#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 4.92 -0.31 1.61 7.64 -1.26 -4.56 113.62 121.67 2k6b n SER 1 Ca 0.00 -2.82 -0.03 0.00 1.01 0.00 0.00 58.87 57.03 2k6b n SER 1 Cb 0.00 -0.87 0.09 0.00 -1.01 0.00 0.00 64.21 62.42 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 1.49 1.08 0.14 -0.43 0.00 -2.05 0.32 119.26 119.81 2k6b h ALA 2 Ca 0.25 -0.05 -0.25 0.00 0.00 0.00 0.00 54.91 54.87 2k6b h ALA 2 Cb 1.31 -0.31 0.03 0.00 0.00 0.00 0.00 17.79 18.82 2k6b h ALA 2 CO 0.56 0.41 -1.07 0.22 0.00 0.00 0.00 179.25 179.38 2k6b h ASP 3 N 1.09 0.69 -0.08 0.00 3.58 -2.00 -3.25 116.42 116.45 2k6b h ASP 3 Ca 0.32 -0.88 0.03 0.00 0.42 0.00 0.00 57.03 56.92 2k6b h ASP 3 Cb -0.06 -0.22 -0.04 0.00 1.72 0.00 0.00 39.33 40.74 2k6b h ASP 3 CO -0.09 1.51 -0.13 -0.33 -2.88 0.00 0.00 179.24 177.32 2k6b h GLU 4 N -0.02 -0.17 -0.67 0.28 3.07 -1.77 0.12 114.58 115.42 2k6b h GLU 4 Ca -0.17 0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 58.67 2k6b h GLU 4 Cb 1.80 0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 29.72 2k6b h GLU 4 CO 0.20 -0.11 0.32 1.05 -1.40 0.00 0.00 179.01 179.07 2k6b h GLU 5 N -0.17 0.95 -0.15 2.33 4.11 -0.51 0.33 114.58 121.46 2k6b h GLU 5 Ca 0.07 -0.12 -0.20 0.00 0.07 0.00 0.00 59.36 59.17 2k6b h GLU 5 Cb 0.27 -0.18 0.01 0.00 0.50 0.00 0.00 28.75 29.35 2k6b h GLU 5 CO -0.18 0.73 -0.71 1.25 0.07 0.00 0.00 179.01 180.17 2k6b h LEU 6 N 0.94 0.87 -0.38 3.06 5.85 -1.50 -1.15 115.31 123.01 2k6b h LEU 6 Ca 0.23 -0.63 -0.05 0.00 0.84 0.00 0.00 57.88 58.28 2k6b h LEU 6 Cb 0.09 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 2k6b h LEU 6 CO -0.03 1.36 0.05 -0.08 -0.34 0.00 0.00 178.44 179.40 2k6b h GLU 7 N 0.44 0.63 -0.89 1.25 4.81 -0.31 -1.16 114.58 119.36 2k6b h GLU 7 Ca -0.05 -0.17 0.03 0.00 -0.13 0.00 0.00 59.36 59.04 2k6b h GLU 7 Cb 1.34 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 30.59 2k6b h GLU 7 CO 0.15 0.70 0.57 0.00 -0.73 0.00 0.00 179.01 179.70 2k6b h ALA 8 N 0.91 1.17 0.17 2.92 0.00 -0.32 0.18 119.26 124.29 2k6b h ALA 8 Ca 0.11 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2k6b h ALA 8 Cb 0.38 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2k6b h ALA 8 CO 0.01 0.43 -0.16 1.25 0.00 0.00 0.00 179.25 180.78 2k6b h LEU 9 N 1.11 -0.42 0.13 0.00 6.46 -0.89 -0.30 115.31 121.40 2k6b h LEU 9 Ca 0.35 0.04 -0.01 0.00 -0.12 0.00 0.00 57.88 58.15 2k6b h LEU 9 Cb 0.01 0.14 0.00 0.00 -0.73 0.00 0.00 40.66 40.08 2k6b h LEU 9 CO -0.12 -0.24 -0.06 0.03 -0.62 0.00 0.00 178.44 177.43 2k6b h ARG 10 N -0.35 -0.17 -0.85 1.25 3.08 -0.46 0.22 114.38 117.09 2k6b h ARG 10 Ca 0.00 0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 2k6b h ARG 10 Cb 0.33 0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.38 2k6b h ARG 10 CO -0.03 -0.10 0.52 0.00 -1.07 0.00 0.00 179.97 179.28 2k6b h ARG 11 N -0.19 1.15 -0.32 0.04 3.08 -0.64 0.18 114.38 117.68 2k6b h ARG 11 Ca -0.02 -0.10 -0.07 0.00 0.07 0.00 0.00 59.98 59.86 2k6b h ARG 11 Cb 0.15 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 2k6b h ARG 11 CO 0.03 0.80 -0.07 0.37 -1.07 0.00 0.00 179.97 180.03 2k6b h GLN 12 N 1.17 0.62 0.00 0.04 4.15 -0.88 -2.71 115.11 117.49 2k6b h GLN 12 Ca 0.31 -0.23 -0.06 0.00 0.77 0.00 0.00 58.65 59.44 2k6b h GLN 12 Cb -0.06 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.58 2k6b h GLN 12 CO -0.06 0.79 -0.27 -0.09 -1.93 0.00 0.00 178.83 177.28 2k6b h ARG 13 N 0.40 0.00 -0.65 1.69 9.65 -0.33 -1.08 114.38 124.06 2k6b h ARG 13 Ca 0.08 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 58.93 2k6b h ARG 13 Cb 0.56 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.11 2k6b h ARG 13 CO 0.03 0.27 0.28 1.25 2.80 0.00 0.00 179.97 184.60 2k6b h LEU 14 N 0.00 0.88 -0.67 3.80 5.85 -0.44 0.11 115.31 124.83 2k6b h LEU 14 Ca -0.00 -0.15 -0.13 0.00 0.84 0.00 0.00 57.88 58.43 2k6b h LEU 14 Cb 0.49 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 2k6b h LEU 14 CO 0.03 0.79 -0.39 0.00 -0.34 0.00 0.00 178.44 178.53 2k6b h ALA 15 N 1.12 0.85 0.00 1.25 0.00 -0.97 -1.88 119.26 119.63 2k6b h ALA 15 Ca 0.22 -0.43 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 2k6b h ALA 15 Cb 0.17 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2k6b h ALA 15 CO -0.02 0.64 -0.41 0.93 0.00 0.00 0.00 179.25 180.39 2k6b h GLU 16 N 0.49 0.00 -0.02 0.00 4.39 -0.79 -2.12 114.58 116.53 2k6b h GLU 16 Ca 0.04 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.54 2k6b h GLU 16 Cb 0.89 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.54 2k6b h GLU 16 CO 0.08 0.41 -0.85 1.25 -1.16 0.00 0.00 179.01 178.74 2k6b h LEU 17 N 0.00 0.40 0.18 1.33 6.46 -0.50 -3.47 115.31 119.70 2k6b h LEU 17 Ca -0.00 -0.30 -0.08 0.00 -0.12 0.00 0.00 57.88 57.38 2k6b h LEU 17 Cb 0.79 -0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 40.57 2k6b h LEU 17 CO 0.05 1.08 -0.07 1.67 -0.62 0.00 0.00 178.44 180.55 2k6b n GLN 18 N -3.74 -0.72 -3.87 1.25 7.27 -0.73 -4.98 117.38 111.87 2k6b n GLN 18 Ca -0.05 0.47 -0.16 0.00 0.07 0.00 0.00 57.00 57.33 2k6b n GLN 18 Cb 0.78 -4.19 -0.16 0.00 2.41 0.00 0.00 30.24 29.09 2k6b n GLN 18 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2k6b s ALA 19 N -1.91 0.19 -0.71 1.69 0.00 -1.26 -5.07 121.76 114.69 2k6b s ALA 19 Ca 0.00 0.19 -0.26 0.00 0.00 0.00 0.00 51.96 51.89 2k6b s ALA 19 Cb 0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 23.12 22.86 2k6b s ALA 19 CO 0.00 -0.07 1.76 -1.59 0.00 0.00 0.00 175.76 175.86 2k6b s LYS 20 N 0.88 2.76 -0.43 0.00 -2.85 -1.26 -4.83 119.74 114.01 2k6b s LYS 20 Ca -0.08 0.20 0.03 0.00 -1.00 0.00 0.00 55.97 55.12 2k6b s LYS 20 Cb -0.11 -4.53 0.16 0.00 -2.06 0.00 0.00 37.83 31.28 2k6b s LYS 20 CO -0.02 -2.73 0.31 -1.58 0.10 0.00 0.00 175.35 171.43 2k6b s HIS 21 N 8.50 1.41 0.48 1.78 2.46 -1.26 -4.98 115.29 123.67 2k6b s HIS 21 Ca 0.61 -2.29 0.20 0.00 0.47 0.00 0.00 55.06 54.05 2k6b s HIS 21 Cb -0.10 -1.25 1.21 0.00 -0.13 0.00 0.00 32.58 32.31 2k6b s HIS 21 CO 0.14 -0.79 1.96 0.78 -2.47 0.00 0.00 174.74 174.36 2k6b h GLY 22 N 6.08 0.37 -6.38 1.59 0.00 -2.00 -3.41 103.07 99.31 2k6b h GLY 22 Ca 0.17 -0.09 -0.57 0.00 0.00 0.00 0.00 47.33 46.83 2k6b h GLY 22 CO 0.40 0.04 1.24 -0.35 0.00 0.00 0.00 176.54 177.87 2k6b s ASP 23 N -6.09 6.09 -0.07 0.19 2.15 -1.26 -4.87 116.67 112.81 2k6b s ASP 23 Ca -0.07 1.68 0.13 0.00 0.43 0.00 0.00 52.55 54.73 2k6b s ASP 23 Cb 0.20 -2.53 0.49 0.00 -0.30 0.00 0.00 42.92 40.79 2k6b s ASP 23 CO 0.75 -1.49 1.36 -0.81 -0.17 0.00 0.00 175.17 174.81 2k6b n PRO 24 N 8.06 2.80 -1.22 4.34 -0.04 -1.26 -3.98 135.00 143.70 2k6b n PRO 24 Ca 0.22 -1.95 -0.20 0.00 -0.04 0.00 0.00 63.50 61.53 2k6b n PRO 24 Cb 0.45 -1.66 -0.07 0.00 -0.04 0.00 0.00 33.50 32.19 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 0.93 3.87 4.37 0.55 0.00 -1.26 -4.78 105.19 108.87 2k6b n GLY 25 Ca 0.18 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.71 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 1.23 0.00 0.22 1.61 2.03 -1.26 -4.71 116.55 115.68 2k6b n ASP 26 Ca 0.42 0.00 0.18 0.00 0.52 0.00 0.00 54.79 55.91 2k6b n ASP 26 Cb 0.65 0.00 0.82 0.00 -0.72 0.00 0.00 41.12 41.86 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 0.00 1.70 -1.01 -1.67 0.00 -1.86 -0.22 119.26 116.20 2k6b h ALA 27 Ca 0.00 -0.01 0.14 0.00 0.00 0.00 0.00 54.91 55.05 2k6b h ALA 27 Cb 0.00 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 17.71 2k6b h ALA 27 CO 0.00 -0.43 0.63 0.00 0.00 0.00 0.00 179.25 179.45 2k6b h ALA 28 N 1.51 1.57 0.00 0.00 0.00 -1.84 -1.64 119.26 118.86 2k6b h ALA 28 Ca 0.09 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 2k6b h ALA 28 Cb 0.75 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2k6b h ALA 28 CO -0.00 0.13 -0.48 -0.56 0.00 0.00 0.00 179.25 178.34 2k6b h GLN 29 N 0.92 0.00 -0.53 0.00 3.07 -1.40 -3.08 115.11 114.09 2k6b h GLN 29 Ca 0.53 0.00 -0.10 0.00 0.09 0.00 0.00 58.65 59.17 2k6b h GLN 29 Cb 0.63 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.17 2k6b h GLN 29 CO -0.31 0.48 -0.05 0.37 0.09 0.00 0.00 178.83 179.41 2k6b h GLN 30 N 0.00 0.93 -0.04 0.06 4.15 -1.40 -1.59 115.11 117.22 2k6b h GLN 30 Ca -0.00 -0.30 -0.10 0.00 0.77 0.00 0.00 58.65 59.02 2k6b h GLN 30 Cb 1.28 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.87 2k6b h GLN 30 CO 0.06 0.96 -0.43 1.49 -1.93 0.00 0.00 178.83 178.98 2k6b h GLU 31 N 0.85 0.09 -0.55 1.69 4.81 -1.39 0.23 114.58 120.32 2k6b h GLU 31 Ca 0.15 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.28 2k6b h GLU 31 Cb 0.57 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.93 2k6b h GLU 31 CO 0.03 0.51 0.11 0.00 -0.73 0.00 0.00 179.01 178.93 2k6b h ALA 32 N 1.49 0.73 -0.27 2.92 0.00 -1.32 -0.75 119.26 122.05 2k6b h ALA 32 Ca 0.00 -0.23 -0.15 0.00 0.00 0.00 0.00 54.91 54.54 2k6b h ALA 32 Cb 0.80 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2k6b h ALA 32 CO 0.06 0.45 -0.43 -0.22 0.00 0.00 0.00 179.25 179.11 2k6b h LYS 33 N 0.79 0.66 -0.58 0.00 1.63 -0.82 -2.69 116.57 115.55 2k6b h LYS 33 Ca 0.17 -0.36 0.05 0.00 -0.85 0.00 0.00 60.65 59.66 2k6b h LYS 33 Cb 0.38 0.01 -0.05 0.00 -0.60 0.00 0.00 32.23 31.98 2k6b h LYS 33 CO 0.01 0.96 0.32 1.25 -3.45 0.00 0.00 179.45 178.54 2k6b h HIS 34 N 0.54 0.59 0.00 1.91 2.76 -0.16 -0.52 115.15 120.26 2k6b h HIS 34 Ca 0.04 0.02 -0.09 0.00 -2.20 0.00 0.00 60.37 58.14 2k6b h HIS 34 Cb 0.96 -0.18 -0.01 0.00 1.55 0.00 0.00 27.41 29.73 2k6b h HIS 34 CO 0.05 0.29 -0.45 0.07 -1.30 0.00 0.00 177.93 176.59 2k6b h ARG 35 N 0.61 0.00 -0.22 5.26 0.11 -0.99 0.12 114.38 119.27 2k6b h ARG 35 Ca 0.26 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.31 2k6b h ARG 35 Cb 0.13 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.20 2k6b h ARG 35 CO -0.16 0.45 0.04 0.93 0.10 0.00 0.00 179.97 181.33 2k6b h GLU 36 N 0.00 0.36 -0.53 0.08 5.08 -0.98 -2.09 114.58 116.49 2k6b h GLU 36 Ca -0.00 -0.09 -0.04 0.00 -1.00 0.00 0.00 59.36 58.22 2k6b h GLU 36 Cb 0.90 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.08 2k6b h GLU 36 CO 0.06 0.49 0.18 0.00 -1.00 0.00 0.00 179.01 178.74 2k6b h ALA 37 N 0.85 0.69 -0.89 3.43 0.00 -0.85 -2.98 119.26 119.52 2k6b h ALA 37 Ca 0.07 -0.18 0.12 0.00 0.00 0.00 0.00 54.91 54.92 2k6b h ALA 37 Cb 0.30 -0.21 -0.08 0.00 0.00 0.00 0.00 17.79 17.80 2k6b h ALA 37 CO 0.00 0.34 0.52 1.49 0.00 0.00 0.00 179.25 181.60 2k6b h GLU 38 N 0.73 0.77 -0.43 0.00 4.81 -0.59 0.12 114.58 119.99 2k6b h GLU 38 Ca 0.17 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.38 2k6b h GLU 38 Cb 0.26 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.43 2k6b h GLU 38 CO -0.01 0.51 0.24 1.98 -0.73 0.00 0.00 179.01 181.00 2k6b h MET 39 N 0.79 0.47 -0.06 1.92 4.05 -1.21 0.26 114.93 121.15 2k6b h MET 39 Ca 0.46 -0.03 -0.24 0.00 -0.28 0.00 0.00 59.70 59.61 2k6b h MET 39 Cb 0.52 -0.11 0.01 0.00 -0.80 0.00 0.00 31.60 31.23 2k6b h MET 39 CO -0.30 0.31 -0.92 -0.09 0.23 0.00 0.00 176.91 176.15 2k6b h ARG 40 N 0.48 0.69 -0.18 0.39 2.43 -1.48 -3.28 114.38 113.44 2k6b h ARG 40 Ca 0.18 -0.66 -0.04 0.00 -0.81 0.00 0.00 59.98 58.65 2k6b h ARG 40 Cb 0.04 0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 2k6b h ARG 40 CO -0.10 1.26 -0.05 -0.97 -1.51 0.00 0.00 179.97 178.60 2k6b h ASN 41 N 0.43 0.24 -0.81 -3.80 -1.24 -0.12 -3.22 115.58 107.06 2k6b h ASN 41 Ca -0.09 -0.04 0.10 0.00 0.71 0.00 0.00 56.30 56.99 2k6b h ASN 41 Cb 1.56 -0.06 -0.08 0.00 0.73 0.00 0.00 38.32 40.47 2k6b h ASN 41 CO 0.18 0.33 0.44 0.28 -1.29 0.00 0.00 177.43 177.38 2k6b h SER 42 N 0.26 0.60 0.13 1.15 0.02 -0.57 0.39 113.55 115.54 2k6b h SER 42 Ca 0.06 0.06 -0.26 0.00 -0.84 0.00 0.00 61.79 60.81 2k6b h SER 42 Cb 0.26 -0.05 0.02 0.00 0.14 0.00 0.00 62.40 62.77 2k6b h SER 42 CO 0.01 0.33 -1.05 0.16 -1.14 0.00 0.00 176.83 175.14 2k6b h ILE 43 N 0.72 1.32 -0.35 3.27 3.07 -1.77 -3.02 117.51 120.74 2k6b h ILE 43 Ca 0.40 -2.36 -0.05 0.00 1.55 0.00 0.00 64.86 64.40 2k6b h ILE 43 Cb 0.42 2.45 -0.01 0.00 -0.27 0.00 0.00 36.82 39.41 2k6b h ILE 43 CO -0.27 0.72 0.02 -0.07 -1.05 0.00 0.00 178.15 177.49 2k6b h LEU 44 N 0.32 0.60 -1.79 0.16 3.38 -1.36 -1.95 115.31 114.68 2k6b h LEU 44 Ca -0.12 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.52 2k6b h LEU 44 Cb 1.70 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 42.29 2k6b h LEU 44 CO 0.20 0.75 -0.13 0.00 0.09 0.00 0.00 178.44 179.34 2k6b h ALA 45 N 0.87 1.69 0.00 1.53 0.00 -0.35 0.81 119.26 123.81 2k6b h ALA 45 Ca 0.10 -0.12 -0.19 0.00 0.00 0.00 0.00 54.91 54.70 2k6b h ALA 45 Cb 0.43 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 2k6b h ALA 45 CO 0.02 0.16 -1.43 -0.56 0.00 0.00 0.00 179.25 177.44 2k6b h GLN 46 N 0.00 0.00 0.00 0.00 3.07 -1.37 -3.37 115.11 113.45 2k6b h GLN 46 Ca -0.00 0.00 -0.22 0.00 0.09 0.00 0.00 58.65 58.52 2k6b h GLN 46 Cb 0.25 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 27.77 2k6b h GLN 46 CO 0.02 0.34 -1.45 -0.39 0.09 0.00 0.00 178.83 177.43 2k6b h VAL 47 N 0.00 0.72 -3.62 1.86 -1.51 -1.06 -3.39 116.25 109.26 2k6b h VAL 47 Ca -0.18 -2.37 -0.62 0.00 -1.23 0.00 0.00 66.70 62.30 2k6b h VAL 47 Cb 1.66 2.25 -0.16 0.00 -2.13 0.00 0.00 31.29 32.91 2k6b h VAL 47 CO 0.05 0.41 -0.52 -0.76 -1.23 0.00 0.00 177.57 175.53 2k6b s LEU 48 N -6.00 4.03 0.85 4.19 1.43 0.25 0.11 118.68 123.55 2k6b s LEU 48 Ca -0.03 0.07 -0.10 0.00 -1.03 0.00 0.00 54.13 53.03 2k6b s LEU 48 Cb 0.08 -2.08 0.11 0.00 0.03 0.00 0.00 46.19 44.33 2k6b s LEU 48 CO 0.81 0.05 1.12 -0.62 0.23 0.00 0.00 176.35 177.94 2k6b s ASP 49 N 1.15 3.63 0.39 2.29 2.15 -1.18 -4.59 116.67 120.51 2k6b s ASP 49 Ca 0.07 1.97 0.18 0.00 0.43 0.00 0.00 52.55 55.19 2k6b s ASP 49 Cb -0.14 -2.52 1.09 0.00 -0.30 0.00 0.00 42.92 41.05 2k6b s ASP 49 CO 0.05 -2.61 1.75 -0.61 -0.17 0.00 0.00 175.17 173.58 2k6b h GLN 50 N -1.53 0.39 0.07 4.34 4.15 -1.90 0.46 115.11 121.08 2k6b h GLN 50 Ca -0.44 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 58.95 2k6b h GLN 50 Cb 1.25 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.86 2k6b h GLN 50 CO 0.47 0.26 -0.03 0.66 -1.93 0.00 0.00 178.83 178.25 2k6b h SER 51 N 0.40 -0.08 -0.11 -0.69 4.64 -1.92 -1.06 113.55 114.73 2k6b h SER 51 Ca 0.63 -0.32 -0.10 0.00 -0.47 0.00 0.00 61.79 61.52 2k6b h SER 51 Cb 1.55 0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 63.64 2k6b h SER 51 CO -0.35 0.29 -0.24 0.00 -0.87 0.00 0.00 176.83 175.66 2k6b h ALA 52 N 0.45 1.05 -0.44 5.18 0.00 -1.32 0.35 119.26 124.52 2k6b h ALA 52 Ca -0.01 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 2k6b h ALA 52 Cb 0.39 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2k6b h ALA 52 CO 0.02 0.58 0.22 -0.09 0.00 0.00 0.00 179.25 179.97 2k6b h ARG 53 N 0.48 0.63 -0.40 0.00 9.65 -0.10 0.11 114.38 124.75 2k6b h ARG 53 Ca 0.07 -0.09 -0.04 0.00 -1.10 0.00 0.00 59.98 58.82 2k6b h ARG 53 Cb 0.68 -0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 29.13 2k6b h ARG 53 CO 0.05 0.54 0.09 0.00 2.80 0.00 0.00 179.97 183.45 2k6b h ALA 54 N 1.06 0.53 -0.59 2.80 0.00 -0.86 -2.79 119.26 119.41 2k6b h ALA 54 Ca 0.15 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.88 2k6b h ALA 54 Cb 0.11 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 2k6b h ALA 54 CO -0.02 0.22 0.39 -0.09 0.00 0.00 0.00 179.25 179.75 2k6b h ARG 55 N 0.51 0.72 -0.71 0.00 9.65 -0.52 -1.16 114.38 122.88 2k6b h ARG 55 Ca 0.13 -0.04 -0.04 0.00 -1.10 0.00 0.00 59.98 58.92 2k6b h ARG 55 Cb 0.33 -0.16 -0.03 0.00 -1.39 0.00 0.00 29.97 28.72 2k6b h ARG 55 CO 0.00 0.48 0.28 1.25 2.80 0.00 0.00 179.97 184.78 2k6b h LEU 56 N 0.74 0.97 -1.00 3.80 5.85 -0.54 -1.75 115.31 123.39 2k6b h LEU 56 Ca 0.23 -0.17 -0.07 0.00 0.84 0.00 0.00 57.88 58.71 2k6b h LEU 56 Cb 0.01 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.77 2k6b h LEU 56 CO -0.06 0.88 -0.06 -1.28 -0.34 0.00 0.00 178.44 177.58 2k6b h SER 57 N 1.01 0.63 -0.08 1.25 0.87 -1.04 0.79 113.55 116.98 2k6b h SER 57 Ca 0.24 -0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 2k6b h SER 57 Cb 0.21 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 62.00 2k6b h SER 57 CO -0.02 0.74 0.05 0.78 -0.53 0.00 0.00 176.83 177.85 2k6b h ASN 58 N 0.61 0.10 -0.01 6.23 4.21 -0.71 -2.95 115.58 123.05 2k6b h ASN 58 Ca 0.12 -0.02 -0.18 0.00 1.21 0.00 0.00 56.30 57.42 2k6b h ASN 58 Cb 0.47 -0.02 -0.00 0.00 -1.12 0.00 0.00 38.32 37.64 2k6b h ASN 58 CO 0.02 0.09 -0.61 0.17 -1.29 0.00 0.00 177.43 175.81 2k6b h LEU 59 N 0.09 0.70 -2.04 1.61 8.10 -1.06 -3.11 115.31 119.60 2k6b h LEU 59 Ca 0.03 -0.40 0.12 0.00 0.11 0.00 0.00 57.88 57.74 2k6b h LEU 59 Cb 0.01 -0.20 -0.02 0.00 -0.44 0.00 0.00 40.66 40.01 2k6b h LEU 59 CO -0.01 1.14 0.35 0.00 -4.11 0.00 0.00 178.44 175.82 2k6b h ALA 60 N 0.86 2.26 0.00 0.17 0.00 -0.74 0.41 119.26 122.23 2k6b h ALA 60 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2k6b h ALA 60 Cb 1.18 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2k6b h ALA 60 CO 0.12 -0.57 -0.82 1.28 0.00 0.00 0.00 179.25 179.26 2k6b n LEU 61 N -4.11 0.63 -0.01 0.00 4.77 -1.13 -3.87 117.00 113.28 2k6b n LEU 61 Ca 0.07 0.02 -0.00 0.00 -0.03 0.00 0.00 56.01 56.07 2k6b n LEU 61 Cb 0.54 -0.15 -0.04 0.00 -2.33 0.00 0.00 43.42 41.45 2k6b n LEU 61 CO 0.33 0.05 -0.61 1.33 -1.33 0.00 0.00 177.39 177.15 2k6b n VAL 62 N -1.88 0.19 -3.15 4.08 0.24 -0.18 -4.85 118.33 112.78 2k6b n VAL 62 Ca 0.03 -0.16 -0.21 0.00 -2.04 0.00 0.00 64.34 61.96 2k6b n VAL 62 Cb 0.41 -0.38 -0.05 0.00 -1.47 0.00 0.00 33.84 32.35 2k6b n VAL 62 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 2k6b n LYS 63 N -1.97 0.55 0.24 7.34 2.85 0.13 -5.00 118.16 122.30 2k6b n LYS 63 Ca -0.05 -2.89 0.12 0.00 -1.05 0.00 0.00 58.31 54.43 2k6b n LYS 63 Cb 0.44 -1.40 0.55 0.00 -0.65 0.00 0.00 35.03 33.97 2k6b n LYS 63 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 177.40 176.00 2k6b h PRO 64 N 4.55 0.00 -0.06 -1.58 0.11 -1.72 -1.70 132.00 131.60 2k6b h PRO 64 Ca 0.09 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 66.02 2k6b h PRO 64 Cb 0.93 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.03 2k6b h PRO 64 CO 0.38 0.18 -0.77 0.93 -0.21 0.00 0.00 178.00 178.50 2k6b h GLU 65 N 0.00 0.37 0.00 1.05 3.07 -1.94 -2.31 114.58 114.83 2k6b h GLU 65 Ca -0.00 -0.32 -0.17 0.00 -0.50 0.00 0.00 59.36 58.37 2k6b h GLU 65 Cb 0.63 0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.59 2k6b h GLU 65 CO 0.02 0.97 -0.81 0.87 -1.40 0.00 0.00 179.01 178.67 2k6b h LYS 66 N 0.24 0.00 -0.61 2.33 1.79 -1.88 -3.15 116.57 115.30 2k6b h LYS 66 Ca -0.04 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 2k6b h LYS 66 Cb 1.35 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.98 2k6b h LYS 66 CO 0.13 0.81 0.38 1.15 -1.08 0.00 0.00 179.45 180.84 2k6b h THR 67 N 0.00 1.17 -0.85 -0.16 2.02 -1.02 -0.95 112.91 113.12 2k6b h THR 67 Ca -0.01 -0.34 0.06 0.00 0.77 0.00 0.00 66.41 66.89 2k6b h THR 67 Cb 1.54 0.31 -0.06 0.00 -1.74 0.00 0.00 68.15 68.20 2k6b h THR 67 CO 0.11 0.17 0.53 0.50 0.37 0.00 0.00 175.52 177.19 2k6b h LYS 68 N 0.82 0.95 -0.18 6.66 3.64 -1.38 0.10 116.57 127.18 2k6b h LYS 68 Ca 0.22 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.50 2k6b h LYS 68 Cb -0.06 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.55 2k6b h LYS 68 CO -0.04 0.63 -0.06 0.00 -2.27 0.00 0.00 179.45 177.70 2k6b h ALA 69 N 1.40 0.24 -0.38 5.00 0.00 -1.39 -0.97 119.26 123.16 2k6b h ALA 69 Ca 0.37 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 2k6b h ALA 69 Cb 0.15 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2k6b h ALA 69 CO -0.17 0.03 -0.06 -0.39 0.00 0.00 0.00 179.25 178.67 2k6b h VAL 70 N 0.05 1.27 -0.22 0.00 -1.51 -0.74 0.29 116.25 115.39 2k6b h VAL 70 Ca 0.04 -1.10 0.01 0.00 -1.23 0.00 0.00 66.70 64.42 2k6b h VAL 70 Cb 0.52 1.22 -0.02 0.00 -2.13 0.00 0.00 31.29 30.88 2k6b h VAL 70 CO 0.02 0.37 0.12 -0.33 -1.23 0.00 0.00 177.57 176.51 2k6b h GLU 71 N 0.51 0.24 -0.68 5.19 5.08 -0.81 -0.82 114.58 123.29 2k6b h GLU 71 Ca 0.10 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.48 2k6b h GLU 71 Cb 0.55 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.70 2k6b h GLU 71 CO 0.03 0.16 0.41 -0.97 -1.00 0.00 0.00 179.01 177.64 2k6b h ASN 72 N 0.25 0.66 -0.83 1.42 -0.73 -1.04 -0.05 115.58 115.25 2k6b h ASN 72 Ca 0.09 0.01 -0.03 0.00 1.87 0.00 0.00 56.30 58.23 2k6b h ASN 72 Cb 0.01 -0.13 -0.04 0.00 0.27 0.00 0.00 38.32 38.43 2k6b h ASN 72 CO -0.06 0.45 0.39 0.22 -0.37 0.00 0.00 177.43 178.07 2k6b h TYR 73 N 0.80 1.20 -0.52 0.67 3.20 -0.36 -0.13 116.97 121.83 2k6b h TYR 73 Ca 0.28 -0.06 -0.08 0.00 3.14 0.00 0.00 58.73 62.01 2k6b h TYR 73 Cb 0.06 -0.37 -0.02 0.00 1.54 0.00 0.00 36.73 37.94 2k6b h TYR 73 CO -0.05 0.88 0.03 -0.07 -1.64 0.00 0.00 178.16 177.30 2k6b h LEU 74 N 1.18 0.88 -0.52 2.82 -0.00 -0.46 0.21 115.31 119.42 2k6b h LEU 74 Ca 0.28 -0.29 0.07 0.00 -0.00 0.00 0.00 57.88 57.94 2k6b h LEU 74 Cb 0.13 -0.23 -0.06 0.00 -0.00 0.00 0.00 40.66 40.50 2k6b h LEU 74 CO -0.03 0.95 0.22 0.40 -0.00 0.00 0.00 178.44 179.97 2k6b h ILE 75 N 0.77 0.86 -0.01 1.22 2.04 -0.35 0.83 117.51 122.87 2k6b h ILE 75 Ca 0.15 -0.14 -0.14 0.00 1.00 0.00 0.00 64.86 65.73 2k6b h ILE 75 Cb 0.48 0.41 0.01 0.00 -0.74 0.00 0.00 36.82 36.98 2k6b h ILE 75 CO 0.02 0.08 -0.54 0.06 0.00 0.00 0.00 178.15 177.77 2k6b h GLN 76 N 0.41 0.39 -0.34 2.37 3.07 -0.93 -3.25 115.11 116.83 2k6b h GLN 76 Ca 0.25 -0.40 -0.10 0.00 0.09 0.00 0.00 58.65 58.48 2k6b h GLN 76 Cb 0.24 0.11 -0.01 0.00 0.08 0.00 0.00 27.48 27.89 2k6b h GLN 76 CO -0.23 1.07 -0.22 1.98 0.09 0.00 0.00 178.83 181.52 2k6b h MET 77 N -0.13 0.66 -0.11 0.06 4.05 -0.38 -2.47 114.93 116.60 2k6b h MET 77 Ca -0.06 -0.25 -0.05 0.00 -0.28 0.00 0.00 59.70 59.05 2k6b h MET 77 Cb 1.25 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 32.00 2k6b h MET 77 CO 0.11 0.83 -0.18 0.00 0.23 0.00 0.00 176.91 177.89 2k6b h ALA 78 N 1.18 1.50 0.00 0.39 0.00 -0.96 -2.50 119.26 118.87 2k6b h ALA 78 Ca 0.08 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2k6b h ALA 78 Cb 0.69 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2k6b h ALA 78 CO 0.05 0.36 0.00 -0.09 0.00 0.00 0.00 179.25 179.57 2k6b h ARG 79 N 0.17 0.00 -0.00 0.00 1.12 -1.47 0.42 114.38 114.61 2k6b h ARG 79 Ca 0.03 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.90 2k6b h ARG 79 Cb 0.42 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.38 2k6b h ARG 79 CO 0.03 0.00 -0.08 0.66 -3.11 0.00 0.00 179.97 177.46 2k6b n TYR 80 N -2.93 0.00 -1.00 2.20 4.01 -0.94 -4.90 117.16 113.60 2k6b n TYR 80 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 2k6b n TYR 80 Cb 0.14 -0.15 0.00 0.00 -0.31 0.00 0.00 39.34 39.02 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 1.24 0.81 0.00 2.72 0.00 0.14 -4.86 105.19 105.23 2k6b n GLY 81 Ca 0.16 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.31 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 -2.35 0.04 -3.80 1.61 10.64 -1.26 -4.36 117.38 117.90 2k6b n GLN 82 Ca 0.00 0.03 -0.36 0.00 -1.83 0.00 0.00 57.00 54.84 2k6b n GLN 82 Cb 0.00 -1.50 -0.12 0.00 -0.86 0.00 0.00 30.24 27.76 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 -2.96 4.97 -0.02 2.61 2.01 -1.26 -4.73 118.68 119.30 2k6b s LEU 83 Ca 0.15 -1.86 0.03 0.00 0.01 0.00 0.00 54.13 52.46 2k6b s LEU 83 Cb 0.18 -1.81 0.05 0.00 0.01 0.00 0.00 46.19 44.63 2k6b s LEU 83 CO 0.49 -0.48 0.88 -1.20 1.01 0.00 0.00 176.35 177.05 2k6b n SER 84 N 4.60 0.73 -4.31 2.29 7.64 -1.26 -4.94 113.62 118.37 2k6b n SER 84 Ca -0.04 -1.90 -0.16 0.00 1.01 0.00 0.00 58.87 57.77 2k6b n SER 84 Cb 0.42 -0.15 -0.10 0.00 -1.01 0.00 0.00 64.21 63.36 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 -0.68 1.24 0.16 1.43 2.56 -1.26 -5.08 118.70 117.07 2k6b s GLU 85 Ca 0.06 -1.59 -0.20 0.00 0.00 0.00 0.00 54.97 53.24 2k6b s GLU 85 Cb 0.05 -0.69 -0.08 0.00 2.00 0.00 0.00 34.13 35.41 2k6b s GLU 85 CO 0.01 0.00 0.68 0.15 -0.56 0.00 0.00 175.26 175.53 2k6b s LYS 86 N -3.79 4.28 0.25 4.30 -0.14 -1.26 -4.52 119.74 118.86 2k6b s LYS 86 Ca 0.23 0.86 -0.10 0.00 -1.36 0.00 0.00 55.97 55.60 2k6b s LYS 86 Cb 0.04 -3.07 -0.07 0.00 -1.68 0.00 0.00 37.83 33.05 2k6b s LYS 86 CO 0.06 0.51 0.59 0.54 -0.76 0.00 0.00 175.35 176.28 2k6b s VAL 87 N -1.32 4.89 0.55 3.17 0.11 0.12 -4.83 120.40 123.08 2k6b s VAL 87 Ca 0.37 0.53 -0.05 0.00 -2.93 0.00 0.00 61.98 59.90 2k6b s VAL 87 Cb -0.19 -3.63 -0.00 0.00 -1.53 0.00 0.00 36.38 31.03 2k6b s VAL 87 CO 0.21 -0.12 0.84 -0.44 -3.33 0.00 0.00 175.10 172.27 2k6b s SER 88 N -2.42 5.78 0.17 3.54 0.01 -1.26 -3.09 113.70 116.44 2k6b s SER 88 Ca 0.48 0.71 -0.14 0.00 1.31 0.00 0.00 55.95 58.32 2k6b s SER 88 Cb -0.11 -1.82 0.09 0.00 0.21 0.00 0.00 66.02 64.40 2k6b s SER 88 CO 0.21 -0.90 1.81 -0.33 0.41 0.00 0.00 173.24 174.44 2k6b h GLU 89 N -0.01 0.57 0.00 12.44 5.08 -1.94 -0.46 114.58 130.25 2k6b h GLU 89 Ca -0.46 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 2k6b h GLU 89 Cb 1.24 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.37 2k6b h GLU 89 CO 0.60 0.37 0.00 1.96 -1.00 0.00 0.00 179.01 180.95 2k6b h GLN 90 N 0.58 0.00 0.16 2.33 7.50 -1.97 0.15 115.11 123.86 2k6b h GLN 90 Ca 0.20 0.00 -0.31 0.00 0.50 0.00 0.00 58.65 59.04 2k6b h GLN 90 Cb 0.03 0.00 0.03 0.00 0.05 0.00 0.00 27.48 27.59 2k6b h GLN 90 CO -0.10 0.00 -1.32 0.78 -1.50 0.00 0.00 178.83 176.70 2k6b h GLY 91 N 1.85 0.61 1.13 3.46 0.00 -1.51 -1.71 103.07 106.89 2k6b h GLY 91 Ca 0.00 -1.40 -0.16 0.00 0.00 0.00 0.00 47.33 45.77 2k6b h GLY 91 CO 0.00 1.23 -0.41 -2.00 0.00 0.00 0.00 176.54 175.35 2k6b h LEU 92 N 0.20 1.00 -1.34 3.11 5.85 -0.34 -2.86 115.31 120.93 2k6b h LEU 92 Ca -0.20 -0.48 -0.04 0.00 0.84 0.00 0.00 57.88 58.00 2k6b h LEU 92 Cb 2.00 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 42.73 2k6b h LEU 92 CO 0.24 1.28 0.04 0.40 -0.34 0.00 0.00 178.44 180.06 2k6b h ILE 93 N 0.74 1.17 -0.49 4.05 2.04 -0.79 0.27 117.51 124.51 2k6b h ILE 93 Ca 0.05 -0.64 -0.04 0.00 1.00 0.00 0.00 64.86 65.23 2k6b h ILE 93 Cb 1.01 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 37.95 2k6b h ILE 93 CO 0.10 0.23 0.15 -0.08 0.00 0.00 0.00 178.15 178.54 2k6b h GLU 94 N 0.48 0.72 -0.16 2.37 4.57 -1.09 -1.13 114.58 120.34 2k6b h GLU 94 Ca 0.11 -0.12 -0.07 0.00 -1.18 0.00 0.00 59.36 58.09 2k6b h GLU 94 Cb 0.24 -0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 28.71 2k6b h GLU 94 CO 0.00 0.63 -0.19 0.82 -1.18 0.00 0.00 179.01 179.09 2k6b h ILE 95 N 0.70 1.35 -0.39 2.32 2.04 -1.08 -3.14 117.51 119.32 2k6b h ILE 95 Ca 0.16 -1.38 0.08 0.00 1.00 0.00 0.00 64.86 64.72 2k6b h ILE 95 Cb 0.22 1.88 -0.02 0.00 -0.74 0.00 0.00 36.82 38.16 2k6b h ILE 95 CO -0.01 0.41 0.27 0.25 0.00 0.00 0.00 178.15 179.07 2k6b h LEU 96 N 0.04 0.15 0.30 1.44 5.85 -0.28 -0.78 115.31 122.02 2k6b h LEU 96 Ca 0.02 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 2k6b h LEU 96 Cb 0.74 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.74 2k6b h LEU 96 CO 0.05 0.10 -0.14 0.11 -0.34 0.00 0.00 178.44 178.21 2k6b h LYS 97 N 0.17 -0.38 -0.24 1.25 1.57 -1.18 -3.28 116.57 114.49 2k6b h LYS 97 Ca 0.18 0.03 -0.12 0.00 -1.87 0.00 0.00 60.65 58.87 2k6b h LYS 97 Cb 0.48 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 2k6b h LYS 97 CO -0.03 -0.09 -0.35 1.57 -0.57 0.00 0.00 179.45 179.98 2k6b h LYS 98 N -0.66 0.51 0.00 3.15 2.10 -1.35 -2.81 116.57 117.51 2k6b h LYS 98 Ca -0.04 -0.23 0.00 0.00 -2.00 0.00 0.00 60.65 58.38 2k6b h LYS 98 Cb 0.46 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.78 2k6b h LYS 98 CO 0.07 0.79 0.00 1.33 -2.00 0.00 0.00 179.45 179.64 2k6b n VAL 99 N -4.06 1.13 0.02 0.07 0.24 -0.38 -0.86 118.33 114.49 2k6b n VAL 99 Ca -0.01 0.60 -0.12 0.00 -2.04 0.00 0.00 64.34 62.78 2k6b n VAL 99 Cb 0.47 -1.58 -0.06 0.00 -1.47 0.00 0.00 33.84 31.20 2k6b n VAL 99 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 2k6b h SER 100 N 0.00 0.06 0.00 -1.34 0.02 -1.55 -3.41 113.55 107.33 2k6b h SER 100 Ca 0.00 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 2k6b h SER 100 Cb 0.07 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.60 2k6b h SER 100 CO 0.00 0.07 0.00 0.00 -1.14 0.00 0.00 176.83 175.76 2k6b n GLN 101 N -5.04 0.00 -3.71 3.45 3.00 -0.46 -4.96 117.38 109.66 2k6b n GLN 101 Ca -0.06 0.00 -0.38 0.00 -0.01 0.00 0.00 57.00 56.55 2k6b n GLN 101 Cb 0.04 -0.18 -0.11 0.00 0.00 0.00 0.00 30.24 29.99 2k6b n GLN 101 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 2k6b s GLN 102 N -0.51 2.26 0.26 -1.09 1.11 -0.04 -4.95 119.66 116.69 2k6b s GLN 102 Ca 0.00 -1.68 -0.09 0.00 0.01 0.00 0.00 55.36 53.60 2k6b s GLN 102 Cb 0.00 -3.65 0.41 0.00 -1.01 0.00 0.00 33.01 28.76 2k6b s GLN 102 CO 0.00 -1.03 1.59 1.15 0.01 0.00 0.00 175.29 177.01 2k6b h THR 103 N 6.27 0.14 -0.68 -0.19 2.02 -1.77 -3.34 112.91 115.35 2k6b h THR 103 Ca -0.17 -0.00 0.21 0.00 0.77 0.00 0.00 66.41 67.22 2k6b h THR 103 Cb 1.06 0.13 -0.28 0.00 -1.74 0.00 0.00 68.15 67.31 2k6b h THR 103 CO 0.72 0.00 0.53 -0.70 0.37 0.00 0.00 175.52 176.44 2k6b s GLU 104 N -6.22 0.12 0.00 6.66 2.56 -1.26 -4.47 118.70 116.08 2k6b s GLU 104 Ca -0.15 0.26 0.00 0.00 0.00 0.00 0.00 54.97 55.08 2k6b s GLU 104 Cb 0.24 0.11 0.00 0.00 2.00 0.00 0.00 34.13 36.49 2k6b s GLU 104 CO 0.76 -0.03 0.00 1.63 -0.56 0.00 0.00 175.26 177.06 2k6b n LYS 105 N 4.13 0.00 -4.36 4.30 4.76 -1.26 -5.13 118.16 120.60 2k6b n LYS 105 Ca -0.11 0.00 -0.18 0.00 -2.87 0.00 0.00 58.31 55.15 2k6b n LYS 105 Cb 0.55 -0.04 -0.10 0.00 -1.84 0.00 0.00 35.03 33.60 2k6b n LYS 105 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 2k6b s THR 106 N 0.00 0.97 -0.37 -0.18 -1.32 -1.26 -5.09 115.64 108.39 2k6b s THR 106 Ca 0.00 -2.02 0.03 0.00 -1.21 0.00 0.00 61.69 58.49 2k6b s THR 106 Cb 0.00 -2.54 0.15 0.00 -1.51 0.00 0.00 72.50 68.61 2k6b s THR 106 CO 0.00 -0.16 0.35 -0.89 -2.21 0.00 0.00 174.62 171.71 2k6b s THR 107 N -3.46 -0.24 -0.07 5.08 2.01 -1.26 -5.11 115.64 112.60 2k6b s THR 107 Ca 0.33 -1.16 -0.32 0.00 0.31 0.00 0.00 61.69 60.85 2k6b s THR 107 Cb 0.07 -0.75 -0.10 0.00 0.01 0.00 0.00 72.50 71.74 2k6b s THR 107 CO 0.12 -0.67 1.99 0.41 -0.69 0.00 0.00 174.62 175.78 2k6b n THR 108 N 4.15 0.61 0.09 -0.82 -1.04 -1.26 -4.85 114.28 111.17 2k6b n THR 108 Ca 0.12 -0.18 -0.05 0.00 -2.04 0.00 0.00 64.05 61.90 2k6b n THR 108 Cb 0.44 -2.17 0.10 0.00 -1.82 0.00 0.00 70.33 66.88 2k6b n THR 108 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 2k6b h VAL 109 N 5.88 1.42 -1.42 12.58 2.07 -2.02 -3.49 116.25 131.27 2k6b h VAL 109 Ca -0.47 -2.14 0.00 0.00 0.82 0.00 0.00 66.70 64.92 2k6b h VAL 109 Cb 1.26 2.12 0.00 0.00 -1.52 0.00 0.00 31.29 33.14 2k6b h VAL 109 CO 0.95 0.62 -0.33 0.29 0.02 0.00 0.00 177.57 179.12 2k6b n LYS 110 N -3.82 -1.80 0.07 1.57 4.76 -1.26 -4.89 118.16 112.80 2k6b n LYS 110 Ca -0.02 1.31 0.11 0.00 -2.87 0.00 0.00 58.31 56.84 2k6b n LYS 110 Cb 0.65 -1.44 0.03 0.00 -1.84 0.00 0.00 35.03 32.43 2k6b n LYS 110 CO 0.00 0.00 0.00 1.97 -1.37 0.00 0.00 177.40 178.00 2k6b n PHE 111 N -0.30 0.64 -1.43 2.13 1.16 -1.26 -5.32 117.46 113.08 2k6b n PHE 111 Ca 0.00 0.19 0.00 0.00 -1.87 0.00 0.00 57.45 55.77 2k6b n PHE 111 Cb 0.00 -0.74 0.00 0.00 -1.61 0.00 0.00 39.48 37.13 2k6b n PHE 111 CO 0.00 0.00 0.00 -1.71 -1.87 0.00 0.00 176.76 173.18