#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k6b n SER 1 N 0.00 -5.50 -0.03 1.61 7.64 -1.26 -4.86 113.62 111.22 2k6b n SER 1 Ca 0.00 0.46 -0.14 0.00 1.01 0.00 0.00 58.87 60.20 2k6b n SER 1 Cb 0.00 -4.83 -0.03 0.00 -1.01 0.00 0.00 64.21 58.34 2k6b n SER 1 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k6b h ALA 2 N 0.12 0.45 -0.19 -0.43 0.00 -2.04 0.41 119.26 117.58 2k6b h ALA 2 Ca -0.43 -0.56 -0.13 0.00 0.00 0.00 0.00 54.91 53.79 2k6b h ALA 2 Cb 1.35 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 2k6b h ALA 2 CO 0.62 0.69 -0.44 -0.44 0.00 0.00 0.00 179.25 179.68 2k6b h ASP 3 N 0.54 0.51 -0.03 0.00 5.19 -1.98 0.12 116.42 120.77 2k6b h ASP 3 Ca -0.02 -0.23 -0.01 0.00 -0.62 0.00 0.00 57.03 56.15 2k6b h ASP 3 Cb 1.26 -0.14 -0.00 0.00 0.18 0.00 0.00 39.33 40.63 2k6b h ASP 3 CO 0.14 0.88 -0.02 -0.08 -3.12 0.00 0.00 179.24 177.04 2k6b h GLU 4 N 0.39 0.06 0.00 3.56 4.57 -1.90 -0.58 114.58 120.67 2k6b h GLU 4 Ca 0.03 -0.03 -0.07 0.00 -1.18 0.00 0.00 59.36 58.12 2k6b h GLU 4 Cb 0.92 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.51 2k6b h GLU 4 CO 0.08 0.49 -0.31 0.93 -1.18 0.00 0.00 179.01 179.02 2k6b h GLU 5 N -0.38 0.00 -0.09 1.92 4.39 -0.82 0.11 114.58 119.71 2k6b h GLU 5 Ca 0.00 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.68 2k6b h GLU 5 Cb 0.48 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.12 2k6b h GLU 5 CO 0.00 0.31 -0.04 1.25 -1.16 0.00 0.00 179.01 179.37 2k6b h LEU 6 N 0.00 0.20 -1.39 1.33 5.85 -0.87 -3.05 115.31 117.38 2k6b h LEU 6 Ca -0.00 -0.41 -0.06 0.00 0.84 0.00 0.00 57.88 58.24 2k6b h LEU 6 Cb 0.63 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 2k6b h LEU 6 CO 0.04 0.57 -0.28 -0.08 -0.34 0.00 0.00 178.44 178.35 2k6b h GLU 7 N -0.17 0.03 -0.73 1.25 4.57 -0.68 -2.37 114.58 116.48 2k6b h GLU 7 Ca 0.02 -0.01 0.06 0.00 -1.18 0.00 0.00 59.36 58.26 2k6b h GLU 7 Cb 0.49 -0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.03 2k6b h GLU 7 CO 0.01 0.32 0.48 0.00 -1.18 0.00 0.00 179.01 178.64 2k6b h ALA 8 N 1.69 1.69 -0.64 2.92 0.00 -0.68 0.62 119.26 124.87 2k6b h ALA 8 Ca 0.00 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 2k6b h ALA 8 Cb 0.52 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 2k6b h ALA 8 CO 0.04 0.19 0.10 -0.07 0.00 0.00 0.00 179.25 179.51 2k6b h LEU 9 N 0.77 0.99 -0.06 0.00 3.38 -1.35 0.45 115.31 119.48 2k6b h LEU 9 Ca 0.32 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 2k6b h LEU 9 Cb 0.26 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 2k6b h LEU 9 CO -0.11 0.98 -0.10 -0.09 0.09 0.00 0.00 178.44 179.22 2k6b h ARG 10 N 0.97 0.18 0.00 1.13 2.43 -1.46 -3.17 114.38 114.45 2k6b h ARG 10 Ca 0.20 -0.11 -0.05 0.00 -0.81 0.00 0.00 59.98 59.21 2k6b h ARG 10 Cb 0.42 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 2k6b h ARG 10 CO 0.01 0.67 -0.25 0.00 -1.51 0.00 0.00 179.97 178.89 2k6b h ARG 11 N -0.30 0.00 -0.27 0.20 3.08 -0.69 -2.56 114.38 113.83 2k6b h ARG 11 Ca 0.01 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 2k6b h ARG 11 Cb 0.65 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.69 2k6b h ARG 11 CO 0.02 0.25 0.16 0.37 -1.07 0.00 0.00 179.97 179.70 2k6b h GLN 12 N 0.00 0.37 -0.73 0.04 4.15 -0.09 0.34 115.11 119.18 2k6b h GLN 12 Ca -0.00 -0.03 0.07 0.00 0.77 0.00 0.00 58.65 59.45 2k6b h GLN 12 Cb 0.45 -0.08 -0.05 0.00 0.21 0.00 0.00 27.48 28.01 2k6b h GLN 12 CO 0.03 0.29 0.48 0.00 -1.93 0.00 0.00 178.83 177.71 2k6b h ARG 13 N 0.34 0.74 -0.05 1.69 -0.00 -1.44 0.12 114.38 115.78 2k6b h ARG 13 Ca 0.10 -0.04 -0.05 0.00 -0.50 0.00 0.00 59.98 59.49 2k6b h ARG 13 Cb 0.02 -0.17 0.00 0.00 0.00 0.00 0.00 29.97 29.83 2k6b h ARG 13 CO -0.02 0.49 -0.15 1.25 0.00 0.00 0.00 179.97 181.54 2k6b h LEU 14 N 0.76 0.21 -0.06 3.04 6.46 -1.24 -3.07 115.31 121.42 2k6b h LEU 14 Ca 0.32 -0.62 -0.11 0.00 -0.12 0.00 0.00 57.88 57.35 2k6b h LEU 14 Cb 0.27 -0.06 0.01 0.00 -0.73 0.00 0.00 40.66 40.15 2k6b h LEU 14 CO -0.11 0.80 -0.37 0.00 -0.62 0.00 0.00 178.44 178.14 2k6b h ALA 15 N 0.42 0.13 0.00 1.25 0.00 0.24 -3.17 119.26 118.14 2k6b h ALA 15 Ca -0.01 -0.47 -0.04 0.00 0.00 0.00 0.00 54.91 54.40 2k6b h ALA 15 Cb 0.78 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 2k6b h ALA 15 CO 0.03 0.23 -0.18 0.93 0.00 0.00 0.00 179.25 180.26 2k6b h GLU 16 N -0.13 0.00 -0.26 0.00 4.39 -0.94 -2.60 114.58 115.03 2k6b h GLU 16 Ca -0.03 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.71 2k6b h GLU 16 Cb 1.03 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.65 2k6b h GLU 16 CO 0.08 0.18 0.06 1.25 -1.16 0.00 0.00 179.01 179.42 2k6b h LEU 17 N 0.00 0.03 -2.35 1.33 7.12 -1.50 -3.48 115.31 116.46 2k6b h LEU 17 Ca -0.00 0.04 0.00 0.00 0.13 0.00 0.00 57.88 58.05 2k6b h LEU 17 Cb 0.66 0.05 0.00 0.00 -0.53 0.00 0.00 40.66 40.84 2k6b h LEU 17 CO 0.02 0.05 -0.74 0.00 -0.13 0.00 0.00 178.44 177.65 2k6b n GLN 18 N -5.07 -2.65 -2.19 1.25 6.02 -0.98 -4.91 117.38 108.85 2k6b n GLN 18 Ca -0.01 2.24 -0.42 0.00 -0.01 0.00 0.00 57.00 58.80 2k6b n GLN 18 Cb 0.11 -4.42 -0.03 0.00 1.02 0.00 0.00 30.24 26.93 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 -1.33 2.85 0.43 -1.58 0.00 -1.26 -5.00 121.76 115.86 2k6b s ALA 19 Ca 0.01 -0.13 0.03 0.00 0.00 0.00 0.00 51.96 51.88 2k6b s ALA 19 Cb -0.00 -4.03 0.00 0.00 0.00 0.00 0.00 23.12 19.09 2k6b s ALA 19 CO 0.61 -2.73 0.62 0.15 0.00 0.00 0.00 175.76 174.40 2k6b s LYS 20 N 5.53 2.97 0.00 0.00 3.01 -1.26 -5.01 119.74 124.97 2k6b s LYS 20 Ca 0.68 -0.77 0.21 0.00 -1.01 0.00 0.00 55.97 55.07 2k6b s LYS 20 Cb -0.16 -2.65 -0.02 0.00 -1.01 0.00 0.00 37.83 33.99 2k6b s LYS 20 CO 0.31 -0.25 1.01 -2.39 0.51 0.00 0.00 175.35 174.54 2k6b n HIS 21 N -1.97 0.00 0.00 3.18 1.44 -1.26 -4.98 115.22 111.63 2k6b n HIS 21 Ca 0.03 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.74 2k6b n HIS 21 Cb 0.58 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.69 2k6b n HIS 21 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2k6b n GLY 22 N 1.35 3.10 3.65 -1.39 0.00 -1.26 -5.01 105.19 105.64 2k6b n GLY 22 Ca 0.08 -0.95 -0.30 0.00 0.00 0.00 0.00 46.02 44.86 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 0.00 4.82 -0.46 1.61 -4.77 -1.26 -5.02 116.67 111.59 2k6b s ASP 23 Ca 0.00 -0.25 0.04 0.00 -3.30 0.00 0.00 52.55 49.03 2k6b s ASP 23 Cb 0.00 -1.08 0.63 0.00 -1.09 0.00 0.00 42.92 41.39 2k6b s ASP 23 CO 0.00 0.17 1.90 -0.81 0.70 0.00 0.00 175.17 177.13 2k6b n PRO 24 N 0.56 2.28 -0.25 2.11 -0.04 -1.26 -4.88 135.00 133.52 2k6b n PRO 24 Ca -0.11 -3.06 0.00 0.00 -0.04 0.00 0.00 63.50 60.28 2k6b n PRO 24 Cb 0.52 -2.17 0.00 0.00 -0.04 0.00 0.00 33.50 31.81 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 -1.12 5.49 5.69 0.55 0.00 -1.26 -4.73 105.19 109.81 2k6b n GLY 25 Ca 0.58 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 45.04 2k6b n GLY 25 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2k6b n ASP 26 N -0.32 0.00 0.15 1.61 2.03 -1.26 -0.48 116.55 118.28 2k6b n ASP 26 Ca 0.00 0.00 0.01 0.00 0.52 0.00 0.00 54.79 55.32 2k6b n ASP 26 Cb 0.00 0.00 0.33 0.00 -0.72 0.00 0.00 41.12 40.73 2k6b n ASP 26 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k6b h ALA 27 N -0.44 1.33 0.00 -1.67 0.00 -1.95 -2.14 119.26 114.39 2k6b h ALA 27 Ca 0.00 -0.34 -0.10 0.00 0.00 0.00 0.00 54.91 54.47 2k6b h ALA 27 Cb 0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2k6b h ALA 27 CO 0.00 0.48 -0.48 0.00 0.00 0.00 0.00 179.25 179.25 2k6b h ALA 28 N 1.56 1.03 -0.10 0.00 0.00 -1.10 0.12 119.26 120.79 2k6b h ALA 28 Ca 0.01 -0.44 -0.14 0.00 0.00 0.00 0.00 54.91 54.35 2k6b h ALA 28 Cb 0.66 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.38 2k6b h ALA 28 CO 0.05 0.60 -0.47 1.96 0.00 0.00 0.00 179.25 181.38 2k6b h GLN 29 N 0.00 0.49 -0.44 0.00 4.20 -1.53 0.59 115.11 118.42 2k6b h GLN 29 Ca -0.00 -0.40 -0.12 0.00 0.06 0.00 0.00 58.65 58.19 2k6b h GLN 29 Cb 0.95 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.80 2k6b h GLN 29 CO 0.06 1.03 -0.20 0.37 -0.67 0.00 0.00 178.83 179.42 2k6b h GLN 30 N 0.08 0.88 0.02 1.46 5.75 -1.33 -1.53 115.11 120.42 2k6b h GLN 30 Ca -0.03 -0.35 0.01 0.00 -0.15 0.00 0.00 58.65 58.12 2k6b h GLN 30 Cb 1.12 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 29.62 2k6b h GLN 30 CO 0.10 1.00 -0.06 1.49 -2.65 0.00 0.00 178.83 178.71 2k6b h GLU 31 N 0.77 -0.10 -0.49 1.69 4.81 -0.65 0.22 114.58 120.81 2k6b h GLU 31 Ca 0.11 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.40 2k6b h GLU 31 Cb 0.74 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 30.10 2k6b h GLU 31 CO 0.06 -0.07 0.22 0.00 -0.73 0.00 0.00 179.01 178.49 2k6b h ALA 32 N 0.87 0.62 -0.48 2.92 0.00 -0.68 0.17 119.26 122.68 2k6b h ALA 32 Ca 0.02 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 2k6b h ALA 32 Cb 0.13 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2k6b h ALA 32 CO -0.05 -0.15 -0.05 -0.22 0.00 0.00 0.00 179.25 178.78 2k6b h LYS 33 N 0.43 0.84 -0.72 0.00 1.63 -1.02 -1.58 116.57 116.15 2k6b h LYS 33 Ca 0.23 -0.26 -0.05 0.00 -0.85 0.00 0.00 60.65 59.72 2k6b h LYS 33 Cb 0.18 -0.08 -0.03 0.00 -0.60 0.00 0.00 32.23 31.70 2k6b h LYS 33 CO -0.19 0.88 0.26 1.25 -3.45 0.00 0.00 179.45 178.20 2k6b h HIS 34 N 0.77 1.13 -0.06 1.91 2.76 0.37 -2.30 115.15 119.72 2k6b h HIS 34 Ca 0.14 -0.10 -0.07 0.00 -2.20 0.00 0.00 60.37 58.14 2k6b h HIS 34 Cb 0.54 -0.33 -0.01 0.00 1.55 0.00 0.00 27.41 29.16 2k6b h HIS 34 CO 0.03 0.88 -0.29 0.00 -1.30 0.00 0.00 177.93 177.25 2k6b h ARG 35 N 1.05 0.11 -0.34 5.26 3.08 -0.12 0.35 114.38 123.76 2k6b h ARG 35 Ca 0.24 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.24 2k6b h ARG 35 Cb 0.25 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 2k6b h ARG 35 CO -0.01 0.40 0.16 0.93 -1.07 0.00 0.00 179.97 180.37 2k6b h GLU 36 N 0.10 0.50 -0.22 0.04 5.08 -0.82 -1.72 114.58 117.53 2k6b h GLU 36 Ca 0.01 -0.08 -0.19 0.00 -1.00 0.00 0.00 59.36 58.11 2k6b h GLU 36 Cb 0.57 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2k6b h GLU 36 CO 0.04 0.46 -0.60 0.00 -1.00 0.00 0.00 179.01 177.91 2k6b h ALA 37 N 1.01 0.37 -0.58 3.43 0.00 -1.02 -3.21 119.26 119.26 2k6b h ALA 37 Ca 0.12 -0.53 0.06 0.00 0.00 0.00 0.00 54.91 54.56 2k6b h ALA 37 Cb 0.13 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 2k6b h ALA 37 CO -0.01 0.62 0.28 1.49 0.00 0.00 0.00 179.25 181.62 2k6b h GLU 38 N 0.53 0.51 -0.53 0.00 4.57 -0.11 0.57 114.58 120.13 2k6b h GLU 38 Ca -0.01 -0.03 -0.08 0.00 -1.18 0.00 0.00 59.36 58.06 2k6b h GLU 38 Cb 1.22 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 29.67 2k6b h GLU 38 CO 0.13 0.34 0.02 0.00 -1.18 0.00 0.00 179.01 178.32 2k6b h MET 39 N 0.53 0.88 -0.06 1.92 -0.00 -1.38 0.16 114.93 116.99 2k6b h MET 39 Ca 0.26 -0.24 -0.19 0.00 -0.00 0.00 0.00 59.70 59.53 2k6b h MET 39 Cb 0.21 -0.10 0.01 0.00 -0.00 0.00 0.00 31.60 31.72 2k6b h MET 39 CO -0.20 0.87 -0.70 0.00 -0.00 0.00 0.00 176.91 176.88 2k6b h ARG 40 N 0.82 0.57 -0.39 -0.10 3.08 -1.33 -3.12 114.38 113.91 2k6b h ARG 40 Ca 0.16 -0.54 -0.04 0.00 0.07 0.00 0.00 59.98 59.63 2k6b h ARG 40 Cb 0.47 0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.64 2k6b h ARG 40 CO 0.02 1.16 0.08 -0.97 -1.07 0.00 0.00 179.97 179.20 2k6b h ASN 41 N 0.18 0.61 -0.26 7.04 -0.73 0.29 -2.22 115.58 120.49 2k6b h ASN 41 Ca -0.07 -0.24 -0.01 0.00 1.87 0.00 0.00 56.30 57.85 2k6b h ASN 41 Cb 1.36 -0.16 -0.01 0.00 0.27 0.00 0.00 38.32 39.78 2k6b h ASN 41 CO 0.14 0.69 0.13 0.77 -0.37 0.00 0.00 177.43 178.79 2k6b h SER 42 N 0.49 0.33 -0.71 1.15 4.64 -0.77 0.19 113.55 118.87 2k6b h SER 42 Ca 0.12 -0.10 -0.07 0.00 -0.47 0.00 0.00 61.79 61.27 2k6b h SER 42 Cb 0.33 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 62.31 2k6b h SER 42 CO 0.00 0.34 0.16 0.16 -0.87 0.00 0.00 176.83 176.62 2k6b h ILE 43 N 0.29 1.26 -0.38 0.95 3.07 -1.52 -1.46 117.51 119.74 2k6b h ILE 43 Ca 0.09 -0.99 -0.10 0.00 1.55 0.00 0.00 64.86 65.41 2k6b h ILE 43 Cb 0.09 0.55 -0.02 0.00 -0.27 0.00 0.00 36.82 37.17 2k6b h ILE 43 CO -0.01 0.38 -0.18 -0.07 -1.05 0.00 0.00 178.15 177.22 2k6b h LEU 44 N 1.08 0.71 -0.80 0.16 3.38 -1.11 0.53 115.31 119.25 2k6b h LEU 44 Ca 0.22 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 2k6b h LEU 44 Cb 0.39 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 2k6b h LEU 44 CO 0.00 0.89 -0.13 0.00 0.09 0.00 0.00 178.44 179.29 2k6b h ALA 45 N 1.17 0.97 0.00 1.53 0.00 -0.24 0.15 119.26 122.84 2k6b h ALA 45 Ca 0.10 -0.12 -0.32 0.00 0.00 0.00 0.00 54.91 54.56 2k6b h ALA 45 Cb 0.66 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.37 2k6b h ALA 45 CO 0.05 0.17 -1.97 1.04 0.00 0.00 0.00 179.25 178.53 2k6b n GLN 46 N -3.21 0.65 -0.02 0.00 6.02 -0.58 -4.44 117.38 115.80 2k6b n GLN 46 Ca 0.01 0.18 -0.20 0.00 -0.01 0.00 0.00 57.00 56.98 2k6b n GLN 46 Cb 0.46 -1.69 -0.13 0.00 1.02 0.00 0.00 30.24 29.89 2k6b n GLN 46 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 2k6b h VAL 47 N 0.00 1.17 -3.35 5.09 2.07 -0.85 -3.44 116.25 116.94 2k6b h VAL 47 Ca -0.39 -2.36 -0.58 0.00 0.82 0.00 0.00 66.70 64.19 2k6b h VAL 47 Cb 2.10 2.77 -0.09 0.00 -1.52 0.00 0.00 31.29 34.56 2k6b h VAL 47 CO 0.06 0.61 -0.15 -0.76 0.02 0.00 0.00 177.57 177.35 2k6b s LEU 48 N -7.74 4.25 0.00 2.57 1.43 0.53 0.19 118.68 119.91 2k6b s LEU 48 Ca -0.21 0.75 -0.13 0.00 -1.03 0.00 0.00 54.13 53.51 2k6b s LEU 48 Cb 0.03 -2.65 0.18 0.00 0.03 0.00 0.00 46.19 43.78 2k6b s LEU 48 CO 0.73 -0.01 1.10 -0.67 0.23 0.00 0.00 176.35 177.72 2k6b n ASP 49 N 3.82 0.13 -0.33 2.29 2.03 -1.21 -4.41 116.55 118.87 2k6b n ASP 49 Ca -0.07 -1.42 0.05 0.00 0.52 0.00 0.00 54.79 53.87 2k6b n ASP 49 Cb 0.51 -0.83 0.24 0.00 -0.72 0.00 0.00 41.12 40.32 2k6b n ASP 49 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 2k6b h GLN 50 N 0.00 0.99 -0.49 -0.67 4.20 -1.93 -0.97 115.11 116.24 2k6b h GLN 50 Ca -0.35 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.23 2k6b h GLN 50 Cb 0.99 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 28.53 2k6b h GLN 50 CO 0.25 0.66 0.06 0.66 -0.67 0.00 0.00 178.83 179.79 2k6b h SER 51 N 1.02 0.79 -0.31 1.46 4.64 -1.94 -0.69 113.55 118.52 2k6b h SER 51 Ca 0.44 -0.27 -0.13 0.00 -0.47 0.00 0.00 61.79 61.35 2k6b h SER 51 Cb 0.33 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.19 2k6b h SER 51 CO -0.19 0.86 -0.30 0.00 -0.87 0.00 0.00 176.83 176.33 2k6b h ALA 52 N 0.96 0.75 -0.55 5.18 0.00 -1.56 -1.27 119.26 122.77 2k6b h ALA 52 Ca 0.15 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 2k6b h ALA 52 Cb 0.42 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2k6b h ALA 52 CO 0.01 0.66 0.20 0.00 0.00 0.00 0.00 179.25 180.11 2k6b h ARG 53 N 0.70 0.84 -0.86 0.00 -0.00 -0.82 0.13 114.38 114.36 2k6b h ARG 53 Ca 0.08 -0.17 -0.01 0.00 -0.50 0.00 0.00 59.98 59.38 2k6b h ARG 53 Cb 0.84 -0.13 -0.04 0.00 0.00 0.00 0.00 29.97 30.64 2k6b h ARG 53 CO 0.07 0.75 0.49 0.00 0.00 0.00 0.00 179.97 181.28 2k6b h ALA 54 N 1.05 1.24 -0.25 0.04 0.00 -0.91 0.15 119.26 120.58 2k6b h ALA 54 Ca 0.18 -0.12 -0.16 0.00 0.00 0.00 0.00 54.91 54.81 2k6b h ALA 54 Cb 0.24 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 2k6b h ALA 54 CO -0.01 0.63 -0.51 -0.09 0.00 0.00 0.00 179.25 179.27 2k6b h ARG 55 N 1.20 0.70 -0.74 0.00 9.65 -0.95 -2.23 114.38 122.01 2k6b h ARG 55 Ca 0.31 -0.42 -0.05 0.00 -1.10 0.00 0.00 59.98 58.72 2k6b h ARG 55 Cb -0.00 0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 28.58 2k6b h ARG 55 CO -0.05 1.03 0.25 1.25 2.80 0.00 0.00 179.97 185.26 2k6b h LEU 56 N 0.54 1.06 -0.24 3.80 5.85 0.01 0.13 115.31 126.46 2k6b h LEU 56 Ca 0.02 -0.20 -0.00 0.00 0.84 0.00 0.00 57.88 58.54 2k6b h LEU 56 Cb 1.07 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.81 2k6b h LEU 56 CO 0.10 0.97 0.15 0.28 -0.34 0.00 0.00 178.44 179.60 2k6b h SER 57 N 1.09 0.29 0.36 1.25 0.02 -0.58 0.63 113.55 116.61 2k6b h SER 57 Ca 0.24 -0.04 -0.07 0.00 -0.84 0.00 0.00 61.79 61.08 2k6b h SER 57 Cb 0.27 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 2k6b h SER 57 CO -0.01 0.25 -0.32 -1.13 -1.14 0.00 0.00 176.83 174.48 2k6b h ASN 58 N 0.31 0.00 -0.38 3.07 -1.24 -1.13 -1.25 115.58 114.96 2k6b h ASN 58 Ca 0.09 0.00 -0.16 0.00 0.71 0.00 0.00 56.30 56.93 2k6b h ASN 58 Cb 0.01 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.05 2k6b h ASN 58 CO -0.02 0.32 -0.40 0.25 -1.29 0.00 0.00 177.43 176.29 2k6b h LEU 59 N 0.00 1.00 -1.47 0.34 7.12 -0.39 -1.65 115.31 120.26 2k6b h LEU 59 Ca -0.00 -0.47 -0.06 0.00 0.13 0.00 0.00 57.88 57.48 2k6b h LEU 59 Cb 0.58 -0.28 -0.01 0.00 -0.53 0.00 0.00 40.66 40.42 2k6b h LEU 59 CO 0.04 1.27 -0.27 0.00 -0.13 0.00 0.00 178.44 179.35 2k6b h ALA 60 N 0.77 1.44 -0.25 1.25 0.00 -0.27 -0.14 119.26 122.06 2k6b h ALA 60 Ca 0.06 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 2k6b h ALA 60 Cb 0.99 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 2k6b h ALA 60 CO 0.10 0.34 -0.26 1.25 0.00 0.00 0.00 179.25 180.68 2k6b h LEU 61 N 0.00 0.65 0.03 0.00 6.46 -0.80 -3.20 115.31 118.45 2k6b h LEU 61 Ca -0.00 -0.48 -0.00 0.00 -0.12 0.00 0.00 57.88 57.28 2k6b h LEU 61 Cb 0.51 -0.18 0.00 0.00 -0.73 0.00 0.00 40.66 40.26 2k6b h LEU 61 CO 0.04 1.00 -0.01 -0.37 -0.62 0.00 0.00 178.44 178.47 2k6b h VAL 62 N 0.31 1.36 -1.39 1.05 -1.51 -0.88 -3.45 116.25 111.75 2k6b h VAL 62 Ca 0.04 -1.79 -0.15 0.00 -1.23 0.00 0.00 66.70 63.57 2k6b h VAL 62 Cb 0.82 2.46 -0.24 0.00 -2.13 0.00 0.00 31.29 32.20 2k6b h VAL 62 CO 0.06 0.42 -0.51 -1.59 -1.23 0.00 0.00 177.57 174.72 2k6b s LYS 63 N -2.67 0.63 0.47 5.19 -2.85 -0.10 -5.02 119.74 115.38 2k6b s LYS 63 Ca -0.15 -0.16 0.32 0.00 -1.00 0.00 0.00 55.97 54.98 2k6b s LYS 63 Cb -0.01 -0.16 1.65 0.00 -2.06 0.00 0.00 37.83 37.24 2k6b s LYS 63 CO 0.57 -1.13 1.97 -1.00 0.10 0.00 0.00 175.35 175.86 2k6b h PRO 64 N 7.48 0.00 -0.33 1.78 0.13 -1.68 -2.82 132.00 136.56 2k6b h PRO 64 Ca 0.01 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 65.20 2k6b h PRO 64 Cb 1.14 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.21 2k6b h PRO 64 CO 0.17 0.00 -0.03 0.93 -0.23 0.00 0.00 178.00 178.84 2k6b h GLU 65 N 0.00 0.06 0.00 0.86 3.07 -1.91 -0.41 114.58 116.25 2k6b h GLU 65 Ca 0.00 -0.00 -0.17 0.00 -0.50 0.00 0.00 59.36 58.68 2k6b h GLU 65 Cb 0.09 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 27.96 2k6b h GLU 65 CO 0.00 0.04 -0.82 0.87 -1.40 0.00 0.00 179.01 177.70 2k6b h LYS 66 N 0.06 0.00 -0.48 2.33 1.79 -1.87 -2.91 116.57 115.48 2k6b h LYS 66 Ca 0.16 0.00 0.06 0.00 -2.18 0.00 0.00 60.65 58.69 2k6b h LYS 66 Cb 0.23 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.83 2k6b h LYS 66 CO -0.29 0.82 0.20 1.15 -1.08 0.00 0.00 179.45 180.25 2k6b h THR 67 N 0.00 0.88 -0.98 -0.16 2.02 -1.42 0.03 112.91 113.29 2k6b h THR 67 Ca -0.01 -0.14 0.07 0.00 0.77 0.00 0.00 66.41 67.11 2k6b h THR 67 Cb 1.56 0.45 -0.07 0.00 -1.74 0.00 0.00 68.15 68.36 2k6b h THR 67 CO 0.11 0.07 0.63 0.11 0.37 0.00 0.00 175.52 176.81 2k6b h LYS 68 N 0.40 1.09 -0.14 6.66 1.57 -0.90 0.40 116.57 125.64 2k6b h LYS 68 Ca 0.22 -0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 58.86 2k6b h LYS 68 Cb 0.20 -0.25 -0.00 0.00 0.08 0.00 0.00 32.23 32.26 2k6b h LYS 68 CO -0.20 0.72 -0.22 0.00 -0.57 0.00 0.00 179.45 179.18 2k6b h ALA 69 N 1.48 0.21 -0.12 3.86 0.00 -1.27 -2.30 119.26 121.12 2k6b h ALA 69 Ca 0.43 -0.37 -0.17 0.00 0.00 0.00 0.00 54.91 54.80 2k6b h ALA 69 Cb 0.21 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2k6b h ALA 69 CO -0.17 0.17 -0.63 -0.39 0.00 0.00 0.00 179.25 178.22 2k6b h VAL 70 N 0.00 1.35 -0.27 0.00 -1.51 -0.39 0.99 116.25 116.42 2k6b h VAL 70 Ca 0.01 -1.96 0.01 0.00 -1.23 0.00 0.00 66.70 63.53 2k6b h VAL 70 Cb 0.79 1.94 -0.02 0.00 -2.13 0.00 0.00 31.29 31.88 2k6b h VAL 70 CO 0.05 0.60 0.16 -0.33 -1.23 0.00 0.00 177.57 176.82 2k6b h GLU 71 N 0.33 0.32 -0.59 5.19 5.08 -0.29 0.11 114.58 124.73 2k6b h GLU 71 Ca -0.01 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2k6b h GLU 71 Cb 1.18 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.33 2k6b h GLU 71 CO 0.11 0.21 0.37 -0.97 -1.00 0.00 0.00 179.01 177.73 2k6b h ASN 72 N 0.33 0.71 -0.41 1.42 -0.73 -1.26 -1.81 115.58 113.82 2k6b h ASN 72 Ca 0.10 -0.05 -0.01 0.00 1.87 0.00 0.00 56.30 58.21 2k6b h ASN 72 Cb -0.01 -0.18 -0.02 0.00 0.27 0.00 0.00 38.32 38.38 2k6b h ASN 72 CO -0.04 0.55 0.21 0.22 -0.37 0.00 0.00 177.43 178.00 2k6b h TYR 73 N 0.80 0.58 -0.62 0.67 3.20 -0.24 -2.06 116.97 119.30 2k6b h TYR 73 Ca 0.21 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.03 2k6b h TYR 73 Cb -0.04 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.02 2k6b h TYR 73 CO -0.02 0.46 0.25 -0.07 -1.64 0.00 0.00 178.16 177.13 2k6b h LEU 74 N 0.53 0.83 -0.98 2.82 -0.00 -0.59 -0.19 115.31 117.73 2k6b h LEU 74 Ca 0.14 -0.11 0.05 0.00 -0.00 0.00 0.00 57.88 57.96 2k6b h LEU 74 Cb 0.08 -0.21 -0.06 0.00 -0.00 0.00 0.00 40.66 40.47 2k6b h LEU 74 CO -0.02 0.74 0.64 0.40 -0.00 0.00 0.00 178.44 180.20 2k6b h ILE 75 N 0.89 1.13 0.00 1.22 2.04 -0.88 0.32 117.51 122.24 2k6b h ILE 75 Ca 0.21 -0.41 -0.00 0.00 1.00 0.00 0.00 64.86 65.66 2k6b h ILE 75 Cb 0.17 -0.17 0.00 0.00 -0.74 0.00 0.00 36.82 36.08 2k6b h ILE 75 CO -0.02 0.22 -0.00 1.56 0.00 0.00 0.00 178.15 179.91 2k6b h GLN 76 N 1.20 -0.00 -0.75 2.37 1.08 -0.62 -0.79 115.11 117.59 2k6b h GLN 76 Ca 0.40 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.59 2k6b h GLN 76 Cb 0.07 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.46 2k6b h GLN 76 CO -0.14 0.30 0.41 1.98 -0.95 0.00 0.00 178.83 180.43 2k6b h MET 77 N -0.30 1.03 -0.11 1.46 4.05 -0.70 -0.52 114.93 119.84 2k6b h MET 77 Ca -0.00 -0.11 -0.08 0.00 -0.28 0.00 0.00 59.70 59.22 2k6b h MET 77 Cb 0.30 -0.21 -0.01 0.00 -0.80 0.00 0.00 31.60 30.88 2k6b h MET 77 CO 0.00 0.76 -0.31 0.00 0.23 0.00 0.00 176.91 177.58 2k6b h ALA 78 N 1.41 1.27 0.00 0.39 0.00 -0.23 -2.26 119.26 119.84 2k6b h ALA 78 Ca 0.27 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2k6b h ALA 78 Cb 0.02 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2k6b h ALA 78 CO -0.04 0.50 0.00 -0.09 0.00 0.00 0.00 179.25 179.62 2k6b h ARG 79 N 0.19 0.00 0.00 0.00 9.65 0.42 -1.29 114.38 123.35 2k6b h ARG 79 Ca 0.03 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.91 2k6b h ARG 79 Cb 0.65 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.23 2k6b h ARG 79 CO 0.05 0.00 0.00 1.88 2.80 0.00 0.00 179.97 184.70 2k6b h TYR 80 N 0.00 0.00 -1.19 2.20 -1.99 -0.93 -3.47 116.97 111.59 2k6b h TYR 80 Ca 0.00 0.00 -0.24 0.00 2.00 0.00 0.00 58.73 60.49 2k6b h TYR 80 Cb 0.52 0.00 -0.05 0.00 2.00 0.00 0.00 36.73 39.21 2k6b h TYR 80 CO 0.00 0.00 -0.26 0.41 -0.00 0.00 0.00 178.16 178.31 2k6b n GLY 81 N 0.91 0.50 0.71 3.88 0.00 -0.49 -4.89 105.19 105.82 2k6b n GLY 81 Ca 0.04 -0.43 0.11 0.00 0.00 0.00 0.00 46.02 45.73 2k6b n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k6b n GLN 82 N -2.36 1.94 -3.12 1.61 10.64 -1.26 -4.73 117.38 120.10 2k6b n GLN 82 Ca -0.13 -1.41 -0.45 0.00 -1.83 0.00 0.00 57.00 53.18 2k6b n GLN 82 Cb 0.51 -1.42 -0.02 0.00 -0.86 0.00 0.00 30.24 28.44 2k6b n GLN 82 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 2k6b s LEU 83 N -1.56 5.85 -0.10 2.61 2.01 -1.26 -4.66 118.68 121.58 2k6b s LEU 83 Ca 0.34 -2.28 -0.14 0.00 0.01 0.00 0.00 54.13 52.06 2k6b s LEU 83 Cb 0.19 -2.31 -0.28 0.00 0.01 0.00 0.00 46.19 43.80 2k6b s LEU 83 CO 0.28 -0.85 0.56 0.28 1.01 0.00 0.00 176.35 177.62 2k6b h SER 84 N 8.40 0.43 -1.83 2.29 0.02 -1.99 -3.47 113.55 117.39 2k6b h SER 84 Ca 0.09 -0.87 -0.46 0.00 -0.84 0.00 0.00 61.79 59.70 2k6b h SER 84 Cb 1.04 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.42 2k6b h SER 84 CO 0.95 1.68 -0.39 -1.61 -1.14 0.00 0.00 176.83 176.31 2k6b s GLU 85 N -2.50 2.96 0.35 3.45 0.41 -1.26 -5.09 118.70 117.01 2k6b s GLU 85 Ca -0.19 -1.13 -0.26 0.00 -0.41 0.00 0.00 54.97 52.98 2k6b s GLU 85 Cb 0.05 -2.67 -0.09 0.00 -1.78 0.00 0.00 34.13 29.63 2k6b s GLU 85 CO 0.78 0.09 1.04 0.15 -0.49 0.00 0.00 175.26 176.83 2k6b s LYS 86 N -4.09 4.40 -0.30 1.61 -0.14 -1.26 -4.95 119.74 115.01 2k6b s LYS 86 Ca 0.43 1.55 -0.29 0.00 -1.36 0.00 0.00 55.97 56.30 2k6b s LYS 86 Cb -0.08 -2.79 0.01 0.00 -1.68 0.00 0.00 37.83 33.29 2k6b s LYS 86 CO 0.29 0.06 1.12 0.08 -0.76 0.00 0.00 175.35 176.14 2k6b s VAL 87 N -1.50 4.45 0.87 3.17 1.01 0.13 -4.92 120.40 123.62 2k6b s VAL 87 Ca 0.52 1.68 -0.13 0.00 0.00 0.00 0.00 61.98 64.05 2k6b s VAL 87 Cb -0.24 -4.35 0.14 0.00 0.00 0.00 0.00 36.38 31.93 2k6b s VAL 87 CO 0.30 -0.44 1.23 -0.94 0.00 0.00 0.00 175.10 175.26 2k6b s SER 88 N 1.81 3.85 0.16 3.32 1.04 -1.26 -3.32 113.70 119.29 2k6b s SER 88 Ca 0.47 0.48 -0.16 0.00 0.48 0.00 0.00 55.95 57.23 2k6b s SER 88 Cb -0.14 -0.76 0.03 0.00 0.10 0.00 0.00 66.02 65.25 2k6b s SER 88 CO 0.16 -2.29 1.81 -0.33 0.98 0.00 0.00 173.24 173.57 2k6b h GLU 89 N -1.30 0.50 -0.53 4.02 5.08 -1.95 -0.11 114.58 120.29 2k6b h GLU 89 Ca -0.45 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 57.88 2k6b h GLU 89 Cb 1.28 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.39 2k6b h GLU 89 CO 0.52 0.33 0.32 -0.56 -1.00 0.00 0.00 179.01 178.61 2k6b h GLN 90 N 0.51 0.71 -0.21 2.33 3.07 -1.98 0.42 115.11 119.96 2k6b h GLN 90 Ca 0.16 -0.06 -0.06 0.00 0.09 0.00 0.00 58.65 58.78 2k6b h GLN 90 Cb -0.02 -0.15 -0.00 0.00 0.08 0.00 0.00 27.48 27.38 2k6b h GLN 90 CO -0.06 0.50 -0.12 0.78 0.09 0.00 0.00 178.83 180.02 2k6b h GLY 91 N 0.76 0.49 1.03 0.06 0.00 -1.69 0.37 103.07 104.09 2k6b h GLY 91 Ca 0.19 -0.45 -0.00 0.00 0.00 0.00 0.00 47.33 47.07 2k6b h GLY 91 CO -0.04 0.41 0.60 -2.00 0.00 0.00 0.00 176.54 175.51 2k6b h LEU 92 N 0.14 1.14 -0.71 3.11 5.85 -0.48 -1.16 115.31 123.21 2k6b h LEU 92 Ca 0.04 -0.06 -0.11 0.00 0.84 0.00 0.00 57.88 58.59 2k6b h LEU 92 Cb 0.63 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 2k6b h LEU 92 CO 0.03 0.86 -0.22 0.40 -0.34 0.00 0.00 178.44 179.18 2k6b h ILE 93 N 1.32 1.27 -0.51 4.05 2.04 -0.73 0.16 117.51 125.11 2k6b h ILE 93 Ca 0.35 -1.32 -0.02 0.00 1.00 0.00 0.00 64.86 64.87 2k6b h ILE 93 Cb -0.08 1.21 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 2k6b h ILE 93 CO -0.07 0.44 0.25 -0.33 0.00 0.00 0.00 178.15 178.44 2k6b h GLU 94 N 0.67 0.73 0.10 2.37 4.39 -0.15 0.13 114.58 122.82 2k6b h GLU 94 Ca 0.09 -0.11 -0.00 0.00 0.34 0.00 0.00 59.36 59.68 2k6b h GLU 94 Cb 0.72 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.24 2k6b h GLU 94 CO 0.06 0.61 -0.05 0.82 -1.16 0.00 0.00 179.01 179.28 2k6b h ILE 95 N 0.68 0.95 -0.99 3.13 2.04 -1.03 -2.83 117.51 119.47 2k6b h ILE 95 Ca 0.18 -0.17 0.18 0.00 1.00 0.00 0.00 64.86 66.04 2k6b h ILE 95 Cb 0.11 1.06 -0.10 0.00 -0.74 0.00 0.00 36.82 37.16 2k6b h ILE 95 CO -0.02 0.04 0.61 0.25 0.00 0.00 0.00 178.15 179.03 2k6b h LEU 96 N -0.21 0.74 -0.22 1.44 5.85 -0.31 -0.66 115.31 121.94 2k6b h LEU 96 Ca -0.01 0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.80 2k6b h LEU 96 Cb 0.17 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 2k6b h LEU 96 CO 0.02 0.29 0.10 0.11 -0.34 0.00 0.00 178.44 178.62 2k6b h LYS 97 N 0.74 0.21 0.00 1.25 1.57 -0.73 -0.22 116.57 119.38 2k6b h LYS 97 Ca 0.55 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 59.26 2k6b h LYS 97 Cb 0.89 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.14 2k6b h LYS 97 CO -0.33 0.14 -0.27 1.57 -0.57 0.00 0.00 179.45 179.99 2k6b h LYS 98 N 0.22 0.00 -0.00 3.15 5.09 -1.02 -3.10 116.57 120.90 2k6b h LYS 98 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.83 2k6b h LYS 98 Cb 0.03 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.36 2k6b h LYS 98 CO -0.07 0.27 -0.53 0.28 -2.09 0.00 0.00 179.45 177.31 2k6b n VAL 99 N -3.30 0.00 -0.28 0.07 0.31 -0.69 -3.19 118.33 111.25 2k6b n VAL 99 Ca 0.01 -0.08 0.09 0.00 -0.01 0.00 0.00 64.34 64.36 2k6b n VAL 99 Cb 0.52 0.62 0.24 0.00 -0.91 0.00 0.00 33.84 34.31 2k6b n VAL 99 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 2k6b h SER 100 N 0.75 -0.01 0.00 4.52 4.64 -0.96 -3.16 113.55 119.34 2k6b h SER 100 Ca 0.00 0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 2k6b h SER 100 Cb 0.54 0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 2k6b h SER 100 CO 0.00 -0.10 0.00 1.67 -0.87 0.00 0.00 176.83 177.53 2k6b n GLN 101 N -5.20 0.00 -3.15 4.77 7.27 -1.26 -5.01 117.38 114.80 2k6b n GLN 101 Ca 0.18 0.15 0.06 0.00 0.07 0.00 0.00 57.00 57.45 2k6b n GLN 101 Cb 0.58 -0.59 -0.01 0.00 2.41 0.00 0.00 30.24 32.63 2k6b n GLN 101 CO 0.00 0.00 0.00 1.14 0.07 0.00 0.00 177.06 178.27 2k6b s GLN 102 N -0.82 0.08 -0.47 3.69 -2.07 -1.19 -5.09 119.66 113.78 2k6b s GLN 102 Ca 0.00 0.11 0.06 0.00 -1.82 0.00 0.00 55.36 53.71 2k6b s GLN 102 Cb 0.00 0.06 0.18 0.00 -1.09 0.00 0.00 33.01 32.16 2k6b s GLN 102 CO 0.00 -0.12 0.58 2.41 -1.32 0.00 0.00 175.29 176.84 2k6b n THR 103 N 5.26 -0.49 -0.96 3.63 -1.04 -1.19 -4.89 114.28 114.60 2k6b n THR 103 Ca 0.01 -2.01 0.00 0.00 -2.04 0.00 0.00 64.05 60.01 2k6b n THR 103 Cb 0.56 -0.07 0.00 0.00 -1.82 0.00 0.00 70.33 69.00 2k6b n THR 103 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 2k6b n GLU 104 N 2.84 0.00 -2.59 -2.82 -0.00 -1.26 -4.32 120.64 112.50 2k6b n GLU 104 Ca 0.22 0.00 -0.41 0.00 -0.00 0.00 0.00 57.16 56.97 2k6b n GLU 104 Cb 0.53 0.00 -0.03 0.00 -0.00 0.00 0.00 31.44 31.94 2k6b n GLU 104 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.13 177.34 2k6b s LYS 105 N 0.00 3.64 0.40 3.44 2.36 -1.26 -4.95 119.74 123.36 2k6b s LYS 105 Ca 0.00 -1.26 -0.06 0.00 -2.55 0.00 0.00 55.97 52.09 2k6b s LYS 105 Cb 0.00 -5.35 -0.05 0.00 -1.05 0.00 0.00 37.83 31.39 2k6b s LYS 105 CO 0.00 -2.18 0.70 -0.08 1.55 0.00 0.00 175.35 175.34 2k6b s THR 106 N 4.72 4.92 -1.34 3.43 -1.32 -1.26 -4.97 115.64 119.83 2k6b s THR 106 Ca 0.46 0.23 -0.17 0.00 -1.21 0.00 0.00 61.69 61.00 2k6b s THR 106 Cb 0.00 -3.79 0.05 0.00 -1.51 0.00 0.00 72.50 67.24 2k6b s THR 106 CO -0.08 -0.60 1.92 0.41 -2.21 0.00 0.00 174.62 174.06 2k6b n THR 107 N -1.62 3.64 -3.59 5.08 -1.04 -1.26 -4.73 114.28 110.77 2k6b n THR 107 Ca 0.00 -3.58 -0.13 0.00 -2.04 0.00 0.00 64.05 58.30 2k6b n THR 107 Cb 0.55 -2.43 -0.06 0.00 -1.82 0.00 0.00 70.33 66.57 2k6b n THR 107 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2k6b s THR 108 N 4.20 0.00 -0.81 12.58 2.01 -1.26 -5.10 115.64 127.25 2k6b s THR 108 Ca 0.52 0.00 -0.24 0.00 0.31 0.00 0.00 61.69 62.28 2k6b s THR 108 Cb 0.07 -1.00 0.06 0.00 0.01 0.00 0.00 72.50 71.64 2k6b s THR 108 CO 0.03 0.00 1.23 0.68 -0.69 0.00 0.00 174.62 175.87 2k6b s VAL 109 N -0.57 4.02 0.08 3.82 -7.23 -1.26 -4.99 120.40 114.27 2k6b s VAL 109 Ca -0.03 -0.27 -0.12 0.00 -1.81 0.00 0.00 61.98 59.75 2k6b s VAL 109 Cb -0.02 -4.89 -0.06 0.00 0.56 0.00 0.00 36.38 31.97 2k6b s VAL 109 CO 0.02 -1.75 0.44 -1.59 -0.31 0.00 0.00 175.10 171.91 2k6b s LYS 110 N 4.83 3.85 0.72 4.82 -2.85 -1.26 -5.08 119.74 124.77 2k6b s LYS 110 Ca 0.34 0.30 -0.09 0.00 -1.00 0.00 0.00 55.97 55.53 2k6b s LYS 110 Cb -0.08 -3.02 0.05 0.00 -2.06 0.00 0.00 37.83 32.73 2k6b s LYS 110 CO 0.05 0.56 1.06 -0.06 0.10 0.00 0.00 175.35 177.06 2k6b s PHE 111 N -1.36 3.04 0.00 1.78 0.40 -1.26 -5.20 117.98 115.38 2k6b s PHE 111 Ca 0.33 0.66 0.00 0.00 -0.60 0.00 0.00 56.93 57.32 2k6b s PHE 111 Cb -0.15 -3.20 0.00 0.00 0.51 0.00 0.00 43.02 40.18 2k6b s PHE 111 CO 0.18 -1.40 0.40 0.09 0.70 0.00 0.00 175.22 175.18