60.02 2k6b n SER 84 Cb 0.39 0.92 -0.02 0.00 -1.01 0.00 0.00 64.21 64.49 2k6b n SER 84 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 2k6b s GLU 85 N -3.02 1.36 0.08 1.43 2.56 -1.26 -5.12 118.70 114.72 2k6b s GLU 85 Ca -0.06 -0.56 -0.35 0.00 0.00 0.00 0.00 54.97 54.00 2k6b s GLU 85 Cb 0.10 0.59 -0.14 0.00 2.00 0.00 0.00 34.13 36.67 2k6b s GLU 85 CO 0.84 -0.60 1.56 1.63 -0.56 0.00 0.00 175.26 178.13 2k6b n LYS 86 N -0.39 1.81 -1.96 4.30 5.02 -1.26 -4.85 118.16 120.83 2k6b n LYS 86 Ca -0.15 0.65 -0.43 0.00 -2.02 0.00 0.00 58.31 56.37 2k6b n LYS 86 Cb 0.64 -2.39 -0.03 0.00 -0.02 0.00 0.00 35.03 33.23 2k6b n LYS 86 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2k6b s VAL 87 N 1.40 3.48 0.98 -0.18 1.01 0.92 -4.50 120.40 123.51 2k6b s VAL 87 Ca 0.84 0.55 -0.16 0.00 0.00 0.00 0.00 61.98 63.21 2k6b s VAL 87 Cb -0.78 -3.46 0.20 0.00 0.00 0.00 0.00 36.38 32.33 2k6b s VAL 87 CO 0.44 -0.16 1.27 -0.44 0.00 0.00 0.00 175.10 176.21 2k6b s SER 88 N 4.59 2.98 0.19 3.32 0.01 -1.26 -0.43 113.70 123.11 2k6b s SER 88 Ca 0.78 0.41 -0.13 0.00 1.31 0.00 0.00 55.95 58.32 2k6b s SER 88 Cb -0.30 -0.56 0.21 0.00 0.21 0.00 0.00 66.02 65.58 2k6b s SER 88 CO 0.32 -2.83 1.68 -0.33 0.41 0.00 0.00 173.24 172.49 2k6b h GLU 89 N -1.70 0.12 0.00 12.44 5.08 -1.90 0.62 114.58 129.25 2k6b h GLU 89 Ca -0.45 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 57.88 2k6b h GLU 89 Cb 1.26 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.48 2k6b h GLU 89 CO 0.42 0.08 -0.12 -0.56 -1.00 0.00 0.00 179.01 177.83 2k6b h GLN 90 N 0.13 0.00 0.00 2.33 3.07 -1.98 0.57 115.11 119.23 2k6b h GLN 90 Ca 0.27 0.00 -0.27 0.00 0.09 0.00 0.00 58.65 58.74 2k6b h GLN 90 Cb 0.41 0.00 0.02 0.00 0.08 0.00 0.00 27.48 27.99 2k6b h GLN 90 CO -0.44 0.12 -1.04 0.78 0.09 0.00 0.00 178.83 178.35 2k6b h GLY 91 N 0.47 0.78 0.78 0.06 0.00 -1.25 -0.87 103.07 103.04 2k6b h GLY 91 Ca -0.00 -1.37 -0.03 0.00 0.00 0.00 0.00 47.33 45.93 2k6b h GLY 91 CO 0.02 1.21 -0.01 -2.00 0.00 0.00 0.00 176.54 175.75 2k6b h LEU 92 N 0.38 0.29 -1.81 3.11 5.85 -0.74 -2.82 115.31 119.58 2k6b h LEU 92 Ca -0.13 -0.33 -0.01 0.00 0.84 0.00 0.00 57.88 58.24 2k6b h LEU 92 Cb 1.70 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.64 2k6b h LEU 92 CO 0.20 0.55 0.00 0.40 -0.34 0.00 0.00 178.44 179.26 2k6b h ILE 93 N 0.02 1.06 -0.16 4.05 2.04 -0.92 0.21 117.51 123.80 2k6b h ILE 93 Ca 0.04 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 65.68 2k6b h ILE 93 Cb 0.41 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 2k6b h ILE 93 CO 0.01 0.07 0.08 -0.08 0.00 0.00 0.00 178.15 178.23 2k6b h GLU 94 N 0.12 0.23 -0.30 2.37 4.57 -0.94 -0.17 114.58 120.46 2k6b h GLU 94 Ca 0.03 -0.03 -0.11 0.00 -1.18 0.00 0.00 59.36 58.06 2k6b h GLU 94 Cb 0.08 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.63 2k6b h GLU 94 CO 0.00 0.26 -0.26 0.82 -1.18 0.00 0.00 179.01 178.66 2k6b h ILE 95 N 0.14 1.30 -0.55 2.32 2.04 -1.12 -3.20 117.51 118.43 2k6b h ILE 95 Ca 0.06 -1.41 0.08 0.00 1.00 0.00 0.00 64.86 64.58 2k6b h ILE 95 Cb 0.11 1.53 -0.07 0.00 -0.74 0.00 0.00 36.82 37.65 2k6b h ILE 95 CO -0.01 0.45 0.18 0.25 0.00 0.00 0.00 178.15 179.03 2k6b h LEU 96 N 0.46 0.16 -0.44 1.44 5.85 -0.32 -1.17 115.31 121.30 2k6b h LEU 96 Ca 0.05 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.85 2k6b h LEU 96 Cb 0.82 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 2k6b h LEU 96 CO 0.07 0.11 0.28 0.11 -0.34 0.00 0.00 178.44 178.67 2k6b h LYS 97 N 0.35 0.58 0.00 1.25 1.57 -1.03 0.25 116.57 119.54 2k6b h LYS 97 Ca 0.27 -0.04 -0.12 0.00 -1.87 0.00 0.00 60.65 58.89 2k6b h LYS 97 Cb 0.32 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 2k6b h LYS 97 CO -0.29 0.40 -0.56 1.57 -0.57 0.00 0.00 179.45 180.00 2k6b h LYS 98 N 0.59 0.00 0.00 3.15 5.09 -1.45 -2.56 116.57 121.38 2k6b h LYS 98 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.90 2k6b h LYS 98 Cb -0.05 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.28 2k6b h LYS 98 CO -0.03 0.56 -0.26 -0.39 -2.09 0.00 0.00 179.45 177.24 2k6b h VAL 99 N 0.00 0.00 -0.08 0.07 -1.51 -0.93 -2.84 116.25 110.96 2k6b h VAL 99 Ca -0.01 -0.88 -0.01 0.00 -1.23 0.00 0.00 66.70 64.58 2k6b h VAL 99 Cb 1.02 1.74 -0.00 0.00 -2.13 0.00 0.00 31.29 31.91 2k6b h VAL 99 CO 0.07 0.00 0.02 -1.28 -1.23 0.00 0.00 177.57 175.15 2k6b h SER 100 N 0.00 0.12 0.00 4.19 0.87 -0.10 -3.31 113.55 115.32 2k6b h SER 100 Ca 0.00 -0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.34 2k6b h SER 100 Cb 0.94 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.87 2k6b h SER 100 CO 0.00 0.31 0.00 0.00 -0.53 0.00 0.00 176.83 176.61 2k6b n GLN 101 N -4.90 0.00 -3.26 2.24 3.00 -1.11 -5.00 117.38 108.34 2k6b n GLN 101 Ca -0.06 0.15 0.03 0.00 -0.01 0.00 0.00 57.00 57.11 2k6b n GLN 101 Cb 0.14 -0.61 -0.02 0.00 0.00 0.00 0.00 30.24 29.75 2k6b n GLN 101 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.06 178.20 2k6b s GLN 102 N -0.35 0.33 0.16 -1.09 -2.07 -1.09 -4.90 119.66 110.65 2k6b s GLN 102 Ca 0.00 0.68 0.00 0.00 -1.82 0.00 0.00 55.36 54.22 2k6b s GLN 102 Cb 0.00 0.39 0.00 0.00 -1.09 0.00 0.00 33.01 32.31 2k6b s GLN 102 CO 0.00 -0.26 0.00 2.41 -1.32 0.00 0.00 175.29 176.12 2k6b n THR 103 N 5.30 0.00 -2.69 3.63 -1.04 -1.12 -4.84 114.28 113.51 2k6b n THR 103 Ca -0.07 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.81 2k6b n THR 103 Cb 0.52 0.00 0.02 0.00 -1.82 0.00 0.00 70.33 69.05 2k6b n THR 103 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2k6b n GLU 104 N -2.74 1.51 -0.09 -2.82 -0.58 -1.26 -4.67 120.64 109.99 2k6b n GLU 104 Ca 0.00 -3.48 0.26 0.00 -0.42 0.00 0.00 57.16 53.51 2k6b n GLU 104 Cb 0.00 -1.46 0.72 0.00 -0.57 0.00 0.00 31.44 30.13 2k6b n GLU 104 CO 0.00 0.00 0.00 1.57 -0.48 0.00 0.00 177.13 178.22 2k6b h LYS 105 N 2.94 0.00 0.00 3.49 2.10 -1.86 -1.91 116.57 121.32 2k6b h LYS 105 Ca -0.02 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.57 2k6b h LYS 105 Cb 1.11 0.00 -0.09 0.00 -0.90 0.00 0.00 32.23 32.35 2k6b h LYS 105 CO 0.56 0.00 -0.27 -2.37 -2.00 0.00 0.00 179.45 175.37 2k6b n THR 106 N -4.08 0.00 -2.14 0.07 5.66 -1.26 -4.50 114.28 108.03 2k6b n THR 106 Ca 0.15 -0.10 -0.03 0.00 -3.05 0.00 0.00 64.05 61.01 2k6b n THR 106 Cb 0.86 0.34 -0.03 0.00 -1.55 0.00 0.00 70.33 69.95 2k6b n THR 106 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 2k6b n THR 107 N 0.05 -9.23 -0.99 1.09 -1.04 -0.72 -4.71 114.28 98.73 2k6b n THR 107 Ca -0.09 1.79 -0.29 0.00 -2.04 0.00 0.00 64.05 63.41 2k6b n THR 107 Cb 0.66 -5.36 0.17 0.00 -1.82 0.00 0.00 70.33 63.98 2k6b n THR 107 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 2k6b s THR 108 N -0.41 2.37 -1.02 12.58 -4.23 -1.26 -4.26 115.64 119.40 2k6b s THR 108 Ca -0.16 0.12 -0.15 0.00 -1.18 0.00 0.00 61.69 60.32 2k6b s THR 108 Cb 0.01 -2.45 -0.00 0.00 1.34 0.00 0.00 72.50 71.39 2k6b s THR 108 CO 0.44 -0.16 0.74 1.33 -0.54 0.00 0.00 174.62 176.43 2k6b n VAL 109 N -4.20 -5.84 -3.66 2.29 0.24 -1.26 -5.00 118.33 100.90 2k6b n VAL 109 Ca 0.06 -0.65 -0.07 0.00 -2.04 0.00 0.00 64.34 61.65 2k6b n VAL 109 Cb 0.55 -4.34 -0.08 0.00 -1.47 0.00 0.00 33.84 28.50 2k6b n VAL 109 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2k6b s LYS 110 N -5.41 0.42 -0.20 7.34 2.47 -1.26 -5.13 119.74 117.97 2k6b s LYS 110 Ca 0.31 1.13 -0.02 0.00 -1.56 0.00 0.00 55.97 55.83 2k6b s LYS 110 Cb -0.12 0.41 -0.00 0.00 -1.46 0.00 0.00 37.83 36.67 2k6b s LYS 110 CO 0.86 -0.22 -0.10 -0.59 0.16 0.00 0.00 175.35 175.46 2k6b s PHE 111 N 2.47 2.89 0.00 4.03 -0.12 -1.26 -5.09 117.98 120.89 2k6b s PHE 111 Ca -0.04 -1.12 0.00 0.00 -0.05 0.00 0.00 56.93 55.71 2k6b s PHE 111 Cb -0.11 -2.03 0.00 0.00 -0.63 0.00 0.00 43.02 40.25 2k6b s PHE 111 CO -0.15 -0.60 0.00 -1.71 -0.05 0.00 0.00 175.22 172.72