#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 6.79 0.28 1.61 0.01 -1.26 -4.96 113.70 116.17 2k6b s SER 1 Ca 0.00 0.95 -0.00 0.00 1.31 0.00 0.00 55.95 58.20 2k6b s SER 1 Cb 0.00 -2.35 0.48 0.00 0.21 0.00 0.00 66.02 64.37 2k6b s SER 1 CO 0.00 -0.11 1.87 0.00 0.41 0.00 0.00 173.24 175.41 2k6b h ALA 2 N 6.93 1.47 -0.32 1.44 0.00 -2.05 0.18 119.26 126.91 2k6b h ALA 2 Ca -0.39 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 2k6b h ALA 2 Cb 1.18 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 2k6b h ALA 2 CO 0.76 0.35 0.20 0.22 0.00 0.00 0.00 179.25 180.78 2k6b h ASP 3 N 1.09 0.38 -0.03 0.00 3.58 -1.99 0.12 116.42 119.57 2k6b h ASP 3 Ca 0.45 -0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.86 2k6b h ASP 3 Cb 0.30 -0.10 -0.00 0.00 1.72 0.00 0.00 39.33 41.25 2k6b h ASP 3 CO -0.20 0.31 -0.01 -0.08 -2.88 0.00 0.00 179.24 176.38 2k6b h GLU 4 N 0.42 0.07 -0.67 0.28 4.22 -1.67 -2.19 114.58 115.04 2k6b h GLU 4 Ca 0.12 -0.02 0.05 0.00 0.08 0.00 0.00 59.36 59.58 2k6b h GLU 4 Cb -0.01 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.20 2k6b h GLU 4 CO -0.02 0.40 0.44 0.93 -2.18 0.00 0.00 179.01 178.58 2k6b h GLU 5 N -0.27 0.71 -0.24 1.92 5.08 -0.59 0.23 114.58 121.41 2k6b h GLU 5 Ca 0.01 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 2k6b h GLU 5 Cb 0.37 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 2k6b h GLU 5 CO 0.00 0.47 0.02 1.25 -1.00 0.00 0.00 179.01 179.75 2k6b h LEU 6 N 0.73 0.40 -0.57 1.33 7.12 -0.75 0.82 115.31 124.38 2k6b h LEU 6 Ca 0.28 -0.29 -0.15 0.00 0.13 0.00 0.00 57.88 57.85 2k6b h LEU 6 Cb 0.19 -0.11 -0.01 0.00 -0.53 0.00 0.00 40.66 40.20 2k6b h LEU 6 CO -0.09 0.59 -0.55 -0.08 -0.13 0.00 0.00 178.44 178.18 2k6b h GLU 7 N 0.20 0.47 -0.72 1.25 4.81 -0.70 -1.46 114.58 118.43 2k6b h GLU 7 Ca 0.07 -0.30 -0.04 0.00 -0.13 0.00 0.00 59.36 58.96 2k6b h GLU 7 Cb 0.38 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.76 2k6b h GLU 7 CO 0.01 0.90 0.28 0.00 -0.73 0.00 0.00 179.01 179.47 2k6b h ALA 8 N 1.04 1.14 -0.32 2.92 0.00 -0.40 0.18 119.26 123.81 2k6b h ALA 8 Ca 0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2k6b h ALA 8 Cb 1.08 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 2k6b h ALA 8 CO 0.10 0.62 0.16 1.25 0.00 0.00 0.00 179.25 181.38 2k6b h LEU 9 N 1.05 0.41 -0.55 0.00 6.46 -0.56 -0.56 115.31 121.56 2k6b h LEU 9 Ca 0.24 -0.11 -0.00 0.00 -0.12 0.00 0.00 57.88 57.89 2k6b h LEU 9 Cb 0.21 -0.10 -0.03 0.00 -0.73 0.00 0.00 40.66 40.01 2k6b h LEU 9 CO -0.02 0.40 0.34 -0.09 -0.62 0.00 0.00 178.44 178.45 2k6b h ARG 10 N 0.39 0.75 -0.76 1.25 2.43 -0.62 0.32 114.38 118.13 2k6b h ARG 10 Ca 0.11 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.21 2k6b h ARG 10 Cb 0.09 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 29.45 2k6b h ARG 10 CO -0.02 0.53 0.46 0.00 -1.51 0.00 0.00 179.97 179.44 2k6b h ARG 11 N 0.75 1.02 0.02 0.20 3.08 -0.38 0.17 114.38 119.24 2k6b h ARG 11 Ca 0.20 -0.09 -0.00 0.00 0.07 0.00 0.00 59.98 60.16 2k6b h ARG 11 Cb -0.03 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 29.81 2k6b h ARG 11 CO -0.04 0.72 -0.01 0.37 -1.07 0.00 0.00 179.97 179.94 2k6b h GLN 12 N 1.03 -0.02 -0.93 0.04 4.15 -0.69 -0.61 115.11 118.08 2k6b h GLN 12 Ca 0.27 0.00 0.05 0.00 0.77 0.00 0.00 58.65 59.74 2k6b h GLN 12 Cb -0.04 0.01 -0.06 0.00 0.21 0.00 0.00 27.48 27.59 2k6b h GLN 12 CO -0.05 0.17 0.60 0.00 -1.93 0.00 0.00 178.83 177.62 2k6b h ARG 13 N -0.21 1.09 -0.48 1.69 2.47 -0.56 0.02 114.38 118.40 2k6b h ARG 13 Ca -0.00 -0.07 -0.03 0.00 -1.26 0.00 0.00 59.98 58.62 2k6b h ARG 13 Cb 0.20 -0.25 -0.02 0.00 -1.65 0.00 0.00 29.97 28.26 2k6b h ARG 13 CO 0.00 0.72 0.16 1.25 0.56 0.00 0.00 179.97 182.67 2k6b h LEU 14 N 1.13 0.68 -0.55 3.04 7.12 -0.53 -2.12 115.31 124.07 2k6b h LEU 14 Ca 0.39 -0.19 -0.08 0.00 0.13 0.00 0.00 57.88 58.13 2k6b h LEU 14 Cb 0.08 -0.18 -0.02 0.00 -0.53 0.00 0.00 40.66 40.02 2k6b h LEU 14 CO -0.15 0.69 0.04 0.00 -0.13 0.00 0.00 178.44 178.90 2k6b h ALA 15 N 1.01 0.74 -0.60 1.25 0.00 -0.15 -2.58 119.26 118.93 2k6b h ALA 15 Ca 0.16 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 2k6b h ALA 15 Cb 0.24 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2k6b h ALA 15 CO -0.01 0.53 0.29 0.93 0.00 0.00 0.00 179.25 180.99 2k6b h GLU 16 N 0.83 0.87 -0.63 0.00 5.08 -0.88 -0.61 114.58 119.24 2k6b h GLU 16 Ca 0.16 -0.13 0.02 0.00 -1.00 0.00 0.00 59.36 58.42 2k6b h GLU 16 Cb 0.48 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 2k6b h GLU 16 CO 0.02 0.70 0.42 1.25 -1.00 0.00 0.00 179.01 180.39 2k6b h LEU 17 N 0.82 0.67 -2.24 1.33 7.12 -1.20 -0.88 115.31 120.92 2k6b h LEU 17 Ca 0.21 -0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.21 2k6b h LEU 17 Cb 0.11 -0.16 0.00 0.00 -0.53 0.00 0.00 40.66 40.08 2k6b h LEU 17 CO -0.03 0.47 0.00 0.00 -0.13 0.00 0.00 178.44 178.75 2k6b n GLN 18 N -4.46 2.44 -1.17 1.25 6.02 -0.89 -5.06 117.38 115.52 2k6b n GLN 18 Ca 0.07 -2.20 0.15 0.00 -0.01 0.00 0.00 57.00 55.01 2k6b n GLN 18 Cb 0.10 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 29.81 2k6b n GLN 18 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2k6b n ALA 19 N 1.34 -3.03 -2.63 -1.58 0.00 -0.29 -5.01 120.51 109.31 2k6b n ALA 19 Ca 0.20 0.49 -0.29 0.00 0.00 0.00 0.00 53.44 53.85 2k6b n ALA 19 Cb 0.55 -1.12 -0.09 0.00 0.00 0.00 0.00 19.45 18.79 2k6b n ALA 19 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2k6b s LYS 20 N -2.64 1.99 -0.49 0.00 -0.14 -1.26 -4.70 119.74 112.49 2k6b s LYS 20 Ca 0.00 -2.19 0.05 0.00 -1.36 0.00 0.00 55.97 52.47 2k6b s LYS 20 Cb 0.00 -1.35 0.20 0.00 -1.68 0.00 0.00 37.83 35.00 2k6b s LYS 20 CO 0.00 -0.24 0.47 1.58 -0.76 0.00 0.00 175.35 176.40 2k6b n HIS 21 N -1.03 0.62 -1.81 3.18 -0.00 -1.26 -4.79 115.22 110.13 2k6b n HIS 21 Ca -0.10 -3.68 0.03 0.00 0.46 0.00 0.00 57.72 54.43 2k6b n HIS 21 Cb 0.67 -0.17 0.04 0.00 -0.12 0.00 0.00 29.99 30.40 2k6b n HIS 21 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2k6b n GLY 22 N 2.04 1.71 3.96 1.57 0.00 -1.26 -5.08 105.19 108.12 2k6b n GLY 22 Ca 0.26 -0.37 -0.22 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.59 5.68 -0.27 1.61 -4.77 -1.26 -5.00 116.67 111.07 2k6b s ASP 23 Ca 0.11 0.16 -0.00 0.00 -3.30 0.00 0.00 52.55 49.52 2k6b s ASP 23 Cb 0.11 -1.31 0.21 0.00 -1.09 0.00 0.00 42.92 40.83 2k6b s ASP 23 CO -0.01 -0.82 1.93 -0.81 0.70 0.00 0.00 175.17 176.16 2k6b n PRO 24 N -2.13 1.69 -0.85 2.11 -0.05 -1.26 -4.76 135.00 129.75 2k6b n PRO 24 Ca 0.03 -1.39 -0.30 0.00 -0.05 0.00 0.00 63.50 61.80 2k6b n PRO 24 Cb 0.58 -1.54 0.26 0.00 -0.05 0.00 0.00 33.50 32.75 2k6b n PRO 24 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 175.50 175.65 2k6b s GLY 25 N 0.32 1.53 0.21 0.55 0.00 -1.26 -4.72 107.32 103.95 2k6b s GLY 25 Ca 0.27 -0.91 -0.09 0.00 0.00 0.00 0.00 44.72 43.98 2k6b s GLY 25 CO 0.00 0.02 1.71 -1.80 0.00 0.00 0.00 173.10 173.03 2k6b h ASP 26 N -2.87 0.04 -0.42 1.64 3.58 -2.00 -1.08 116.42 115.32 2k6b h ASP 26 Ca -0.44 0.11 -0.06 0.00 0.42 0.00 0.00 57.03 57.05 2k6b h ASP 26 Cb 1.31 0.14 -0.02 0.00 1.72 0.00 0.00 39.33 42.47 2k6b h ASP 26 CO 0.32 0.03 0.05 0.00 -2.88 0.00 0.00 179.24 176.75 2k6b h ALA 27 N 1.48 1.17 -0.32 -0.78 0.00 -1.96 -1.26 119.26 117.58 2k6b h ALA 27 Ca 0.32 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 2k6b h ALA 27 Cb 0.47 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2k6b h ALA 27 CO -0.39 0.55 -0.11 0.00 0.00 0.00 0.00 179.25 179.29 2k6b h ALA 28 N 1.31 1.22 -0.05 0.00 0.00 -1.51 0.18 119.26 120.41 2k6b h ALA 28 Ca 0.15 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 2k6b h ALA 28 Cb 0.38 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2k6b h ALA 28 CO 0.01 0.51 -0.18 1.96 0.00 0.00 0.00 179.25 181.54 2k6b h GLN 29 N 0.50 0.21 -0.59 0.00 1.08 -1.06 -2.63 115.11 112.62 2k6b h GLN 29 Ca 0.09 -0.16 -0.03 0.00 -1.45 0.00 0.00 58.65 57.10 2k6b h GLN 29 Cb 0.49 0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.93 2k6b h GLN 29 CO 0.03 0.80 0.26 0.37 -0.95 0.00 0.00 178.83 179.34 2k6b h GLN 30 N -0.33 0.86 -0.67 1.46 5.75 -0.92 -2.29 115.11 118.97 2k6b h GLN 30 Ca -0.01 -0.14 -0.06 0.00 -0.15 0.00 0.00 58.65 58.30 2k6b h GLN 30 Cb 0.82 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 29.19 2k6b h GLN 30 CO 0.04 0.71 0.19 0.93 -2.65 0.00 0.00 178.83 178.05 2k6b h GLU 31 N 0.80 1.04 -0.63 1.69 4.39 -0.72 -0.83 114.58 120.31 2k6b h GLU 31 Ca 0.20 -0.22 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 2k6b h GLU 31 Cb 0.15 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 28.62 2k6b h GLU 31 CO -0.02 0.90 0.35 0.00 -1.16 0.00 0.00 179.01 179.08 2k6b h ALA 32 N 1.21 0.81 -0.68 3.43 0.00 -1.10 0.20 119.26 123.13 2k6b h ALA 32 Ca 0.22 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 2k6b h ALA 32 Cb 0.31 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2k6b h ALA 32 CO -0.00 0.32 0.18 -0.22 0.00 0.00 0.00 179.25 179.52 2k6b h LYS 33 N 0.86 1.08 -0.70 0.00 1.63 -1.10 -0.37 116.57 117.98 2k6b h LYS 33 Ca 0.22 -0.25 -0.06 0.00 -0.85 0.00 0.00 60.65 59.71 2k6b h LYS 33 Cb 0.03 -0.15 -0.03 0.00 -0.60 0.00 0.00 32.23 31.48 2k6b h LYS 33 CO -0.04 0.95 0.20 1.25 -3.45 0.00 0.00 179.45 178.36 2k6b h HIS 34 N 1.01 1.15 0.00 1.91 2.76 -0.55 -2.34 115.15 119.08 2k6b h HIS 34 Ca 0.21 -0.13 -0.08 0.00 -2.20 0.00 0.00 60.37 58.18 2k6b h HIS 34 Cb 0.35 -0.33 -0.01 0.00 1.55 0.00 0.00 27.41 28.97 2k6b h HIS 34 CO 0.03 0.93 -0.38 0.00 -1.30 0.00 0.00 177.93 177.20 2k6b h ARG 35 N 1.04 0.00 -0.72 5.26 3.08 -0.03 -0.59 114.38 122.43 2k6b h ARG 35 Ca 0.22 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.23 2k6b h ARG 35 Cb 0.34 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.35 2k6b h ARG 35 CO -0.00 0.38 0.30 0.93 -1.07 0.00 0.00 179.97 180.50 2k6b h GLU 36 N 0.00 1.06 -0.16 0.04 5.08 -0.54 -0.26 114.58 119.81 2k6b h GLU 36 Ca -0.00 -0.19 -0.08 0.00 -1.00 0.00 0.00 59.36 58.09 2k6b h GLU 36 Cb 0.69 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 2k6b h GLU 36 CO 0.05 0.87 -0.21 0.00 -1.00 0.00 0.00 179.01 178.71 2k6b h ALA 37 N 1.14 0.24 -0.80 3.43 0.00 -1.22 -3.24 119.26 118.81 2k6b h ALA 37 Ca 0.24 -0.36 0.07 0.00 0.00 0.00 0.00 54.91 54.86 2k6b h ALA 37 Cb 0.19 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 2k6b h ALA 37 CO -0.02 0.18 0.53 0.93 0.00 0.00 0.00 179.25 180.87 2k6b h GLU 38 N 0.05 0.83 -0.47 0.00 5.08 -0.80 0.35 114.58 119.63 2k6b h GLU 38 Ca 0.02 -0.05 0.10 0.00 -1.00 0.00 0.00 59.36 58.42 2k6b h GLU 38 Cb 0.77 -0.19 -0.09 0.00 0.50 0.00 0.00 28.75 29.74 2k6b h GLU 38 CO 0.05 0.55 -0.17 1.98 -1.00 0.00 0.00 179.01 180.42 2k6b h MET 39 N 0.85 -0.07 0.02 2.33 4.05 -1.07 0.37 114.93 121.43 2k6b h MET 39 Ca 0.35 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.77 2k6b h MET 39 Cb 0.27 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.08 2k6b h MET 39 CO -0.13 -0.04 -0.01 0.00 0.23 0.00 0.00 176.91 176.96 2k6b h ARG 40 N -0.07 -0.03 -0.96 0.39 3.08 -1.62 -3.40 114.38 111.77 2k6b h ARG 40 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.28 2k6b h ARG 40 Cb 0.41 0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.42 2k6b h ARG 40 CO -0.52 0.70 0.61 -0.97 -1.07 0.00 0.00 179.97 178.72 2k6b h ASN 41 N -0.88 1.13 0.06 7.04 -1.24 -0.49 -3.18 115.58 118.03 2k6b h ASN 41 Ca -0.00 -0.05 0.01 0.00 0.71 0.00 0.00 56.30 56.97 2k6b h ASN 41 Cb 0.74 -0.28 -0.01 0.00 0.73 0.00 0.00 38.32 39.50 2k6b h ASN 41 CO 0.01 0.84 -0.10 0.77 -1.29 0.00 0.00 177.43 177.66 2k6b h SER 42 N 1.31 -0.27 -0.55 1.15 4.64 -0.46 0.38 113.55 119.75 2k6b h SER 42 Ca 0.35 0.03 -0.05 0.00 -0.47 0.00 0.00 61.79 61.65 2k6b h SER 42 Cb -0.10 0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 62.06 2k6b h SER 42 CO -0.07 -0.15 0.15 0.16 -0.87 0.00 0.00 176.83 176.06 2k6b h ILE 43 N -0.20 1.24 0.25 0.95 3.07 -1.77 -0.49 117.51 120.56 2k6b h ILE 43 Ca 0.02 -0.84 -0.01 0.00 1.55 0.00 0.00 64.86 65.57 2k6b h ILE 43 Cb 0.21 0.61 0.00 0.00 -0.27 0.00 0.00 36.82 37.38 2k6b h ILE 43 CO -0.05 0.32 -0.12 -0.07 -1.05 0.00 0.00 178.15 177.18 2k6b h LEU 44 N 0.88 -0.28 -1.38 0.16 3.38 -1.41 -2.49 115.31 114.17 2k6b h LEU 44 Ca 0.19 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2k6b h LEU 44 Cb 0.30 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2k6b h LEU 44 CO -0.00 0.08 0.00 0.00 0.09 0.00 0.00 178.44 178.60 2k6b h ALA 45 N -0.06 1.00 0.19 1.53 0.00 -0.09 0.23 119.26 122.06 2k6b h ALA 45 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.54 2k6b h ALA 45 Cb 0.47 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.28 2k6b h ALA 45 CO 0.06 0.00 -1.61 1.96 0.00 0.00 0.00 179.25 179.65 2k6b h GLN 46 N 0.00 0.40 0.14 0.00 1.08 -1.06 -3.38 115.11 112.29 2k6b h GLN 46 Ca 0.00 -0.69 -0.32 0.00 -1.45 0.00 0.00 58.65 56.19 2k6b h GLN 46 Cb 0.43 0.26 0.00 0.00 -0.05 0.00 0.00 27.48 28.12 2k6b h GLN 46 CO 0.00 1.31 -1.58 -0.39 -0.95 0.00 0.00 178.83 177.22 2k6b h VAL 47 N 0.11 1.11 -3.33 -0.54 -1.51 -1.16 -3.44 116.25 107.48 2k6b h VAL 47 Ca -0.29 -2.72 -0.54 0.00 -1.23 0.00 0.00 66.70 61.92 2k6b h VAL 47 Cb 2.10 2.78 -0.01 0.00 -2.13 0.00 0.00 31.29 34.02 2k6b h VAL 47 CO 0.20 0.83 0.44 -0.76 -1.23 0.00 0.00 177.57 177.05 2k6b s LEU 48 N -7.10 4.36 0.74 4.19 1.43 0.80 0.76 118.68 123.86 2k6b s LEU 48 Ca -0.11 1.77 -0.13 0.00 -1.03 0.00 0.00 54.13 54.63 2k6b s LEU 48 Cb 0.06 -3.57 0.04 0.00 0.03 0.00 0.00 46.19 42.75 2k6b s LEU 48 CO 0.86 -0.33 1.13 -0.62 0.23 0.00 0.00 176.35 177.61 2k6b s ASP 49 N 1.04 4.49 0.37 2.29 2.15 -0.41 -4.69 116.67 121.89 2k6b s ASP 49 Ca 0.54 2.05 0.15 0.00 0.43 0.00 0.00 52.55 55.72 2k6b s ASP 49 Cb -0.24 -2.55 1.01 0.00 -0.30 0.00 0.00 42.92 40.84 2k6b s ASP 49 CO 0.28 -2.05 1.76 -0.61 -0.17 0.00 0.00 175.17 174.37 2k6b h GLN 50 N -0.58 0.46 -0.04 4.34 4.15 -1.89 0.24 115.11 121.80 2k6b h GLN 50 Ca -0.46 -0.03 -0.19 0.00 0.77 0.00 0.00 58.65 58.75 2k6b h GLN 50 Cb 1.26 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.83 2k6b h GLN 50 CO 0.51 0.31 -0.78 0.77 -1.93 0.00 0.00 178.83 177.70 2k6b h SER 51 N 0.48 0.36 0.05 -0.69 0.02 -1.93 -0.75 113.55 111.09 2k6b h SER 51 Ca 0.61 -0.26 -0.22 0.00 -0.84 0.00 0.00 61.79 61.09 2k6b h SER 51 Cb 1.38 -0.11 0.01 0.00 0.14 0.00 0.00 62.40 63.82 2k6b h SER 51 CO -0.37 1.01 -0.81 0.00 -1.14 0.00 0.00 176.83 175.53 2k6b h ALA 52 N 0.98 0.39 -0.56 3.77 0.00 -1.13 0.59 119.26 123.30 2k6b h ALA 52 Ca -0.04 -0.62 -0.07 0.00 0.00 0.00 0.00 54.91 54.18 2k6b h ALA 52 Cb 1.37 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 2k6b h ALA 52 CO 0.13 0.72 0.08 -0.09 0.00 0.00 0.00 179.25 180.09 2k6b h ARG 53 N 0.41 0.93 -0.37 0.00 9.65 -0.56 0.55 114.38 125.00 2k6b h ARG 53 Ca -0.06 -0.25 -0.01 0.00 -1.10 0.00 0.00 59.98 58.56 2k6b h ARG 53 Cb 1.42 -0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 29.88 2k6b h ARG 53 CO 0.15 0.90 0.18 0.00 2.80 0.00 0.00 179.97 184.00 2k6b h ALA 54 N 0.99 0.47 -0.96 2.80 0.00 -1.00 0.60 119.26 122.17 2k6b h ALA 54 Ca 0.17 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.02 2k6b h ALA 54 Cb 0.42 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.01 2k6b h ALA 54 CO 0.01 0.04 0.62 -0.09 0.00 0.00 0.00 179.25 179.83 2k6b h ARG 55 N 0.45 1.13 -0.20 0.00 9.65 -0.54 -0.20 114.38 124.67 2k6b h ARG 55 Ca 0.13 -0.07 -0.18 0.00 -1.10 0.00 0.00 59.98 58.76 2k6b h ARG 55 Cb 0.12 -0.25 -0.00 0.00 -1.39 0.00 0.00 29.97 28.44 2k6b h ARG 55 CO -0.02 0.75 -0.60 1.25 2.80 0.00 0.00 179.97 184.15 2k6b h LEU 56 N 1.16 0.76 -1.62 3.80 5.85 -0.46 -1.13 115.31 123.67 2k6b h LEU 56 Ca 0.39 -0.43 -0.04 0.00 0.84 0.00 0.00 57.88 58.64 2k6b h LEU 56 Cb 0.08 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 2k6b h LEU 56 CO -0.13 1.19 -0.20 -1.28 -0.34 0.00 0.00 178.44 177.67 2k6b h SER 57 N 0.50 0.00 0.12 1.25 0.87 -0.25 0.48 113.55 116.53 2k6b h SER 57 Ca -0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 2k6b h SER 57 Cb 1.18 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 2k6b h SER 57 CO 0.12 0.20 -0.06 -1.13 -0.53 0.00 0.00 176.83 175.43 2k6b h ASN 58 N 0.00 -0.14 -0.10 6.23 -0.00 -0.58 -3.22 115.58 117.77 2k6b h ASN 58 Ca -0.00 -0.35 -0.00 0.00 -0.00 0.00 0.00 56.30 55.95 2k6b h ASN 58 Cb 0.46 0.04 -0.01 0.00 -0.00 0.00 0.00 38.32 38.81 2k6b h ASN 58 CO 0.03 0.31 0.06 -0.07 -0.00 0.00 0.00 177.43 177.75 2k6b h LEU 59 N -0.62 0.12 -2.19 0.34 -0.00 -0.61 -1.77 115.31 110.58 2k6b h LEU 59 Ca -0.02 -0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.85 2k6b h LEU 59 Cb 0.48 -0.03 -0.00 0.00 -0.00 0.00 0.00 40.66 41.11 2k6b h LEU 59 CO 0.03 0.09 -0.05 0.00 -0.00 0.00 0.00 178.44 178.52 2k6b h ALA 60 N 1.93 1.57 0.00 1.53 0.00 -0.93 0.99 119.26 124.34 2k6b h ALA 60 Ca 0.04 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2k6b h ALA 60 Cb -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2k6b h ALA 60 CO -0.01 0.06 -0.99 1.28 0.00 0.00 0.00 179.25 179.59 2k6b n LEU 61 N -3.97 0.82 -0.13 0.00 4.77 -0.67 -4.02 117.00 113.81 2k6b n LEU 61 Ca -0.03 0.31 -0.27 0.00 -0.03 0.00 0.00 56.01 55.99 2k6b n LEU 61 Cb 0.13 -0.07 -0.11 0.00 -2.33 0.00 0.00 43.42 41.05 2k6b n LEU 61 CO 0.30 -0.17 -1.19 1.33 -1.33 0.00 0.00 177.39 176.33 2k6b n VAL 62 N -2.61 1.54 -3.31 4.08 0.24 -0.69 -4.91 118.33 112.66 2k6b n VAL 62 Ca 0.00 -0.32 -0.11 0.00 -2.04 0.00 0.00 64.34 61.87 2k6b n VAL 62 Cb 0.54 -1.88 -0.06 0.00 -1.47 0.00 0.00 33.84 30.97 2k6b n VAL 62 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 2k6b s LYS 63 N -2.48 0.61 0.00 7.34 -2.85 0.26 -5.01 119.74 117.61 2k6b s LYS 63 Ca -0.36 -0.44 0.10 0.00 -1.00 0.00 0.00 55.97 54.28 2k6b s LYS 63 Cb 0.12 -0.42 0.45 0.00 -2.06 0.00 0.00 37.83 35.92 2k6b s LYS 63 CO 0.53 -1.15 1.33 -0.35 0.10 0.00 0.00 175.35 175.81 2k6b n PRO 64 N 4.61 0.01 0.00 1.78 -0.04 -1.25 -2.28 135.00 137.83 2k6b n PRO 64 Ca 0.08 0.31 -0.10 0.00 -0.04 0.00 0.00 63.50 63.75 2k6b n PRO 64 Cb 0.49 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.41 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 -0.13 -0.26 0.54 5.08 -1.93 0.29 114.58 118.17 2k6b h GLU 65 Ca 0.00 0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.26 2k6b h GLU 65 Cb 0.17 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 2k6b h GLU 65 CO 0.00 -0.08 -0.28 0.87 -1.00 0.00 0.00 179.01 178.51 2k6b h LYS 66 N -0.13 0.52 0.10 2.33 1.79 -1.82 -0.43 116.57 118.94 2k6b h LYS 66 Ca 0.08 -0.21 -0.01 0.00 -2.18 0.00 0.00 60.65 58.33 2k6b h LYS 66 Cb 0.24 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.87 2k6b h LYS 66 CO -0.19 0.76 -0.05 1.15 -1.08 0.00 0.00 179.45 180.04 2k6b h THR 67 N 0.46 0.97 -0.68 -0.16 2.02 -1.49 0.75 112.91 114.78 2k6b h THR 67 Ca 0.06 -0.25 -0.02 0.00 0.77 0.00 0.00 66.41 66.96 2k6b h THR 67 Cb 0.73 1.13 -0.03 0.00 -1.74 0.00 0.00 68.15 68.24 2k6b h THR 67 CO 0.06 0.06 0.34 0.11 0.37 0.00 0.00 175.52 176.45 2k6b h LYS 68 N -0.25 0.98 0.10 6.66 1.57 -0.70 0.87 116.57 125.79 2k6b h LYS 68 Ca -0.01 -0.14 -0.00 0.00 -1.87 0.00 0.00 60.65 58.62 2k6b h LYS 68 Cb 0.21 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.34 2k6b h LYS 68 CO 0.02 0.77 -0.05 0.00 -0.57 0.00 0.00 179.45 179.63 2k6b h ALA 69 N 1.16 -0.13 -0.49 3.86 0.00 -0.91 0.35 119.26 123.09 2k6b h ALA 69 Ca 0.24 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.95 2k6b h ALA 69 Cb 0.11 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2k6b h ALA 69 CO -0.03 -0.52 -0.18 -0.39 0.00 0.00 0.00 179.25 178.13 2k6b h VAL 70 N -0.23 1.27 -0.53 0.00 -1.51 -0.67 -1.36 116.25 113.22 2k6b h VAL 70 Ca -0.01 -1.33 -0.06 0.00 -1.23 0.00 0.00 66.70 64.07 2k6b h VAL 70 Cb 0.19 1.07 -0.02 0.00 -2.13 0.00 0.00 31.29 30.40 2k6b h VAL 70 CO 0.02 0.46 0.10 -0.33 -1.23 0.00 0.00 177.57 176.60 2k6b h GLU 71 N 0.86 0.86 -0.71 5.19 5.08 -0.73 0.35 114.58 125.48 2k6b h GLU 71 Ca 0.12 -0.22 -0.07 0.00 -1.00 0.00 0.00 59.36 58.19 2k6b h GLU 71 Cb 0.74 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.86 2k6b h GLU 71 CO 0.06 0.83 0.18 -0.97 -1.00 0.00 0.00 179.01 178.11 2k6b h ASN 72 N 0.75 1.05 0.07 1.42 -1.24 -0.86 0.31 115.58 117.08 2k6b h ASN 72 Ca 0.16 -0.22 -0.00 0.00 0.71 0.00 0.00 56.30 56.95 2k6b h ASN 72 Cb 0.38 -0.28 0.00 0.00 0.73 0.00 0.00 38.32 39.15 2k6b h ASN 72 CO 0.01 1.00 -0.03 0.22 -1.29 0.00 0.00 177.43 177.33 2k6b h TYR 73 N 1.06 -0.09 -0.69 0.67 3.20 -0.83 -2.73 116.97 117.57 2k6b h TYR 73 Ca 0.22 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.07 2k6b h TYR 73 Cb 0.35 0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.62 2k6b h TYR 73 CO 0.03 0.14 0.35 -0.07 -1.64 0.00 0.00 178.16 176.97 2k6b h LEU 74 N -0.31 0.86 -0.31 2.82 -0.00 0.04 0.35 115.31 118.75 2k6b h LEU 74 Ca -0.01 -0.08 0.06 0.00 -0.00 0.00 0.00 57.88 57.86 2k6b h LEU 74 Cb 0.27 -0.22 -0.06 0.00 -0.00 0.00 0.00 40.66 40.65 2k6b h LEU 74 CO 0.02 0.71 -0.10 0.40 -0.00 0.00 0.00 178.44 179.47 2k6b h ILE 75 N 0.96 0.64 -0.11 1.22 2.04 -0.29 0.30 117.51 122.27 2k6b h ILE 75 Ca 0.24 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 66.00 2k6b h ILE 75 Cb 0.06 0.64 0.00 0.00 -0.74 0.00 0.00 36.82 36.78 2k6b h ILE 75 CO -0.04 0.00 -0.32 1.56 0.00 0.00 0.00 178.15 179.35 2k6b h GLN 76 N -0.03 0.42 -0.70 2.37 4.20 -1.14 -2.26 115.11 117.97 2k6b h GLN 76 Ca 0.15 -0.30 0.02 0.00 0.06 0.00 0.00 58.65 58.59 2k6b h GLN 76 Cb 0.27 0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.05 2k6b h GLN 76 CO -0.34 0.91 0.45 1.98 -0.67 0.00 0.00 178.83 181.16 2k6b h MET 77 N -0.00 0.86 -0.05 1.46 4.05 0.00 0.26 114.93 121.51 2k6b h MET 77 Ca -0.01 -0.05 -0.19 0.00 -0.28 0.00 0.00 59.70 59.17 2k6b h MET 77 Cb 0.94 -0.19 -0.00 0.00 -0.80 0.00 0.00 31.60 31.54 2k6b h MET 77 CO 0.07 0.57 -0.79 0.00 0.23 0.00 0.00 176.91 176.99 2k6b h ALA 78 N 1.28 0.55 -0.02 0.39 0.00 -0.47 0.50 119.26 121.50 2k6b h ALA 78 Ca 0.27 -0.64 -0.15 0.00 0.00 0.00 0.00 54.91 54.39 2k6b h ALA 78 Cb -0.03 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2k6b h ALA 78 CO -0.09 0.80 -0.67 -0.09 0.00 0.00 0.00 179.25 179.20 2k6b h ARG 79 N 0.23 0.08 -0.04 0.00 2.43 -0.71 -2.16 114.38 114.21 2k6b h ARG 79 Ca -0.04 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 2k6b h ARG 79 Cb 1.38 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.94 2k6b h ARG 79 CO 0.13 0.71 0.00 0.66 -1.51 0.00 0.00 179.97 179.97 2k6b n TYR 80 N -3.78 0.05 -2.62 2.20 4.01 0.83 -4.91 117.16 112.95 2k6b n TYR 80 Ca -0.02 -0.02 -0.09 0.00 -0.16 0.00 0.00 57.90 57.61 2k6b n TYR 80 Cb 0.66 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.70 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 1.02 0.23 0.35 2.72 0.00 -0.81 -4.91 105.19 103.78 2k6b n GLY 81 Ca 0.19 -0.40 0.10 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.08 1.46 -4.89 1.61 6.02 0.15 -4.73 117.38 114.92 2k6b n GLN 82 Ca -0.04 -0.69 -0.27 0.00 -0.01 0.00 0.00 57.00 55.99 2k6b n GLN 82 Cb 0.54 -1.35 -0.16 0.00 1.02 0.00 0.00 30.24 30.29 2k6b n GLN 82 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2k6b s LEU 83 N -1.56 1.91 -0.01 1.08 2.01 -1.26 -4.98 118.68 115.87 2k6b s LEU 83 Ca 0.30 -0.39 0.09 0.00 0.01 0.00 0.00 54.13 54.14 2k6b s LEU 83 Cb 0.16 -1.04 -0.13 0.00 0.01 0.00 0.00 46.19 45.18 2k6b s LEU 83 CO 0.24 0.15 0.21 -1.20 1.01 0.00 0.00 176.35 176.75 2k6b n SER 84 N 3.27 2.78 -0.76 2.29 7.64 -1.26 -5.03 113.62 122.56 2k6b n SER 84 Ca -0.19 -0.06 0.00 0.00 1.01 0.00 0.00 58.87 59.63 2k6b n SER 84 Cb 0.53 1.37 0.00 0.00 -1.01 0.00 0.00 64.21 65.09 2k6b n SER 84 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2k6b n GLU 85 N -1.75 0.33 -2.47 1.43 1.02 -1.26 -5.15 120.64 112.79 2k6b n GLU 85 Ca -0.01 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.80 2k6b n GLU 85 Cb 0.22 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.61 2k6b n GLU 85 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2k6b s LYS 86 N -1.01 3.85 -0.35 3.49 1.02 -1.26 -4.79 119.74 120.68 2k6b s LYS 86 Ca 0.00 1.16 -0.12 0.00 0.02 0.00 0.00 55.97 57.03 2k6b s LYS 86 Cb 0.00 -2.11 0.00 0.00 -0.52 0.00 0.00 37.83 35.20 2k6b s LYS 86 CO 0.00 -0.37 0.22 0.08 -0.92 0.00 0.00 175.35 174.36 2k6b s VAL 87 N -2.30 4.93 0.90 3.17 1.01 0.23 -4.92 120.40 123.42 2k6b s VAL 87 Ca 0.63 -0.52 -0.13 0.00 0.00 0.00 0.00 61.98 61.96 2k6b s VAL 87 Cb -0.13 -3.62 0.14 0.00 0.00 0.00 0.00 36.38 32.77 2k6b s VAL 87 CO 0.25 -0.10 1.19 -0.44 0.00 0.00 0.00 175.10 175.99 2k6b s SER 88 N 1.64 3.67 0.18 3.32 0.01 -1.26 -1.29 113.70 119.97 2k6b s SER 88 Ca 0.04 0.73 -0.14 0.00 1.31 0.00 0.00 55.95 57.89 2k6b s SER 88 Cb -0.18 -1.15 0.15 0.00 0.21 0.00 0.00 66.02 65.06 2k6b s SER 88 CO 0.08 -2.43 1.70 -0.33 0.41 0.00 0.00 173.24 172.68 2k6b h GLU 89 N -1.42 0.16 -0.41 12.44 5.08 -1.92 0.55 114.58 129.06 2k6b h GLU 89 Ca -0.47 -0.01 0.05 0.00 -1.00 0.00 0.00 59.36 57.93 2k6b h GLU 89 Cb 1.31 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.50 2k6b h GLU 89 CO 0.57 0.10 0.28 -0.56 -1.00 0.00 0.00 179.01 178.40 2k6b h GLN 90 N 0.16 0.32 -0.15 2.33 3.07 -1.98 0.31 115.11 119.17 2k6b h GLN 90 Ca 0.23 -0.02 -0.20 0.00 0.09 0.00 0.00 58.65 58.75 2k6b h GLN 90 Cb 0.31 -0.07 0.01 0.00 0.08 0.00 0.00 27.48 27.81 2k6b h GLN 90 CO -0.34 0.21 -0.67 0.78 0.09 0.00 0.00 178.83 178.90 2k6b h GLY 91 N 0.33 0.79 1.91 0.06 0.00 -1.34 -2.66 103.07 102.16 2k6b h GLY 91 Ca 0.18 -1.10 -0.13 0.00 0.00 0.00 0.00 47.33 46.28 2k6b h GLY 91 CO -0.04 0.98 -0.58 -2.00 0.00 0.00 0.00 176.54 174.90 2k6b h LEU 92 N 0.42 0.11 -1.63 3.11 5.85 0.11 -2.22 115.31 121.05 2k6b h LEU 92 Ca -0.04 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.60 2k6b h LEU 92 Cb 1.30 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.29 2k6b h LEU 92 CO 0.14 0.66 0.03 0.40 -0.34 0.00 0.00 178.44 179.33 2k6b h ILE 93 N 0.07 1.10 -0.16 4.05 2.04 -0.36 0.45 117.51 124.71 2k6b h ILE 93 Ca -0.00 -0.38 -0.11 0.00 1.00 0.00 0.00 64.86 65.36 2k6b h ILE 93 Cb 1.04 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 38.04 2k6b h ILE 93 CO 0.08 0.13 -0.40 -0.08 0.00 0.00 0.00 178.15 177.89 2k6b h GLU 94 N 0.26 0.36 -0.06 2.37 4.57 -1.04 0.61 114.58 121.64 2k6b h GLU 94 Ca 0.06 -0.17 -0.20 0.00 -1.18 0.00 0.00 59.36 57.87 2k6b h GLU 94 Cb 0.13 -0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.73 2k6b h GLU 94 CO -0.00 0.70 -0.75 0.82 -1.18 0.00 0.00 179.01 178.60 2k6b h ILE 95 N 0.30 1.33 -0.54 2.32 1.08 -0.90 -3.17 117.51 117.93 2k6b h ILE 95 Ca 0.03 -2.04 -0.00 0.00 -0.39 0.00 0.00 64.86 62.46 2k6b h ILE 95 Cb 0.83 2.29 -0.03 0.00 -3.07 0.00 0.00 36.82 36.84 2k6b h ILE 95 CO 0.07 0.62 0.33 0.25 -0.69 0.00 0.00 178.15 178.73 2k6b h LEU 96 N 0.25 0.65 -1.36 1.44 5.85 0.13 -0.82 115.31 121.45 2k6b h LEU 96 Ca -0.08 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.56 2k6b h LEU 96 Cb 1.41 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.26 2k6b h LEU 96 CO 0.15 0.51 0.07 0.07 -0.34 0.00 0.00 178.44 178.90 2k6b h LYS 97 N 0.73 0.50 0.16 1.25 2.10 -0.96 -1.60 116.57 118.76 2k6b h LYS 97 Ca 0.20 -0.08 -0.01 0.00 -2.00 0.00 0.00 60.65 58.76 2k6b h LYS 97 Cb -0.02 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 31.22 2k6b h LYS 97 CO -0.04 0.47 -0.08 0.87 -2.00 0.00 0.00 179.45 178.68 2k6b h LYS 98 N 0.49 -0.21 0.00 0.07 1.57 -1.32 -3.08 116.57 114.09 2k6b h LYS 98 Ca 0.12 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 2k6b h LYS 98 Cb 0.21 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.57 2k6b h LYS 98 CO -0.00 0.08 0.00 -0.39 -0.57 0.00 0.00 179.45 178.56 2k6b h VAL 99 N -0.49 0.00 0.00 0.50 -1.51 -0.83 0.38 116.25 114.30 2k6b h VAL 99 Ca -0.02 -0.29 -0.01 0.00 -1.23 0.00 0.00 66.70 65.15 2k6b h VAL 99 Cb 0.38 1.18 -0.00 0.00 -2.13 0.00 0.00 31.29 30.72 2k6b h VAL 99 CO 0.04 0.00 -0.04 0.28 -1.23 0.00 0.00 177.57 176.62 2k6b h SER 100 N 0.00 0.00 0.00 4.19 0.02 -1.21 -3.36 113.55 113.19 2k6b h SER 100 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2k6b h SER 100 Cb 0.32 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.86 2k6b h SER 100 CO 0.00 0.04 0.00 0.00 -1.14 0.00 0.00 176.83 175.73 2k6b n GLN 101 N -3.14 0.00 -3.65 3.45 6.02 -0.17 -5.10 117.38 114.79 2k6b n GLN 101 Ca 0.01 0.00 0.02 0.00 -0.01 0.00 0.00 57.00 57.02 2k6b n GLN 101 Cb 0.36 -0.36 -0.06 0.00 1.02 0.00 0.00 30.24 31.20 2k6b n GLN 101 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 2k6b s GLN 102 N -0.99 0.01 -1.02 -1.09 1.03 0.12 -5.10 119.66 112.62 2k6b s GLN 102 Ca 0.00 0.02 -0.05 0.00 0.04 0.00 0.00 55.36 55.37 2k6b s GLN 102 Cb 0.00 0.00 0.28 0.00 0.03 0.00 0.00 33.01 33.32 2k6b s GLN 102 CO 0.00 -0.00 1.15 -2.37 -2.54 0.00 0.00 175.29 171.52 2k6b n THR 103 N 2.83 4.35 -2.02 3.63 5.66 -1.23 -4.47 114.28 123.02 2k6b n THR 103 Ca -0.16 -5.51 -0.15 0.00 -3.05 0.00 0.00 64.05 55.18 2k6b n THR 103 Cb 0.56 -2.33 -0.02 0.00 -1.55 0.00 0.00 70.33 66.98 2k6b n THR 103 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2k6b n GLU 104 N 1.99 -1.13 0.17 1.09 1.02 -1.26 -4.86 120.64 117.66 2k6b n GLU 104 Ca 0.25 0.81 0.02 0.00 -0.02 0.00 0.00 57.16 58.21 2k6b n GLU 104 Cb 0.37 -5.06 0.29 0.00 -0.02 0.00 0.00 31.44 27.02 2k6b n GLU 104 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 2k6b h LYS 105 N 0.00 0.00 0.00 3.49 3.11 -1.99 -0.92 116.57 120.26 2k6b h LYS 105 Ca -0.33 0.00 -0.03 0.00 -2.81 0.00 0.00 60.65 57.48 2k6b h LYS 105 Cb 1.17 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 32.39 2k6b h LYS 105 CO 0.42 0.46 -0.34 1.79 -2.81 0.00 0.00 179.45 178.97 2k6b h THR 106 N 0.00 0.17 -3.07 1.00 1.35 -1.94 -3.40 112.91 107.02 2k6b h THR 106 Ca -0.00 -1.25 -0.77 0.00 -0.55 0.00 0.00 66.41 63.84 2k6b h THR 106 Cb 0.84 1.98 -0.23 0.00 -1.73 0.00 0.00 68.15 69.00 2k6b h THR 106 CO 0.06 0.10 0.70 -0.89 -0.25 0.00 0.00 175.52 175.23 2k6b s THR 107 N -3.18 5.51 0.00 6.82 2.01 -0.35 -4.96 115.64 121.49 2k6b s THR 107 Ca 0.05 -2.82 0.06 0.00 0.31 0.00 0.00 61.69 59.28 2k6b s THR 107 Cb 0.06 -4.69 -0.02 0.00 0.01 0.00 0.00 72.50 67.87 2k6b s THR 107 CO 0.71 -1.32 -0.19 -0.89 -0.69 0.00 0.00 174.62 172.24 2k6b s THR 108 N 0.26 1.47 0.08 -0.82 2.01 -1.26 -4.96 115.64 112.42 2k6b s THR 108 Ca 0.32 -0.88 -0.05 0.00 0.31 0.00 0.00 61.69 61.40 2k6b s THR 108 Cb -0.07 -1.24 -0.05 0.00 0.01 0.00 0.00 72.50 71.15 2k6b s THR 108 CO -0.06 0.35 0.32 0.54 -0.69 0.00 0.00 174.62 175.07 2k6b s VAL 109 N -0.53 5.24 -0.55 3.82 0.11 -1.26 -5.03 120.40 122.20 2k6b s VAL 109 Ca 0.07 0.03 -0.28 0.00 -2.93 0.00 0.00 61.98 58.87 2k6b s VAL 109 Cb -0.07 -3.61 0.00 0.00 -1.53 0.00 0.00 36.38 31.17 2k6b s VAL 109 CO -0.00 0.17 1.56 -0.54 -3.33 0.00 0.00 175.10 172.96 2k6b s LYS 110 N -2.32 3.14 -1.07 1.54 -0.14 -1.26 -4.91 119.74 114.72 2k6b s LYS 110 Ca 0.36 0.58 -0.20 0.00 -1.36 0.00 0.00 55.97 55.34 2k6b s LYS 110 Cb -0.13 -4.20 0.08 0.00 -1.68 0.00 0.00 37.83 31.91 2k6b s LYS 110 CO 0.22 -2.13 1.43 0.12 -0.76 0.00 0.00 175.35 174.24 2k6b s PHE 111 N 6.86 2.78 -0.87 3.18 5.36 -1.26 -5.37 117.98 128.66 2k6b s PHE 111 Ca 0.58 -1.22 0.07 0.00 -0.96 0.00 0.00 56.93 55.41 2k6b s PHE 111 Cb -0.12 -4.59 0.06 0.00 -0.34 0.00 0.00 43.02 38.02 2k6b s PHE 111 CO 0.24 -1.77 0.72 -1.71 -1.46 0.00 0.00 175.22 171.24