#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 6.75 0.21 1.61 0.15 -1.26 -4.87 113.70 116.29 2k6b s SER 1 Ca 0.00 1.09 -0.11 0.00 0.70 0.00 0.00 55.95 57.63 2k6b s SER 1 Cb 0.00 -2.30 0.28 0.00 -1.71 0.00 0.00 66.02 62.29 2k6b s SER 1 CO 0.00 -0.06 1.66 0.00 1.20 0.00 0.00 173.24 176.04 2k6b h ALA 2 N 2.78 0.57 0.00 5.45 0.00 -2.05 0.48 119.26 126.49 2k6b h ALA 2 Ca -0.48 0.19 -0.15 0.00 0.00 0.00 0.00 54.91 54.48 2k6b h ALA 2 Cb 1.18 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 19.29 2k6b h ALA 2 CO 0.67 -0.40 -0.71 0.38 0.00 0.00 0.00 179.25 179.19 2k6b h ASP 3 N 0.10 0.00 -0.01 0.00 2.03 -1.99 -2.67 116.42 113.87 2k6b h ASP 3 Ca 0.31 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 56.59 2k6b h ASP 3 Cb 0.50 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.00 2k6b h ASP 3 CO -0.53 0.71 -0.09 -0.08 -1.03 0.00 0.00 179.24 178.22 2k6b h GLU 4 N 0.00 0.09 0.00 4.15 4.81 -1.47 -2.86 114.58 119.29 2k6b h GLU 4 Ca -0.01 -0.08 -0.06 0.00 -0.13 0.00 0.00 59.36 59.09 2k6b h GLU 4 Cb 1.36 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.75 2k6b h GLU 4 CO 0.09 0.76 -0.28 1.05 -0.73 0.00 0.00 179.01 179.90 2k6b h GLU 5 N -0.56 0.00 -0.69 1.92 4.11 -0.19 0.49 114.58 119.65 2k6b h GLU 5 Ca -0.01 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.39 2k6b h GLU 5 Cb 0.79 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.01 2k6b h GLU 5 CO 0.02 0.28 0.29 1.25 0.07 0.00 0.00 179.01 180.92 2k6b h LEU 6 N 0.00 0.93 -0.07 3.06 5.85 -1.47 0.14 115.31 123.75 2k6b h LEU 6 Ca -0.00 -0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.56 2k6b h LEU 6 Cb 0.66 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.45 2k6b h LEU 6 CO 0.04 0.82 -0.08 -0.33 -0.34 0.00 0.00 178.44 178.55 2k6b h GLU 7 N 1.00 0.17 -0.99 1.25 5.08 -0.92 -2.98 114.58 117.18 2k6b h GLU 7 Ca 0.24 -0.09 0.10 0.00 -1.00 0.00 0.00 59.36 58.60 2k6b h GLU 7 Cb 0.17 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.35 2k6b h GLU 7 CO -0.02 0.63 0.63 0.00 -1.00 0.00 0.00 179.01 179.25 2k6b h ALA 8 N 0.54 1.50 -0.51 3.43 0.00 -0.72 0.51 119.26 124.00 2k6b h ALA 8 Ca 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2k6b h ALA 8 Cb 0.61 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2k6b h ALA 8 CO 0.02 0.29 0.22 1.25 0.00 0.00 0.00 179.25 181.04 2k6b h LEU 9 N 1.05 0.65 -0.83 0.00 5.85 -0.72 -0.12 115.31 121.18 2k6b h LEU 9 Ca 0.47 -0.07 -0.12 0.00 0.84 0.00 0.00 57.88 59.00 2k6b h LEU 9 Cb 0.38 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 2k6b h LEU 9 CO -0.22 0.57 -0.57 -0.09 -0.34 0.00 0.00 178.44 177.78 2k6b h ARG 10 N 0.72 0.05 -0.41 1.25 2.43 -0.77 0.12 114.38 117.77 2k6b h ARG 10 Ca 0.18 -0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 59.21 2k6b h ARG 10 Cb 0.11 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 2k6b h ARG 10 CO -0.02 0.61 -0.18 0.00 -1.51 0.00 0.00 179.97 178.86 2k6b h ARG 11 N 0.04 0.78 -0.28 0.20 -0.00 -0.41 0.66 114.38 115.37 2k6b h ARG 11 Ca -0.00 -0.30 -0.02 0.00 -0.50 0.00 0.00 59.98 59.15 2k6b h ARG 11 Cb 1.02 -0.05 -0.01 0.00 0.00 0.00 0.00 29.97 30.93 2k6b h ARG 11 CO 0.08 0.91 0.08 0.37 0.00 0.00 0.00 179.97 181.40 2k6b h GLN 12 N 0.69 0.44 -0.81 0.04 -0.00 -0.47 -1.24 115.11 113.76 2k6b h GLN 12 Ca 0.10 -0.10 0.08 0.00 -0.00 0.00 0.00 58.65 58.73 2k6b h GLN 12 Cb 0.68 -0.06 -0.05 0.00 0.00 0.00 0.00 27.48 28.05 2k6b h GLN 12 CO 0.05 0.51 0.53 0.00 0.00 0.00 0.00 178.83 179.92 2k6b h ARG 13 N 0.29 0.82 -0.45 1.69 2.47 -0.58 -1.77 114.38 116.84 2k6b h ARG 13 Ca 0.09 -0.05 -0.05 0.00 -1.26 0.00 0.00 59.98 58.71 2k6b h ARG 13 Cb 0.26 -0.18 -0.02 0.00 -1.65 0.00 0.00 29.97 28.38 2k6b h ARG 13 CO -0.00 0.54 0.08 1.25 0.56 0.00 0.00 179.97 182.40 2k6b h LEU 14 N 0.84 0.64 -1.28 3.04 7.12 -0.10 0.21 115.31 125.78 2k6b h LEU 14 Ca 0.36 -0.11 -0.07 0.00 0.13 0.00 0.00 57.88 58.19 2k6b h LEU 14 Cb 0.30 -0.17 -0.01 0.00 -0.53 0.00 0.00 40.66 40.26 2k6b h LEU 14 CO -0.13 0.66 -0.27 0.00 -0.13 0.00 0.00 178.44 178.56 2k6b h ALA 15 N 1.43 1.40 0.08 1.25 0.00 -0.34 0.23 119.26 123.31 2k6b h ALA 15 Ca 0.15 -0.29 -0.27 0.00 0.00 0.00 0.00 54.91 54.50 2k6b h ALA 15 Cb 0.29 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 18.03 2k6b h ALA 15 CO 0.00 0.42 -1.15 0.93 0.00 0.00 0.00 179.25 179.46 2k6b h GLU 16 N 0.12 0.52 -0.25 0.00 5.08 -1.17 -3.27 114.58 115.61 2k6b h GLU 16 Ca 0.02 -0.66 -0.02 0.00 -1.00 0.00 0.00 59.36 57.70 2k6b h GLU 16 Cb 0.55 0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 2k6b h GLU 16 CO 0.04 1.27 0.09 1.25 -1.00 0.00 0.00 179.01 180.67 2k6b h LEU 17 N 0.24 0.35 -5.93 1.33 5.85 -0.49 -3.11 115.31 113.55 2k6b h LEU 17 Ca -0.14 -0.17 -0.74 0.00 0.84 0.00 0.00 57.88 57.66 2k6b h LEU 17 Cb 1.81 -0.09 -0.12 0.00 0.37 0.00 0.00 40.66 42.63 2k6b h LEU 17 CO 0.21 0.43 2.39 0.00 -0.34 0.00 0.00 178.44 181.13 2k6b n GLN 18 N -4.78 4.08 -1.26 1.25 6.02 0.78 -4.31 117.38 119.16 2k6b n GLN 18 Ca -0.03 -3.37 -0.06 0.00 -0.01 0.00 0.00 57.00 53.53 2k6b n GLN 18 Cb 0.14 -2.78 0.12 0.00 1.02 0.00 0.00 30.24 28.73 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 2.87 4.07 -1.75 -1.58 0.00 -1.18 -4.61 120.51 118.34 2k6b n ALA 19 Ca 0.54 -3.42 -0.38 0.00 0.00 0.00 0.00 53.44 50.18 2k6b n ALA 19 Cb 0.30 -0.38 0.04 0.00 0.00 0.00 0.00 19.45 19.41 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 -3.23 3.06 0.37 0.00 -0.14 -1.26 -4.93 119.74 113.61 2k6b s LYS 20 Ca 0.42 2.18 0.23 0.00 -1.36 0.00 0.00 55.97 57.45 2k6b s LYS 20 Cb 0.38 -2.18 0.33 0.00 -1.68 0.00 0.00 37.83 34.68 2k6b s LYS 20 CO -0.03 -1.24 1.52 1.12 -0.76 0.00 0.00 175.35 175.96 2k6b h HIS 21 N 1.31 0.00 -0.59 3.18 2.07 -1.98 -3.17 115.15 115.97 2k6b h HIS 21 Ca -0.51 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.01 2k6b h HIS 21 Cb 1.30 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.28 2k6b h HIS 21 CO 0.45 0.00 0.00 0.41 -3.07 0.00 0.00 177.93 175.72 2k6b n GLY 22 N 1.14 2.50 3.02 6.13 0.00 -1.26 -4.84 105.19 111.88 2k6b n GLY 22 Ca 0.03 -0.78 -0.13 0.00 0.00 0.00 0.00 46.02 45.15 2k6b n GLY 22 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2k6b s ASP 23 N -0.84 -0.22 0.57 1.61 2.15 -1.20 -5.04 116.67 113.71 2k6b s ASP 23 Ca 0.47 0.45 0.32 0.00 0.43 0.00 0.00 52.55 54.22 2k6b s ASP 23 Cb 0.31 0.35 1.74 0.00 -0.30 0.00 0.00 42.92 45.01 2k6b s ASP 23 CO 0.22 -0.15 2.17 1.55 -0.17 0.00 0.00 175.17 178.79 2k6b h PRO 24 N 7.09 0.00 0.00 4.34 0.13 -1.88 -3.41 132.00 138.27 2k6b h PRO 24 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 2k6b h PRO 24 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2k6b h PRO 24 CO 0.39 0.06 0.00 0.41 -0.23 0.00 0.00 178.00 178.62 2k6b n GLY 25 N -0.88 3.99 0.26 1.56 0.00 -1.26 -4.69 105.19 104.17 2k6b n GLY 25 Ca -0.02 -1.62 -0.08 0.00 0.00 0.00 0.00 46.02 44.30 2k6b n GLY 25 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2k6b h ASP 26 N 0.00 0.83 -0.18 1.61 3.58 -1.92 -1.29 116.42 119.04 2k6b h ASP 26 Ca 0.00 -0.21 -0.05 0.00 0.42 0.00 0.00 57.03 57.20 2k6b h ASP 26 Cb 0.00 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 40.83 2k6b h ASP 26 CO 0.00 0.81 -0.07 0.00 -2.88 0.00 0.00 179.24 177.10 2k6b h ALA 27 N 1.04 0.25 -0.83 -0.78 0.00 -1.97 -3.21 119.26 113.76 2k6b h ALA 27 Ca 0.18 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 54.86 2k6b h ALA 27 Cb 0.28 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 2k6b h ALA 27 CO -0.01 0.05 0.54 0.00 0.00 0.00 0.00 179.25 179.83 2k6b h ALA 28 N 0.70 1.10 -0.44 0.00 0.00 -1.79 -2.36 119.26 116.47 2k6b h ALA 28 Ca 0.04 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.99 2k6b h ALA 28 Cb 0.53 -0.29 -0.06 0.00 0.00 0.00 0.00 17.79 17.98 2k6b h ALA 28 CO 0.02 0.37 0.10 1.96 0.00 0.00 0.00 179.25 181.70 2k6b h GLN 29 N 1.04 0.23 -0.22 0.00 4.20 -1.24 0.14 115.11 119.26 2k6b h GLN 29 Ca 0.33 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 59.02 2k6b h GLN 29 Cb 0.01 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 2k6b h GLN 29 CO -0.11 0.15 0.12 0.37 -0.67 0.00 0.00 178.83 178.69 2k6b h GLN 30 N 0.24 0.31 -0.21 1.46 4.15 -1.46 -0.18 115.11 119.42 2k6b h GLN 30 Ca 0.22 -0.04 -0.19 0.00 0.77 0.00 0.00 58.65 59.41 2k6b h GLN 30 Cb 0.26 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 27.89 2k6b h GLN 30 CO -0.27 0.29 -0.61 0.93 -1.93 0.00 0.00 178.83 177.24 2k6b h GLU 31 N 0.25 0.73 -0.42 1.69 5.08 -1.13 0.80 114.58 121.57 2k6b h GLU 31 Ca 0.08 -0.50 -0.07 0.00 -1.00 0.00 0.00 59.36 57.87 2k6b h GLU 31 Cb 0.07 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 2k6b h GLU 31 CO -0.01 1.12 -0.01 0.00 -1.00 0.00 0.00 179.01 179.11 2k6b h ALA 32 N 0.77 0.57 -0.52 3.43 0.00 -0.63 -1.43 119.26 121.44 2k6b h ALA 32 Ca -0.00 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.57 2k6b h ALA 32 Cb 1.20 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 2k6b h ALA 32 CO 0.13 0.37 0.06 -0.22 0.00 0.00 0.00 179.25 179.58 2k6b h LYS 33 N 0.59 0.88 -0.30 0.00 1.63 -0.91 -1.61 116.57 116.86 2k6b h LYS 33 Ca 0.12 -0.25 -0.01 0.00 -0.85 0.00 0.00 60.65 59.65 2k6b h LYS 33 Cb 0.50 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 32.02 2k6b h LYS 33 CO 0.02 0.88 0.12 1.25 -3.45 0.00 0.00 179.45 178.27 2k6b h HIS 34 N 0.76 0.40 -0.19 1.91 2.76 -0.67 0.16 115.15 120.28 2k6b h HIS 34 Ca 0.16 -0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.28 2k6b h HIS 34 Cb 0.44 -0.13 -0.01 0.00 1.55 0.00 0.00 27.41 29.26 2k6b h HIS 34 CO 0.03 0.32 -0.04 -0.09 -1.30 0.00 0.00 177.93 176.86 2k6b h ARG 35 N 0.42 0.36 -0.76 5.26 2.43 -0.75 -0.26 114.38 121.09 2k6b h ARG 35 Ca 0.11 -0.13 0.05 0.00 -0.81 0.00 0.00 59.98 59.19 2k6b h ARG 35 Cb 0.08 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.56 2k6b h ARG 35 CO -0.01 0.61 0.46 0.93 -1.51 0.00 0.00 179.97 180.45 2k6b h GLU 36 N 0.09 0.84 0.33 0.20 4.39 -0.34 -2.01 114.58 118.09 2k6b h GLU 36 Ca 0.05 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 2k6b h GLU 36 Cb 0.47 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 2k6b h GLU 36 CO 0.02 0.56 -0.16 0.00 -1.16 0.00 0.00 179.01 178.26 2k6b h ALA 37 N 1.35 -0.45 -0.99 3.43 0.00 -0.65 -3.14 119.26 118.82 2k6b h ALA 37 Ca 0.32 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 55.09 2k6b h ALA 37 Cb 0.11 0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.02 2k6b h ALA 37 CO -0.15 -0.58 0.65 0.93 0.00 0.00 0.00 179.25 180.10 2k6b h GLU 38 N -0.80 1.18 -0.24 0.00 4.39 -0.90 0.16 114.58 118.37 2k6b h GLU 38 Ca -0.05 -0.07 0.01 0.00 0.34 0.00 0.00 59.36 59.59 2k6b h GLU 38 Cb 0.52 -0.27 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 2k6b h GLU 38 CO 0.08 0.78 0.15 0.52 -1.16 0.00 0.00 179.01 179.38 2k6b h MET 39 N 1.22 0.30 0.14 2.33 2.86 -1.44 -2.69 114.93 117.66 2k6b h MET 39 Ca 0.40 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 58.02 2k6b h MET 39 Cb 0.06 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.65 2k6b h MET 39 CO -0.14 0.20 -0.07 0.00 1.06 0.00 0.00 176.91 177.96 2k6b h ARG 40 N 0.31 -0.19 0.00 1.72 3.08 -1.41 -3.37 114.38 114.52 2k6b h ARG 40 Ca 0.09 0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.15 2k6b h ARG 40 Cb -0.02 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.07 2k6b h ARG 40 CO -0.03 0.22 -0.00 -0.91 -1.07 0.00 0.00 179.97 178.17 2k6b h ASN 41 N -0.93 0.00 0.04 7.04 2.35 -0.74 -0.88 115.58 122.46 2k6b h ASN 41 Ca -0.02 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.73 2k6b h ASN 41 Cb 0.49 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.86 2k6b h ASN 41 CO 0.03 0.00 -0.02 0.77 -1.65 0.00 0.00 177.43 176.56 2k6b h SER 42 N 0.00 -0.05 0.22 5.81 4.64 -1.63 -2.16 113.55 120.39 2k6b h SER 42 Ca -0.00 -0.42 -0.23 0.00 -0.47 0.00 0.00 61.79 60.66 2k6b h SER 42 Cb 0.00 0.01 0.01 0.00 -0.31 0.00 0.00 62.40 62.11 2k6b h SER 42 CO 0.00 0.41 -0.94 0.16 -0.87 0.00 0.00 176.83 175.59 2k6b h ILE 43 N -0.52 1.36 -0.23 0.95 3.07 -1.63 -3.07 117.51 117.44 2k6b h ILE 43 Ca -0.01 -2.35 -0.01 0.00 1.55 0.00 0.00 64.86 64.04 2k6b h ILE 43 Cb 0.47 2.36 -0.01 0.00 -0.27 0.00 0.00 36.82 39.36 2k6b h ILE 43 CO 0.01 0.71 0.08 -0.07 -1.05 0.00 0.00 178.15 177.83 2k6b h LEU 44 N 0.29 0.28 -1.04 0.16 3.38 -1.25 -1.57 115.31 115.56 2k6b h LEU 44 Ca -0.09 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.77 2k6b h LEU 44 Cb 1.58 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 42.24 2k6b h LEU 44 CO 0.17 0.28 -0.26 0.00 0.09 0.00 0.00 178.44 178.71 2k6b h ALA 45 N 1.77 1.20 -0.19 1.53 0.00 -1.29 0.19 119.26 122.46 2k6b h ALA 45 Ca 0.08 -0.33 -0.12 0.00 0.00 0.00 0.00 54.91 54.54 2k6b h ALA 45 Cb 0.09 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2k6b h ALA 45 CO -0.01 0.52 -0.33 1.96 0.00 0.00 0.00 179.25 181.39 2k6b h GLN 46 N 0.32 0.56 0.12 0.00 4.20 -1.27 -3.35 115.11 115.70 2k6b h GLN 46 Ca 0.05 -0.35 -0.22 0.00 0.06 0.00 0.00 58.65 58.18 2k6b h GLN 46 Cb 0.64 0.04 0.01 0.00 0.30 0.00 0.00 27.48 28.46 2k6b h GLN 46 CO 0.05 0.96 -1.08 0.28 -0.67 0.00 0.00 178.83 178.36 2k6b h VAL 47 N 0.23 1.28 -3.26 -0.54 2.07 -1.29 -3.28 116.25 111.45 2k6b h VAL 47 Ca 0.01 -2.46 -0.59 0.00 0.82 0.00 0.00 66.70 64.48 2k6b h VAL 47 Cb 0.93 2.95 -0.10 0.00 -1.52 0.00 0.00 31.29 33.55 2k6b h VAL 47 CO 0.08 0.69 -0.31 -0.76 0.02 0.00 0.00 177.57 177.29 2k6b s LEU 48 N -7.74 4.26 0.78 2.57 1.43 0.65 0.30 118.68 120.93 2k6b s LEU 48 Ca -0.17 0.55 -0.14 0.00 -1.03 0.00 0.00 54.13 53.34 2k6b s LEU 48 Cb 0.03 -2.40 0.07 0.00 0.03 0.00 0.00 46.19 43.92 2k6b s LEU 48 CO 0.79 0.11 1.19 -0.62 0.23 0.00 0.00 176.35 178.06 2k6b s ASP 49 N 0.35 3.83 0.31 2.29 -1.08 0.02 -4.61 116.67 117.77 2k6b s ASP 49 Ca 0.17 2.32 0.06 0.00 -0.52 0.00 0.00 52.55 54.59 2k6b s ASP 49 Cb -0.13 -2.58 0.76 0.00 -1.46 0.00 0.00 42.92 39.51 2k6b s ASP 49 CO 0.05 -2.50 1.77 -0.61 0.52 0.00 0.00 175.17 174.39 2k6b h GLN 50 N -0.75 0.72 -0.43 4.34 4.15 -1.92 -0.52 115.11 120.70 2k6b h GLN 50 Ca -0.46 -0.04 -0.12 0.00 0.77 0.00 0.00 58.65 58.79 2k6b h GLN 50 Cb 1.29 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 28.80 2k6b h GLN 50 CO 0.47 0.47 -0.22 0.77 -1.93 0.00 0.00 178.83 178.40 2k6b h SER 51 N 0.74 0.87 0.03 -0.69 0.02 -1.92 -1.16 113.55 111.43 2k6b h SER 51 Ca 0.59 -0.32 -0.14 0.00 -0.84 0.00 0.00 61.79 61.08 2k6b h SER 51 Cb 0.95 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.24 2k6b h SER 51 CO -0.40 1.06 -0.46 0.00 -1.14 0.00 0.00 176.83 175.89 2k6b h ALA 52 N 1.01 0.83 0.00 3.77 0.00 -1.41 -1.68 119.26 121.78 2k6b h ALA 52 Ca 0.10 -0.46 -0.13 0.00 0.00 0.00 0.00 54.91 54.42 2k6b h ALA 52 Cb 0.75 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 2k6b h ALA 52 CO 0.06 0.66 -0.60 0.00 0.00 0.00 0.00 179.25 179.37 2k6b h ARG 53 N 0.41 0.00 -0.31 0.00 3.08 -0.95 0.29 114.38 116.90 2k6b h ARG 53 Ca 0.03 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.00 2k6b h ARG 53 Cb 0.96 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.00 2k6b h ARG 53 CO 0.08 0.60 -0.12 0.00 -1.07 0.00 0.00 179.97 179.47 2k6b h ALA 54 N 1.40 0.43 -0.59 0.04 0.00 -0.90 -0.80 119.26 118.83 2k6b h ALA 54 Ca -0.01 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 2k6b h ALA 54 Cb 1.16 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 2k6b h ALA 54 CO 0.08 0.30 0.23 -0.09 0.00 0.00 0.00 179.25 179.77 2k6b h ARG 55 N 0.38 0.89 -0.39 0.00 9.65 -1.03 -1.92 114.38 121.96 2k6b h ARG 55 Ca 0.07 -0.16 0.06 0.00 -1.10 0.00 0.00 59.98 58.84 2k6b h ARG 55 Cb 0.63 -0.14 -0.05 0.00 -1.39 0.00 0.00 29.97 29.02 2k6b h ARG 55 CO 0.04 0.76 0.09 1.25 2.80 0.00 0.00 179.97 184.91 2k6b h LEU 56 N 0.82 0.04 -0.65 3.80 5.85 -0.29 -0.50 115.31 124.39 2k6b h LEU 56 Ca 0.20 0.06 0.02 0.00 0.84 0.00 0.00 57.88 59.00 2k6b h LEU 56 Cb 0.21 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.27 2k6b h LEU 56 CO -0.02 0.06 0.41 0.28 -0.34 0.00 0.00 178.44 178.84 2k6b h SER 57 N 0.23 0.69 -0.64 1.25 0.02 -0.87 -0.95 113.55 113.28 2k6b h SER 57 Ca 0.18 -0.01 0.03 0.00 -0.84 0.00 0.00 61.79 61.15 2k6b h SER 57 Cb 0.21 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 62.55 2k6b h SER 57 CO -0.23 0.49 0.40 -1.13 -1.14 0.00 0.00 176.83 175.22 2k6b h ASN 58 N 0.82 0.65 -0.30 3.07 -1.24 -0.65 -2.13 115.58 115.80 2k6b h ASN 58 Ca 0.25 -0.00 -0.04 0.00 0.71 0.00 0.00 56.30 57.22 2k6b h ASN 58 Cb -0.02 -0.14 -0.02 0.00 0.73 0.00 0.00 38.32 38.87 2k6b h ASN 58 CO -0.09 0.46 0.08 -0.07 -1.29 0.00 0.00 177.43 176.52 2k6b h LEU 59 N 0.78 0.53 -1.57 0.34 -0.00 -0.46 -2.12 115.31 112.82 2k6b h LEU 59 Ca 0.25 -0.08 -0.05 0.00 -0.00 0.00 0.00 57.88 58.01 2k6b h LEU 59 Cb 0.00 -0.14 -0.01 0.00 -0.00 0.00 0.00 40.66 40.52 2k6b h LEU 59 CO -0.10 0.55 -0.22 0.00 -0.00 0.00 0.00 178.44 178.67 2k6b h ALA 60 N 1.53 1.62 0.00 1.53 0.00 -0.53 0.28 119.26 123.69 2k6b h ALA 60 Ca 0.13 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 2k6b h ALA 60 Cb 0.24 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2k6b h ALA 60 CO -0.00 0.27 -0.62 -0.07 0.00 0.00 0.00 179.25 178.83 2k6b h LEU 61 N 0.00 0.00 0.00 0.00 3.38 -1.04 -3.34 115.31 114.31 2k6b h LEU 61 Ca -0.00 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.64 2k6b h LEU 61 Cb 0.39 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.08 2k6b h LEU 61 CO 0.03 0.33 -2.23 1.33 0.09 0.00 0.00 178.44 177.98 2k6b n VAL 62 N -3.06 1.24 -3.16 1.22 0.24 -0.93 -4.91 118.33 108.96 2k6b n VAL 62 Ca 0.00 -0.46 -0.14 0.00 -2.04 0.00 0.00 64.34 61.70 2k6b n VAL 62 Cb 0.68 -1.32 -0.05 0.00 -1.47 0.00 0.00 33.84 31.68 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 -2.43 0.87 0.63 7.34 -2.85 0.95 -5.00 119.74 119.25 2k6b s LYS 63 Ca -0.29 -1.23 0.34 0.00 -1.00 0.00 0.00 55.97 53.79 2k6b s LYS 63 Cb 0.08 -0.63 1.94 0.00 -2.06 0.00 0.00 37.83 37.16 2k6b s LYS 63 CO 0.49 -1.29 2.19 -1.35 0.10 0.00 0.00 175.35 175.48 2k6b h PRO 64 N 5.99 0.00 -0.51 1.78 0.11 -1.68 -1.58 132.00 136.11 2k6b h PRO 64 Ca 0.12 0.00 0.04 0.00 0.11 0.00 0.00 66.00 66.27 2k6b h PRO 64 Cb 1.04 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.11 2k6b h PRO 64 CO 0.18 0.00 0.27 0.93 -0.21 0.00 0.00 178.00 179.16 2k6b h GLU 65 N 0.00 0.50 0.00 1.05 5.08 -1.93 0.84 114.58 120.12 2k6b h GLU 65 Ca 0.03 -0.03 -0.19 0.00 -1.00 0.00 0.00 59.36 58.17 2k6b h GLU 65 Cb 0.27 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 2k6b h GLU 65 CO -0.00 0.33 -0.92 0.87 -1.00 0.00 0.00 179.01 178.29 2k6b h LYS 66 N 0.52 0.00 0.10 2.33 1.79 -1.64 -2.35 116.57 117.32 2k6b h LYS 66 Ca 0.22 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.69 2k6b h LYS 66 Cb 0.12 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.77 2k6b h LYS 66 CO -0.15 0.92 -0.05 1.15 -1.08 0.00 0.00 179.45 180.24 2k6b h THR 67 N 0.00 0.97 -0.25 -0.16 2.02 -1.29 0.14 112.91 114.35 2k6b h THR 67 Ca -0.01 -0.27 -0.03 0.00 0.77 0.00 0.00 66.41 66.87 2k6b h THR 67 Cb 1.63 1.15 -0.01 0.00 -1.74 0.00 0.00 68.15 69.18 2k6b h THR 67 CO 0.12 0.07 0.01 0.50 0.37 0.00 0.00 175.52 176.59 2k6b h LYS 68 N -0.26 0.37 -0.11 6.66 3.64 -0.86 0.26 116.57 126.26 2k6b h LYS 68 Ca -0.01 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.26 2k6b h LYS 68 Cb 0.22 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.97 2k6b h LYS 68 CO 0.02 0.39 -0.11 0.00 -2.27 0.00 0.00 179.45 177.48 2k6b h ALA 69 N 1.66 0.16 -0.45 5.00 0.00 -1.07 -1.16 119.26 123.40 2k6b h ALA 69 Ca 0.08 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.56 2k6b h ALA 69 Cb 0.23 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2k6b h ALA 69 CO 0.00 0.02 -0.22 -0.39 0.00 0.00 0.00 179.25 178.66 2k6b h VAL 70 N -0.13 1.27 -0.12 0.00 -1.51 -0.19 -1.46 116.25 114.11 2k6b h VAL 70 Ca 0.02 -1.37 0.04 0.00 -1.23 0.00 0.00 66.70 64.15 2k6b h VAL 70 Cb 0.64 1.16 -0.04 0.00 -2.13 0.00 0.00 31.29 30.92 2k6b h VAL 70 CO 0.03 0.47 -0.10 -0.33 -1.23 0.00 0.00 177.57 176.40 2k6b h GLU 71 N 0.79 -0.11 -0.67 5.19 5.08 -0.50 0.28 114.58 124.63 2k6b h GLU 71 Ca 0.10 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.54 2k6b h GLU 71 Cb 0.77 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.99 2k6b h GLU 71 CO 0.06 -0.07 0.36 -0.97 -1.00 0.00 0.00 179.01 177.39 2k6b h ASN 72 N -0.11 0.51 -0.15 1.42 -0.73 -1.08 0.69 115.58 116.11 2k6b h ASN 72 Ca 0.08 0.04 -0.02 0.00 1.87 0.00 0.00 56.30 58.27 2k6b h ASN 72 Cb 0.23 -0.05 -0.01 0.00 0.27 0.00 0.00 38.32 38.76 2k6b h ASN 72 CO -0.19 0.32 0.02 0.22 -0.37 0.00 0.00 177.43 177.43 2k6b h TYR 73 N 0.65 0.27 -0.52 0.67 3.20 -0.50 -2.43 116.97 118.31 2k6b h TYR 73 Ca 0.31 -0.04 -0.07 0.00 3.14 0.00 0.00 58.73 62.07 2k6b h TYR 73 Cb 0.25 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.42 2k6b h TYR 73 CO -0.09 0.44 0.05 -0.07 -1.64 0.00 0.00 178.16 176.85 2k6b h LEU 74 N 0.03 0.81 -0.54 2.82 -0.00 -0.01 0.44 115.31 118.86 2k6b h LEU 74 Ca 0.05 -0.18 0.07 0.00 -0.00 0.00 0.00 57.88 57.82 2k6b h LEU 74 Cb 0.31 -0.21 -0.06 0.00 -0.00 0.00 0.00 40.66 40.70 2k6b h LEU 74 CO 0.00 0.84 0.20 0.40 -0.00 0.00 0.00 178.44 179.89 2k6b h ILE 75 N 0.80 0.82 -0.07 1.22 2.04 -0.76 0.06 117.51 121.62 2k6b h ILE 75 Ca 0.16 -0.13 -0.23 0.00 1.00 0.00 0.00 64.86 65.66 2k6b h ILE 75 Cb 0.41 0.40 0.01 0.00 -0.74 0.00 0.00 36.82 36.89 2k6b h ILE 75 CO 0.01 0.07 -0.87 1.56 0.00 0.00 0.00 178.15 178.92 2k6b h GLN 76 N 0.39 0.61 -0.86 2.37 1.08 -0.97 -2.64 115.11 115.09 2k6b h GLN 76 Ca 0.26 -0.56 0.03 0.00 -1.45 0.00 0.00 58.65 56.93 2k6b h GLN 76 Cb 0.29 0.14 -0.05 0.00 -0.05 0.00 0.00 27.48 27.81 2k6b h GLN 76 CO -0.26 1.18 0.56 1.98 -0.95 0.00 0.00 178.83 181.34 2k6b h MET 77 N 0.38 1.07 -0.19 1.46 4.05 0.33 0.11 114.93 122.15 2k6b h MET 77 Ca -0.07 -0.06 -0.11 0.00 -0.28 0.00 0.00 59.70 59.17 2k6b h MET 77 Cb 1.49 -0.24 -0.01 0.00 -0.80 0.00 0.00 31.60 32.04 2k6b h MET 77 CO 0.16 0.71 -0.35 0.00 0.23 0.00 0.00 176.91 177.67 2k6b h ALA 78 N 1.35 1.05 -0.52 0.39 0.00 -1.01 -1.19 119.26 119.32 2k6b h ALA 78 Ca 0.34 -0.39 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 2k6b h ALA 78 Cb -0.04 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2k6b h ALA 78 CO -0.10 0.59 -0.08 -0.09 0.00 0.00 0.00 179.25 179.56 2k6b h ARG 79 N 0.35 0.95 -0.10 0.00 2.43 -0.61 -2.25 114.38 115.15 2k6b h ARG 79 Ca 0.04 -0.33 -0.14 0.00 -0.81 0.00 0.00 59.98 58.75 2k6b h ARG 79 Cb 0.78 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.24 2k6b h ARG 79 CO 0.06 0.99 -0.55 1.88 -1.51 0.00 0.00 179.97 180.84 2k6b h TYR 80 N 0.86 0.37 -0.68 2.20 0.05 -0.66 -3.47 116.97 115.62 2k6b h TYR 80 Ca 0.14 -0.13 0.00 0.00 0.05 0.00 0.00 58.73 58.79 2k6b h TYR 80 Cb 0.62 -0.07 0.00 0.00 1.01 0.00 0.00 36.73 38.29 2k6b h TYR 80 CO 0.04 0.78 0.00 0.41 -1.05 0.00 0.00 178.16 178.34 2k6b n GLY 81 N 0.17 0.96 0.98 3.88 0.00 -0.48 -4.96 105.19 105.74 2k6b n GLY 81 Ca -0.02 -0.50 0.08 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.40 2.30 -4.38 1.61 1.13 -1.02 -4.85 117.38 111.76 2k6b n GLN 82 Ca 0.00 -1.87 -0.25 0.00 -1.94 0.00 0.00 57.00 52.94 2k6b n GLN 82 Cb 0.36 -1.44 -0.10 0.00 0.11 0.00 0.00 30.24 29.17 2k6b n GLN 82 CO 0.00 0.00 0.00 -0.48 -1.44 0.00 0.00 177.06 175.14 2k6b s LEU 83 N -1.06 2.74 -0.17 1.08 2.34 -1.26 -5.05 118.68 117.30 2k6b s LEU 83 Ca 0.35 -0.80 -0.17 0.00 0.06 0.00 0.00 54.13 53.57 2k6b s LEU 83 Cb 0.19 -1.37 -0.06 0.00 -0.56 0.00 0.00 46.19 44.39 2k6b s LEU 83 CO 0.22 0.07 -0.33 -1.20 -1.06 0.00 0.00 176.35 174.06 2k6b n SER 84 N -0.22 1.89 0.00 1.48 7.64 -1.26 -5.11 113.62 118.04 2k6b n SER 84 Ca -0.09 0.32 0.00 0.00 1.01 0.00 0.00 58.87 60.11 2k6b n SER 84 Cb 0.57 -0.72 0.00 0.00 -1.01 0.00 0.00 64.21 63.05 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 -4.41 0.00 -1.69 1.43 1.02 -1.26 -5.07 120.64 110.66 2k6b n GLU 85 Ca -0.13 0.00 -0.44 0.00 -0.02 0.00 0.00 57.16 56.57 2k6b n GLU 85 Cb 0.50 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.88 2k6b n GLU 85 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2k6b n LYS 86 N 0.00 2.59 -3.68 3.49 4.01 -1.24 -4.74 118.16 118.59 2k6b n LYS 86 Ca 0.00 0.94 -0.37 0.00 -0.51 0.00 0.00 58.31 58.37 2k6b n LYS 86 Cb 0.00 -2.80 -0.06 0.00 -0.51 0.00 0.00 35.03 31.66 2k6b n LYS 86 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 2k6b s VAL 87 N 2.34 5.28 0.56 -0.18 1.01 0.15 -4.69 120.40 124.86 2k6b s VAL 87 Ca 0.82 0.51 -0.06 0.00 0.00 0.00 0.00 61.98 63.25 2k6b s VAL 87 Cb -0.55 -3.56 0.12 0.00 0.00 0.00 0.00 36.38 32.40 2k6b s VAL 87 CO 0.39 0.58 0.76 -1.20 0.00 0.00 0.00 175.10 175.62 2k6b n SER 88 N 2.10 0.39 -0.27 3.32 7.64 -1.26 -0.80 113.62 124.73 2k6b n SER 88 Ca -0.17 -1.48 0.01 0.00 1.01 0.00 0.00 58.87 58.24 2k6b n SER 88 Cb 0.53 -0.55 0.13 0.00 -1.01 0.00 0.00 64.21 63.32 2k6b n SER 88 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 2k6b h GLU 89 N 0.00 0.75 -0.73 1.43 5.08 -1.92 -2.68 114.58 116.51 2k6b h GLU 89 Ca -0.25 -0.05 0.06 0.00 -1.00 0.00 0.00 59.36 58.13 2k6b h GLU 89 Cb 0.76 -0.17 -0.06 0.00 0.50 0.00 0.00 28.75 29.79 2k6b h GLU 89 CO 0.21 0.50 0.42 1.96 -1.00 0.00 0.00 179.01 181.09 2k6b h GLN 90 N 0.78 0.74 -0.75 2.33 4.20 -1.99 0.15 115.11 120.57 2k6b h GLN 90 Ca 0.35 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.96 2k6b h GLN 90 Cb 0.25 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 27.83 2k6b h GLN 90 CO -0.21 0.49 0.27 0.78 -0.67 0.00 0.00 178.83 179.49 2k6b h GLY 91 N 0.77 1.23 1.02 3.46 0.00 -1.85 -1.56 103.07 106.13 2k6b h GLY 91 Ca 0.32 -0.70 -0.07 0.00 0.00 0.00 0.00 47.33 46.89 2k6b h GLY 91 CO -0.18 0.66 0.09 -2.00 0.00 0.00 0.00 176.54 175.11 2k6b h LEU 92 N 1.10 0.92 -1.58 3.11 5.85 -1.04 -1.75 115.31 121.91 2k6b h LEU 92 Ca 0.25 -0.26 -0.04 0.00 0.84 0.00 0.00 57.88 58.67 2k6b h LEU 92 Cb 0.26 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 2k6b h LEU 92 CO -0.01 0.94 -0.11 0.40 -0.34 0.00 0.00 178.44 179.32 2k6b h ILE 93 N 0.85 1.13 -0.19 4.05 2.04 -0.40 0.22 117.51 125.21 2k6b h ILE 93 Ca 0.17 -0.59 -0.06 0.00 1.00 0.00 0.00 64.86 65.38 2k6b h ILE 93 Cb 0.42 1.19 -0.00 0.00 -0.74 0.00 0.00 36.82 37.69 2k6b h ILE 93 CO 0.01 0.18 -0.12 -0.33 0.00 0.00 0.00 178.15 177.89 2k6b h GLU 94 N 0.13 0.42 -0.60 2.37 4.39 -0.80 -2.83 114.58 117.66 2k6b h GLU 94 Ca 0.03 -0.20 -0.03 0.00 0.34 0.00 0.00 59.36 59.50 2k6b h GLU 94 Cb 0.28 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.90 2k6b h GLU 94 CO 0.02 0.73 0.24 0.82 -1.16 0.00 0.00 179.01 179.66 2k6b h ILE 95 N 0.10 1.21 -0.83 3.13 2.04 -0.55 -2.40 117.51 120.22 2k6b h ILE 95 Ca 0.04 -0.68 0.05 0.00 1.00 0.00 0.00 64.86 65.27 2k6b h ILE 95 Cb 0.62 0.50 -0.05 0.00 -0.74 0.00 0.00 36.82 37.16 2k6b h ILE 95 CO 0.03 0.27 0.54 0.25 0.00 0.00 0.00 178.15 179.25 2k6b h LEU 96 N 0.86 0.86 -0.42 1.44 5.85 -0.48 -1.93 115.31 121.48 2k6b h LEU 96 Ca 0.20 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.89 2k6b h LEU 96 Cb 0.17 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 2k6b h LEU 96 CO -0.02 0.58 0.16 0.11 -0.34 0.00 0.00 178.44 178.93 2k6b h LYS 97 N 0.99 0.64 0.08 1.25 1.57 -1.18 -1.38 116.57 118.53 2k6b h LYS 97 Ca 0.34 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 2k6b h LYS 97 Cb 0.10 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 2k6b h LYS 97 CO -0.11 0.60 -0.08 0.87 -0.57 0.00 0.00 179.45 180.16 2k6b h LYS 98 N 0.54 -0.17 0.00 3.15 1.57 -1.34 -2.43 116.57 117.88 2k6b h LYS 98 Ca 0.14 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.93 2k6b h LYS 98 Cb 0.21 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.55 2k6b h LYS 98 CO -0.01 -0.11 -0.00 -0.39 -0.57 0.00 0.00 179.45 178.37 2k6b h VAL 99 N -0.18 0.00 0.00 0.50 -1.51 -1.33 0.10 116.25 113.84 2k6b h VAL 99 Ca 0.00 -0.74 -0.08 0.00 -1.23 0.00 0.00 66.70 64.66 2k6b h VAL 99 Cb 0.17 1.74 -0.01 0.00 -2.13 0.00 0.00 31.29 31.06 2k6b h VAL 99 CO -0.02 0.00 -0.37 0.28 -1.23 0.00 0.00 177.57 176.22 2k6b h SER 100 N 0.00 0.00 0.00 4.19 0.02 -0.75 -3.35 113.55 113.66 2k6b h SER 100 Ca -0.00 0.00 -0.37 0.00 -0.84 0.00 0.00 61.79 60.58 2k6b h SER 100 Cb 0.74 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.22 2k6b h SER 100 CO 0.00 0.37 -2.20 0.00 -1.14 0.00 0.00 176.83 173.86 2k6b n GLN 101 N -3.89 0.49 0.00 3.45 1.13 -1.06 -5.04 117.38 112.45 2k6b n GLN 101 Ca -0.01 0.21 0.00 0.00 -1.94 0.00 0.00 57.00 55.26 2k6b n GLN 101 Cb 0.43 -1.32 0.00 0.00 0.11 0.00 0.00 30.24 29.46 2k6b n GLN 101 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 2k6b n GLN 102 N -4.06 0.00 0.00 -1.09 6.02 0.26 -5.08 117.38 113.42 2k6b n GLN 102 Ca -0.44 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.55 2k6b n GLN 102 Cb 0.80 0.00 0.00 0.00 1.02 0.00 0.00 30.24 32.06 2k6b n GLN 102 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 2k6b n THR 103 N 0.00 0.00 -3.90 5.09 -1.04 -0.63 -4.35 114.28 109.45 2k6b n THR 103 Ca 0.00 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.90 2k6b n THR 103 Cb 0.00 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 68.52 2k6b n THR 103 CO 0.00 0.00 0.00 -1.83 -0.64 0.00 0.00 175.07 172.60 2k6b s GLU 104 N -1.73 2.20 -0.39 -2.82 -1.05 -1.26 -4.20 118.70 109.44 2k6b s GLU 104 Ca 0.00 -1.61 0.00 0.00 -0.15 0.00 0.00 54.97 53.21 2k6b s GLU 104 Cb 0.00 0.57 0.00 0.00 -0.44 0.00 0.00 34.13 34.26 2k6b s GLU 104 CO 0.00 -1.00 0.00 1.63 0.95 0.00 0.00 175.26 176.84 2k6b n LYS 105 N -0.56 -1.71 -2.44 -4.83 5.02 -1.26 -4.92 118.16 107.46 2k6b n LYS 105 Ca -0.06 0.59 -0.43 0.00 -2.02 0.00 0.00 58.31 56.39 2k6b n LYS 105 Cb 0.60 -4.93 -0.02 0.00 -0.02 0.00 0.00 35.03 30.66 2k6b n LYS 105 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2k6b s THR 106 N -1.41 4.01 -0.99 -0.18 2.01 -1.26 -4.91 115.64 112.90 2k6b s THR 106 Ca 0.00 1.02 -0.24 0.00 0.31 0.00 0.00 61.69 62.79 2k6b s THR 106 Cb 0.00 -4.36 -0.03 0.00 0.01 0.00 0.00 72.50 68.12 2k6b s THR 106 CO 0.00 -0.87 1.85 -0.89 -0.69 0.00 0.00 174.62 174.03 2k6b s THR 107 N 5.10 3.58 0.00 -0.82 2.01 -1.26 -2.46 115.64 121.79 2k6b s THR 107 Ca 0.56 -0.61 0.00 0.00 0.31 0.00 0.00 61.69 61.95 2k6b s THR 107 Cb -0.11 -4.34 0.00 0.00 0.01 0.00 0.00 72.50 68.06 2k6b s THR 107 CO 0.32 -1.17 0.00 0.41 -0.69 0.00 0.00 174.62 173.49 2k6b n THR 108 N 7.63 0.00 -3.84 -0.82 -1.04 -1.26 -5.07 114.28 109.88 2k6b n THR 108 Ca 0.40 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 62.10 2k6b n THR 108 Cb 0.47 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.94 2k6b n THR 108 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2k6b s VAL 109 N -0.86 5.32 -1.09 12.58 1.01 -1.03 -5.03 120.40 131.29 2k6b s VAL 109 Ca 0.00 -0.28 -0.18 0.00 0.00 0.00 0.00 61.98 61.52 2k6b s VAL 109 Cb 0.00 -3.63 0.11 0.00 0.00 0.00 0.00 36.38 32.85 2k6b s VAL 109 CO 0.00 0.09 1.40 -0.75 0.00 0.00 0.00 175.10 175.85 2k6b s LYS 110 N -2.60 3.80 -0.31 2.72 2.20 -1.26 -4.88 119.74 119.41 2k6b s LYS 110 Ca 0.37 -1.86 -0.28 0.00 -0.36 0.00 0.00 55.97 53.84 2k6b s LYS 110 Cb -0.13 -5.18 0.01 0.00 -1.51 0.00 0.00 37.83 31.02 2k6b s LYS 110 CO 0.27 -1.97 1.00 -0.06 -0.36 0.00 0.00 175.35 174.22 2k6b s PHE 111 N 3.27 3.18 0.00 4.03 0.08 -1.26 -5.19 117.98 122.09 2k6b s PHE 111 Ca 0.43 1.12 0.00 0.00 0.12 0.00 0.00 56.93 58.60 2k6b s PHE 111 Cb -0.01 -3.53 0.00 0.00 -0.57 0.00 0.00 43.02 38.91 2k6b s PHE 111 CO -0.04 -0.69 0.00 0.27 -0.10 0.00 0.00 175.22 174.67