#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yjx s TYR 4 N 0.00 3.44 -0.23 0.00 4.12 -0.48 -4.88 117.35 119.32 1yjx s TYR 4 Ca 0.00 1.31 -0.06 0.00 0.02 0.00 0.00 57.07 58.34 1yjx s TYR 4 Cb 0.00 -3.42 -0.02 0.00 -1.52 0.00 0.00 41.96 37.00 1yjx s TYR 4 CO 0.00 -1.27 0.01 0.15 0.02 0.00 0.00 175.55 174.47 1yjx s LYS 5 N 0.99 3.55 -0.09 -0.62 1.02 -1.26 -0.22 119.74 123.10 1yjx s LYS 5 Ca 0.58 -0.54 0.02 0.00 0.02 0.00 0.00 55.97 56.05 1yjx s LYS 5 Cb -0.30 -3.16 -0.02 0.00 -0.52 0.00 0.00 37.83 33.84 1yjx s LYS 5 CO 0.29 -0.15 -0.15 -1.17 -0.92 0.00 0.00 175.35 173.26 1yjx s LEU 6 N 1.44 2.67 -0.10 3.17 0.20 0.09 -3.99 118.68 122.14 1yjx s LEU 6 Ca 0.05 -0.29 0.03 0.00 0.69 0.00 0.00 54.13 54.61 1yjx s LEU 6 Cb -0.15 -1.57 0.01 0.00 -0.43 0.00 0.00 46.19 44.05 1yjx s LEU 6 CO 0.01 0.24 -0.19 -0.69 -0.29 0.00 0.00 176.35 175.43 1yjx s VAL 7 N -0.11 1.76 0.13 1.68 1.01 -0.96 0.20 120.40 124.11 1yjx s VAL 7 Ca -0.02 -0.82 0.08 0.00 0.00 0.00 0.00 61.98 61.22 1yjx s VAL 7 Cb -0.14 -1.56 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 1yjx s VAL 7 CO 0.04 0.49 -0.13 -0.76 0.00 0.00 0.00 175.10 174.73 1yjx s LEU 8 N 0.65 2.87 -0.16 3.92 1.43 0.13 -0.85 118.68 126.68 1yjx s LEU 8 Ca -0.13 -0.52 -0.06 0.00 -1.03 0.00 0.00 54.13 52.39 1yjx s LEU 8 Cb -0.16 -1.66 0.07 0.00 0.03 0.00 0.00 46.19 44.47 1yjx s LEU 8 CO 0.03 0.16 0.36 -0.51 0.23 0.00 0.00 176.35 176.61 1yjx s ILE 9 N -1.32 -0.42 -0.14 -0.59 2.07 0.10 0.59 121.20 121.48 1yjx s ILE 9 Ca 0.21 0.19 -0.19 0.00 -1.41 0.00 0.00 60.65 59.44 1yjx s ILE 9 Cb -0.10 -0.56 -0.04 0.00 0.13 0.00 0.00 42.46 41.89 1yjx s ILE 9 CO 0.13 0.08 0.54 -0.60 -1.91 0.00 0.00 174.94 173.18 1yjx s ARG 10 N 2.24 4.30 0.71 3.50 3.52 -1.26 -1.59 118.95 130.36 1yjx s ARG 10 Ca -0.03 0.53 -0.16 0.00 -0.13 0.00 0.00 55.73 55.94 1yjx s ARG 10 Cb -0.11 -3.49 0.00 0.00 -1.56 0.00 0.00 34.95 29.80 1yjx s ARG 10 CO -0.11 0.02 1.03 -2.39 -0.81 0.00 0.00 175.30 173.04 1yjx n HIS 11 N 4.14 0.92 -0.91 5.12 1.44 -0.99 0.20 115.22 125.14 1yjx n HIS 11 Ca -0.05 0.40 0.00 0.00 -2.01 0.00 0.00 57.72 56.06 1yjx n HIS 11 Cb 0.51 -2.12 0.00 0.00 0.12 0.00 0.00 29.99 28.50 1yjx n HIS 11 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1yjx n GLY 12 N 1.05 -0.29 3.58 -1.39 0.00 -1.26 -4.30 105.19 102.58 1yjx n GLY 12 Ca 0.14 -1.74 -0.49 0.00 0.00 0.00 0.00 46.02 43.92 1yjx n GLY 12 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1yjx n GLU 13 N -0.46 1.21 -3.73 1.61 2.13 -1.26 -4.86 120.64 115.27 1yjx n GLU 13 Ca 0.00 0.43 -0.22 0.00 0.66 0.00 0.00 57.16 58.03 1yjx n GLU 13 Cb 0.00 -1.96 -0.04 0.00 0.27 0.00 0.00 31.44 29.71 1yjx n GLU 13 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 1yjx s SER 14 N 0.09 4.93 0.25 4.31 1.04 -1.26 -0.87 113.70 122.19 1yjx s SER 14 Ca 0.75 -0.78 -0.03 0.00 0.48 0.00 0.00 55.95 56.36 1yjx s SER 14 Cb -0.86 -0.61 0.41 0.00 0.10 0.00 0.00 66.02 65.07 1yjx s SER 14 CO 0.51 -0.57 1.82 0.00 0.98 0.00 0.00 173.24 175.98 1yjx h ALA 15 N 1.16 1.25 0.00 5.32 0.00 -0.51 0.30 119.26 126.78 1yjx h ALA 15 Ca -0.42 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 1yjx h ALA 15 Cb 1.26 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 1yjx h ALA 15 CO 0.60 0.17 -0.05 -1.49 0.00 0.00 0.00 179.25 178.48 1yjx h TRP 16 N 0.88 0.00 -0.19 0.00 4.06 -1.92 -2.96 115.95 115.82 1yjx h TRP 16 Ca 0.41 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 61.35 1yjx h TRP 16 Cb 0.34 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.49 1yjx h TRP 16 CO -0.04 0.05 0.07 -0.91 -3.56 0.00 0.00 178.44 174.05 1yjx h ASN 17 N 0.00 0.27 0.25 -3.49 2.35 -1.19 -0.47 115.58 113.29 1yjx h ASN 17 Ca -0.00 -0.18 0.00 0.00 -0.55 0.00 0.00 56.30 55.57 1yjx h ASN 17 Cb 0.80 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 39.10 1yjx h ASN 17 CO 0.01 0.38 -0.03 0.00 -1.65 0.00 0.00 177.43 176.13 1yjx n LEU 18 N -4.83 0.24 -0.56 1.61 -0.00 -1.10 -1.56 117.00 110.80 1yjx n LEU 18 Ca -0.04 0.04 0.13 0.00 -0.00 0.00 0.00 56.01 56.14 1yjx n LEU 18 Cb 0.13 -0.13 0.26 0.00 -0.00 0.00 0.00 43.42 43.68 1yjx n LEU 18 CO 0.35 0.04 0.63 -0.62 -0.00 0.00 0.00 177.39 177.79 1yjx n GLU 19 N -0.98 1.56 -3.63 1.47 1.02 -0.93 -4.96 120.64 114.20 1yjx n GLU 19 Ca 0.18 -1.14 -0.21 0.00 -0.02 0.00 0.00 57.16 55.98 1yjx n GLU 19 Cb 0.21 -1.48 0.05 0.00 -0.02 0.00 0.00 31.44 30.21 1yjx n GLU 19 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1yjx n ASN 20 N 0.27 -2.26 -4.45 1.62 4.05 -0.49 -4.89 115.26 109.11 1yjx n ASN 20 Ca 0.14 -0.73 -0.26 0.00 0.45 0.00 0.00 54.58 54.18 1yjx n ASN 20 Cb 0.45 -4.47 -0.11 0.00 1.23 0.00 0.00 39.78 36.88 1yjx n ASN 20 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 177.26 174.08 1yjx s ARG 21 N -5.88 1.61 -0.11 1.20 0.52 -0.31 -0.77 118.95 115.22 1yjx s ARG 21 Ca 0.12 -1.57 -0.30 0.00 -0.52 0.00 0.00 55.73 53.47 1yjx s ARG 21 Cb -0.06 -1.85 -0.02 0.00 0.52 0.00 0.00 34.95 33.54 1yjx s ARG 21 CO 0.78 0.38 1.10 -0.06 0.02 0.00 0.00 175.30 177.52 1yjx s PHE 22 N -1.89 3.33 -0.19 -0.53 0.08 -0.56 -4.62 117.98 113.60 1yjx s PHE 22 Ca 0.23 1.40 -0.15 0.00 0.12 0.00 0.00 56.93 58.54 1yjx s PHE 22 Cb -0.07 -3.30 -0.09 0.00 -0.57 0.00 0.00 43.02 38.98 1yjx s PHE 22 CO 0.12 -0.74 -0.15 0.43 -0.10 0.00 0.00 175.22 174.77 1yjx n SER 23 N 5.36 1.88 0.00 1.36 7.64 -1.26 0.54 113.62 129.13 1yjx n SER 23 Ca 0.10 0.46 0.00 0.00 1.01 0.00 0.00 58.87 60.44 1yjx n SER 23 Cb 0.47 -0.86 0.00 0.00 -1.01 0.00 0.00 64.21 62.82 1yjx n SER 23 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1yjx n GLY 24 N 1.47 4.08 0.15 0.23 0.00 -1.26 -0.58 105.19 109.27 1yjx n GLY 24 Ca -0.23 0.08 0.14 0.00 0.00 0.00 0.00 46.02 46.01 1yjx n GLY 24 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1yjx n TRP 25 N 14.00 0.00 -1.84 1.61 7.02 -1.26 -4.59 117.44 132.38 1yjx n TRP 25 Ca 0.00 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.06 1yjx n TRP 25 Cb 0.00 -0.13 -0.02 0.00 -2.42 0.00 0.00 31.31 28.73 1yjx n TRP 25 CO 0.00 0.00 0.00 -0.47 -2.02 0.00 0.00 177.69 175.20 1yjx s TYR 26 N -2.35 2.89 -0.81 -5.99 5.04 0.25 -4.83 117.35 111.55 1yjx s TYR 26 Ca 0.33 0.69 -0.08 0.00 -2.44 0.00 0.00 57.07 55.57 1yjx s TYR 26 Cb 0.20 -4.02 -0.17 0.00 0.35 0.00 0.00 41.96 38.33 1yjx s TYR 26 CO 0.44 -3.57 3.19 -3.47 -1.34 0.00 0.00 175.55 170.81 1yjx n ASP 27 N 2.96 6.81 -4.77 4.32 2.03 -1.26 -4.94 116.55 121.70 1yjx n ASP 27 Ca 0.11 -2.50 -0.39 0.00 0.52 0.00 0.00 54.79 52.53 1yjx n ASP 27 Cb 0.38 -1.45 -0.00 0.00 -0.72 0.00 0.00 41.12 39.33 1yjx n ASP 27 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1yjx s ALA 28 N 1.70 3.25 0.56 -1.67 0.00 -1.26 -4.76 121.76 119.58 1yjx s ALA 28 Ca 0.66 1.25 -0.02 0.00 0.00 0.00 0.00 51.96 53.85 1yjx s ALA 28 Cb 0.24 -3.49 0.02 0.00 0.00 0.00 0.00 23.12 19.89 1yjx s ALA 28 CO -0.03 -0.85 0.81 0.34 0.00 0.00 0.00 175.76 176.03 1yjx s ASP 29 N -0.73 5.39 0.57 0.00 -1.08 -1.26 -3.48 116.67 116.08 1yjx s ASP 29 Ca 0.57 0.27 -0.18 0.00 -0.52 0.00 0.00 52.55 52.69 1yjx s ASP 29 Cb -0.38 -1.23 -0.04 0.00 -1.46 0.00 0.00 42.92 39.80 1yjx s ASP 29 CO 0.49 -1.09 1.12 -0.76 0.52 0.00 0.00 175.17 175.45 1yjx s LEU 30 N -4.83 3.66 0.55 -1.34 1.43 -1.26 0.14 118.68 117.03 1yjx s LEU 30 Ca 0.55 2.13 -0.04 0.00 -1.03 0.00 0.00 54.13 55.74 1yjx s LEU 30 Cb -0.10 -4.57 0.01 0.00 0.03 0.00 0.00 46.19 41.55 1yjx s LEU 30 CO 0.41 -1.32 0.83 -0.94 0.23 0.00 0.00 176.35 175.56 1yjx s SER 31 N -1.98 5.59 0.25 2.29 1.04 -0.05 -4.40 113.70 116.43 1yjx s SER 31 Ca 0.71 0.52 -0.04 0.00 0.48 0.00 0.00 55.95 57.62 1yjx s SER 31 Cb -0.23 -1.56 0.47 0.00 0.10 0.00 0.00 66.02 64.80 1yjx s SER 31 CO 0.30 -1.00 1.73 -0.65 0.98 0.00 0.00 173.24 174.61 1yjx h PRO 32 N -0.02 0.45 -0.34 4.02 0.11 -1.96 0.93 132.00 135.20 1yjx h PRO 32 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1yjx h PRO 32 Cb 1.26 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 1yjx h PRO 32 CO 0.59 0.30 0.22 0.00 -0.21 0.00 0.00 178.00 178.90 1yjx h ALA 33 N 1.55 0.43 -0.75 -0.75 0.00 -1.93 -0.25 119.26 117.56 1yjx h ALA 33 Ca 0.42 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.34 1yjx h ALA 33 Cb 0.63 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1yjx h ALA 33 CO -0.40 -0.11 0.50 0.78 0.00 0.00 0.00 179.25 180.02 1yjx h GLY 34 N 0.46 1.05 0.89 0.00 0.00 -1.08 0.63 103.07 105.02 1yjx h GLY 34 Ca 0.12 -0.37 -0.05 0.00 0.00 0.00 0.00 47.33 47.04 1yjx h GLY 34 CO -0.03 0.32 0.00 0.84 0.00 0.00 0.00 176.54 177.68 1yjx h HIS 35 N 0.93 0.60 -0.96 5.60 6.17 -0.31 -2.45 115.15 124.73 1yjx h HIS 35 Ca 0.30 -0.10 0.03 0.00 0.71 0.00 0.00 60.37 61.31 1yjx h HIS 35 Cb 0.03 -0.16 -0.05 0.00 2.52 0.00 0.00 27.41 29.75 1yjx h HIS 35 CO -0.00 0.68 0.63 1.49 0.71 0.00 0.00 177.93 181.44 1yjx h GLU 36 N 0.36 1.18 -0.10 5.26 4.57 0.09 -1.07 114.58 124.87 1yjx h GLU 36 Ca 0.09 -0.07 0.02 0.00 -1.18 0.00 0.00 59.36 58.22 1yjx h GLU 36 Cb 0.44 -0.27 -0.02 0.00 -0.16 0.00 0.00 28.75 28.74 1yjx h GLU 36 CO 0.02 0.78 -0.04 0.93 -1.18 0.00 0.00 179.01 179.51 1yjx h GLU 37 N 1.21 -0.03 -0.64 1.92 5.08 -0.62 0.12 114.58 121.62 1yjx h GLU 37 Ca 0.38 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.79 1yjx h GLU 37 Cb -0.00 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.20 1yjx h GLU 37 CO -0.11 -0.02 0.35 0.00 -1.00 0.00 0.00 179.01 178.23 1yjx h ALA 38 N 1.06 0.84 -0.13 3.43 0.00 -0.92 0.11 119.26 123.66 1yjx h ALA 38 Ca 0.06 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.00 1yjx h ALA 38 Cb 0.12 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1yjx h ALA 38 CO -0.12 0.03 0.00 -0.22 0.00 0.00 0.00 179.25 178.94 1yjx h LYS 39 N 0.66 0.05 -0.73 0.00 3.64 -0.46 0.24 116.57 119.97 1yjx h LYS 39 Ca 0.28 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.66 1yjx h LYS 39 Cb 0.16 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.94 1yjx h LYS 39 CO -0.17 0.03 0.44 0.00 -2.27 0.00 0.00 179.45 177.48 1yjx h ARG 40 N 0.05 0.99 0.72 1.90 3.08 -0.22 -1.28 114.38 119.62 1yjx h ARG 40 Ca 0.06 -0.09 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 1yjx h ARG 40 Cb 0.07 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 29.91 1yjx h ARG 40 CO -0.10 0.70 -0.36 0.78 -1.07 0.00 0.00 179.97 179.92 1yjx h GLY 41 N 1.00 -1.04 -0.28 0.04 0.00 -0.16 -2.03 103.07 100.59 1yjx h GLY 41 Ca 0.26 0.40 0.16 0.00 0.00 0.00 0.00 47.33 48.15 1yjx h GLY 41 CO -0.05 -0.38 0.02 -1.33 0.00 0.00 0.00 176.54 174.80 1yjx h GLY 42 N -0.99 0.82 0.17 4.60 0.00 -0.37 0.41 103.07 107.71 1yjx h GLY 42 Ca -0.10 0.09 0.15 0.00 0.00 0.00 0.00 47.33 47.48 1yjx h GLY 42 CO 0.15 -0.26 0.41 -1.61 0.00 0.00 0.00 176.54 175.22 1yjx h GLN 43 N 0.12 0.55 -0.15 4.80 4.15 -0.90 0.12 115.11 123.80 1yjx h GLN 43 Ca 0.39 -0.03 0.01 0.00 0.77 0.00 0.00 58.65 59.79 1yjx h GLN 43 Cb 0.68 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 28.24 1yjx h GLN 43 CO -0.63 0.36 0.06 0.00 -1.93 0.00 0.00 178.83 176.70 1yjx h ALA 44 N 1.57 0.17 -0.95 3.38 0.00 0.52 0.79 119.26 124.74 1yjx h ALA 44 Ca 0.46 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.38 1yjx h ALA 44 Cb 0.69 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.42 1yjx h ALA 44 CO -0.39 -0.38 0.58 -0.07 0.00 0.00 0.00 179.25 179.00 1yjx h LEU 45 N 0.14 1.13 -0.23 0.00 3.38 -0.57 0.08 115.31 119.24 1yjx h LEU 45 Ca 0.06 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1yjx h LEU 45 Cb 0.02 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 1yjx h LEU 45 CO -0.05 0.86 0.13 -0.09 0.09 0.00 0.00 178.44 179.37 1yjx h ARG 46 N 1.30 0.32 -0.61 1.13 1.12 -0.19 -0.37 114.38 117.08 1yjx h ARG 46 Ca 0.34 -0.04 -0.06 0.00 -1.11 0.00 0.00 59.98 59.11 1yjx h ARG 46 Cb -0.07 -0.06 -0.03 0.00 -0.01 0.00 0.00 29.97 29.80 1yjx h ARG 46 CO -0.07 0.29 0.13 -0.44 -3.11 0.00 0.00 179.97 176.77 1yjx h ASP 47 N 0.27 0.92 0.19 -3.80 3.32 -0.42 -0.75 116.42 116.15 1yjx h ASP 47 Ca 0.08 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 56.94 1yjx h ASP 47 Cb 0.06 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.36 1yjx h ASP 47 CO -0.01 0.90 0.00 0.00 -1.72 0.00 0.00 179.24 178.41 1yjx n ALA 48 N -2.46 2.44 -3.50 3.45 0.00 -0.02 -4.90 120.51 115.51 1yjx n ALA 48 Ca 0.04 -0.15 -0.24 0.00 0.00 0.00 0.00 53.44 53.09 1yjx n ALA 48 Cb 0.26 -1.44 0.06 0.00 0.00 0.00 0.00 19.45 18.33 1yjx n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yjx n GLY 49 N 0.80 -0.54 3.78 0.00 0.00 -0.27 -4.97 105.19 103.99 1yjx n GLY 49 Ca 0.17 0.22 -0.37 0.00 0.00 0.00 0.00 46.02 46.05 1yjx n GLY 49 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1yjx s TYR 50 N -3.28 3.21 -0.02 1.61 1.51 -0.49 -5.03 117.35 114.85 1yjx s TYR 50 Ca 0.53 1.62 0.04 0.00 -1.01 0.00 0.00 57.07 58.25 1yjx s TYR 50 Cb -0.24 -3.20 -0.01 0.00 -0.11 0.00 0.00 41.96 38.40 1yjx s TYR 50 CO 0.66 -0.82 -0.14 -1.21 -1.11 0.00 0.00 175.55 172.92 1yjx s GLU 51 N -2.43 1.34 0.33 -0.62 2.02 -1.26 -4.88 118.70 113.22 1yjx s GLU 51 Ca 0.58 -0.51 0.08 0.00 0.02 0.00 0.00 54.97 55.13 1yjx s GLU 51 Cb -0.25 -1.24 -0.06 0.00 0.10 0.00 0.00 34.13 32.68 1yjx s GLU 51 CO 0.31 0.25 -0.05 -0.06 0.02 0.00 0.00 175.26 175.73 1yjx s PHE 52 N -0.11 2.24 -0.00 1.61 0.40 -1.26 -4.81 117.98 116.05 1yjx s PHE 52 Ca 0.01 -0.63 0.01 0.00 -0.60 0.00 0.00 56.93 55.71 1yjx s PHE 52 Cb -0.08 -1.35 -0.01 0.00 0.51 0.00 0.00 43.02 42.08 1yjx s PHE 52 CO 0.01 0.42 0.01 -0.25 0.70 0.00 0.00 175.22 176.10 1yjx n ASP 53 N -0.75 4.84 -3.62 1.36 8.00 0.19 -4.91 116.55 121.67 1yjx n ASP 53 Ca -0.05 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.29 1yjx n ASP 53 Cb 0.64 0.89 -0.07 0.00 -0.02 0.00 0.00 41.12 42.56 1yjx n ASP 53 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1yjx s ILE 54 N -2.04 0.02 0.07 0.53 2.07 -1.23 -4.28 121.20 116.34 1yjx s ILE 54 Ca -0.00 -0.14 0.08 0.00 -1.41 0.00 0.00 60.65 59.17 1yjx s ILE 54 Cb 0.00 -0.86 -0.03 0.00 0.13 0.00 0.00 42.46 41.71 1yjx s ILE 54 CO 0.03 -0.08 -0.21 0.00 -1.91 0.00 0.00 174.94 172.78 1yjx s PHE 56 N -0.98 1.25 0.32 0.00 0.40 -0.47 -0.32 117.98 118.18 1yjx s PHE 56 Ca 0.07 -0.30 -0.06 0.00 -0.60 0.00 0.00 56.93 56.05 1yjx s PHE 56 Cb -0.09 -0.84 0.00 0.00 0.51 0.00 0.00 43.02 42.60 1yjx s PHE 56 CO 0.03 -0.08 0.48 -0.08 0.70 0.00 0.00 175.22 176.27 1yjx s THR 57 N -0.05 0.00 0.00 0.64 -1.32 -0.45 -1.39 115.64 113.06 1yjx s THR 57 Ca 0.00 -1.53 0.00 0.00 -1.21 0.00 0.00 61.69 58.95 1yjx s THR 57 Cb -0.08 -2.56 0.00 0.00 -1.51 0.00 0.00 72.50 68.35 1yjx s THR 57 CO 0.00 0.00 0.00 -1.54 -2.21 0.00 0.00 174.62 170.87 1yjx n SER 58 N -1.14 0.00 -1.18 8.08 3.41 -1.25 -1.25 113.62 120.29 1yjx n SER 58 Ca -0.00 -0.59 -0.00 0.00 -0.26 0.00 0.00 58.87 58.02 1yjx n SER 58 Cb 0.62 0.00 0.23 0.00 -0.26 0.00 0.00 64.21 64.80 1yjx n SER 58 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1yjx n VAL 59 N -1.06 2.52 -4.54 -3.33 0.24 -1.24 -3.99 118.33 106.93 1yjx n VAL 59 Ca 0.00 -2.23 -0.33 0.00 -2.04 0.00 0.00 64.34 59.73 1yjx n VAL 59 Cb 0.00 -0.31 -0.14 0.00 -1.47 0.00 0.00 33.84 31.93 1yjx n VAL 59 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1yjx s GLN 60 N -3.05 3.47 0.07 7.34 -0.21 -1.26 -5.04 119.66 120.98 1yjx s GLN 60 Ca 0.45 -0.62 -0.13 0.00 0.02 0.00 0.00 55.36 55.08 1yjx s GLN 60 Cb 0.39 -2.77 -0.03 0.00 1.00 0.00 0.00 33.01 31.60 1yjx s GLN 60 CO 0.05 0.17 1.03 1.63 -2.12 0.00 0.00 175.29 176.05 1yjx n LYS 61 N 3.69 -0.18 -0.38 2.91 5.02 -1.26 -1.20 118.16 126.76 1yjx n LYS 61 Ca -0.18 1.01 0.29 0.00 -2.02 0.00 0.00 58.31 57.42 1yjx n LYS 61 Cb 0.52 -1.50 0.56 0.00 -0.02 0.00 0.00 35.03 34.59 1yjx n LYS 61 CO 0.00 0.00 0.00 0.07 -0.52 0.00 0.00 177.40 176.95 1yjx h ARG 62 N 0.00 0.24 0.01 1.97 0.11 -1.89 0.93 114.38 115.76 1yjx h ARG 62 Ca 0.07 -0.01 -0.05 0.00 0.10 0.00 0.00 59.98 60.08 1yjx h ARG 62 Cb 0.17 -0.05 -0.00 0.00 1.11 0.00 0.00 29.97 31.19 1yjx h ARG 62 CO -0.39 0.16 -0.28 0.00 0.10 0.00 0.00 179.97 179.57 1yjx h ALA 63 N 1.65 0.04 -0.22 0.08 0.00 -1.48 -2.84 119.26 116.49 1yjx h ALA 63 Ca 0.71 -0.64 0.04 0.00 0.00 0.00 0.00 54.91 55.03 1yjx h ALA 63 Cb 1.99 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 19.87 1yjx h ALA 63 CO -0.40 0.15 -0.04 0.82 0.00 0.00 0.00 179.25 179.79 1yjx h ILE 64 N -0.95 0.80 -0.44 0.00 2.04 0.02 0.47 117.51 119.45 1yjx h ILE 64 Ca -0.07 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 1yjx h ILE 64 Cb 1.10 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 37.93 1yjx h ILE 64 CO -0.02 0.00 0.25 -0.09 0.00 0.00 0.00 178.15 178.29 1yjx h ARG 65 N 0.02 0.60 -0.46 2.37 2.43 0.70 0.11 114.38 120.15 1yjx h ARG 65 Ca 0.11 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.20 1yjx h ARG 65 Cb 0.15 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 1yjx h ARG 65 CO -0.21 0.43 0.19 1.15 -1.51 0.00 0.00 179.97 180.02 1yjx h THR 66 N 0.61 1.20 0.11 0.20 2.02 -0.97 -0.36 112.91 115.72 1yjx h THR 66 Ca 0.16 -0.62 0.00 0.00 0.77 0.00 0.00 66.41 66.72 1yjx h THR 66 Cb -0.00 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 1yjx h THR 66 CO -0.03 0.23 -0.09 0.25 0.37 0.00 0.00 175.52 176.25 1yjx h LEU 67 N 0.60 -0.24 -0.41 2.58 6.46 0.62 -1.07 115.31 123.86 1yjx h LEU 67 Ca 0.15 0.02 0.07 0.00 -0.12 0.00 0.00 57.88 58.00 1yjx h LEU 67 Cb 0.18 0.08 -0.06 0.00 -0.73 0.00 0.00 40.66 40.14 1yjx h LEU 67 CO -0.01 -0.15 0.05 -0.50 -0.62 0.00 0.00 178.44 177.21 1yjx h TRP 68 N -0.22 0.08 -0.64 1.25 4.06 -0.67 0.16 115.95 119.97 1yjx h TRP 68 Ca 0.00 0.03 0.02 0.00 2.06 0.00 0.00 58.89 61.00 1yjx h TRP 68 Cb 0.20 0.03 -0.04 0.00 -1.00 0.00 0.00 29.16 28.35 1yjx h TRP 68 CO -0.11 -0.02 0.40 1.15 -3.56 0.00 0.00 178.44 176.31 1yjx h THR 69 N 0.17 1.10 -0.00 1.49 2.02 -0.74 0.07 112.91 117.02 1yjx h THR 69 Ca 0.20 -0.27 -0.00 0.00 0.77 0.00 0.00 66.41 67.10 1yjx h THR 69 Cb 0.26 0.23 -0.00 0.00 -1.74 0.00 0.00 68.15 66.90 1yjx h THR 69 CO -0.28 0.15 0.00 0.58 0.37 0.00 0.00 175.52 176.33 1yjx h VAL 70 N 0.80 1.17 -0.97 3.16 2.07 -0.37 -0.52 116.25 121.59 1yjx h VAL 70 Ca 0.25 -0.49 0.08 0.00 0.82 0.00 0.00 66.70 67.36 1yjx h VAL 70 Cb -0.00 1.50 -0.07 0.00 -1.52 0.00 0.00 31.29 31.19 1yjx h VAL 70 CO -0.09 0.13 0.61 -0.07 0.02 0.00 0.00 177.57 178.17 1yjx h LEU 71 N -0.20 0.95 -0.11 2.57 3.38 -0.44 -0.56 115.31 120.89 1yjx h LEU 71 Ca 0.00 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1yjx h LEU 71 Cb 0.21 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1yjx h LEU 71 CO -0.00 0.58 0.05 -0.78 0.09 0.00 0.00 178.44 178.38 1yjx h ASP 72 N 1.07 0.15 -0.96 -0.43 -0.00 -0.81 0.92 116.42 116.36 1yjx h ASP 72 Ca 0.44 -0.13 0.06 0.00 -0.00 0.00 0.00 57.03 57.40 1yjx h ASP 72 Cb 0.26 -0.04 -0.07 0.00 -0.00 0.00 0.00 39.33 39.49 1yjx h ASP 72 CO -0.20 0.24 0.61 0.00 -0.00 0.00 0.00 179.24 179.89 1yjx h ALA 73 N 0.91 1.32 -0.50 -0.78 0.00 -0.07 -2.34 119.26 117.82 1yjx h ALA 73 Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1yjx h ALA 73 Cb 0.13 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1yjx h ALA 73 CO -0.00 0.39 0.00 0.44 0.00 0.00 0.00 179.25 180.07 1yjx n ILE 74 N -4.54 2.05 -3.90 0.00 -5.35 -0.32 -4.81 119.36 102.49 1yjx n ILE 74 Ca 0.14 -1.10 -0.31 0.00 -0.27 0.00 0.00 62.75 61.22 1yjx n ILE 74 Cb 0.18 -0.21 0.00 0.00 -1.74 0.00 0.00 39.64 37.88 1yjx n ILE 74 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 1yjx n ASP 75 N 0.63 -2.52 -2.76 7.28 4.64 -0.79 -4.91 116.55 118.13 1yjx n ASP 75 Ca 0.22 -1.07 -0.00 0.00 -1.38 0.00 0.00 54.79 52.56 1yjx n ASP 75 Cb 0.95 -2.88 0.05 0.00 -1.04 0.00 0.00 41.12 38.20 1yjx n ASP 75 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1yjx n GLN 76 N -4.43 1.68 0.22 -0.67 6.02 0.25 -4.86 117.38 115.59 1yjx n GLN 76 Ca -0.21 -3.45 0.15 0.00 -0.01 0.00 0.00 57.00 53.49 1yjx n GLN 76 Cb 0.64 -1.54 0.73 0.00 1.02 0.00 0.00 30.24 31.08 1yjx n GLN 76 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.06 176.57 1yjx h MET 77 N 2.52 0.00 -0.00 -1.09 2.86 -1.91 -1.94 114.93 115.37 1yjx h MET 77 Ca -0.14 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.50 1yjx h MET 77 Cb 1.31 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.97 1yjx h MET 77 CO 0.19 0.00 -0.03 -2.67 1.06 0.00 0.00 176.91 175.46 1yjx n TRP 78 N -2.63 0.00 -1.82 -0.22 4.27 -1.26 -4.88 117.44 110.90 1yjx n TRP 78 Ca -0.00 0.00 -0.39 0.00 -3.89 0.00 0.00 57.50 53.21 1yjx n TRP 78 Cb 0.16 -0.48 0.02 0.00 -1.36 0.00 0.00 31.31 29.66 1yjx n TRP 78 CO 0.00 0.00 0.00 -0.51 -2.29 0.00 0.00 177.69 174.89 1yjx s LEU 79 N -2.98 4.04 0.28 5.67 1.43 -0.73 -4.95 118.68 121.44 1yjx s LEU 79 Ca 0.14 2.85 -0.29 0.00 -1.03 0.00 0.00 54.13 55.80 1yjx s LEU 79 Cb 0.19 -4.04 -0.10 0.00 0.03 0.00 0.00 46.19 42.27 1yjx s LEU 79 CO 0.54 -1.27 1.11 -2.16 0.23 0.00 0.00 176.35 174.80 1yjx s PRO 80 N -2.58 4.62 0.01 1.29 0.04 -1.26 -4.90 135.00 132.22 1yjx s PRO 80 Ca 0.64 1.83 0.06 0.00 0.04 0.00 0.00 61.00 63.57 1yjx s PRO 80 Cb -0.42 -3.18 -0.02 0.00 0.04 0.00 0.00 34.50 30.92 1yjx s PRO 80 CO 0.53 0.18 -0.18 0.14 0.04 0.00 0.00 177.00 177.72 1yjx s VAL 81 N -1.16 1.41 -0.14 -0.36 -7.23 -1.26 -1.43 120.40 110.22 1yjx s VAL 81 Ca 0.45 -0.90 0.02 0.00 -1.81 0.00 0.00 61.98 59.74 1yjx s VAL 81 Cb -0.33 -1.20 0.01 0.00 0.56 0.00 0.00 36.38 35.42 1yjx s VAL 81 CO 0.42 0.28 -0.21 -0.69 -0.31 0.00 0.00 175.10 174.59 1yjx s VAL 82 N -0.58 2.01 0.02 1.32 1.01 0.57 -4.96 120.40 119.80 1yjx s VAL 82 Ca 0.06 -0.94 -0.01 0.00 0.00 0.00 0.00 61.98 61.09 1yjx s VAL 82 Cb -0.07 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 34.48 1yjx s VAL 82 CO 0.00 0.54 0.17 -0.13 0.00 0.00 0.00 175.10 175.69 1yjx s ARG 83 N 0.90 3.37 -0.26 2.72 0.52 -1.26 -1.34 118.95 123.60 1yjx s ARG 83 Ca -0.05 -0.40 -0.19 0.00 -0.52 0.00 0.00 55.73 54.57 1yjx s ARG 83 Cb -0.15 -3.03 0.07 0.00 0.52 0.00 0.00 34.95 32.36 1yjx s ARG 83 CO -0.04 0.64 0.66 -0.08 0.02 0.00 0.00 175.30 176.51 1yjx s THR 84 N -1.38 -0.00 0.41 0.02 -1.32 -0.38 -4.95 115.64 108.04 1yjx s THR 84 Ca 0.30 0.01 0.36 0.00 -1.21 0.00 0.00 61.69 61.14 1yjx s THR 84 Cb -0.13 -0.93 0.39 0.00 -1.51 0.00 0.00 72.50 70.32 1yjx s THR 84 CO 0.22 0.00 2.16 4.11 -2.21 0.00 0.00 174.62 178.90 1yjx h TRP 85 N 6.03 0.00 0.00 9.09 5.08 -1.89 -2.16 115.95 132.10 1yjx h TRP 85 Ca -0.30 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.67 1yjx h TRP 85 Cb 1.19 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.35 1yjx h TRP 85 CO 0.24 0.03 0.00 0.54 -1.28 0.00 0.00 178.44 177.97 1yjx n ARG 86 N -3.24 0.14 -0.20 0.12 1.74 -1.26 -0.46 116.66 113.50 1yjx n ARG 86 Ca -0.01 0.54 0.10 0.00 -0.77 0.00 0.00 57.85 57.70 1yjx n ARG 86 Cb 0.20 -1.88 0.20 0.00 -1.02 0.00 0.00 32.46 29.96 1yjx n ARG 86 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1yjx n LEU 87 N -2.17 3.27 -4.60 0.55 4.77 -0.81 -3.75 117.00 114.27 1yjx n LEU 87 Ca 0.00 -1.65 -0.31 0.00 -0.03 0.00 0.00 56.01 54.03 1yjx n LEU 87 Cb 0.11 -0.26 0.18 0.00 -2.33 0.00 0.00 43.42 41.12 1yjx n LEU 87 CO 0.13 0.75 0.54 0.59 -1.33 0.00 0.00 177.39 178.07 1yjx n ASN 88 N 1.22 -0.37 -4.74 -1.43 4.13 0.39 -4.21 115.26 110.24 1yjx n ASN 88 Ca 0.17 0.28 -0.31 0.00 1.68 0.00 0.00 54.58 56.40 1yjx n ASN 88 Cb 0.53 -1.40 0.11 0.00 -1.54 0.00 0.00 39.78 37.49 1yjx n ASN 88 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 1yjx s GLU 89 N -4.47 1.92 0.27 3.52 2.56 -1.26 -4.34 118.70 116.90 1yjx s GLU 89 Ca 0.66 1.26 -0.30 0.00 0.00 0.00 0.00 54.97 56.60 1yjx s GLU 89 Cb -0.23 -1.85 -0.10 0.00 2.00 0.00 0.00 34.13 33.95 1yjx s GLU 89 CO 0.61 -1.91 1.43 0.50 -0.56 0.00 0.00 175.26 175.33 1yjx s ARG 90 N -4.84 4.26 -0.10 4.30 3.52 -1.26 -4.64 118.95 120.19 1yjx s ARG 90 Ca 0.63 2.32 -0.30 0.00 -0.13 0.00 0.00 55.73 58.25 1yjx s ARG 90 Cb -0.19 -3.09 -0.03 0.00 -1.56 0.00 0.00 34.95 30.08 1yjx s ARG 90 CO 0.57 -0.41 1.41 -1.58 -0.81 0.00 0.00 175.30 174.48 1yjx s HIS 91 N -0.24 2.57 -0.77 5.12 5.65 -1.26 -4.28 115.29 122.08 1yjx s HIS 91 Ca 0.58 0.72 0.08 0.00 0.25 0.00 0.00 55.06 56.68 1yjx s HIS 91 Cb -0.42 -3.66 0.42 0.00 -1.18 0.00 0.00 32.58 27.73 1yjx s HIS 91 CO 0.46 -2.51 1.16 0.66 -0.65 0.00 0.00 174.74 173.86 1yjx n TYR 92 N 6.55 1.02 -0.80 3.88 4.01 -1.26 -1.08 117.16 129.49 1yjx n TYR 92 Ca 0.15 -0.36 0.00 0.00 -0.16 0.00 0.00 57.90 57.53 1yjx n TYR 92 Cb 0.44 -0.28 0.00 0.00 -0.31 0.00 0.00 39.34 39.19 1yjx n TYR 92 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1yjx n GLY 93 N 0.42 1.43 0.35 2.72 0.00 -1.25 -1.55 105.19 107.31 1yjx n GLY 93 Ca 0.14 -0.33 0.18 0.00 0.00 0.00 0.00 46.02 46.01 1yjx n GLY 93 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1yjx h GLY 94 N 0.00 0.00 2.00 -0.02 0.00 -0.68 0.27 103.07 104.64 1yjx h GLY 94 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1yjx h GLY 94 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.54 177.95 1yjx h LEU 95 N 0.00 0.00 -9.26 3.11 3.38 -1.50 -3.44 115.31 107.60 1yjx h LEU 95 Ca 0.07 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 57.35 1yjx h LEU 95 Cb 0.60 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.39 1yjx h LEU 95 CO -0.00 0.00 0.68 0.41 0.09 0.00 0.00 178.44 179.62 1yjx n THR 96 N -2.98 0.14 0.00 0.22 -1.04 0.08 -0.94 114.28 109.76 1yjx n THR 96 Ca 0.00 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 1yjx n THR 96 Cb 0.26 -1.10 0.00 0.00 -1.82 0.00 0.00 70.33 67.67 1yjx n THR 96 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1yjx n GLY 97 N 3.28 3.05 3.78 3.41 0.00 0.19 -4.91 105.19 113.98 1yjx n GLY 97 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.89 1yjx n GLY 97 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1yjx s LEU 98 N 0.00 3.58 -0.01 0.99 1.43 -0.12 -4.62 118.68 119.94 1yjx s LEU 98 Ca 0.00 2.06 -0.30 0.00 -1.03 0.00 0.00 54.13 54.86 1yjx s LEU 98 Cb 0.00 -4.56 -0.03 0.00 0.03 0.00 0.00 46.19 41.63 1yjx s LEU 98 CO 0.00 -1.37 1.00 0.21 0.23 0.00 0.00 176.35 176.42 1yjx s ASN 99 N -2.20 7.33 0.18 2.29 3.84 -1.26 -1.49 114.94 123.62 1yjx s ASN 99 Ca 0.69 1.68 -0.13 0.00 0.21 0.00 0.00 52.86 55.31 1yjx s ASN 99 Cb -0.21 -2.57 0.12 0.00 -0.55 0.00 0.00 41.25 38.04 1yjx s ASN 99 CO 0.34 -0.30 1.80 0.11 -2.79 0.00 0.00 177.10 176.26 1yjx h LYS 100 N 6.84 0.55 -0.39 0.43 1.57 -1.29 -0.44 116.57 123.84 1yjx h LYS 100 Ca -0.40 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 1yjx h LYS 100 Cb 1.21 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.38 1yjx h LYS 100 CO 0.77 0.36 0.25 0.00 -0.57 0.00 0.00 179.45 180.26 1yjx h ALA 101 N 1.25 0.49 -0.60 3.86 0.00 -1.93 -1.13 119.26 121.20 1yjx h ALA 101 Ca 0.22 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 1yjx h ALA 101 Cb 0.08 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1yjx h ALA 101 CO -0.12 -0.04 0.06 0.93 0.00 0.00 0.00 179.25 180.08 1yjx h GLU 102 N 0.52 1.02 -0.94 0.00 5.08 -1.88 -1.65 114.58 116.73 1yjx h GLU 102 Ca 0.14 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1yjx h GLU 102 Cb -0.04 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.06 1yjx h GLU 102 CO -0.03 0.98 0.60 1.15 -1.00 0.00 0.00 179.01 180.71 1yjx h THR 103 N 0.92 1.25 -0.58 1.13 2.02 -0.79 -0.45 112.91 116.41 1yjx h THR 103 Ca 0.18 -0.49 -0.06 0.00 0.77 0.00 0.00 66.41 66.80 1yjx h THR 103 Cb 0.48 -0.11 -0.03 0.00 -1.74 0.00 0.00 68.15 66.76 1yjx h THR 103 CO 0.02 0.25 0.10 0.00 0.37 0.00 0.00 175.52 176.26 1yjx h ALA 104 N 1.33 1.09 -0.36 6.16 0.00 -0.94 -1.58 119.26 124.96 1yjx h ALA 104 Ca 0.34 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 1yjx h ALA 104 Cb -0.11 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 1yjx h ALA 104 CO -0.07 0.60 -0.11 0.00 0.00 0.00 0.00 179.25 179.66 1yjx h ALA 105 N 1.23 1.14 0.21 0.00 0.00 -0.21 1.47 119.26 123.10 1yjx h ALA 105 Ca 0.18 -0.29 -0.32 0.00 0.00 0.00 0.00 54.91 54.48 1yjx h ALA 105 Cb 0.38 -0.15 0.03 0.00 0.00 0.00 0.00 17.79 18.04 1yjx h ALA 105 CO 0.01 0.54 -1.40 1.57 0.00 0.00 0.00 179.25 179.97 1yjx h LYS 106 N 0.57 0.45 0.00 0.00 -0.00 -0.84 -3.38 116.57 113.37 1yjx h LYS 106 Ca 0.10 -0.76 0.00 0.00 -0.00 0.00 0.00 60.65 59.99 1yjx h LYS 106 Cb 0.53 0.28 0.00 0.00 -0.00 0.00 0.00 32.23 33.05 1yjx h LYS 106 CO 0.03 1.36 -0.55 0.72 -0.00 0.00 0.00 179.45 181.02 1yjx n HIS 107 N -3.65 0.00 0.00 0.07 8.25 -0.62 -5.12 115.22 114.15 1yjx n HIS 107 Ca -0.14 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.32 1yjx n HIS 107 Cb 1.08 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.19 1yjx n HIS 107 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1yjx n GLY 108 N 1.27 -0.44 0.15 -1.41 0.00 0.50 -4.21 105.19 101.05 1yjx n GLY 108 Ca 0.02 -1.66 -0.08 0.00 0.00 0.00 0.00 46.02 44.30 1yjx n GLY 108 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1yjx h GLU 109 N 0.00 -0.07 0.08 1.61 4.39 -1.94 -2.12 114.58 116.53 1yjx h GLU 109 Ca 0.00 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.72 1yjx h GLU 109 Cb 0.00 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.62 1yjx h GLU 109 CO 0.00 -0.05 -0.45 0.00 -1.16 0.00 0.00 179.01 177.35 1yjx h ALA 110 N 1.10 -0.93 -0.75 3.43 0.00 -1.94 0.45 119.26 120.63 1yjx h ALA 110 Ca 0.11 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.98 1yjx h ALA 110 Cb 0.24 0.85 -0.05 0.00 0.00 0.00 0.00 17.79 18.82 1yjx h ALA 110 CO -0.25 -1.04 0.45 0.37 0.00 0.00 0.00 179.25 178.78 1yjx h GLN 111 N -0.63 0.83 -0.28 0.00 5.75 -1.72 0.01 115.11 119.07 1yjx h GLN 111 Ca -0.00 -0.05 -0.04 0.00 -0.15 0.00 0.00 58.65 58.41 1yjx h GLN 111 Cb 0.64 -0.19 -0.01 0.00 1.07 0.00 0.00 27.48 29.00 1yjx h GLN 111 CO -0.26 0.55 0.04 0.28 -2.65 0.00 0.00 178.83 176.79 1yjx h VAL 112 N 0.85 1.24 -0.86 2.39 2.07 -1.03 -2.51 116.25 118.39 1yjx h VAL 112 Ca 0.32 -0.82 0.03 0.00 0.82 0.00 0.00 66.70 67.05 1yjx h VAL 112 Cb 0.11 1.23 -0.05 0.00 -1.52 0.00 0.00 31.29 31.06 1yjx h VAL 112 CO -0.15 0.27 0.57 0.50 0.02 0.00 0.00 177.57 178.77 1yjx h LYS 113 N 0.28 1.04 0.12 1.57 3.64 0.41 -1.18 116.57 122.45 1yjx h LYS 113 Ca 0.08 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1yjx h LYS 113 Cb 0.36 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1yjx h LYS 113 CO 0.01 0.69 -0.09 0.82 -2.27 0.00 0.00 179.45 178.61 1yjx h ILE 114 N 1.07 0.00 -0.90 2.00 1.08 -0.72 0.12 117.51 120.16 1yjx h ILE 114 Ca 0.34 0.00 0.33 0.00 -0.39 0.00 0.00 64.86 65.14 1yjx h ILE 114 Cb 0.03 0.00 -0.16 0.00 -3.07 0.00 0.00 36.82 33.61 1yjx h ILE 114 CO -0.10 0.00 0.31 0.79 -0.69 0.00 0.00 178.15 178.46 1yjx n TRP 115 N -2.76 0.87 0.01 1.37 8.01 -0.97 0.36 117.44 124.33 1yjx n TRP 115 Ca -0.02 1.07 -0.18 0.00 -1.31 0.00 0.00 57.50 57.06 1yjx n TRP 115 Cb 0.09 -1.36 -0.13 0.00 -2.01 0.00 0.00 31.31 27.89 1yjx n TRP 115 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1yjx h ARG 116 N 0.00 0.22 0.07 -0.99 -0.00 -0.98 -3.42 114.38 109.28 1yjx h ARG 116 Ca 0.68 -0.34 -0.36 0.00 -0.50 0.00 0.00 59.98 59.46 1yjx h ARG 116 Cb 1.68 0.12 -0.04 0.00 0.00 0.00 0.00 29.97 31.74 1yjx h ARG 116 CO -0.75 1.13 -2.06 2.89 0.00 0.00 0.00 179.97 181.17 1yjx n ARG 117 N -4.30 0.69 -1.40 0.04 -4.01 0.39 -5.00 116.66 103.08 1yjx n ARG 117 Ca -0.12 0.28 -0.41 0.00 -1.04 0.00 0.00 57.85 56.55 1yjx n ARG 117 Cb 0.68 -1.65 0.01 0.00 -3.04 0.00 0.00 32.46 28.46 1yjx n ARG 117 CO 0.00 0.00 0.00 -1.13 -3.04 0.00 0.00 177.63 173.46 1yjx n SER 118 N -3.61 -1.63 0.08 2.89 3.41 0.16 -4.80 113.62 110.11 1yjx n SER 118 Ca -0.37 0.85 -0.22 0.00 -0.26 0.00 0.00 58.87 58.87 1yjx n SER 118 Cb 0.97 -1.04 -0.14 0.00 -0.26 0.00 0.00 64.21 63.75 1yjx n SER 118 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 1yjx h TYR 119 N 0.55 0.84 0.00 7.33 3.20 -1.90 -3.40 116.97 123.58 1yjx h TYR 119 Ca -0.40 -0.55 0.00 0.00 3.14 0.00 0.00 58.73 60.92 1yjx h TYR 119 Cb 1.42 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 39.63 1yjx h TYR 119 CO 0.33 1.41 -0.03 -0.40 -1.64 0.00 0.00 178.16 177.83 1yjx n ASP 120 N -3.93 1.92 -4.38 -2.11 5.68 -1.26 -1.26 116.55 111.22 1yjx n ASP 120 Ca -0.14 -2.40 -0.44 0.00 -0.50 0.00 0.00 54.79 51.31 1yjx n ASP 120 Cb 0.92 -0.19 -0.08 0.00 -1.14 0.00 0.00 41.12 40.63 1yjx n ASP 120 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1yjx s VAL 121 N -1.67 5.12 0.57 2.12 1.01 -1.26 -4.91 120.40 121.37 1yjx s VAL 121 Ca 0.13 -1.10 -0.18 0.00 0.00 0.00 0.00 61.98 60.84 1yjx s VAL 121 Cb 0.12 -4.06 -0.05 0.00 0.00 0.00 0.00 36.38 32.39 1yjx s VAL 121 CO 0.01 -0.57 1.09 -2.16 0.00 0.00 0.00 175.10 173.47 1yjx s PRO 122 N 1.62 3.31 0.99 2.72 0.04 -1.26 -4.71 135.00 137.71 1yjx s PRO 122 Ca 0.04 1.41 -0.14 0.00 0.04 0.00 0.00 61.00 62.34 1yjx s PRO 122 Cb -0.24 -2.02 0.19 0.00 0.04 0.00 0.00 34.50 32.47 1yjx s PRO 122 CO 0.06 -0.84 1.15 -1.25 0.04 0.00 0.00 177.00 176.16 1yjx s PRO 123 N -3.65 0.46 0.48 0.56 0.04 -1.26 -4.95 135.00 126.68 1yjx s PRO 123 Ca 0.68 0.14 -0.23 0.00 0.04 0.00 0.00 61.00 61.64 1yjx s PRO 123 Cb -0.20 -1.77 -0.08 0.00 0.04 0.00 0.00 34.50 32.49 1yjx s PRO 123 CO 0.31 -2.63 1.16 -2.30 0.04 0.00 0.00 177.00 173.58 1yjx n PRO 124 N -4.04 1.52 -1.88 0.56 -0.02 -1.26 -4.79 135.00 125.09 1yjx n PRO 124 Ca 0.09 0.55 -0.35 0.00 -2.02 0.00 0.00 63.50 61.77 1yjx n PRO 124 Cb 0.59 -2.29 0.05 0.00 -0.02 0.00 0.00 33.50 31.83 1yjx n PRO 124 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1yjx s PRO 125 N -2.41 2.79 -0.54 0.52 0.02 -1.26 -0.37 135.00 133.75 1yjx s PRO 125 Ca 0.67 1.79 -0.24 0.00 0.02 0.00 0.00 61.00 63.24 1yjx s PRO 125 Cb -0.48 -1.91 0.04 0.00 0.02 0.00 0.00 34.50 32.17 1yjx s PRO 125 CO 0.54 -1.34 0.94 1.41 -0.33 0.00 0.00 177.00 178.22 1yjx s MET 126 N -3.50 3.34 0.58 5.54 1.75 0.34 -3.24 119.30 124.11 1yjx s MET 126 Ca 0.76 -0.25 -0.16 0.00 -1.25 0.00 0.00 55.69 54.79 1yjx s MET 126 Cb -0.30 -4.05 -0.04 0.00 2.84 0.00 0.00 34.83 33.28 1yjx s MET 126 CO 0.36 -1.46 1.05 -1.21 -0.65 0.00 0.00 175.02 173.11 1yjx s GLU 127 N 3.91 3.40 0.67 4.11 0.41 -1.26 -4.91 118.70 125.02 1yjx s GLU 127 Ca 0.31 1.22 0.31 0.00 -0.41 0.00 0.00 54.97 56.40 1yjx s GLU 127 Cb -0.12 -2.04 1.68 0.00 -1.78 0.00 0.00 34.13 31.86 1yjx s GLU 127 CO 0.20 -0.75 1.95 -1.35 -0.49 0.00 0.00 175.26 174.81 1yjx h PRO 128 N 0.60 0.00 -0.57 0.39 0.11 -1.99 0.25 132.00 130.80 1yjx h PRO 128 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1yjx h PRO 128 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1yjx h PRO 128 CO 0.58 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.97 1yjx n ASP 129 N -2.90 3.33 -4.76 -2.05 5.75 -1.26 -4.78 116.55 109.88 1yjx n ASP 129 Ca -0.02 -1.98 -0.40 0.00 -0.01 0.00 0.00 54.79 52.37 1yjx n ASP 129 Cb 0.36 -0.38 -0.03 0.00 -1.03 0.00 0.00 41.12 40.04 1yjx n ASP 129 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 1yjx s HIS 130 N -1.25 3.37 0.62 2.11 2.46 0.89 -4.89 115.29 118.60 1yjx s HIS 130 Ca 0.41 1.58 0.25 0.00 0.47 0.00 0.00 55.06 57.77 1yjx s HIS 130 Cb 0.22 -3.44 1.26 0.00 -0.13 0.00 0.00 32.58 30.49 1yjx s HIS 130 CO 0.29 -1.08 1.70 -1.35 -2.47 0.00 0.00 174.74 171.83 1yjx h PRO 131 N 3.74 0.00 -0.00 2.88 0.11 -1.92 -0.98 132.00 135.83 1yjx h PRO 131 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1yjx h PRO 131 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1yjx h PRO 131 CO 0.67 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 179.65 1yjx n PHE 132 N -3.25 0.00 0.14 0.65 3.72 -1.26 -4.79 117.46 112.68 1yjx n PHE 132 Ca 0.07 -0.73 -0.14 0.00 -0.05 0.00 0.00 57.45 56.60 1yjx n PHE 132 Cb 0.76 -0.10 -0.08 0.00 -0.94 0.00 0.00 39.48 39.13 1yjx n PHE 132 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 176.76 175.79 1yjx h TYR 133 N 0.01 -1.20 -0.35 1.38 3.20 -1.44 -0.61 116.97 117.95 1yjx h TYR 133 Ca 0.00 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 1yjx h TYR 133 Cb 0.73 0.50 -0.02 0.00 1.54 0.00 0.00 36.73 39.48 1yjx h TYR 133 CO 0.00 -0.50 0.20 0.77 -1.64 0.00 0.00 178.16 176.99 1yjx h SER 134 N -0.68 0.43 -1.00 -2.11 0.02 -1.87 0.37 113.55 108.71 1yjx h SER 134 Ca -0.02 -0.08 0.22 0.00 -0.84 0.00 0.00 61.79 61.07 1yjx h SER 134 Cb 0.64 -0.11 -0.11 0.00 0.14 0.00 0.00 62.40 62.96 1yjx h SER 134 CO -0.17 0.39 0.61 -1.13 -1.14 0.00 0.00 176.83 175.38 1yjx h ASN 135 N 0.44 0.71 0.00 3.07 -0.73 -1.81 -1.01 115.58 116.25 1yjx h ASN 135 Ca 0.12 0.11 0.00 0.00 1.87 0.00 0.00 56.30 58.40 1yjx h ASN 135 Cb 0.04 -0.01 0.00 0.00 0.27 0.00 0.00 38.32 38.62 1yjx h ASN 135 CO -0.02 0.19 0.00 -0.38 -0.37 0.00 0.00 177.43 176.85 1yjx n ILE 136 N -4.79 0.00 0.26 2.57 2.08 -0.26 -4.20 119.36 115.03 1yjx n ILE 136 Ca 0.25 0.26 0.18 0.00 0.56 0.00 0.00 62.75 64.00 1yjx n ILE 136 Cb 0.66 -1.16 0.91 0.00 -0.75 0.00 0.00 39.64 39.30 1yjx n ILE 136 CO 0.00 0.00 0.00 0.77 0.56 0.00 0.00 176.55 177.88 1yjx h SER 137 N 0.00 0.00 -0.69 4.38 4.64 -1.05 -0.84 113.55 119.99 1yjx h SER 137 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1yjx h SER 137 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1yjx h SER 137 CO 0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 1yjx n LYS 138 N -3.37 2.85 -2.33 4.77 4.76 -0.39 -4.96 118.16 119.50 1yjx n LYS 138 Ca -0.00 -2.63 -0.42 0.00 -2.87 0.00 0.00 58.31 52.39 1yjx n LYS 138 Cb 0.31 -1.57 -0.03 0.00 -1.84 0.00 0.00 35.03 31.90 1yjx n LYS 138 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1yjx s ASP 139 N -1.00 6.95 0.36 4.39 3.68 -0.32 -4.87 116.67 125.86 1yjx s ASP 139 Ca 0.47 2.00 0.19 0.00 2.13 0.00 0.00 52.55 57.34 1yjx s ASP 139 Cb 0.25 -2.56 1.28 0.00 -1.45 0.00 0.00 42.92 40.44 1yjx s ASP 139 CO 0.31 -0.63 1.56 -1.14 0.13 0.00 0.00 175.17 175.39 1yjx n ARG 140 N 5.05 -0.06 -0.33 4.34 0.63 -1.26 -1.02 116.66 124.01 1yjx n ARG 140 Ca 0.12 1.37 0.26 0.00 -0.92 0.00 0.00 57.85 58.68 1yjx n ARG 140 Cb 0.45 -2.44 0.48 0.00 0.45 0.00 0.00 32.46 31.40 1yjx n ARG 140 CO 0.00 0.00 0.00 -0.09 -2.51 0.00 0.00 177.63 175.03 1yjx h ARG 141 N 0.00 0.03 -0.50 -0.14 2.43 -1.94 0.52 114.38 114.78 1yjx h ARG 141 Ca 0.82 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.99 1yjx h ARG 141 Cb 2.13 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.67 1yjx h ARG 141 CO -0.78 0.02 0.00 0.66 -1.51 0.00 0.00 179.97 178.36 1yjx n TYR 142 N -5.31 1.65 -0.29 2.20 4.01 -0.19 -4.69 117.16 114.54 1yjx n TYR 142 Ca 0.33 -0.74 0.14 0.00 -0.16 0.00 0.00 57.90 57.46 1yjx n TYR 142 Cb 1.09 -0.41 0.40 0.00 -0.31 0.00 0.00 39.34 40.11 1yjx n TYR 142 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1yjx h ALA 143 N 3.39 1.89 -0.07 -0.72 0.00 -0.98 -1.88 119.26 120.87 1yjx h ALA 143 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1yjx h ALA 143 Cb 1.73 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.43 1yjx h ALA 143 CO 0.37 -0.18 0.00 -0.25 0.00 0.00 0.00 179.25 179.19 1yjx n ASP 144 N -4.60 0.60 -4.75 0.00 8.00 -1.26 -4.84 116.55 109.71 1yjx n ASP 144 Ca 0.20 -1.64 -0.40 0.00 0.71 0.00 0.00 54.79 53.66 1yjx n ASP 144 Cb 0.56 -0.05 -0.05 0.00 -0.02 0.00 0.00 41.12 41.56 1yjx n ASP 144 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1yjx s LEU 145 N -1.43 4.55 1.10 0.64 1.43 -0.71 -5.03 118.68 119.23 1yjx s LEU 145 Ca 0.24 1.73 -0.14 0.00 -1.03 0.00 0.00 54.13 54.93 1yjx s LEU 145 Cb 0.12 -3.45 0.24 0.00 0.03 0.00 0.00 46.19 43.13 1yjx s LEU 145 CO 0.19 0.07 1.07 0.42 0.23 0.00 0.00 176.35 178.33 1yjx s THR 146 N -0.58 1.92 0.25 5.49 -4.23 -1.26 -4.70 115.64 112.53 1yjx s THR 146 Ca 0.41 0.00 -0.04 0.00 -1.18 0.00 0.00 61.69 60.88 1yjx s THR 146 Cb -0.23 -2.35 0.25 0.00 1.34 0.00 0.00 72.50 71.51 1yjx s THR 146 CO 0.28 0.00 1.87 1.05 -0.54 0.00 0.00 174.62 177.29 1yjx h GLU 147 N -2.30 1.08 -0.52 3.99 9.09 -1.96 -2.19 114.58 121.77 1yjx h GLU 147 Ca -0.56 -0.07 -0.12 0.00 0.05 0.00 0.00 59.36 58.67 1yjx h GLU 147 Cb 1.33 -0.24 -0.02 0.00 -1.65 0.00 0.00 28.75 28.17 1yjx h GLU 147 CO 0.52 0.72 -0.15 -0.44 0.05 0.00 0.00 179.01 179.71 1yjx h ASP 148 N 1.11 1.04 -0.16 3.06 3.32 -2.03 -3.25 116.42 119.51 1yjx h ASP 148 Ca 0.40 -0.37 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 1yjx h ASP 148 Cb 0.14 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 1yjx h ASP 148 CO -0.16 1.17 0.04 1.56 -1.72 0.00 0.00 179.24 180.12 1yjx h GLN 149 N 0.89 0.25 -6.14 3.56 4.20 -1.74 -3.41 115.11 112.73 1yjx h GLN 149 Ca 0.13 -0.06 -0.58 0.00 0.06 0.00 0.00 58.65 58.21 1yjx h GLN 149 Cb 0.72 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.46 1yjx h GLN 149 CO 0.06 0.39 1.36 -1.17 -0.67 0.00 0.00 178.83 178.79 1yjx s LEU 150 N -9.72 3.63 0.52 1.46 1.98 -0.92 -4.95 118.68 110.67 1yjx s LEU 150 Ca -0.14 1.78 -0.08 0.00 -2.89 0.00 0.00 54.13 52.81 1yjx s LEU 150 Cb 0.06 -3.52 -0.04 0.00 0.66 0.00 0.00 46.19 43.35 1yjx s LEU 150 CO 0.71 -1.70 0.86 -2.16 -1.89 0.00 0.00 176.35 172.17 1yjx s PRO 151 N 5.74 3.59 0.00 0.98 0.04 -1.26 -4.96 135.00 139.13 1yjx s PRO 151 Ca 0.90 0.41 0.11 0.00 0.04 0.00 0.00 61.00 62.45 1yjx s PRO 151 Cb -0.30 -2.28 -0.05 0.00 0.04 0.00 0.00 34.50 31.91 1yjx s PRO 151 CO 0.35 -0.30 0.58 -1.13 0.04 0.00 0.00 177.00 176.53 1yjx n SER 152 N -2.31 0.96 0.00 6.66 3.41 -1.26 -4.98 113.62 116.10 1yjx n SER 152 Ca 0.02 -0.98 0.00 0.00 -0.26 0.00 0.00 58.87 57.66 1yjx n SER 152 Cb 0.55 0.69 0.00 0.00 -0.26 0.00 0.00 64.21 65.18 1yjx n SER 152 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1yjx s GLU 154 N -2.00 0.31 0.40 0.00 2.02 -0.24 -4.92 118.70 114.27 1yjx s GLU 154 Ca 0.00 -0.20 0.06 0.00 0.02 0.00 0.00 54.97 54.84 1yjx s GLU 154 Cb 0.00 0.13 0.00 0.00 0.10 0.00 0.00 34.13 34.36 1yjx s GLU 154 CO 0.00 -0.06 0.57 -1.54 0.02 0.00 0.00 175.26 174.24 1yjx s SER 155 N -0.79 5.77 0.33 -0.19 1.04 -1.26 -4.28 113.70 114.31 1yjx s SER 155 Ca -0.09 -0.18 0.06 0.00 0.48 0.00 0.00 55.95 56.22 1yjx s SER 155 Cb -0.05 -1.04 0.72 0.00 0.10 0.00 0.00 66.02 65.74 1yjx s SER 155 CO 0.01 -0.66 1.86 0.25 0.98 0.00 0.00 173.24 175.67 1yjx h LEU 156 N 0.64 0.76 0.15 2.42 5.85 -1.73 0.02 115.31 123.43 1yjx h LEU 156 Ca -0.43 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.32 1yjx h LEU 156 Cb 1.27 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 42.19 1yjx h LEU 156 CO 0.51 0.39 -0.08 0.50 -0.34 0.00 0.00 178.44 179.42 1yjx h LYS 157 N 0.81 -0.22 -0.48 1.25 3.64 -1.52 0.88 116.57 120.93 1yjx h LYS 157 Ca 0.46 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.93 1yjx h LYS 157 Cb 0.61 0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 32.42 1yjx h LYS 157 CO -0.22 -0.14 0.14 -0.44 -2.27 0.00 0.00 179.45 176.51 1yjx h ASP 158 N -0.22 0.10 -0.47 4.20 3.32 -1.41 0.11 116.42 122.05 1yjx h ASP 158 Ca -0.02 0.07 0.07 0.00 0.02 0.00 0.00 57.03 57.17 1yjx h ASP 158 Cb 0.18 0.07 -0.06 0.00 0.22 0.00 0.00 39.33 39.75 1yjx h ASP 158 CO 0.02 0.09 0.15 0.74 -1.72 0.00 0.00 179.24 178.52 1yjx h THR 159 N 0.29 0.82 -0.38 0.35 2.02 -0.63 -1.31 112.91 114.07 1yjx h THR 159 Ca 0.23 -0.11 -0.03 0.00 0.77 0.00 0.00 66.41 67.27 1yjx h THR 159 Cb 0.27 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 67.15 1yjx h THR 159 CO -0.27 0.06 0.11 0.40 0.37 0.00 0.00 175.52 176.20 1yjx h ILE 160 N 0.31 1.21 -1.02 3.11 2.04 -0.16 -0.82 117.51 122.19 1yjx h ILE 160 Ca 0.22 -0.71 0.26 0.00 1.00 0.00 0.00 64.86 65.64 1yjx h ILE 160 Cb 0.25 0.96 -0.12 0.00 -0.74 0.00 0.00 36.82 37.17 1yjx h ILE 160 CO -0.25 0.25 0.61 0.00 0.00 0.00 0.00 178.15 178.76 1yjx h ALA 161 N 0.96 1.90 0.00 1.87 0.00 0.30 0.35 119.26 124.64 1yjx h ALA 161 Ca 0.12 0.12 -0.15 0.00 0.00 0.00 0.00 54.91 55.00 1yjx h ALA 161 Cb 0.26 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1yjx h ALA 161 CO -0.00 -0.39 -1.75 2.89 0.00 0.00 0.00 179.25 180.00 1yjx n ARG 162 N -4.85 0.65 0.05 0.00 -4.01 -0.76 -4.29 116.66 103.44 1yjx n ARG 162 Ca 0.27 0.04 -0.11 0.00 -1.04 0.00 0.00 57.85 57.01 1yjx n ARG 162 Cb 0.81 -1.67 -0.08 0.00 -3.04 0.00 0.00 32.46 28.48 1yjx n ARG 162 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1yjx h ALA 163 N 1.55 -0.19 -0.96 2.89 0.00 -0.08 -3.35 119.26 119.13 1yjx h ALA 163 Ca -0.19 -0.24 0.24 0.00 0.00 0.00 0.00 54.91 54.73 1yjx h ALA 163 Cb 1.51 0.07 -0.13 0.00 0.00 0.00 0.00 17.79 19.24 1yjx h ALA 163 CO 0.02 -0.30 0.51 -0.07 0.00 0.00 0.00 179.25 179.41 1yjx h LEU 164 N -0.81 0.52 -0.78 0.00 -0.00 -1.19 0.07 115.31 113.12 1yjx h LEU 164 Ca -0.02 0.15 0.09 0.00 -0.00 0.00 0.00 57.88 58.10 1yjx h LEU 164 Cb 0.54 0.08 -0.07 0.00 -0.00 0.00 0.00 40.66 41.21 1yjx h LEU 164 CO 0.03 0.04 0.43 -0.65 -0.00 0.00 0.00 178.44 178.29 1yjx h PRO 165 N 0.48 0.72 -0.39 1.13 0.11 -1.75 0.20 132.00 132.50 1yjx h PRO 165 Ca 0.62 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.64 1yjx h PRO 165 Cb 1.20 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 1yjx h PRO 165 CO -0.51 0.47 0.05 0.35 -0.21 0.00 0.00 178.00 178.15 1yjx h PHE 166 N 0.74 0.61 -0.16 0.65 3.57 -1.17 -0.51 116.94 120.66 1yjx h PHE 166 Ca 0.37 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.82 1yjx h PHE 166 Cb 0.33 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 1yjx h PHE 166 CO -0.07 0.56 0.11 2.35 -2.23 0.00 0.00 178.31 179.02 1yjx h TRP 167 N 0.57 0.21 -0.29 0.41 2.91 -0.06 -1.23 115.95 118.46 1yjx h TRP 167 Ca 0.13 0.00 -0.17 0.00 1.13 0.00 0.00 58.89 59.98 1yjx h TRP 167 Cb 0.29 -0.07 -0.00 0.00 -0.51 0.00 0.00 29.16 28.87 1yjx h TRP 167 CO 0.01 0.13 -0.50 -0.91 -1.03 0.00 0.00 178.44 176.14 1yjx h ASN 168 N 0.22 0.90 0.26 2.65 2.35 -0.24 0.48 115.58 122.19 1yjx h ASN 168 Ca 0.06 -0.46 -0.34 0.00 -0.55 0.00 0.00 56.30 55.01 1yjx h ASN 168 Cb -0.03 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.07 1yjx h ASN 168 CO -0.01 1.24 -1.85 -0.33 -1.65 0.00 0.00 177.43 174.83 1yjx h GLU 169 N 0.64 0.22 0.00 0.81 5.08 -1.14 -3.39 114.58 116.79 1yjx h GLU 169 Ca 0.03 -0.38 -0.40 0.00 -1.00 0.00 0.00 59.36 57.61 1yjx h GLU 169 Cb 1.09 0.14 -0.06 0.00 0.50 0.00 0.00 28.75 30.42 1yjx h GLU 169 CO 0.11 1.06 -2.38 0.39 -1.00 0.00 0.00 179.01 177.18 1yjx n GLU 170 N -3.39 0.55 -0.06 2.33 -0.58 -0.50 -4.59 120.64 114.40 1yjx n GLU 170 Ca -0.26 0.20 -0.07 0.00 -0.42 0.00 0.00 57.16 56.61 1yjx n GLU 170 Cb 1.05 -1.42 -0.07 0.00 -0.57 0.00 0.00 31.44 30.43 1yjx n GLU 170 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1yjx h ILE 171 N -0.57 0.91 -0.72 -3.67 2.04 -1.24 -3.35 117.51 110.92 1yjx h ILE 171 Ca -0.60 -1.69 0.14 0.00 1.00 0.00 0.00 64.86 63.71 1yjx h ILE 171 Cb 1.65 1.72 -0.13 0.00 -0.74 0.00 0.00 36.82 39.32 1yjx h ILE 171 CO -0.27 0.31 -0.26 0.58 0.00 0.00 0.00 178.15 178.51 1yjx h VAL 172 N -1.00 0.20 -0.62 1.67 2.07 -0.24 0.30 116.25 118.62 1yjx h VAL 172 Ca -0.00 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.65 1yjx h VAL 172 Cb 0.52 0.20 -0.11 0.00 -1.52 0.00 0.00 31.29 30.37 1yjx h VAL 172 CO -0.00 0.00 -0.05 -0.65 0.02 0.00 0.00 177.57 176.89 1yjx h PRO 173 N -0.06 0.07 -0.10 1.57 0.11 -1.75 -0.21 132.00 131.63 1yjx h PRO 173 Ca 0.32 -0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.45 1yjx h PRO 173 Cb 0.56 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 31.62 1yjx h PRO 173 CO -0.76 0.05 -0.07 1.96 -0.21 0.00 0.00 178.00 178.97 1yjx h GLN 174 N 0.07 -0.07 -0.55 1.05 1.08 -1.09 -0.70 115.11 114.92 1yjx h GLN 174 Ca 0.32 0.00 0.06 0.00 -1.45 0.00 0.00 58.65 57.59 1yjx h GLN 174 Cb 0.52 0.02 -0.05 0.00 -0.05 0.00 0.00 27.48 27.91 1yjx h GLN 174 CO -0.57 -0.04 0.25 0.82 -0.95 0.00 0.00 178.83 178.33 1yjx h ILE 175 N -0.07 0.89 -0.16 2.54 2.04 -0.59 -1.03 117.51 121.12 1yjx h ILE 175 Ca 0.06 -0.16 -0.04 0.00 1.00 0.00 0.00 64.86 65.72 1yjx h ILE 175 Cb 0.16 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 1yjx h ILE 175 CO -0.14 0.09 -0.10 0.11 0.00 0.00 0.00 178.15 178.10 1yjx h LYS 176 N 0.47 0.25 -0.16 2.37 1.57 -0.60 -1.79 116.57 118.68 1yjx h LYS 176 Ca 0.25 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1yjx h LYS 176 Cb 0.22 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1yjx h LYS 176 CO -0.21 0.37 0.00 0.39 -0.57 0.00 0.00 179.45 179.42 1yjx n GLU 177 N -4.29 1.17 -0.93 3.15 1.02 -0.31 -4.85 120.64 115.59 1yjx n GLU 177 Ca -0.01 -0.23 0.00 0.00 -0.02 0.00 0.00 57.16 56.90 1yjx n GLU 177 Cb 0.25 -1.10 0.00 0.00 -0.02 0.00 0.00 31.44 30.57 1yjx n GLU 177 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1yjx n GLY 178 N 0.54 0.73 3.71 0.62 0.00 -0.67 -5.01 105.19 105.11 1yjx n GLY 178 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1yjx n GLY 178 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yjx s LYS 179 N -0.07 4.42 -0.52 1.61 -0.14 -0.47 -4.96 119.74 119.61 1yjx s LYS 179 Ca 0.00 1.82 -0.28 0.00 -1.36 0.00 0.00 55.97 56.15 1yjx s LYS 179 Cb 0.00 -3.32 0.03 0.00 -1.68 0.00 0.00 37.83 32.86 1yjx s LYS 179 CO 0.00 -0.27 1.12 1.03 -0.76 0.00 0.00 175.35 176.46 1yjx s ARG 180 N 0.99 3.59 0.15 1.68 3.00 -1.26 -4.17 118.95 122.94 1yjx s ARG 180 Ca 0.59 0.33 -0.14 0.00 0.00 0.00 0.00 55.73 56.51 1yjx s ARG 180 Cb -0.31 -3.96 -0.07 0.00 0.00 0.00 0.00 34.95 30.61 1yjx s ARG 180 CO 0.30 -1.48 0.56 0.08 0.00 0.00 0.00 175.30 174.75 1yjx s VAL 181 N 4.52 4.85 -0.11 3.52 1.01 -1.26 -0.63 120.40 132.30 1yjx s VAL 181 Ca 0.43 0.83 0.00 0.00 0.00 0.00 0.00 61.98 63.25 1yjx s VAL 181 Cb -0.08 -3.73 0.02 0.00 0.00 0.00 0.00 36.38 32.59 1yjx s VAL 181 CO 0.28 0.22 -0.09 -0.22 0.00 0.00 0.00 175.10 175.29 1yjx s LEU 182 N -2.01 1.31 -0.22 3.92 2.96 -1.03 -2.26 118.68 121.35 1yjx s LEU 182 Ca 0.39 -0.32 -0.01 0.00 -0.22 0.00 0.00 54.13 53.96 1yjx s LEU 182 Cb -0.15 -0.88 0.02 0.00 0.50 0.00 0.00 46.19 45.68 1yjx s LEU 182 CO 0.19 -0.09 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.41 1yjx s ILE 183 N 1.52 2.72 -0.38 6.68 1.01 -0.03 -1.37 121.20 131.35 1yjx s ILE 183 Ca 0.02 -0.90 -0.08 0.00 0.00 0.00 0.00 60.65 59.68 1yjx s ILE 183 Cb -0.13 -2.30 0.05 0.00 0.01 0.00 0.00 42.46 40.10 1yjx s ILE 183 CO -0.07 0.34 0.18 0.00 0.00 0.00 0.00 174.94 175.39 1yjx s ALA 184 N 1.34 3.17 0.00 9.38 0.00 -0.49 -0.72 121.76 134.45 1yjx s ALA 184 Ca 0.02 -1.91 0.00 0.00 0.00 0.00 0.00 51.96 50.07 1yjx s ALA 184 Cb -0.15 -2.46 0.00 0.00 0.00 0.00 0.00 23.12 20.50 1yjx s ALA 184 CO -0.07 -1.47 0.00 0.00 0.00 0.00 0.00 175.76 174.22 1yjx n ALA 185 N 4.87 0.00 -2.50 0.00 0.00 -0.62 -3.79 120.51 118.46 1yjx n ALA 185 Ca -0.11 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.09 1yjx n ALA 185 Cb 0.44 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.81 1yjx n ALA 185 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1yjx s HIS 186 N 1.06 2.60 0.12 0.00 3.76 -1.26 -2.36 115.29 119.22 1yjx s HIS 186 Ca 0.00 -0.48 -0.33 0.00 -0.15 0.00 0.00 55.06 54.10 1yjx s HIS 186 Cb 0.00 -1.68 -0.11 0.00 1.11 0.00 0.00 32.58 31.90 1yjx s HIS 186 CO 0.00 0.36 1.56 0.78 -0.85 0.00 0.00 174.74 176.58 1yjx h GLY 187 N 1.63 -1.00 1.22 -2.22 0.00 -1.95 -0.01 103.07 100.73 1yjx h GLY 187 Ca -0.43 0.65 -0.14 0.00 0.00 0.00 0.00 47.33 47.41 1yjx h GLY 187 CO 0.67 -0.20 -0.32 3.43 0.00 0.00 0.00 176.54 180.12 1yjx h ASN 188 N -0.55 0.91 -0.47 0.19 2.35 -1.97 -0.99 115.58 115.04 1yjx h ASN 188 Ca 0.05 -0.39 -0.08 0.00 -0.55 0.00 0.00 56.30 55.33 1yjx h ASN 188 Cb 0.67 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.77 1yjx h ASN 188 CO -0.45 1.15 -0.02 0.77 -1.65 0.00 0.00 177.43 177.23 1yjx h SER 189 N 0.73 0.84 -0.28 5.81 4.64 -1.73 -2.31 113.55 121.24 1yjx h SER 189 Ca 0.07 -0.32 -0.04 0.00 -0.47 0.00 0.00 61.79 61.04 1yjx h SER 189 Cb 0.89 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.73 1yjx h SER 189 CO 0.08 0.96 0.06 -0.07 -0.87 0.00 0.00 176.83 176.99 1yjx h LEU 190 N 0.70 0.51 -0.86 5.97 3.38 -0.92 -1.24 115.31 122.86 1yjx h LEU 190 Ca 0.13 -0.08 0.05 0.00 0.09 0.00 0.00 57.88 58.07 1yjx h LEU 190 Cb 0.54 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.10 1yjx h LEU 190 CO 0.03 0.53 0.54 0.03 0.09 0.00 0.00 178.44 179.67 1yjx h ARG 191 N 0.54 1.00 -0.23 1.13 3.08 -0.70 -0.59 114.38 118.60 1yjx h ARG 191 Ca 0.12 -0.06 0.05 0.00 0.07 0.00 0.00 59.98 60.16 1yjx h ARG 191 Cb 0.25 -0.23 -0.05 0.00 0.08 0.00 0.00 29.97 30.02 1yjx h ARG 191 CO 0.00 0.66 -0.10 0.78 -1.07 0.00 0.00 179.97 180.24 1yjx h GLY 192 N 1.03 0.11 0.98 0.04 0.00 -0.70 0.33 103.07 104.86 1yjx h GLY 192 Ca 0.36 0.12 -0.00 0.00 0.00 0.00 0.00 47.33 47.81 1yjx h GLY 192 CO -0.14 -0.12 -0.08 -2.22 0.00 0.00 0.00 176.54 173.98 1yjx h ILE 193 N -0.06 0.84 -0.17 2.60 5.03 -1.19 -1.99 117.51 122.57 1yjx h ILE 193 Ca 0.12 0.00 0.04 0.00 -0.12 0.00 0.00 64.86 64.90 1yjx h ILE 193 Cb 0.25 0.84 -0.04 0.00 -3.03 0.00 0.00 36.82 34.84 1yjx h ILE 193 CO -0.28 0.00 -0.08 0.58 -0.68 0.00 0.00 178.15 177.69 1yjx h VAL 194 N -0.20 0.74 -0.88 1.67 2.07 -0.64 0.70 116.25 119.70 1yjx h VAL 194 Ca -0.02 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.61 1yjx h VAL 194 Cb 0.16 0.74 -0.08 0.00 -1.52 0.00 0.00 31.29 30.59 1yjx h VAL 194 CO 0.02 0.00 0.52 0.50 0.02 0.00 0.00 177.57 178.63 1yjx h LYS 195 N -0.06 0.82 0.05 1.57 3.64 -0.26 -0.06 116.57 122.26 1yjx h LYS 195 Ca 0.09 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1yjx h LYS 195 Cb 0.20 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1yjx h LYS 195 CO -0.21 0.54 -0.02 1.25 -2.27 0.00 0.00 179.45 178.73 1yjx h HIS 196 N 0.84 -0.06 -0.11 1.91 2.76 -0.56 0.21 115.15 120.14 1yjx h HIS 196 Ca 0.44 -0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.61 1yjx h HIS 196 Cb 0.43 0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.40 1yjx h HIS 196 CO -0.05 0.24 0.05 -0.07 -1.30 0.00 0.00 177.93 176.80 1yjx h LEU 197 N -0.36 0.06 -0.53 0.26 3.38 -0.46 -2.97 115.31 114.69 1yjx h LEU 197 Ca -0.01 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1yjx h LEU 197 Cb 0.33 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1yjx h LEU 197 CO 0.01 0.05 -0.14 -0.62 0.09 0.00 0.00 178.44 177.83 1yjx n GLU 198 N -5.05 1.03 -3.82 1.13 1.02 -0.07 -4.48 120.64 110.39 1yjx n GLU 198 Ca -0.05 -0.53 -0.29 0.00 -0.02 0.00 0.00 57.16 56.27 1yjx n GLU 198 Cb 0.05 -1.49 0.03 0.00 -0.02 0.00 0.00 31.44 30.01 1yjx n GLU 198 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1yjx n GLY 199 N 1.27 -0.51 3.80 0.62 0.00 0.70 -4.94 105.19 106.13 1yjx n GLY 199 Ca 0.15 0.20 -0.33 0.00 0.00 0.00 0.00 46.02 46.04 1yjx n GLY 199 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1yjx s LEU 200 N -7.24 3.46 0.83 0.99 1.43 -0.91 -5.04 118.68 112.21 1yjx s LEU 200 Ca 0.64 1.83 -0.12 0.00 -1.03 0.00 0.00 54.13 55.45 1yjx s LEU 200 Cb -0.31 -4.53 0.09 0.00 0.03 0.00 0.00 46.19 41.46 1yjx s LEU 200 CO 0.78 -1.25 1.13 -0.94 0.23 0.00 0.00 176.35 176.30 1yjx s SER 201 N -2.81 4.26 0.21 2.29 1.04 -1.26 -4.84 113.70 112.59 1yjx s SER 201 Ca 0.64 1.07 -0.09 0.00 0.48 0.00 0.00 55.95 58.05 1yjx s SER 201 Cb -0.17 -1.71 0.16 0.00 0.10 0.00 0.00 66.02 64.40 1yjx s SER 201 CO 0.38 -2.09 1.82 -0.33 0.98 0.00 0.00 173.24 174.01 1yjx h GLU 202 N -1.18 1.11 -0.37 4.02 5.08 -2.00 -1.36 114.58 119.89 1yjx h GLU 202 Ca -0.48 -0.14 -0.06 0.00 -1.00 0.00 0.00 59.36 57.68 1yjx h GLU 202 Cb 1.30 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 30.32 1yjx h GLU 202 CO 0.62 0.83 -0.02 1.49 -1.00 0.00 0.00 179.01 180.93 1yjx h GLU 203 N 1.10 0.58 -0.03 2.33 4.81 -2.00 -2.57 114.58 118.80 1yjx h GLU 203 Ca 0.27 -0.14 -0.18 0.00 -0.13 0.00 0.00 59.36 59.19 1yjx h GLU 203 Cb 0.06 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 1yjx h GLU 203 CO -0.04 0.62 -0.77 0.00 -0.73 0.00 0.00 179.01 178.10 1yjx h ALA 204 N 1.43 0.64 0.02 2.92 0.00 -1.71 -3.19 119.26 119.37 1yjx h ALA 204 Ca 0.11 -0.65 -0.20 0.00 0.00 0.00 0.00 54.91 54.17 1yjx h ALA 204 Cb 0.39 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1yjx h ALA 204 CO 0.02 0.84 -0.95 0.97 0.00 0.00 0.00 179.25 180.12 1yjx h ILE 205 N 0.15 1.59 -0.15 0.00 6.09 -1.10 -3.09 117.51 121.00 1yjx h ILE 205 Ca -0.03 -2.99 -0.06 0.00 -1.37 0.00 0.00 64.86 60.41 1yjx h ILE 205 Cb 1.35 2.67 -0.01 0.00 0.47 0.00 0.00 36.82 41.29 1yjx h ILE 205 CO 0.12 0.86 -0.16 0.24 -3.07 0.00 0.00 178.15 176.14 1yjx h MET 206 N 0.04 0.25 -0.00 2.19 2.86 -1.51 -1.35 114.93 117.41 1yjx h MET 206 Ca -0.04 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 1yjx h MET 206 Cb 1.64 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 33.27 1yjx h MET 206 CO 0.13 0.42 -0.01 0.39 1.06 0.00 0.00 176.91 178.90 1yjx n GLU 207 N -4.24 1.01 -3.67 1.72 1.02 -1.18 -4.80 120.64 110.51 1yjx n GLU 207 Ca -0.01 -0.19 -0.36 0.00 -0.02 0.00 0.00 57.16 56.59 1yjx n GLU 207 Cb 0.30 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 30.15 1yjx n GLU 207 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1yjx s LEU 208 N -2.12 4.24 -0.28 -4.62 2.96 -0.51 -5.06 118.68 113.29 1yjx s LEU 208 Ca 0.42 0.35 -0.01 0.00 -0.22 0.00 0.00 54.13 54.67 1yjx s LEU 208 Cb 0.21 -2.19 0.09 0.00 0.50 0.00 0.00 46.19 44.80 1yjx s LEU 208 CO 0.39 0.17 0.07 0.20 -1.32 0.00 0.00 176.35 175.86 1yjx s ASN 209 N 0.29 3.84 0.40 3.68 -0.87 -1.26 -5.00 114.94 116.01 1yjx s ASN 209 Ca 0.12 -1.47 -0.27 0.00 -1.57 0.00 0.00 52.86 49.67 1yjx s ASN 209 Cb -0.12 -0.85 -0.09 0.00 -0.02 0.00 0.00 41.25 40.17 1yjx s ASN 209 CO 0.01 -0.38 1.36 -0.76 -2.57 0.00 0.00 177.10 174.76 1yjx s LEU 210 N 1.63 4.25 0.64 0.60 1.43 -1.26 -4.98 118.68 120.99 1yjx s LEU 210 Ca 0.07 2.79 -0.17 0.00 -1.03 0.00 0.00 54.13 55.79 1yjx s LEU 210 Cb -0.17 -3.82 -0.01 0.00 0.03 0.00 0.00 46.19 42.22 1yjx s LEU 210 CO -0.21 -0.87 1.15 -2.84 0.23 0.00 0.00 176.35 173.82 1yjx s PRO 211 N -2.18 2.80 0.08 1.29 0.02 -1.26 -5.02 135.00 130.73 1yjx s PRO 211 Ca 0.55 1.60 -0.04 0.00 0.02 0.00 0.00 61.00 63.13 1yjx s PRO 211 Cb -0.41 -1.93 -0.05 0.00 0.02 0.00 0.00 34.50 32.13 1yjx s PRO 211 CO 0.54 -1.29 0.30 0.95 -0.33 0.00 0.00 177.00 177.18 1yjx s THR 212 N -2.00 5.26 0.00 0.99 -4.23 -1.26 -4.31 115.64 110.09 1yjx s THR 212 Ca 0.72 -0.02 0.00 0.00 -1.18 0.00 0.00 61.69 61.21 1yjx s THR 212 Cb -0.25 -3.61 0.00 0.00 1.34 0.00 0.00 72.50 69.98 1yjx s THR 212 CO 0.38 0.17 0.00 0.61 -0.54 0.00 0.00 174.62 175.23 1yjx n GLY 213 N 0.46 0.44 3.67 3.99 0.00 0.13 -4.87 105.19 109.01 1yjx n GLY 213 Ca -0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 1yjx n GLY 213 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1yjx s ILE 214 N -1.72 5.26 0.08 -0.61 1.01 -1.26 -3.92 121.20 120.03 1yjx s ILE 214 Ca 0.00 0.14 -0.31 0.00 0.00 0.00 0.00 60.65 60.49 1yjx s ILE 214 Cb 0.00 -3.43 -0.09 0.00 0.01 0.00 0.00 42.46 38.95 1yjx s ILE 214 CO 0.00 0.39 1.85 -2.84 0.00 0.00 0.00 174.94 174.34 1yjx s PRO 215 N 0.79 4.15 -0.30 2.79 0.02 -1.26 -4.54 135.00 136.65 1yjx s PRO 215 Ca 0.07 2.56 -0.10 0.00 0.02 0.00 0.00 61.00 63.54 1yjx s PRO 215 Cb -0.13 -3.81 -0.03 0.00 0.02 0.00 0.00 34.50 30.56 1yjx s PRO 215 CO 0.02 -0.87 0.17 0.42 -0.33 0.00 0.00 177.00 176.41 1yjx s ILE 216 N 3.37 4.93 -0.18 2.83 1.01 0.20 -1.57 121.20 131.80 1yjx s ILE 216 Ca 0.82 -0.15 -0.07 0.00 0.00 0.00 0.00 60.65 61.25 1yjx s ILE 216 Cb -0.44 -3.44 -0.04 0.00 0.01 0.00 0.00 42.46 38.56 1yjx s ILE 216 CO 0.37 0.15 0.05 -0.69 0.00 0.00 0.00 174.94 174.83 1yjx s VAL 217 N 1.68 4.71 0.00 2.92 1.01 0.70 0.20 120.40 131.63 1yjx s VAL 217 Ca 0.06 -0.06 0.08 0.00 0.00 0.00 0.00 61.98 62.05 1yjx s VAL 217 Cb -0.16 -3.12 -0.02 0.00 0.00 0.00 0.00 36.38 33.07 1yjx s VAL 217 CO 0.08 0.46 -0.24 -0.31 0.00 0.00 0.00 175.10 175.09 1yjx s TYR 218 N 0.38 2.39 -0.26 5.22 1.51 0.13 -1.83 117.35 124.89 1yjx s TYR 218 Ca 0.02 -0.38 0.01 0.00 -1.01 0.00 0.00 57.07 55.71 1yjx s TYR 218 Cb -0.13 -1.47 0.05 0.00 -0.11 0.00 0.00 41.96 40.30 1yjx s TYR 218 CO 0.00 0.07 -0.08 -1.21 -1.11 0.00 0.00 175.55 173.23 1yjx s GLU 219 N -0.91 2.46 0.06 -0.62 2.02 -1.26 -0.73 118.70 119.72 1yjx s GLU 219 Ca 0.11 -1.22 0.02 0.00 0.02 0.00 0.00 54.97 53.91 1yjx s GLU 219 Cb -0.10 -2.97 -0.04 0.00 0.10 0.00 0.00 34.13 31.12 1yjx s GLU 219 CO 0.01 -0.53 0.08 -0.51 0.02 0.00 0.00 175.26 174.33 1yjx s LEU 220 N 1.20 3.82 0.00 1.80 1.43 0.69 -0.49 118.68 127.12 1yjx s LEU 220 Ca -0.05 0.02 -0.00 0.00 -1.03 0.00 0.00 54.13 53.07 1yjx s LEU 220 Cb -0.19 -2.44 0.01 0.00 0.03 0.00 0.00 46.19 43.60 1yjx s LEU 220 CO -0.04 0.19 0.07 -0.90 0.23 0.00 0.00 176.35 175.90 1yjx n ASP 221 N 0.60 0.07 0.28 2.29 5.68 0.01 -1.38 116.55 124.10 1yjx n ASP 221 Ca -0.09 -1.06 0.17 0.00 -0.50 0.00 0.00 54.79 53.30 1yjx n ASP 221 Cb 0.52 -0.05 0.94 0.00 -1.14 0.00 0.00 41.12 41.39 1yjx n ASP 221 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 1yjx h LYS 222 N 0.00 0.00 -0.61 0.11 5.09 -2.00 0.98 116.57 120.14 1yjx h LYS 222 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.72 1yjx h LYS 222 Cb 0.08 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.41 1yjx h LYS 222 CO 0.02 0.00 0.00 0.09 -2.09 0.00 0.00 179.45 177.47 1yjx n ASN 223 N -3.64 5.46 -3.14 7.07 5.03 -1.26 -4.90 115.26 119.87 1yjx n ASN 223 Ca -0.01 -2.86 -0.22 0.00 0.87 0.00 0.00 54.58 52.36 1yjx n ASN 223 Cb 0.18 -0.67 0.01 0.00 -1.02 0.00 0.00 39.78 38.27 1yjx n ASN 223 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1yjx n LEU 224 N 0.61 -1.81 -4.64 3.41 4.77 0.34 -4.95 117.00 114.74 1yjx n LEU 224 Ca 0.26 -0.28 -0.35 0.00 -0.03 0.00 0.00 56.01 55.62 1yjx n LEU 224 Cb 1.14 -2.37 -0.10 0.00 -2.33 0.00 0.00 43.42 39.77 1yjx n LEU 224 CO 0.31 0.14 -0.25 -0.54 -1.33 0.00 0.00 177.39 175.72 1yjx s LYS 225 N -5.79 3.99 -0.23 3.23 -0.14 -1.26 -4.76 119.74 114.79 1yjx s LYS 225 Ca 0.32 -0.34 -0.28 0.00 -1.36 0.00 0.00 55.97 54.31 1yjx s LYS 225 Cb -0.16 -3.23 -0.05 0.00 -1.68 0.00 0.00 37.83 32.71 1yjx s LYS 225 CO 0.39 0.27 2.23 -2.30 -0.76 0.00 0.00 175.35 175.18 1yjx n PRO 226 N 3.55 1.94 0.00 -1.68 -0.02 -1.26 -0.81 135.00 136.71 1yjx n PRO 226 Ca -0.16 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 1yjx n PRO 226 Cb 0.52 -3.24 0.00 0.00 -0.02 0.00 0.00 33.50 30.76 1yjx n PRO 226 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 1yjx n ILE 227 N 7.78 0.00 0.00 4.25 -5.35 0.35 -4.80 119.36 121.59 1yjx n ILE 227 Ca 0.30 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.78 1yjx n ILE 227 Cb 0.45 -0.20 0.00 0.00 -1.74 0.00 0.00 39.64 38.15 1yjx n ILE 227 CO 0.00 0.00 0.00 2.29 -1.76 0.00 0.00 176.55 177.08 1yjx n LYS 228 N -0.41 0.00 -0.96 6.28 2.85 -1.26 -5.07 118.16 119.59 1yjx n LYS 228 Ca 0.00 0.00 -0.33 0.00 -1.05 0.00 0.00 58.31 56.93 1yjx n LYS 228 Cb 0.02 0.00 0.12 0.00 -0.65 0.00 0.00 35.03 34.52 1yjx n LYS 228 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 1yjx n PRO 229 N -0.46 -0.06 -1.85 -1.58 -0.04 -1.26 -4.71 135.00 125.03 1yjx n PRO 229 Ca 0.00 0.05 -0.41 0.00 -0.04 0.00 0.00 63.50 63.10 1yjx n PRO 229 Cb 0.00 -2.14 -0.01 0.00 -0.04 0.00 0.00 33.50 31.31 1yjx n PRO 229 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1yjx s MET 230 N -3.81 4.15 0.08 0.54 0.23 -1.26 -4.92 119.30 114.31 1yjx s MET 230 Ca 0.66 2.51 0.07 0.00 -1.03 0.00 0.00 55.69 57.90 1yjx s MET 230 Cb -0.27 -2.99 -0.04 0.00 -1.53 0.00 0.00 34.83 30.01 1yjx s MET 230 CO 0.58 -0.49 -0.12 -0.65 -2.03 0.00 0.00 175.02 172.32 1yjx s GLN 231 N -1.92 2.14 -0.11 3.16 -0.21 -0.76 -4.94 119.66 117.03 1yjx s GLN 231 Ca 0.53 -0.99 -0.02 0.00 0.02 0.00 0.00 55.36 54.90 1yjx s GLN 231 Cb -0.45 -2.29 -0.03 0.00 1.00 0.00 0.00 33.01 31.23 1yjx s GLN 231 CO 0.60 0.52 -0.01 -0.06 -2.12 0.00 0.00 175.29 174.23 1yjx s PHE 232 N -1.13 3.11 0.06 0.91 0.40 -1.26 -0.21 117.98 119.86 1yjx s PHE 232 Ca 0.19 0.05 -0.07 0.00 -0.60 0.00 0.00 56.93 56.51 1yjx s PHE 232 Cb -0.11 -1.84 -0.05 0.00 0.51 0.00 0.00 43.02 41.53 1yjx s PHE 232 CO 0.11 0.31 0.32 -0.51 0.70 0.00 0.00 175.22 176.15 1yjx s LEU 233 N -0.48 4.34 0.00 -0.37 1.43 -0.61 -4.90 118.68 118.10 1yjx s LEU 233 Ca 0.08 0.61 0.00 0.00 -1.03 0.00 0.00 54.13 53.79 1yjx s LEU 233 Cb -0.12 -2.91 0.00 0.00 0.03 0.00 0.00 46.19 43.19 1yjx s LEU 233 CO 0.02 0.18 0.00 0.61 0.23 0.00 0.00 176.35 177.39 1yjx n GLY 234 N 0.78 1.04 3.77 -3.19 0.00 -1.26 -4.15 105.19 102.19 1yjx n GLY 234 Ca -0.08 -1.92 -0.37 0.00 0.00 0.00 0.00 46.02 43.65 1yjx n GLY 234 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1yjx s ASP 235 N 0.00 6.15 0.03 1.61 -4.77 -1.26 -4.68 116.67 113.75 1yjx s ASP 235 Ca 0.00 2.35 -0.06 0.00 -3.30 0.00 0.00 52.55 51.55 1yjx s ASP 235 Cb 0.00 -2.61 -0.01 0.00 -1.09 0.00 0.00 42.92 39.21 1yjx s ASP 235 CO 0.00 -0.93 0.41 1.21 0.70 0.00 0.00 175.17 176.56 1yjx n GLU 236 N -0.44 -0.08 -0.02 2.11 0.00 -1.26 -1.31 120.64 119.64 1yjx n GLU 236 Ca 0.07 0.41 -0.03 0.00 0.00 0.00 0.00 57.16 57.61 1yjx n GLU 236 Cb 0.48 -0.60 -0.02 0.00 0.00 0.00 0.00 31.44 31.29 1yjx n GLU 236 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 1yjx h GLU 237 N 0.00 -0.10 -0.90 5.31 4.39 -2.01 -2.80 114.58 118.48 1yjx h GLU 237 Ca 0.03 0.01 0.14 0.00 0.34 0.00 0.00 59.36 59.88 1yjx h GLU 237 Cb 0.07 0.02 -0.09 0.00 -0.10 0.00 0.00 28.75 28.65 1yjx h GLU 237 CO -0.17 -0.07 0.50 1.15 -1.16 0.00 0.00 179.01 179.26 1yjx h THR 238 N -0.10 0.77 0.00 1.13 2.02 -1.57 -1.20 112.91 113.96 1yjx h THR 238 Ca 0.01 -0.25 -0.01 0.00 0.77 0.00 0.00 66.41 66.94 1yjx h THR 238 Cb 0.14 -0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 66.54 1yjx h THR 238 CO -0.12 0.13 -0.03 1.62 0.37 0.00 0.00 175.52 177.50 1yjx h VAL 239 N 0.72 0.12 0.11 3.16 3.04 -1.18 -1.88 116.25 120.35 1yjx h VAL 239 Ca 0.48 -0.31 -0.37 0.00 -1.01 0.00 0.00 66.70 65.49 1yjx h VAL 239 Cb 0.64 1.27 -0.02 0.00 -2.01 0.00 0.00 31.29 31.17 1yjx h VAL 239 CO -0.34 0.02 -2.03 0.54 -1.01 0.00 0.00 177.57 174.76 1yjx n ARG 240 N -3.20 0.75 -0.30 4.17 1.74 -0.56 -1.69 116.66 117.58 1yjx n ARG 240 Ca -0.01 0.25 0.08 0.00 -0.77 0.00 0.00 57.85 57.41 1yjx n ARG 240 Cb 0.20 -1.70 0.31 0.00 -1.02 0.00 0.00 32.46 30.25 1yjx n ARG 240 CO 0.00 0.00 0.00 1.57 -1.52 0.00 0.00 177.63 177.68 1yjx h LYS 241 N 0.07 0.83 0.00 5.56 -0.00 -0.89 0.40 116.57 122.53 1yjx h LYS 241 Ca -0.43 -0.05 -0.12 0.00 -0.00 0.00 0.00 60.65 60.05 1yjx h LYS 241 Cb 2.03 -0.19 -0.02 0.00 -0.00 0.00 0.00 32.23 34.05 1yjx h LYS 241 CO 0.08 0.55 -0.65 0.00 -0.00 0.00 0.00 179.45 179.42 1yjx h ALA 242 N 1.56 0.14 -0.96 0.07 0.00 -1.49 -3.34 119.26 115.24 1yjx h ALA 242 Ca 0.44 -0.87 0.18 0.00 0.00 0.00 0.00 54.91 54.67 1yjx h ALA 242 Cb 0.51 0.38 -0.09 0.00 0.00 0.00 0.00 17.79 18.59 1yjx h ALA 242 CO -0.20 0.36 0.61 0.52 0.00 0.00 0.00 179.25 180.54 1yjx h MET 243 N -0.99 0.65 -3.89 0.00 2.86 -1.09 -2.76 114.93 109.70 1yjx h MET 243 Ca -0.18 -0.04 -0.57 0.00 -2.06 0.00 0.00 59.70 56.85 1yjx h MET 243 Cb 1.17 -0.15 0.02 0.00 0.06 0.00 0.00 31.60 32.70 1yjx h MET 243 CO -0.10 0.43 2.72 0.39 1.06 0.00 0.00 176.91 181.40 1yjx n GLU 244 N -4.65 2.17 0.00 1.72 1.02 0.14 -5.05 120.64 115.99 1yjx n GLU 244 Ca 0.21 -1.88 0.00 0.00 -0.02 0.00 0.00 57.16 55.47 1yjx n GLU 244 Cb 0.59 -2.81 0.00 0.00 -0.02 0.00 0.00 31.44 29.19 1yjx n GLU 244 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31