#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yjx h ALA 3 N 0.00 1.13 -2.43 0.00 0.00 -1.11 -3.45 119.26 113.40 1yjx h ALA 3 Ca 0.00 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.71 1yjx h ALA 3 Cb 0.00 -0.31 -0.15 0.00 0.00 0.00 0.00 17.79 17.33 1yjx h ALA 3 CO 0.00 0.43 -0.60 0.71 0.00 0.00 0.00 179.25 179.79 1yjx s TYR 4 N -6.11 0.71 -0.08 0.00 1.51 0.21 -4.96 117.35 108.64 1yjx s TYR 4 Ca -0.13 -1.12 -0.00 0.00 -1.01 0.00 0.00 57.07 54.81 1yjx s TYR 4 Cb 0.17 -0.39 0.02 0.00 -0.11 0.00 0.00 41.96 41.65 1yjx s TYR 4 CO 0.80 -0.53 -0.04 0.15 -1.11 0.00 0.00 175.55 174.82 1yjx s LYS 5 N -4.01 1.06 -0.04 -0.62 1.02 -1.26 -0.34 119.74 115.54 1yjx s LYS 5 Ca 0.20 -0.10 0.06 0.00 0.02 0.00 0.00 55.97 56.15 1yjx s LYS 5 Cb 0.07 -1.19 -0.01 0.00 -0.52 0.00 0.00 37.83 36.17 1yjx s LYS 5 CO -0.01 -0.22 -0.23 -1.17 -0.92 0.00 0.00 175.35 172.80 1yjx s LEU 6 N 1.57 2.04 -0.11 3.17 0.20 -1.03 -4.01 118.68 120.50 1yjx s LEU 6 Ca 0.00 -0.46 0.03 0.00 0.69 0.00 0.00 54.13 54.39 1yjx s LEU 6 Cb -0.13 -1.26 0.01 0.00 -0.43 0.00 0.00 46.19 44.38 1yjx s LEU 6 CO -0.04 0.25 -0.21 -0.69 -0.29 0.00 0.00 176.35 175.36 1yjx s VAL 7 N -0.27 1.90 0.12 1.68 1.01 -0.53 -1.73 120.40 122.58 1yjx s VAL 7 Ca 0.01 -0.91 0.08 0.00 0.00 0.00 0.00 61.98 61.16 1yjx s VAL 7 Cb -0.12 -1.67 -0.04 0.00 0.00 0.00 0.00 36.38 34.55 1yjx s VAL 7 CO 0.02 0.52 -0.13 -0.76 0.00 0.00 0.00 175.10 174.75 1yjx s LEU 8 N 0.60 2.91 -0.17 3.92 1.43 0.12 -0.22 118.68 127.27 1yjx s LEU 8 Ca -0.13 -0.47 -0.06 0.00 -1.03 0.00 0.00 54.13 52.43 1yjx s LEU 8 Cb -0.17 -1.71 0.08 0.00 0.03 0.00 0.00 46.19 44.42 1yjx s LEU 8 CO 0.04 0.17 0.36 -0.51 0.23 0.00 0.00 176.35 176.63 1yjx s ILE 9 N -1.24 -0.48 -0.12 -0.59 2.07 0.16 0.16 121.20 121.16 1yjx s ILE 9 Ca 0.21 0.20 -0.21 0.00 -1.41 0.00 0.00 60.65 59.44 1yjx s ILE 9 Cb -0.11 -0.57 -0.04 0.00 0.13 0.00 0.00 42.46 41.88 1yjx s ILE 9 CO 0.13 0.08 0.60 -0.60 -1.91 0.00 0.00 174.94 173.24 1yjx s ARG 10 N 2.36 4.34 0.76 3.50 3.52 -1.26 -1.81 118.95 130.37 1yjx s ARG 10 Ca -0.02 0.65 -0.15 0.00 -0.13 0.00 0.00 55.73 56.08 1yjx s ARG 10 Cb -0.12 -3.48 0.04 0.00 -1.56 0.00 0.00 34.95 29.83 1yjx s ARG 10 CO -0.11 0.02 1.04 -2.39 -0.81 0.00 0.00 175.30 173.05 1yjx n HIS 11 N 4.07 0.85 -1.25 5.12 1.44 -1.07 0.21 115.22 124.58 1yjx n HIS 11 Ca -0.03 0.39 0.00 0.00 -2.01 0.00 0.00 57.72 56.07 1yjx n HIS 11 Cb 0.51 -2.08 0.00 0.00 0.12 0.00 0.00 29.99 28.54 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 0.90 -0.30 3.56 -1.39 0.00 -1.26 -3.90 105.19 102.80 1yjx n GLY 12 Ca 0.13 -1.77 -0.50 0.00 0.00 0.00 0.00 46.02 43.88 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 -0.75 1.00 -3.67 1.61 2.13 -1.26 -4.85 120.64 114.85 1yjx n GLU 13 Ca 0.00 0.36 -0.21 0.00 0.66 0.00 0.00 57.16 57.96 1yjx n GLU 13 Cb 0.00 -1.82 -0.04 0.00 0.27 0.00 0.00 31.44 29.85 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 -0.07 5.00 0.26 4.31 1.04 -1.26 -0.80 113.70 122.18 1yjx s SER 14 Ca 0.74 -0.75 -0.03 0.00 0.48 0.00 0.00 55.95 56.39 1yjx s SER 14 Cb -0.89 -0.62 0.40 0.00 0.10 0.00 0.00 66.02 65.01 1yjx s SER 14 CO 0.53 -0.59 1.85 0.00 0.98 0.00 0.00 173.24 176.01 1yjx h ALA 15 N 1.11 1.30 0.00 5.32 0.00 -0.66 0.10 119.26 126.44 1yjx h ALA 15 Ca -0.42 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 1yjx h ALA 15 Cb 1.26 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 1yjx h ALA 15 CO 0.59 0.30 -0.06 -1.49 0.00 0.00 0.00 179.25 178.59 1yjx h TRP 16 N 1.02 0.00 -0.02 0.00 4.06 -1.92 -2.97 115.95 116.12 1yjx h TRP 16 Ca 0.42 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 61.37 1yjx h TRP 16 Cb 0.24 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.40 1yjx h TRP 16 CO -0.02 0.06 0.01 -0.91 -3.56 0.00 0.00 178.44 174.01 1yjx h ASN 17 N 0.00 0.03 0.43 -3.49 2.35 -1.23 -0.31 115.58 113.36 1yjx h ASN 17 Ca -0.00 -0.19 0.00 0.00 -0.55 0.00 0.00 56.30 55.56 1yjx h ASN 17 Cb 0.80 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.16 1yjx h ASN 17 CO 0.01 0.21 0.00 0.00 -1.65 0.00 0.00 177.43 176.00 1yjx n LEU 18 N -4.98 0.00 -0.35 1.61 -0.00 -1.10 -1.25 117.00 110.92 1yjx n LEU 18 Ca -0.07 0.23 0.13 0.00 -0.00 0.00 0.00 56.01 56.29 1yjx n LEU 18 Cb 0.12 -0.23 0.31 0.00 -0.00 0.00 0.00 43.42 43.62 1yjx n LEU 18 CO 0.33 -0.01 0.61 -0.62 -0.00 0.00 0.00 177.39 177.70 1yjx n GLU 19 N -1.23 1.07 -3.56 1.47 1.02 -0.92 -4.95 120.64 113.54 1yjx n GLU 19 Ca 0.15 -0.71 -0.21 0.00 -0.02 0.00 0.00 57.16 56.38 1yjx n GLU 19 Cb 0.20 -1.49 0.07 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 -0.35 -3.33 -4.50 1.62 4.05 -0.38 -4.85 115.26 107.52 1yjx n ASN 20 Ca 0.12 -0.64 -0.26 0.00 0.45 0.00 0.00 54.58 54.25 1yjx n ASN 20 Cb 0.38 -4.85 -0.10 0.00 1.23 0.00 0.00 39.78 36.44 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 -5.82 1.80 -0.08 1.20 0.52 -0.24 0.12 118.95 116.45 1yjx s ARG 21 Ca 0.22 -1.46 -0.30 0.00 -0.52 0.00 0.00 55.73 53.66 1yjx s ARG 21 Cb -0.10 -1.97 -0.02 0.00 0.52 0.00 0.00 34.95 33.38 1yjx s ARG 21 CO 0.75 0.40 1.11 -0.06 0.02 0.00 0.00 175.30 177.52 1yjx s PHE 22 N -1.87 3.34 -0.20 -0.53 0.08 -0.69 -4.62 117.98 113.49 1yjx s PHE 22 Ca 0.25 1.39 -0.15 0.00 0.12 0.00 0.00 56.93 58.53 1yjx s PHE 22 Cb -0.08 -3.31 -0.09 0.00 -0.57 0.00 0.00 43.02 38.97 1yjx s PHE 22 CO 0.13 -0.80 -0.23 0.43 -0.10 0.00 0.00 175.22 174.65 1yjx n SER 23 N 5.14 1.90 0.00 1.36 7.64 -1.26 0.26 113.62 128.66 1yjx n SER 23 Ca 0.10 0.42 0.00 0.00 1.01 0.00 0.00 58.87 60.40 1yjx n SER 23 Cb 0.47 -0.82 0.00 0.00 -1.01 0.00 0.00 64.21 62.85 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 1.44 4.08 0.15 0.23 0.00 -1.26 -0.51 105.19 109.31 1yjx n GLY 24 Ca -0.25 0.08 0.15 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.89 1.61 7.02 -1.26 -4.58 117.44 132.33 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 -0.10 -0.03 0.00 -2.42 0.00 0.00 31.31 28.76 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 -2.25 3.00 -0.95 -5.99 5.04 0.33 -4.84 117.35 111.69 1yjx s TYR 26 Ca 0.36 0.64 -0.08 0.00 -2.44 0.00 0.00 57.07 55.56 1yjx s TYR 26 Cb 0.21 -3.97 -0.13 0.00 0.35 0.00 0.00 41.96 38.42 1yjx s TYR 26 CO 0.42 -3.50 2.89 -3.47 -1.34 0.00 0.00 175.55 170.55 1yjx n ASP 27 N 3.58 6.63 -4.77 4.32 2.03 -1.26 -4.93 116.55 122.15 1yjx n ASP 27 Ca 0.13 -2.45 -0.39 0.00 0.52 0.00 0.00 54.79 52.60 1yjx n ASP 27 Cb 0.38 -1.36 -0.00 0.00 -0.72 0.00 0.00 41.12 39.41 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 2.11 3.16 0.59 -1.67 0.00 -1.26 -4.78 121.76 119.91 1yjx s ALA 28 Ca 0.60 1.16 -0.02 0.00 0.00 0.00 0.00 51.96 53.70 1yjx s ALA 28 Cb 0.20 -3.46 0.03 0.00 0.00 0.00 0.00 23.12 19.89 1yjx s ALA 28 CO -0.03 -0.81 0.85 0.34 0.00 0.00 0.00 175.76 176.11 1yjx s ASP 29 N -0.90 5.24 0.53 0.00 -1.08 -1.26 -3.54 116.67 115.65 1yjx s ASP 29 Ca 0.59 0.26 -0.20 0.00 -0.52 0.00 0.00 52.55 52.69 1yjx s ASP 29 Cb -0.36 -1.13 -0.06 0.00 -1.46 0.00 0.00 42.92 39.91 1yjx s ASP 29 CO 0.45 -1.22 1.10 -0.76 0.52 0.00 0.00 175.17 175.26 1yjx s LEU 30 N -4.92 3.76 0.59 -1.34 1.43 -1.26 -0.03 118.68 116.91 1yjx s LEU 30 Ca 0.57 2.11 -0.05 0.00 -1.03 0.00 0.00 54.13 55.72 1yjx s LEU 30 Cb -0.10 -4.57 0.02 0.00 0.03 0.00 0.00 46.19 41.56 1yjx s LEU 30 CO 0.41 -1.11 0.88 -0.94 0.23 0.00 0.00 176.35 175.82 1yjx s SER 31 N -1.85 5.50 0.26 2.29 1.04 0.02 -4.41 113.70 116.55 1yjx s SER 31 Ca 0.71 0.58 -0.01 0.00 0.48 0.00 0.00 55.95 57.71 1yjx s SER 31 Cb -0.22 -1.56 0.52 0.00 0.10 0.00 0.00 66.02 64.87 1yjx s SER 31 CO 0.25 -1.09 1.76 -0.65 0.98 0.00 0.00 173.24 174.49 1yjx h PRO 32 N -0.15 0.59 -0.38 4.02 0.11 -1.96 0.10 132.00 134.34 1yjx h PRO 32 Ca -0.45 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 1yjx h PRO 32 Cb 1.27 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 1yjx h PRO 32 CO 0.60 0.39 0.22 0.00 -0.21 0.00 0.00 178.00 179.00 1yjx h ALA 33 N 1.55 0.48 -0.76 -0.75 0.00 -1.92 -0.68 119.26 117.18 1yjx h ALA 33 Ca 0.45 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.32 1yjx h ALA 33 Cb 0.64 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1yjx h ALA 33 CO -0.36 -0.01 0.50 0.78 0.00 0.00 0.00 179.25 180.16 1yjx h GLY 34 N 0.49 1.07 0.91 0.00 0.00 -1.08 0.76 103.07 105.23 1yjx h GLY 34 Ca 0.14 -0.38 -0.05 0.00 0.00 0.00 0.00 47.33 47.03 1yjx h GLY 34 CO -0.02 0.36 0.02 0.84 0.00 0.00 0.00 176.54 177.73 1yjx h HIS 35 N 0.98 0.64 -0.73 5.60 6.17 -0.36 -2.45 115.15 125.01 1yjx h HIS 35 Ca 0.29 -0.10 0.01 0.00 0.71 0.00 0.00 60.37 61.28 1yjx h HIS 35 Cb -0.04 -0.17 -0.04 0.00 2.52 0.00 0.00 27.41 29.69 1yjx h HIS 35 CO -0.00 0.68 0.48 1.49 0.71 0.00 0.00 177.93 181.30 1yjx h GLU 36 N 0.41 0.95 -0.15 5.26 4.57 -0.06 -1.09 114.58 124.47 1yjx h GLU 36 Ca 0.10 -0.06 0.01 0.00 -1.18 0.00 0.00 59.36 58.23 1yjx h GLU 36 Cb 0.41 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 28.78 1yjx h GLU 36 CO 0.01 0.63 0.08 0.93 -1.18 0.00 0.00 179.01 179.48 1yjx h GLU 37 N 0.98 0.16 -0.46 1.92 5.08 -0.56 -0.07 114.58 121.63 1yjx h GLU 37 Ca 0.27 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.65 1yjx h GLU 37 Cb -0.09 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.09 1yjx h GLU 37 CO -0.06 0.11 0.27 0.00 -1.00 0.00 0.00 179.01 178.32 1yjx h ALA 38 N 1.07 0.59 -0.58 3.43 0.00 -0.91 0.94 119.26 123.81 1yjx h ALA 38 Ca 0.06 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.04 1yjx h ALA 38 Cb 0.01 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.62 1yjx h ALA 38 CO -0.04 -0.05 0.26 -0.22 0.00 0.00 0.00 179.25 179.19 1yjx h LYS 39 N 0.53 0.46 -0.20 0.00 3.64 -0.79 0.78 116.57 121.00 1yjx h LYS 39 Ca 0.19 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.54 1yjx h LYS 39 Cb 0.03 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 1yjx h LYS 39 CO -0.09 0.31 0.11 0.00 -2.27 0.00 0.00 179.45 177.50 1yjx h ARG 40 N 0.48 0.27 -0.82 1.90 3.08 -0.29 0.71 114.38 119.71 1yjx h ARG 40 Ca 0.27 -0.03 0.12 0.00 0.07 0.00 0.00 59.98 60.41 1yjx h ARG 40 Cb 0.26 -0.06 -0.08 0.00 0.08 0.00 0.00 29.97 30.18 1yjx h ARG 40 CO -0.23 0.24 0.44 0.78 -1.07 0.00 0.00 179.97 180.12 1yjx h GLY 41 N 0.23 1.29 0.89 0.04 0.00 0.77 -0.30 103.07 105.98 1yjx h GLY 41 Ca 0.07 -0.27 0.01 0.00 0.00 0.00 0.00 47.33 47.13 1yjx h GLY 41 CO -0.01 0.05 -0.03 -1.33 0.00 0.00 0.00 176.54 175.22 1yjx h GLY 42 N 0.69 -0.01 0.65 4.60 0.00 0.16 -2.52 103.07 106.64 1yjx h GLY 42 Ca 0.42 0.04 0.07 0.00 0.00 0.00 0.00 47.33 47.86 1yjx h GLY 42 CO -0.30 -0.04 0.49 1.46 0.00 0.00 0.00 176.54 178.16 1yjx h GLN 43 N -0.05 0.85 0.05 4.80 7.50 0.60 -1.67 115.11 127.19 1yjx h GLN 43 Ca 0.02 -0.05 0.01 0.00 0.50 0.00 0.00 58.65 59.13 1yjx h GLN 43 Cb 0.08 -0.19 -0.01 0.00 0.05 0.00 0.00 27.48 27.40 1yjx h GLN 43 CO -0.05 0.56 -0.08 0.00 -1.50 0.00 0.00 178.83 177.76 1yjx h ALA 44 N 1.41 -0.13 -0.80 3.87 0.00 -0.76 0.18 119.26 123.03 1yjx h ALA 44 Ca 0.37 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.26 1yjx h ALA 44 Cb 0.23 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1yjx h ALA 44 CO -0.20 -0.59 0.45 -0.07 0.00 0.00 0.00 179.25 178.84 1yjx h LEU 45 N -0.17 0.98 -0.30 0.00 3.38 -1.26 0.14 115.31 118.07 1yjx h LEU 45 Ca 0.02 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1yjx h LEU 45 Cb 0.19 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1yjx h LEU 45 CO -0.05 0.78 0.11 -0.09 0.09 0.00 0.00 178.44 179.27 1yjx h ARG 46 N 1.11 0.46 -0.56 1.13 1.12 -0.71 -0.37 114.38 116.55 1yjx h ARG 46 Ca 0.28 -0.09 -0.08 0.00 -1.11 0.00 0.00 59.98 58.98 1yjx h ARG 46 Cb 0.01 -0.07 -0.02 0.00 -0.01 0.00 0.00 29.97 29.87 1yjx h ARG 46 CO -0.05 0.49 0.02 -0.44 -3.11 0.00 0.00 179.97 176.88 1yjx h ASP 47 N 0.34 0.93 0.31 -3.80 3.32 -0.17 -1.11 116.42 116.24 1yjx h ASP 47 Ca 0.10 -0.24 0.00 0.00 0.02 0.00 0.00 57.03 56.91 1yjx h ASP 47 Cb 0.21 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.51 1yjx h ASP 47 CO -0.01 0.97 0.00 0.00 -1.72 0.00 0.00 179.24 178.49 1yjx n ALA 48 N -2.48 2.31 -3.01 3.45 0.00 -0.01 -4.90 120.51 115.88 1yjx n ALA 48 Ca 0.03 -0.13 -0.21 0.00 0.00 0.00 0.00 53.44 53.13 1yjx n ALA 48 Cb 0.32 -1.40 0.04 0.00 0.00 0.00 0.00 19.45 18.40 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 0.73 -0.45 3.77 0.00 0.00 -0.28 -4.97 105.19 103.99 1yjx n GLY 49 Ca 0.14 0.08 -0.38 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.16 3.05 -0.03 1.61 1.51 -0.44 -5.03 117.35 114.86 1yjx s TYR 50 Ca 0.30 1.55 0.04 0.00 -1.01 0.00 0.00 57.07 57.96 1yjx s TYR 50 Cb -0.13 -3.38 -0.00 0.00 -0.11 0.00 0.00 41.96 38.33 1yjx s TYR 50 CO 0.37 -1.32 -0.15 -1.21 -1.11 0.00 0.00 175.55 172.14 1yjx s GLU 51 N -2.37 1.46 0.34 -0.62 2.02 -1.26 -4.87 118.70 113.40 1yjx s GLU 51 Ca 0.58 -0.54 0.08 0.00 0.02 0.00 0.00 54.97 55.12 1yjx s GLU 51 Cb -0.30 -1.32 -0.07 0.00 0.10 0.00 0.00 34.13 32.54 1yjx s GLU 51 CO 0.37 0.25 -0.06 -0.06 0.02 0.00 0.00 175.26 175.79 1yjx s PHE 52 N -0.07 2.31 -0.00 1.61 0.40 -1.26 -4.79 117.98 116.17 1yjx s PHE 52 Ca -0.00 -0.60 0.01 0.00 -0.60 0.00 0.00 56.93 55.74 1yjx s PHE 52 Cb -0.09 -1.40 -0.01 0.00 0.51 0.00 0.00 43.02 42.03 1yjx s PHE 52 CO 0.01 0.47 0.02 -0.25 0.70 0.00 0.00 175.22 176.16 1yjx n ASP 53 N -0.78 4.79 -3.60 1.36 8.00 0.15 -4.92 116.55 121.55 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 0.92 -0.07 0.00 -0.02 0.00 0.00 41.12 42.59 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 -2.05 0.01 0.05 0.53 2.07 -1.24 -4.27 121.20 116.30 1yjx s ILE 54 Ca -0.00 -0.09 0.07 0.00 -1.41 0.00 0.00 60.65 59.22 1yjx s ILE 54 Cb 0.01 -0.89 -0.03 0.00 0.13 0.00 0.00 42.46 41.68 1yjx s ILE 54 CO 0.04 -0.05 -0.21 0.00 -1.91 0.00 0.00 174.94 172.81 1yjx s PHE 56 N -0.83 1.54 0.32 0.00 0.40 -0.56 -0.00 117.98 118.84 1yjx s PHE 56 Ca 0.07 -0.47 -0.02 0.00 -0.60 0.00 0.00 56.93 55.91 1yjx s PHE 56 Cb -0.09 -1.06 -0.01 0.00 0.51 0.00 0.00 43.02 42.37 1yjx s PHE 56 CO 0.02 -0.18 0.42 -0.08 0.70 0.00 0.00 175.22 176.09 1yjx s THR 57 N 0.21 0.00 0.00 0.64 -1.32 -0.35 -1.13 115.64 113.69 1yjx s THR 57 Ca -0.06 -1.67 0.00 0.00 -1.21 0.00 0.00 61.69 58.75 1yjx s THR 57 Cb -0.12 -2.55 0.00 0.00 -1.51 0.00 0.00 72.50 68.32 1yjx s THR 57 CO 0.02 0.00 0.00 -1.54 -2.21 0.00 0.00 174.62 170.89 1yjx n SER 58 N -1.18 0.00 -1.33 8.08 3.41 -1.24 -1.29 113.62 120.07 1yjx n SER 58 Ca 0.02 -0.72 -0.02 0.00 -0.26 0.00 0.00 58.87 57.88 1yjx n SER 58 Cb 0.62 0.00 0.24 0.00 -0.26 0.00 0.00 64.21 64.81 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 -1.28 2.60 -4.43 -3.33 0.24 -1.24 -4.07 118.33 106.82 1yjx n VAL 59 Ca 0.00 -2.16 -0.34 0.00 -2.04 0.00 0.00 64.34 59.81 1yjx n VAL 59 Cb 0.00 -0.32 -0.13 0.00 -1.47 0.00 0.00 33.84 31.92 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 -3.06 3.55 0.07 7.34 -0.21 -1.26 -5.04 119.66 121.04 1yjx s GLN 60 Ca 0.47 -0.58 -0.13 0.00 0.02 0.00 0.00 55.36 55.14 1yjx s GLN 60 Cb 0.40 -2.86 -0.03 0.00 1.00 0.00 0.00 33.01 31.52 1yjx s GLN 60 CO 0.07 0.16 1.05 1.63 -2.12 0.00 0.00 175.29 176.07 1yjx n LYS 61 N 3.74 -0.19 -0.39 2.91 5.02 -1.26 -1.19 118.16 126.81 1yjx n LYS 61 Ca -0.18 1.03 0.30 0.00 -2.02 0.00 0.00 58.31 57.45 1yjx n LYS 61 Cb 0.52 -1.53 0.58 0.00 -0.02 0.00 0.00 35.03 34.58 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 0.21 0.00 1.97 0.11 -1.89 1.02 114.38 115.79 1yjx h ARG 62 Ca 0.07 -0.01 -0.01 0.00 0.10 0.00 0.00 59.98 60.12 1yjx h ARG 62 Cb 0.18 -0.05 -0.00 0.00 1.11 0.00 0.00 29.97 31.21 1yjx h ARG 62 CO -0.40 0.14 -0.08 0.00 0.10 0.00 0.00 179.97 179.72 1yjx h ALA 63 N 1.63 0.01 -0.44 0.08 0.00 -1.47 -2.93 119.26 116.14 1yjx h ALA 63 Ca 0.73 -0.40 0.08 0.00 0.00 0.00 0.00 54.91 55.32 1yjx h ALA 63 Cb 2.10 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 19.87 1yjx h ALA 63 CO -0.39 0.05 0.02 0.82 0.00 0.00 0.00 179.25 179.75 1yjx h ILE 64 N -1.00 0.68 -0.23 0.00 2.04 0.06 0.59 117.51 119.65 1yjx h ILE 64 Ca -0.02 -0.05 -0.03 0.00 1.00 0.00 0.00 64.86 65.77 1yjx h ILE 64 Cb 0.72 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 1yjx h ILE 64 CO -0.01 0.02 0.03 -0.09 0.00 0.00 0.00 178.15 178.10 1yjx h ARG 65 N 0.13 0.33 -0.34 2.37 2.43 0.87 0.12 114.38 120.29 1yjx h ARG 65 Ca 0.22 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.31 1yjx h ARG 65 Cb 0.31 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.79 1yjx h ARG 65 CO -0.35 0.34 0.07 1.15 -1.51 0.00 0.00 179.97 179.67 1yjx h THR 66 N 0.33 1.23 0.16 0.20 2.02 -0.80 -0.85 112.91 115.20 1yjx h THR 66 Ca 0.08 -0.79 0.01 0.00 0.77 0.00 0.00 66.41 66.48 1yjx h THR 66 Cb 0.18 1.10 -0.02 0.00 -1.74 0.00 0.00 68.15 67.66 1yjx h THR 66 CO 0.00 0.26 -0.20 0.25 0.37 0.00 0.00 175.52 176.20 1yjx h LEU 67 N 0.39 -0.56 -0.34 2.58 6.46 0.51 -0.93 115.31 123.42 1yjx h LEU 67 Ca 0.10 0.06 0.07 0.00 -0.12 0.00 0.00 57.88 57.99 1yjx h LEU 67 Cb 0.32 0.20 -0.07 0.00 -0.73 0.00 0.00 40.66 40.39 1yjx h LEU 67 CO 0.00 -0.30 -0.09 -0.50 -0.62 0.00 0.00 178.44 176.93 1yjx h TRP 68 N -0.42 -0.21 -0.74 1.25 4.06 -0.73 0.20 115.95 119.37 1yjx h TRP 68 Ca 0.01 0.03 0.04 0.00 2.06 0.00 0.00 58.89 61.04 1yjx h TRP 68 Cb 0.41 0.14 -0.05 0.00 -1.00 0.00 0.00 29.16 28.67 1yjx h TRP 68 CO -0.17 -0.16 0.46 1.15 -3.56 0.00 0.00 178.44 176.15 1yjx h THR 69 N -0.01 1.07 0.11 1.49 2.02 -0.84 0.49 112.91 117.23 1yjx h THR 69 Ca 0.16 -0.30 -0.01 0.00 0.77 0.00 0.00 66.41 67.04 1yjx h THR 69 Cb 0.26 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.79 1yjx h THR 69 CO -0.36 0.16 -0.05 0.58 0.37 0.00 0.00 175.52 176.22 1yjx h VAL 70 N 0.87 1.03 -0.94 3.16 2.07 -0.24 -0.66 116.25 121.55 1yjx h VAL 70 Ca 0.31 -0.54 0.11 0.00 0.82 0.00 0.00 66.70 67.40 1yjx h VAL 70 Cb 0.07 1.37 -0.08 0.00 -1.52 0.00 0.00 31.29 31.14 1yjx h VAL 70 CO -0.13 0.13 0.57 -0.07 0.02 0.00 0.00 177.57 178.09 1yjx h LEU 71 N -0.39 0.84 -0.29 2.57 3.38 -0.36 -0.52 115.31 120.54 1yjx h LEU 71 Ca -0.01 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1yjx h LEU 71 Cb 0.32 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1yjx h LEU 71 CO 0.02 0.46 0.12 -0.78 0.09 0.00 0.00 178.44 178.36 1yjx h ASP 72 N 0.93 0.40 -0.97 -0.43 -0.00 -0.72 0.40 116.42 116.03 1yjx h ASP 72 Ca 0.46 -0.16 0.02 0.00 -0.00 0.00 0.00 57.03 57.35 1yjx h ASP 72 Cb 0.42 -0.10 -0.05 0.00 -0.00 0.00 0.00 39.33 39.59 1yjx h ASP 72 CO -0.25 0.44 0.64 0.00 -0.00 0.00 0.00 179.24 180.07 1yjx h ALA 73 N 0.97 1.25 -0.47 -0.78 0.00 0.16 -2.48 119.26 117.90 1yjx h ALA 73 Ca 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1yjx h ALA 73 Cb 0.17 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1yjx h ALA 73 CO -0.01 0.56 0.00 0.44 0.00 0.00 0.00 179.25 180.24 1yjx n ILE 74 N -4.44 1.76 -3.92 0.00 -5.35 -0.33 -4.82 119.36 102.26 1yjx n ILE 74 Ca 0.12 -0.98 -0.31 0.00 -0.27 0.00 0.00 62.75 61.30 1yjx n ILE 74 Cb 0.06 -0.15 -0.00 0.00 -1.74 0.00 0.00 39.64 37.80 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 0.65 -2.37 -2.76 7.28 4.64 -0.78 -4.90 116.55 118.31 1yjx n ASP 75 Ca 0.21 -1.08 -0.00 0.00 -1.38 0.00 0.00 54.79 52.53 1yjx n ASP 75 Cb 0.85 -2.79 0.05 0.00 -1.04 0.00 0.00 41.12 38.18 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 -4.46 1.71 0.21 -0.67 6.02 0.06 -4.86 117.38 115.39 1yjx n GLN 76 Ca -0.21 -3.46 0.15 0.00 -0.01 0.00 0.00 57.00 53.46 1yjx n GLN 76 Cb 0.64 -1.56 0.69 0.00 1.02 0.00 0.00 30.24 31.03 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 2.53 0.00 -0.00 -1.09 2.86 -1.91 -2.12 114.93 115.20 1yjx h MET 77 Ca -0.13 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.51 1yjx h MET 77 Cb 1.30 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.96 1yjx h MET 77 CO 0.19 0.00 -0.00 -2.67 1.06 0.00 0.00 176.91 175.49 1yjx n TRP 78 N -2.61 0.00 -1.87 -0.22 4.27 -1.26 -4.88 117.44 110.87 1yjx n TRP 78 Ca 0.00 0.00 -0.39 0.00 -3.89 0.00 0.00 57.50 53.22 1yjx n TRP 78 Cb 0.18 -0.48 0.02 0.00 -1.36 0.00 0.00 31.31 29.67 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 -2.96 4.08 0.27 5.67 1.43 -0.80 -4.95 118.68 121.41 1yjx s LEU 79 Ca 0.15 2.80 -0.29 0.00 -1.03 0.00 0.00 54.13 55.76 1yjx s LEU 79 Cb 0.19 -4.01 -0.09 0.00 0.03 0.00 0.00 46.19 42.31 1yjx s LEU 79 CO 0.52 -1.17 1.12 -2.16 0.23 0.00 0.00 176.35 174.89 1yjx s PRO 80 N -2.51 4.61 0.02 1.29 0.04 -1.26 -4.90 135.00 132.29 1yjx s PRO 80 Ca 0.62 1.83 0.06 0.00 0.04 0.00 0.00 61.00 63.55 1yjx s PRO 80 Cb -0.41 -3.19 -0.02 0.00 0.04 0.00 0.00 34.50 30.92 1yjx s PRO 80 CO 0.52 0.16 -0.19 0.14 0.04 0.00 0.00 177.00 177.66 1yjx s VAL 81 N -1.00 1.51 -0.13 -0.36 -7.23 -1.26 -1.26 120.40 110.67 1yjx s VAL 81 Ca 0.46 -1.02 0.02 0.00 -1.81 0.00 0.00 61.98 59.63 1yjx s VAL 81 Cb -0.32 -1.30 0.01 0.00 0.56 0.00 0.00 36.38 35.33 1yjx s VAL 81 CO 0.41 0.25 -0.20 -0.69 -0.31 0.00 0.00 175.10 174.56 1yjx s VAL 82 N -0.67 1.90 -0.01 1.32 1.01 1.00 -4.95 120.40 119.99 1yjx s VAL 82 Ca 0.07 -0.88 -0.02 0.00 0.00 0.00 0.00 61.98 61.15 1yjx s VAL 82 Cb -0.08 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.57 1yjx s VAL 82 CO 0.01 0.52 0.13 -0.13 0.00 0.00 0.00 175.10 175.63 1yjx s ARG 83 N 0.84 3.26 -0.23 2.72 0.52 -1.26 -1.21 118.95 123.59 1yjx s ARG 83 Ca -0.07 -0.40 -0.17 0.00 -0.52 0.00 0.00 55.73 54.57 1yjx s ARG 83 Cb -0.15 -2.98 0.06 0.00 0.52 0.00 0.00 34.95 32.40 1yjx s ARG 83 CO -0.01 0.66 0.58 -0.08 0.02 0.00 0.00 175.30 176.47 1yjx s THR 84 N -1.26 -0.01 0.43 0.02 -1.32 -0.41 -4.95 115.64 108.15 1yjx s THR 84 Ca 0.25 0.02 0.39 0.00 -1.21 0.00 0.00 61.69 61.14 1yjx s THR 84 Cb -0.12 -0.83 0.41 0.00 -1.51 0.00 0.00 72.50 70.45 1yjx s THR 84 CO 0.16 0.01 2.20 4.11 -2.21 0.00 0.00 174.62 178.89 1yjx h TRP 85 N 6.12 0.00 0.00 9.09 5.08 -1.89 -2.17 115.95 132.18 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 0.26 0.01 0.00 0.54 -1.28 0.00 0.00 178.44 177.98 1yjx n ARG 86 N -3.15 0.10 -0.20 0.12 1.74 -1.26 -0.46 116.66 113.55 1yjx n ARG 86 Ca -0.02 0.44 0.09 0.00 -0.77 0.00 0.00 57.85 57.60 1yjx n ARG 86 Cb 0.17 -1.74 0.20 0.00 -1.02 0.00 0.00 32.46 30.07 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 -1.94 3.24 -4.61 0.55 4.77 -0.82 -4.15 117.00 114.03 1yjx n LEU 87 Ca 0.01 -1.69 -0.31 0.00 -0.03 0.00 0.00 56.01 53.99 1yjx n LEU 87 Cb 0.13 -0.27 0.17 0.00 -2.33 0.00 0.00 43.42 41.13 1yjx n LEU 87 CO 0.13 0.75 0.56 0.59 -1.33 0.00 0.00 177.39 178.09 1yjx n ASN 88 N 1.15 -0.19 -4.75 -1.43 4.13 0.39 -4.07 115.26 110.49 1yjx n ASN 88 Ca 0.17 0.34 -0.32 0.00 1.68 0.00 0.00 54.58 56.45 1yjx n ASN 88 Cb 0.52 -1.42 0.10 0.00 -1.54 0.00 0.00 39.78 37.44 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 -4.49 2.07 0.27 3.52 2.56 -1.26 -4.33 118.70 117.05 1yjx s GLU 89 Ca 0.66 1.33 -0.30 0.00 0.00 0.00 0.00 54.97 56.66 1yjx s GLU 89 Cb -0.23 -1.86 -0.11 0.00 2.00 0.00 0.00 34.13 33.93 1yjx s GLU 89 CO 0.60 -1.81 1.49 0.50 -0.56 0.00 0.00 175.26 175.49 1yjx s ARG 90 N -4.65 4.21 -0.07 4.30 3.52 -1.26 -4.61 118.95 120.39 1yjx s ARG 90 Ca 0.64 2.41 -0.30 0.00 -0.13 0.00 0.00 55.73 58.35 1yjx s ARG 90 Cb -0.20 -3.07 -0.04 0.00 -1.56 0.00 0.00 34.95 30.08 1yjx s ARG 90 CO 0.53 -0.49 1.42 -1.58 -0.81 0.00 0.00 175.30 174.37 1yjx s HIS 91 N -0.07 2.61 -1.03 5.12 5.65 -1.26 -4.22 115.29 122.09 1yjx s HIS 91 Ca 0.60 0.71 0.09 0.00 0.25 0.00 0.00 55.06 56.71 1yjx s HIS 91 Cb -0.44 -3.68 0.42 0.00 -1.18 0.00 0.00 32.58 27.70 1yjx s HIS 91 CO 0.46 -2.57 1.22 0.66 -0.65 0.00 0.00 174.74 173.85 1yjx n TYR 92 N 6.27 0.95 -1.31 3.88 4.01 -1.26 -1.01 117.16 128.69 1yjx n TYR 92 Ca 0.14 -0.36 0.00 0.00 -0.16 0.00 0.00 57.90 57.53 1yjx n TYR 92 Cb 0.44 -0.22 0.00 0.00 -0.31 0.00 0.00 39.34 39.24 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 0.59 1.61 0.34 2.72 0.00 -1.25 -1.65 105.19 107.56 1yjx n GLY 93 Ca 0.15 -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 0.11 -0.21 103.07 104.95 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 -9.27 3.11 3.38 -1.50 -3.44 115.31 107.58 1yjx h LEU 95 Ca 0.04 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.34 1yjx h LEU 95 Cb 0.45 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.24 1yjx h LEU 95 CO -0.00 0.00 0.75 0.41 0.09 0.00 0.00 178.44 179.69 1yjx n THR 96 N -2.78 0.18 0.00 0.22 -1.04 -0.09 -0.99 114.28 109.78 1yjx n THR 96 Ca 0.01 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 1yjx n THR 96 Cb 0.26 -1.22 0.00 0.00 -1.82 0.00 0.00 70.33 67.55 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 3.47 3.00 3.76 3.41 0.00 0.14 -4.90 105.19 114.08 1yjx n GLY 97 Ca 0.21 0.00 -0.35 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 3.60 -0.00 0.99 1.43 -0.16 -4.65 118.68 119.88 1yjx s LEU 98 Ca 0.00 2.18 -0.30 0.00 -1.03 0.00 0.00 54.13 54.98 1yjx s LEU 98 Cb 0.00 -4.58 -0.03 0.00 0.03 0.00 0.00 46.19 41.61 1yjx s LEU 98 CO 0.00 -1.49 0.99 0.21 0.23 0.00 0.00 176.35 176.28 1yjx s ASN 99 N -1.99 7.36 0.19 2.29 3.84 -1.26 -1.70 114.94 123.67 1yjx s ASN 99 Ca 0.72 1.67 -0.12 0.00 0.21 0.00 0.00 52.86 55.34 1yjx s ASN 99 Cb -0.25 -2.57 0.15 0.00 -0.55 0.00 0.00 41.25 38.04 1yjx s ASN 99 CO 0.34 -0.27 1.83 0.11 -2.79 0.00 0.00 177.10 176.31 1yjx h LYS 100 N 6.81 0.70 -0.33 0.43 1.57 -0.65 -0.31 116.57 124.78 1yjx h LYS 100 Ca -0.41 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1yjx h LYS 100 Cb 1.22 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 33.35 1yjx h LYS 100 CO 0.75 0.46 0.19 0.00 -0.57 0.00 0.00 179.45 180.29 1yjx h ALA 101 N 1.27 0.43 -0.67 3.86 0.00 -1.93 -1.22 119.26 120.99 1yjx h ALA 101 Ca 0.25 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 1yjx h ALA 101 Cb 0.04 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1yjx h ALA 101 CO -0.11 -0.06 0.14 0.93 0.00 0.00 0.00 179.25 180.15 1yjx h GLU 102 N 0.42 1.09 -0.90 0.00 5.08 -1.88 -1.55 114.58 116.85 1yjx h GLU 102 Ca 0.12 -0.28 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 1yjx h GLU 102 Cb 0.03 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.10 1yjx h GLU 102 CO -0.02 0.99 0.54 1.15 -1.00 0.00 0.00 179.01 180.66 1yjx h THR 103 N 1.02 1.25 -0.51 1.13 2.02 -0.78 0.33 112.91 117.36 1yjx h THR 103 Ca 0.21 -0.55 -0.09 0.00 0.77 0.00 0.00 66.41 66.74 1yjx h THR 103 Cb 0.40 -0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 66.77 1yjx h THR 103 CO 0.01 0.26 -0.05 0.00 0.37 0.00 0.00 175.52 176.12 1yjx h ALA 104 N 1.35 0.95 -0.13 6.16 0.00 -0.87 -0.21 119.26 126.51 1yjx h ALA 104 Ca 0.32 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1yjx h ALA 104 Cb -0.04 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 1yjx h ALA 104 CO -0.06 0.62 -0.10 0.00 0.00 0.00 0.00 179.25 179.72 1yjx h ALA 105 N 1.12 0.19 -0.05 0.00 0.00 -0.21 0.11 119.26 120.43 1yjx h ALA 105 Ca 0.15 -0.29 -0.17 0.00 0.00 0.00 0.00 54.91 54.60 1yjx h ALA 105 Cb 0.55 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1yjx h ALA 105 CO 0.03 0.02 -0.70 1.57 0.00 0.00 0.00 179.25 180.17 1yjx h LYS 106 N -0.06 0.25 -0.01 0.00 -0.00 -0.35 -3.35 116.57 113.05 1yjx h LYS 106 Ca 0.03 -0.20 0.00 0.00 -0.00 0.00 0.00 60.65 60.47 1yjx h LYS 106 Cb 0.59 0.04 0.00 0.00 -0.00 0.00 0.00 32.23 32.86 1yjx h LYS 106 CO 0.03 0.85 -0.39 0.72 -0.00 0.00 0.00 179.45 180.66 1yjx n HIS 107 N -3.80 0.00 0.00 0.07 8.25 -0.10 -5.09 115.22 114.55 1yjx n HIS 107 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 1yjx n HIS 107 Cb 0.69 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.80 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 1.12 -1.26 0.44 -1.41 0.00 0.39 -4.45 105.19 100.02 1yjx n GLY 108 Ca 0.04 -1.27 -0.13 0.00 0.00 0.00 0.00 46.02 44.66 1yjx n GLY 108 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1yjx h GLU 109 N 0.00 -0.49 -0.64 1.61 4.57 -1.92 -2.38 114.58 115.33 1yjx h GLU 109 Ca 0.00 0.03 0.12 0.00 -1.18 0.00 0.00 59.36 58.34 1yjx h GLU 109 Cb 0.00 0.11 -0.09 0.00 -0.16 0.00 0.00 28.75 28.61 1yjx h GLU 109 CO 0.00 -0.33 0.17 0.00 -1.18 0.00 0.00 179.01 177.67 1yjx h ALA 110 N -0.05 0.80 -0.09 2.92 0.00 -1.94 0.50 119.26 121.41 1yjx h ALA 110 Ca 0.06 0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.13 1yjx h ALA 110 Cb 0.65 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 1yjx h ALA 110 CO -0.45 -0.29 -0.07 0.37 0.00 0.00 0.00 179.25 178.81 1yjx h GLN 111 N 0.30 -0.08 -0.26 0.00 5.75 -1.71 0.16 115.11 119.27 1yjx h GLN 111 Ca 0.34 0.01 -0.06 0.00 -0.15 0.00 0.00 58.65 58.79 1yjx h GLN 111 Cb 0.52 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.07 1yjx h GLN 111 CO -0.41 -0.05 -0.12 0.28 -2.65 0.00 0.00 178.83 175.88 1yjx h VAL 112 N -0.08 1.22 -0.59 2.39 2.07 -0.83 -1.68 116.25 118.75 1yjx h VAL 112 Ca 0.06 -0.94 -0.05 0.00 0.82 0.00 0.00 66.70 66.59 1yjx h VAL 112 Cb 0.17 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 1yjx h VAL 112 CO -0.14 0.31 0.19 0.50 0.02 0.00 0.00 177.57 178.44 1yjx h LYS 113 N 0.40 0.91 0.08 1.57 3.64 0.10 0.21 116.57 123.49 1yjx h LYS 113 Ca 0.08 -0.19 -0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1yjx h LYS 113 Cb 0.45 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.14 1yjx h LYS 113 CO 0.03 0.81 -0.08 0.82 -2.27 0.00 0.00 179.45 178.76 1yjx h ILE 114 N 0.83 0.00 -0.94 2.00 1.08 -0.11 0.14 117.51 120.51 1yjx h ILE 114 Ca 0.19 0.00 0.29 0.00 -0.39 0.00 0.00 64.86 64.95 1yjx h ILE 114 Cb 0.28 0.00 -0.16 0.00 -3.07 0.00 0.00 36.82 33.87 1yjx h ILE 114 CO -0.01 0.00 0.29 -0.50 -0.69 0.00 0.00 178.15 177.24 1yjx h TRP 115 N -0.16 0.43 0.15 1.37 6.55 -1.22 0.13 115.95 123.20 1yjx h TRP 115 Ca -0.01 0.05 -0.32 0.00 0.95 0.00 0.00 58.89 59.56 1yjx h TRP 115 Cb 0.14 -0.03 0.00 0.00 -0.86 0.00 0.00 29.16 28.41 1yjx h TRP 115 CO -0.08 -0.30 -1.57 0.00 -1.05 0.00 0.00 178.44 175.44 1yjx h ARG 116 N 0.14 0.32 -0.11 0.49 3.08 -0.42 -3.41 114.38 114.48 1yjx h ARG 116 Ca 0.64 -0.55 0.00 0.00 0.07 0.00 0.00 59.98 60.14 1yjx h ARG 116 Cb 1.42 0.21 0.00 0.00 0.08 0.00 0.00 29.97 31.68 1yjx h ARG 116 CO -0.73 1.21 0.00 0.54 -1.07 0.00 0.00 179.97 179.92 1yjx n ARG 117 N -3.52 1.38 -3.05 0.04 5.12 0.49 -5.03 116.66 112.08 1yjx n ARG 117 Ca -0.18 -1.38 -0.31 0.00 -1.93 0.00 0.00 57.85 54.05 1yjx n ARG 117 Cb 1.06 -1.16 -0.05 0.00 -1.16 0.00 0.00 32.46 31.15 1yjx n ARG 117 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1yjx s SER 118 N -0.80 6.65 0.01 0.55 1.04 0.41 -4.83 113.70 116.72 1yjx s SER 118 Ca 0.12 1.18 -0.18 0.00 0.48 0.00 0.00 55.95 57.55 1yjx s SER 118 Cb 0.07 -2.34 -0.33 0.00 0.10 0.00 0.00 66.02 63.53 1yjx s SER 118 CO 0.10 -0.28 0.99 0.22 0.98 0.00 0.00 173.24 175.25 1yjx h TYR 119 N 1.85 0.85 0.00 5.02 3.20 -1.92 -3.40 116.97 122.56 1yjx h TYR 119 Ca -0.47 -0.60 0.00 0.00 3.14 0.00 0.00 58.73 60.80 1yjx h TYR 119 Cb 1.18 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 39.41 1yjx h TYR 119 CO 0.61 1.46 -0.03 -0.40 -1.64 0.00 0.00 178.16 178.16 1yjx n ASP 120 N -3.88 1.93 -4.39 -2.11 5.68 -1.26 -1.23 116.55 111.29 1yjx n ASP 120 Ca -0.15 -2.45 -0.43 0.00 -0.50 0.00 0.00 54.79 51.26 1yjx n ASP 120 Cb 0.98 -0.21 -0.09 0.00 -1.14 0.00 0.00 41.12 40.66 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 -1.76 5.05 0.54 2.12 1.01 -1.26 -4.90 120.40 121.20 1yjx s VAL 121 Ca 0.15 -0.97 -0.18 0.00 0.00 0.00 0.00 61.98 60.98 1yjx s VAL 121 Cb 0.13 -3.94 -0.06 0.00 0.00 0.00 0.00 36.38 32.51 1yjx s VAL 121 CO 0.01 -0.46 1.06 -2.16 0.00 0.00 0.00 175.10 173.56 1yjx s PRO 122 N 1.62 3.50 0.97 2.72 0.04 -1.26 -4.67 135.00 137.92 1yjx s PRO 122 Ca 0.04 1.35 -0.14 0.00 0.04 0.00 0.00 61.00 62.29 1yjx s PRO 122 Cb -0.22 -2.05 0.17 0.00 0.04 0.00 0.00 34.50 32.44 1yjx s PRO 122 CO 0.07 -0.68 1.14 -1.25 0.04 0.00 0.00 177.00 176.33 1yjx s PRO 123 N -3.59 0.62 0.49 0.56 0.04 -1.26 -4.95 135.00 126.92 1yjx s PRO 123 Ca 0.67 0.20 -0.22 0.00 0.04 0.00 0.00 61.00 61.69 1yjx s PRO 123 Cb -0.18 -1.79 -0.08 0.00 0.04 0.00 0.00 34.50 32.50 1yjx s PRO 123 CO 0.28 -2.53 1.08 -2.30 0.04 0.00 0.00 177.00 173.57 1yjx n PRO 124 N -3.98 1.36 -2.00 0.56 -0.02 -1.26 -4.77 135.00 124.89 1yjx n PRO 124 Ca 0.08 0.50 -0.36 0.00 -2.02 0.00 0.00 63.50 61.70 1yjx n PRO 124 Cb 0.59 -2.21 0.03 0.00 -0.02 0.00 0.00 33.50 31.90 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 -2.38 2.96 -0.55 0.52 0.02 -1.26 0.12 135.00 134.44 1yjx s PRO 125 Ca 0.67 1.80 -0.24 0.00 0.02 0.00 0.00 61.00 63.25 1yjx s PRO 125 Cb -0.49 -1.93 0.04 0.00 0.02 0.00 0.00 34.50 32.14 1yjx s PRO 125 CO 0.53 -1.21 0.96 1.41 -0.33 0.00 0.00 177.00 178.36 1yjx s MET 126 N -3.37 3.35 0.59 5.54 1.75 -0.57 -3.02 119.30 123.57 1yjx s MET 126 Ca 0.77 -0.21 -0.16 0.00 -1.25 0.00 0.00 55.69 54.84 1yjx s MET 126 Cb -0.30 -4.04 -0.04 0.00 2.84 0.00 0.00 34.83 33.29 1yjx s MET 126 CO 0.33 -1.48 1.06 -1.21 -0.65 0.00 0.00 175.02 173.07 1yjx s GLU 127 N 4.00 3.34 0.62 4.11 0.41 -1.26 -4.89 118.70 125.02 1yjx s GLU 127 Ca 0.32 1.21 0.29 0.00 -0.41 0.00 0.00 54.97 56.38 1yjx s GLU 127 Cb -0.12 -2.04 1.59 0.00 -1.78 0.00 0.00 34.13 31.78 1yjx s GLU 127 CO 0.20 -0.79 1.88 -1.35 -0.49 0.00 0.00 175.26 174.71 1yjx h PRO 128 N 0.50 0.00 -0.53 0.39 0.11 -1.99 0.22 132.00 130.70 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 0.57 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.96 1yjx n ASP 129 N -2.79 3.40 -4.77 -2.05 5.75 -1.26 -4.80 116.55 110.04 1yjx n ASP 129 Ca -0.02 -1.98 -0.39 0.00 -0.01 0.00 0.00 54.79 52.39 1yjx n ASP 129 Cb 0.33 -0.35 -0.02 0.00 -1.03 0.00 0.00 41.12 40.05 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 -1.30 3.15 0.65 2.11 2.46 0.78 -4.90 115.29 118.24 1yjx s HIS 130 Ca 0.42 1.55 0.28 0.00 0.47 0.00 0.00 55.06 57.78 1yjx s HIS 130 Cb 0.23 -3.44 1.51 0.00 -0.13 0.00 0.00 32.58 30.75 1yjx s HIS 130 CO 0.31 -1.31 1.87 -1.35 -2.47 0.00 0.00 174.74 171.78 1yjx h PRO 131 N 3.00 0.00 0.00 2.88 0.11 -1.92 -1.53 132.00 134.54 1yjx h PRO 131 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1yjx h PRO 131 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1yjx h PRO 131 CO 0.64 0.00 -0.02 1.19 -0.21 0.00 0.00 178.00 179.60 1yjx n PHE 132 N -3.06 0.00 0.12 0.65 3.72 -1.26 -4.80 117.46 112.84 1yjx n PHE 132 Ca 0.00 -0.70 -0.13 0.00 -0.05 0.00 0.00 57.45 56.57 1yjx n PHE 132 Cb 0.48 -0.10 -0.08 0.00 -0.94 0.00 0.00 39.48 38.84 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 0.00 -1.20 -0.49 1.38 3.20 -1.54 -0.81 116.97 117.51 1yjx h TYR 133 Ca 0.00 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.87 1yjx h TYR 133 Cb 0.81 0.50 -0.02 0.00 1.54 0.00 0.00 36.73 39.55 1yjx h TYR 133 CO 0.00 -0.49 0.21 0.77 -1.64 0.00 0.00 178.16 177.01 1yjx h SER 134 N -0.65 0.67 -1.00 -2.11 0.02 -1.88 0.28 113.55 108.88 1yjx h SER 134 Ca -0.02 -0.16 0.20 0.00 -0.84 0.00 0.00 61.79 60.98 1yjx h SER 134 Cb 0.62 -0.17 -0.11 0.00 0.14 0.00 0.00 62.40 62.88 1yjx h SER 134 CO -0.19 0.64 0.60 -1.13 -1.14 0.00 0.00 176.83 175.61 1yjx h ASN 135 N 0.65 0.74 0.00 3.07 -0.73 -1.81 -2.14 115.58 115.37 1yjx h ASN 135 Ca 0.17 0.11 0.00 0.00 1.87 0.00 0.00 56.30 58.44 1yjx h ASN 135 Cb 0.17 -0.02 0.00 0.00 0.27 0.00 0.00 38.32 38.74 1yjx h ASN 135 CO -0.02 0.23 0.00 -0.38 -0.37 0.00 0.00 177.43 176.89 1yjx n ILE 136 N -4.81 0.00 0.21 2.57 2.08 -0.33 -4.15 119.36 114.94 1yjx n ILE 136 Ca 0.24 0.28 0.09 0.00 0.56 0.00 0.00 62.75 63.92 1yjx n ILE 136 Cb 0.61 -1.16 0.47 0.00 -0.75 0.00 0.00 39.64 38.81 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 -0.24 4.38 4.64 -1.06 0.13 113.55 121.40 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 -2.29 2.87 -1.84 4.77 5.02 -0.80 -4.99 118.16 120.91 1yjx n LYS 138 Ca -0.01 -1.96 -0.42 0.00 -2.02 0.00 0.00 58.31 53.89 1yjx n LYS 138 Cb 0.35 -1.24 -0.03 0.00 -0.02 0.00 0.00 35.03 34.09 1yjx n LYS 138 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1yjx s ASP 139 N -1.10 6.53 0.37 4.39 3.68 0.45 -4.82 116.67 126.17 1yjx s ASP 139 Ca 0.18 2.58 0.20 0.00 2.13 0.00 0.00 52.55 57.64 1yjx s ASP 139 Cb 0.11 -2.56 1.33 0.00 -1.45 0.00 0.00 42.92 40.34 1yjx s ASP 139 CO 0.11 -0.95 1.58 -0.09 0.13 0.00 0.00 175.17 175.95 1yjx h ARG 140 N 8.75 0.01 -0.99 4.34 2.43 -1.93 -0.53 114.38 126.45 1yjx h ARG 140 Ca -0.44 -0.00 0.36 0.00 -0.81 0.00 0.00 59.98 59.08 1yjx h ARG 140 Cb 1.21 -0.00 -0.17 0.00 -0.42 0.00 0.00 29.97 30.59 1yjx h ARG 140 CO 0.94 0.01 0.48 -0.09 -1.51 0.00 0.00 179.97 179.80 1yjx h ARG 141 N 0.01 0.14 -0.50 0.20 2.43 -1.95 0.45 114.38 115.16 1yjx h ARG 141 Ca 0.84 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 60.00 1yjx h ARG 141 Cb 2.21 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 31.72 1yjx h ARG 141 CO -0.77 0.09 0.00 0.66 -1.51 0.00 0.00 179.97 178.44 1yjx n TYR 142 N -5.20 1.65 -0.27 2.20 4.01 -0.21 -4.68 117.16 114.66 1yjx n TYR 142 Ca 0.33 -0.74 0.15 0.00 -0.16 0.00 0.00 57.90 57.48 1yjx n TYR 142 Cb 1.08 -0.40 0.42 0.00 -0.31 0.00 0.00 39.34 40.13 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 3.40 1.95 -0.11 -0.72 0.00 -0.99 -1.62 119.26 121.16 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 1.72 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.43 1yjx h ALA 143 CO 0.37 -0.22 0.00 -0.25 0.00 0.00 0.00 179.25 179.15 1yjx n ASP 144 N -4.57 0.62 -4.78 0.00 8.00 -1.26 -4.82 116.55 109.74 1yjx n ASP 144 Ca 0.19 -1.97 -0.39 0.00 0.71 0.00 0.00 54.79 53.33 1yjx n ASP 144 Cb 0.57 -0.08 -0.06 0.00 -0.02 0.00 0.00 41.12 41.53 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 -1.04 4.47 1.12 0.64 1.43 -0.61 -5.05 118.68 119.64 1yjx s LEU 145 Ca 0.09 1.27 -0.14 0.00 -1.03 0.00 0.00 54.13 54.32 1yjx s LEU 145 Cb 0.05 -2.99 0.25 0.00 0.03 0.00 0.00 46.19 43.54 1yjx s LEU 145 CO 0.06 0.16 1.06 0.42 0.23 0.00 0.00 176.35 178.28 1yjx s THR 146 N -0.56 1.91 0.49 5.49 -4.23 -1.26 -4.70 115.64 112.78 1yjx s THR 146 Ca 0.32 0.00 0.21 0.00 -1.18 0.00 0.00 61.69 61.04 1yjx s THR 146 Cb -0.19 -2.30 0.26 0.00 1.34 0.00 0.00 72.50 71.61 1yjx s THR 146 CO 0.19 0.00 2.10 1.05 -0.54 0.00 0.00 174.62 177.42 1yjx h GLU 147 N -2.39 0.00 0.18 3.99 9.09 -1.97 -2.30 114.58 121.19 1yjx h GLU 147 Ca -0.56 0.00 -0.30 0.00 0.05 0.00 0.00 59.36 58.55 1yjx h GLU 147 Cb 1.33 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 28.45 1yjx h GLU 147 CO 0.51 0.09 -1.34 -0.44 0.05 0.00 0.00 179.01 177.88 1yjx h ASP 148 N 0.00 0.60 -0.23 3.06 3.32 -2.04 -3.36 116.42 117.79 1yjx h ASP 148 Ca -0.00 -0.65 -0.03 0.00 0.02 0.00 0.00 57.03 56.38 1yjx h ASP 148 Cb 0.20 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1yjx h ASP 148 CO 0.01 1.51 0.03 1.56 -1.72 0.00 0.00 179.24 180.63 1yjx h GLN 149 N 0.11 0.38 -6.15 3.56 4.20 -1.75 -3.41 115.11 112.04 1yjx h GLN 149 Ca -0.19 -0.10 -0.58 0.00 0.06 0.00 0.00 58.65 57.84 1yjx h GLN 149 Cb 2.06 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 29.78 1yjx h GLN 149 CO 0.24 0.52 1.36 -1.17 -0.67 0.00 0.00 178.83 179.11 1yjx s LEU 150 N -9.60 3.50 0.52 1.46 1.98 -0.97 -4.95 118.68 110.62 1yjx s LEU 150 Ca -0.14 1.58 -0.09 0.00 -2.89 0.00 0.00 54.13 52.60 1yjx s LEU 150 Cb 0.07 -3.52 -0.05 0.00 0.66 0.00 0.00 46.19 43.36 1yjx s LEU 150 CO 0.73 -1.79 0.88 -2.16 -1.89 0.00 0.00 176.35 172.12 1yjx s PRO 151 N 5.90 3.64 0.00 0.98 0.04 -1.26 -4.97 135.00 139.33 1yjx s PRO 151 Ca 0.89 0.50 0.11 0.00 0.04 0.00 0.00 61.00 62.54 1yjx s PRO 151 Cb -0.27 -2.26 -0.04 0.00 0.04 0.00 0.00 34.50 31.97 1yjx s PRO 151 CO 0.34 -0.30 0.61 -1.13 0.04 0.00 0.00 177.00 176.56 1yjx n SER 152 N -2.19 1.04 0.00 6.66 3.41 -1.26 -4.98 113.62 116.30 1yjx n SER 152 Ca 0.03 -1.02 0.00 0.00 -0.26 0.00 0.00 58.87 57.62 1yjx n SER 152 Cb 0.54 0.65 0.00 0.00 -0.26 0.00 0.00 64.21 65.14 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 0.32 0.36 0.00 2.02 -0.18 -4.91 118.70 114.32 1yjx s GLU 154 Ca 0.00 0.01 0.02 0.00 0.02 0.00 0.00 54.97 55.02 1yjx s GLU 154 Cb 0.00 0.14 -0.02 0.00 0.10 0.00 0.00 34.13 34.36 1yjx s GLU 154 CO 0.00 -0.06 0.55 -1.54 0.02 0.00 0.00 175.26 174.22 1yjx s SER 155 N -0.48 6.08 0.32 -0.19 1.04 -1.26 -4.34 113.70 114.87 1yjx s SER 155 Ca -0.06 0.21 0.07 0.00 0.48 0.00 0.00 55.95 56.66 1yjx s SER 155 Cb -0.04 -1.68 0.76 0.00 0.10 0.00 0.00 66.02 65.17 1yjx s SER 155 CO 0.01 -0.43 1.80 0.25 0.98 0.00 0.00 173.24 175.85 1yjx h LEU 156 N 0.72 0.76 -0.82 2.42 5.85 -1.72 0.33 115.31 122.85 1yjx h LEU 156 Ca -0.48 0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.29 1yjx h LEU 156 Cb 1.24 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 42.18 1yjx h LEU 156 CO 0.58 0.29 0.37 0.50 -0.34 0.00 0.00 178.44 179.85 1yjx h LYS 157 N 0.75 1.20 -0.85 1.25 3.64 -1.51 -1.00 116.57 120.04 1yjx h LYS 157 Ca 0.55 -0.19 -0.03 0.00 -1.27 0.00 0.00 60.65 59.71 1yjx h LYS 157 Cb 0.88 -0.21 -0.04 0.00 -0.41 0.00 0.00 32.23 32.45 1yjx h LYS 157 CO -0.34 0.94 0.41 -0.44 -2.27 0.00 0.00 179.45 177.75 1yjx h ASP 158 N 1.18 1.12 0.23 4.20 3.32 -0.70 0.14 116.42 125.90 1yjx h ASP 158 Ca 0.28 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 1yjx h ASP 158 Cb 0.15 -0.29 0.00 0.00 0.22 0.00 0.00 39.33 39.42 1yjx h ASP 158 CO -0.03 0.94 -0.11 0.74 -1.72 0.00 0.00 179.24 179.06 1yjx h THR 159 N 1.22 0.82 -0.68 0.35 2.02 -0.38 -2.84 112.91 113.41 1yjx h THR 159 Ca 0.29 -0.23 0.06 0.00 0.77 0.00 0.00 66.41 67.31 1yjx h THR 159 Cb 0.12 0.95 -0.06 0.00 -1.74 0.00 0.00 68.15 67.43 1yjx h THR 159 CO -0.04 0.05 0.38 0.40 0.37 0.00 0.00 175.52 176.68 1yjx h ILE 160 N -0.41 0.97 -0.99 3.11 2.04 -0.98 -1.62 117.51 119.62 1yjx h ILE 160 Ca -0.03 -0.24 0.16 0.00 1.00 0.00 0.00 64.86 65.75 1yjx h ILE 160 Cb 0.32 0.21 -0.09 0.00 -0.74 0.00 0.00 36.82 36.51 1yjx h ILE 160 CO 0.05 0.13 0.62 0.00 0.00 0.00 0.00 178.15 178.94 1yjx h ALA 161 N 1.35 1.67 -0.01 1.87 0.00 -0.75 0.17 119.26 123.57 1yjx h ALA 161 Ca 0.30 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1yjx h ALA 161 Cb 0.19 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1yjx h ALA 161 CO -0.18 0.01 -0.28 2.89 0.00 0.00 0.00 179.25 181.69 1yjx n ARG 162 N -4.68 1.10 -0.10 0.00 -4.01 -0.90 -4.29 116.66 103.78 1yjx n ARG 162 Ca 0.21 -0.75 -0.17 0.00 -1.04 0.00 0.00 57.85 56.10 1yjx n ARG 162 Cb 0.50 -1.48 -0.08 0.00 -3.04 0.00 0.00 32.46 28.35 1yjx n ARG 162 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1yjx n ALA 163 N -0.30 0.73 -0.33 2.89 0.00 0.40 -4.37 120.51 119.53 1yjx n ALA 163 Ca 0.12 -0.54 0.12 0.00 0.00 0.00 0.00 53.44 53.13 1yjx n ALA 163 Cb 0.39 -0.30 0.30 0.00 0.00 0.00 0.00 19.45 19.84 1yjx n ALA 163 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1yjx h LEU 164 N -1.00 0.66 -1.86 0.00 -0.00 -1.19 0.33 115.31 112.25 1yjx h LEU 164 Ca -0.27 0.10 0.18 0.00 -0.00 0.00 0.00 57.88 57.89 1yjx h LEU 164 Cb 1.10 -0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.72 1yjx h LEU 164 CO -0.16 0.22 0.47 -0.65 -0.00 0.00 0.00 178.44 178.32 1yjx h PRO 165 N 0.67 0.13 0.22 1.13 0.11 -1.77 1.11 132.00 133.60 1yjx h PRO 165 Ca 0.55 -0.01 -0.33 0.00 0.11 0.00 0.00 66.00 66.33 1yjx h PRO 165 Cb 0.87 -0.03 0.03 0.00 0.11 0.00 0.00 31.00 31.98 1yjx h PRO 165 CO -0.40 0.08 -1.41 0.35 -0.21 0.00 0.00 178.00 176.41 1yjx h PHE 166 N 0.13 0.96 -0.43 0.65 3.57 -0.57 -2.10 116.94 119.15 1yjx h PHE 166 Ca 0.33 -0.68 0.01 0.00 3.53 0.00 0.00 57.97 61.15 1yjx h PHE 166 Cb 1.11 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.78 1yjx h PHE 166 CO -0.00 1.52 0.28 2.35 -2.23 0.00 0.00 178.31 180.24 1yjx h TRP 167 N 0.17 0.54 0.00 0.41 2.91 0.35 0.11 115.95 120.44 1yjx h TRP 167 Ca -0.23 0.01 0.00 0.00 1.13 0.00 0.00 58.89 59.80 1yjx h TRP 167 Cb 2.10 -0.18 0.00 0.00 -0.51 0.00 0.00 29.16 30.57 1yjx h TRP 167 CO 0.12 0.34 0.00 0.09 -1.03 0.00 0.00 178.44 177.96 1yjx n ASN 168 N -4.79 0.00 0.15 2.65 3.02 0.35 -0.20 115.26 116.44 1yjx n ASN 168 Ca 0.01 0.88 0.03 0.00 -0.03 0.00 0.00 54.58 55.48 1yjx n ASN 168 Cb 0.03 -0.44 0.42 0.00 -0.61 0.00 0.00 39.78 39.17 1yjx n ASN 168 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1yjx h GLU 169 N 0.00 0.15 0.00 3.52 5.08 -1.45 -3.32 114.58 118.56 1yjx h GLU 169 Ca 0.00 -0.03 -0.32 0.00 -1.00 0.00 0.00 59.36 58.01 1yjx h GLU 169 Cb 0.00 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.18 1yjx h GLU 169 CO 0.00 0.32 -2.08 0.39 -1.00 0.00 0.00 179.01 176.64 1yjx n GLU 170 N -4.28 0.43 -0.05 2.33 -0.58 0.36 -4.66 120.64 114.19 1yjx n GLU 170 Ca -0.01 0.16 -0.06 0.00 -0.42 0.00 0.00 57.16 56.83 1yjx n GLU 170 Cb 0.27 -1.24 -0.06 0.00 -0.57 0.00 0.00 31.44 29.84 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 -0.53 0.79 -0.75 -3.67 2.04 -1.10 -3.34 117.51 110.95 1yjx h ILE 171 Ca -0.48 -1.56 0.14 0.00 1.00 0.00 0.00 64.86 63.96 1yjx h ILE 171 Cb 1.49 1.48 -0.14 0.00 -0.74 0.00 0.00 36.82 38.91 1yjx h ILE 171 CO -0.24 0.26 -0.28 0.58 0.00 0.00 0.00 178.15 178.47 1yjx h VAL 172 N -0.99 0.16 -0.62 1.67 2.07 -0.68 -0.06 116.25 117.79 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 0.45 0.16 -0.11 0.00 -1.52 0.00 0.00 31.29 30.27 1yjx h VAL 172 CO 0.00 0.00 -0.04 -0.65 0.02 0.00 0.00 177.57 176.90 1yjx h PRO 173 N -0.06 0.08 -0.23 1.57 0.11 -1.73 -0.16 132.00 131.58 1yjx h PRO 173 Ca 0.32 -0.00 0.04 0.00 0.11 0.00 0.00 66.00 66.46 1yjx h PRO 173 Cb 0.57 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 31.63 1yjx h PRO 173 CO -0.79 0.05 0.00 1.96 -0.21 0.00 0.00 178.00 179.01 1yjx h GLN 174 N 0.08 0.07 -0.60 1.05 1.08 -1.15 -1.14 115.11 114.51 1yjx h GLN 174 Ca 0.32 -0.00 0.04 0.00 -1.45 0.00 0.00 58.65 57.56 1yjx h GLN 174 Cb 0.51 -0.02 -0.05 0.00 -0.05 0.00 0.00 27.48 27.88 1yjx h GLN 174 CO -0.56 0.05 0.34 0.82 -0.95 0.00 0.00 178.83 178.53 1yjx h ILE 175 N 0.08 1.00 0.00 2.54 2.04 -0.57 -1.30 117.51 121.29 1yjx h ILE 175 Ca 0.11 -0.22 -0.03 0.00 1.00 0.00 0.00 64.86 65.71 1yjx h ILE 175 Cb 0.13 0.30 -0.00 0.00 -0.74 0.00 0.00 36.82 36.50 1yjx h ILE 175 CO -0.18 0.12 -0.16 0.11 0.00 0.00 0.00 178.15 178.04 1yjx h LYS 176 N 0.65 0.00 0.00 2.37 1.57 -0.59 -2.04 116.57 118.52 1yjx h LYS 176 Ca 0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 1yjx h LYS 176 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.42 1yjx h LYS 176 CO -0.15 0.16 0.00 0.39 -0.57 0.00 0.00 179.45 179.28 1yjx n GLU 177 N -4.07 0.95 -0.49 3.15 1.02 -0.47 -4.87 120.64 115.86 1yjx n GLU 177 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 1yjx n GLU 177 Cb 0.24 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 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 0.88 0.74 3.70 0.62 0.00 -0.77 -5.04 105.19 105.33 1yjx n GLY 178 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.51 4.38 -0.51 1.61 -0.14 -0.88 -4.96 119.74 118.73 1yjx s LYS 179 Ca 0.00 1.78 -0.29 0.00 -1.36 0.00 0.00 55.97 56.10 1yjx s LYS 179 Cb 0.00 -3.44 0.03 0.00 -1.68 0.00 0.00 37.83 32.74 1yjx s LYS 179 CO 0.00 -0.37 1.18 1.03 -0.76 0.00 0.00 175.35 176.43 1yjx s ARG 180 N 1.60 3.64 0.14 1.68 3.00 -1.26 -4.27 118.95 123.48 1yjx s ARG 180 Ca 0.59 0.48 -0.14 0.00 0.00 0.00 0.00 55.73 56.66 1yjx s ARG 180 Cb -0.29 -3.96 -0.07 0.00 0.00 0.00 0.00 34.95 30.64 1yjx s ARG 180 CO 0.27 -1.51 0.54 0.08 0.00 0.00 0.00 175.30 174.68 1yjx s VAL 181 N 4.72 4.87 -0.11 3.52 1.01 -1.26 -0.68 120.40 132.48 1yjx s VAL 181 Ca 0.47 0.80 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 32.60 1yjx s VAL 181 CO 0.30 0.25 -0.10 -0.22 0.00 0.00 0.00 175.10 175.32 1yjx s LEU 182 N -1.95 1.38 -0.23 3.92 2.96 -1.05 -1.45 118.68 122.25 1yjx s LEU 182 Ca 0.37 -0.35 -0.01 0.00 -0.22 0.00 0.00 54.13 53.92 1yjx s LEU 182 Cb -0.15 -0.93 0.02 0.00 0.50 0.00 0.00 46.19 45.63 1yjx s LEU 182 CO 0.19 -0.08 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.43 1yjx s ILE 183 N 1.49 2.79 -0.37 6.68 1.01 0.70 -1.50 121.20 132.00 1yjx s ILE 183 Ca 0.02 -0.92 -0.09 0.00 0.00 0.00 0.00 60.65 59.66 1yjx s ILE 183 Cb -0.13 -2.35 0.04 0.00 0.01 0.00 0.00 42.46 40.03 1yjx s ILE 183 CO -0.07 0.30 0.19 0.00 0.00 0.00 0.00 174.94 175.36 1yjx s ALA 184 N 1.34 3.20 0.00 9.38 0.00 -0.28 -0.67 121.76 134.74 1yjx s ALA 184 Ca 0.02 -1.84 0.00 0.00 0.00 0.00 0.00 51.96 50.14 1yjx s ALA 184 Cb -0.16 -2.50 0.00 0.00 0.00 0.00 0.00 23.12 20.46 1yjx s ALA 184 CO -0.06 -1.44 0.00 0.00 0.00 0.00 0.00 175.76 174.26 1yjx n ALA 185 N 4.91 0.00 -2.51 0.00 0.00 -0.75 -3.71 120.51 118.45 1yjx n ALA 185 Ca -0.11 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.08 1yjx n ALA 185 Cb 0.45 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.82 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 1.03 2.60 0.12 0.00 3.76 -1.26 -2.61 115.29 118.93 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 -1.66 -0.12 0.00 1.11 0.00 0.00 32.58 31.91 1yjx s HIS 186 CO 0.00 0.37 1.56 0.78 -0.85 0.00 0.00 174.74 176.59 1yjx h GLY 187 N 1.65 -1.03 1.41 -2.22 0.00 -1.95 0.23 103.07 101.16 1yjx h GLY 187 Ca -0.43 0.67 -0.14 0.00 0.00 0.00 0.00 47.33 47.43 1yjx h GLY 187 CO 0.68 -0.19 -0.40 3.43 0.00 0.00 0.00 176.54 180.06 1yjx h ASN 188 N -0.56 0.69 -0.42 0.19 2.35 -1.97 -0.92 115.58 114.94 1yjx h ASN 188 Ca 0.04 -0.31 -0.12 0.00 -0.55 0.00 0.00 56.30 55.37 1yjx h ASN 188 Cb 0.67 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.84 1yjx h ASN 188 CO -0.45 1.00 -0.20 0.77 -1.65 0.00 0.00 177.43 176.90 1yjx h SER 189 N 0.53 0.90 -0.26 5.81 4.64 -1.73 -2.51 113.55 120.94 1yjx h SER 189 Ca 0.05 -0.40 -0.05 0.00 -0.47 0.00 0.00 61.79 60.91 1yjx h SER 189 Cb 0.92 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.74 1yjx h SER 189 CO 0.08 1.11 0.01 -0.07 -0.87 0.00 0.00 176.83 177.09 1yjx h LEU 190 N 0.70 0.53 -0.80 5.97 3.38 -0.87 -1.65 115.31 122.57 1yjx h LEU 190 Ca 0.09 -0.10 0.04 0.00 0.09 0.00 0.00 57.88 58.00 1yjx h LEU 190 Cb 0.77 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.32 1yjx h LEU 190 CO 0.06 0.60 0.50 0.03 0.09 0.00 0.00 178.44 179.72 1yjx h ARG 191 N 0.54 0.93 -0.27 1.13 3.08 -0.84 -0.69 114.38 118.26 1yjx h ARG 191 Ca 0.12 -0.06 0.06 0.00 0.07 0.00 0.00 59.98 60.17 1yjx h ARG 191 Cb 0.34 -0.21 -0.06 0.00 0.08 0.00 0.00 29.97 30.11 1yjx h ARG 191 CO 0.01 0.62 -0.13 0.78 -1.07 0.00 0.00 179.97 180.17 1yjx h GLY 192 N 0.96 0.08 0.87 0.04 0.00 -0.87 0.40 103.07 104.55 1yjx h GLY 192 Ca 0.33 0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.82 1yjx h GLY 192 CO -0.14 -0.15 -0.22 -2.22 0.00 0.00 0.00 176.54 173.82 1yjx h ILE 193 N -0.10 0.55 -0.28 2.60 5.03 -1.25 -1.86 117.51 122.19 1yjx h ILE 193 Ca 0.14 0.00 0.06 0.00 -0.12 0.00 0.00 64.86 64.94 1yjx h ILE 193 Cb 0.32 0.55 -0.06 0.00 -3.03 0.00 0.00 36.82 34.59 1yjx h ILE 193 CO -0.33 0.00 -0.10 0.58 -0.68 0.00 0.00 178.15 177.62 1yjx h VAL 194 N -0.53 0.66 -0.93 1.67 2.07 -0.64 0.11 116.25 118.67 1yjx h VAL 194 Ca -0.03 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.59 1yjx h VAL 194 Cb 0.44 0.66 -0.08 0.00 -1.52 0.00 0.00 31.29 30.80 1yjx h VAL 194 CO 0.02 0.00 0.57 0.50 0.02 0.00 0.00 177.57 178.67 1yjx h LYS 195 N -0.04 0.91 0.02 1.57 3.64 -0.09 -0.15 116.57 122.43 1yjx h LYS 195 Ca 0.14 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1yjx h LYS 195 Cb 0.25 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 1yjx h LYS 195 CO -0.31 0.60 -0.01 1.25 -2.27 0.00 0.00 179.45 178.70 1yjx h HIS 196 N 0.93 -0.03 -0.15 1.91 2.76 -0.37 0.21 115.15 120.41 1yjx h HIS 196 Ca 0.44 -0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.63 1yjx h HIS 196 Cb 0.39 0.01 -0.02 0.00 1.55 0.00 0.00 27.41 29.34 1yjx h HIS 196 CO -0.03 0.32 0.04 -0.07 -1.30 0.00 0.00 177.93 176.88 1yjx h LEU 197 N -0.38 0.03 -0.61 0.26 3.38 -0.41 -2.97 115.31 114.61 1yjx h LEU 197 Ca -0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1yjx h LEU 197 Cb 0.36 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1yjx h LEU 197 CO 0.01 0.04 -0.13 -0.62 0.09 0.00 0.00 178.44 177.82 1yjx n GLU 198 N -5.07 1.12 -3.88 1.13 1.02 -0.11 -4.52 120.64 110.34 1yjx n GLU 198 Ca -0.04 -0.61 -0.29 0.00 -0.02 0.00 0.00 57.16 56.20 1yjx n GLU 198 Cb 0.07 -1.49 0.03 0.00 -0.02 0.00 0.00 31.44 30.03 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 1.26 -0.49 3.80 0.62 0.00 0.68 -4.94 105.19 106.12 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 -7.25 3.49 0.81 0.99 1.43 -0.91 -5.04 118.68 112.19 1yjx s LEU 200 Ca 0.62 1.84 -0.12 0.00 -1.03 0.00 0.00 54.13 55.44 1yjx s LEU 200 Cb -0.31 -4.54 0.08 0.00 0.03 0.00 0.00 46.19 41.45 1yjx s LEU 200 CO 0.82 -1.22 1.11 -0.94 0.23 0.00 0.00 176.35 176.35 1yjx s SER 201 N -2.74 4.45 0.18 2.29 1.04 -1.26 -4.83 113.70 112.82 1yjx s SER 201 Ca 0.64 1.17 -0.12 0.00 0.48 0.00 0.00 55.95 58.13 1yjx s SER 201 Cb -0.17 -1.87 0.10 0.00 0.10 0.00 0.00 66.02 64.18 1yjx s SER 201 CO 0.37 -1.98 1.78 -0.33 0.98 0.00 0.00 173.24 174.06 1yjx h GLU 202 N -1.10 0.91 0.15 4.02 5.08 -1.99 -1.20 114.58 120.45 1yjx h GLU 202 Ca -0.47 -0.13 0.02 0.00 -1.00 0.00 0.00 59.36 57.78 1yjx h GLU 202 Cb 1.28 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 30.33 1yjx h GLU 202 CO 0.61 0.72 -0.35 0.93 -1.00 0.00 0.00 179.01 179.92 1yjx h GLU 203 N 0.88 -0.57 -0.61 2.33 4.39 -2.00 -1.91 114.58 117.07 1yjx h GLU 203 Ca 0.22 0.04 0.13 0.00 0.34 0.00 0.00 59.36 60.09 1yjx h GLU 203 Cb 0.10 0.13 -0.10 0.00 -0.10 0.00 0.00 28.75 28.78 1yjx h GLU 203 CO -0.03 -0.38 0.03 0.00 -1.16 0.00 0.00 179.01 177.47 1yjx h ALA 204 N -0.00 0.64 -0.38 3.43 0.00 -1.79 -2.50 119.26 118.66 1yjx h ALA 204 Ca 0.02 0.18 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 1yjx h ALA 204 Cb 0.61 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 1yjx h ALA 204 CO -0.19 -0.38 -0.17 0.97 0.00 0.00 0.00 179.25 179.48 1yjx h ILE 205 N 0.15 1.26 0.00 0.00 6.09 -0.87 -2.78 117.51 121.36 1yjx h ILE 205 Ca 0.32 -1.23 -0.02 0.00 -1.37 0.00 0.00 64.86 62.57 1yjx h ILE 205 Cb 0.52 1.15 -0.00 0.00 0.47 0.00 0.00 36.82 38.96 1yjx h ILE 205 CO -0.50 0.41 -0.09 0.24 -3.07 0.00 0.00 178.15 175.14 1yjx h MET 206 N 0.63 0.00 0.00 2.19 2.86 -0.89 -2.45 114.93 117.27 1yjx h MET 206 Ca 0.10 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.55 1yjx h MET 206 Cb 0.64 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.27 1yjx h MET 206 CO 0.05 0.09 -1.34 0.93 1.06 0.00 0.00 176.91 177.70 1yjx h GLU 207 N 0.00 0.00 -6.54 1.72 3.07 -1.44 -3.47 114.58 107.91 1yjx h GLU 207 Ca -0.00 0.00 -0.53 0.00 -0.50 0.00 0.00 59.36 58.33 1yjx h GLU 207 Cb 0.20 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.14 1yjx h GLU 207 CO 0.01 0.39 0.71 -1.17 -1.40 0.00 0.00 179.01 177.55 1yjx s LEU 208 N -5.97 4.37 -0.29 1.33 2.96 -0.92 -5.01 118.68 115.15 1yjx s LEU 208 Ca -0.02 2.30 -0.01 0.00 -0.22 0.00 0.00 54.13 56.18 1yjx s LEU 208 Cb 0.08 -3.59 0.09 0.00 0.50 0.00 0.00 46.19 43.28 1yjx s LEU 208 CO 0.81 -0.63 0.07 0.20 -1.32 0.00 0.00 176.35 175.48 1yjx s ASN 209 N 1.08 3.92 0.39 3.68 -0.87 -1.26 -4.99 114.94 116.88 1yjx s ASN 209 Ca 0.64 -1.53 -0.27 0.00 -1.57 0.00 0.00 52.86 50.13 1yjx s ASN 209 Cb -0.36 -0.90 -0.10 0.00 -0.02 0.00 0.00 41.25 39.87 1yjx s ASN 209 CO 0.30 -0.38 1.37 -0.76 -2.57 0.00 0.00 177.10 175.06 1yjx s LEU 210 N 1.59 4.27 0.67 0.60 1.43 -1.26 -4.98 118.68 121.00 1yjx s LEU 210 Ca 0.07 2.82 -0.15 0.00 -1.03 0.00 0.00 54.13 55.83 1yjx s LEU 210 Cb -0.17 -3.79 0.01 0.00 0.03 0.00 0.00 46.19 42.26 1yjx s LEU 210 CO -0.21 -0.85 1.15 -2.84 0.23 0.00 0.00 176.35 173.83 1yjx s PRO 211 N -2.15 2.61 0.04 1.29 0.02 -1.26 -5.02 135.00 130.53 1yjx s PRO 211 Ca 0.55 1.54 -0.03 0.00 0.02 0.00 0.00 61.00 63.09 1yjx s PRO 211 Cb -0.42 -1.91 -0.04 0.00 0.02 0.00 0.00 34.50 32.15 1yjx s PRO 211 CO 0.55 -1.43 0.23 0.95 -0.33 0.00 0.00 177.00 176.98 1yjx s THR 212 N -2.16 5.36 0.00 0.99 -4.23 -1.26 -4.32 115.64 110.02 1yjx s THR 212 Ca 0.70 -0.15 0.00 0.00 -1.18 0.00 0.00 61.69 61.06 1yjx s THR 212 Cb -0.24 -3.59 0.00 0.00 1.34 0.00 0.00 72.50 70.01 1yjx s THR 212 CO 0.41 0.23 0.00 0.61 -0.54 0.00 0.00 174.62 175.34 1yjx n GLY 213 N 0.64 0.44 3.67 3.99 0.00 0.55 -4.79 105.19 109.69 1yjx n GLY 213 Ca -0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.75 5.29 0.05 -0.61 1.01 -1.26 -3.98 121.20 119.95 1yjx s ILE 214 Ca 0.00 0.15 -0.30 0.00 0.00 0.00 0.00 60.65 60.50 1yjx s ILE 214 Cb 0.00 -3.45 -0.09 0.00 0.01 0.00 0.00 42.46 38.94 1yjx s ILE 214 CO 0.00 0.39 1.89 -2.84 0.00 0.00 0.00 174.94 174.37 1yjx s PRO 215 N 0.79 4.15 -0.31 2.79 0.02 -1.26 -4.45 135.00 136.73 1yjx s PRO 215 Ca 0.07 2.55 -0.12 0.00 0.02 0.00 0.00 61.00 63.53 1yjx s PRO 215 Cb -0.13 -3.98 -0.03 0.00 0.02 0.00 0.00 34.50 30.38 1yjx s PRO 215 CO 0.02 -0.91 0.20 0.42 -0.33 0.00 0.00 177.00 176.41 1yjx s ILE 216 N 3.92 5.15 -0.18 2.83 1.01 0.12 -1.84 121.20 132.21 1yjx s ILE 216 Ca 0.84 -0.11 -0.07 0.00 0.00 0.00 0.00 60.65 61.31 1yjx s ILE 216 Cb -0.42 -3.57 -0.04 0.00 0.01 0.00 0.00 42.46 38.44 1yjx s ILE 216 CO 0.39 0.11 0.06 -0.69 0.00 0.00 0.00 174.94 174.80 1yjx s VAL 217 N 1.72 4.77 -0.00 2.92 1.01 0.37 -0.71 120.40 130.48 1yjx s VAL 217 Ca 0.06 -0.04 0.08 0.00 0.00 0.00 0.00 61.98 62.07 1yjx s VAL 217 Cb -0.17 -3.14 -0.02 0.00 0.00 0.00 0.00 36.38 33.04 1yjx s VAL 217 CO 0.10 0.46 -0.23 -0.31 0.00 0.00 0.00 175.10 175.12 1yjx s TYR 218 N 0.35 2.42 -0.28 5.22 1.51 -0.71 -1.41 117.35 124.45 1yjx s TYR 218 Ca 0.03 -0.37 -0.00 0.00 -1.01 0.00 0.00 57.07 55.72 1yjx s TYR 218 Cb -0.12 -1.49 0.05 0.00 -0.11 0.00 0.00 41.96 40.29 1yjx s TYR 218 CO 0.00 0.08 -0.04 -1.21 -1.11 0.00 0.00 175.55 173.26 1yjx s GLU 219 N -0.90 2.44 0.05 -0.62 2.02 -1.26 -2.46 118.70 117.97 1yjx s GLU 219 Ca 0.11 -1.24 0.02 0.00 0.02 0.00 0.00 54.97 53.87 1yjx s GLU 219 Cb -0.10 -3.06 -0.04 0.00 0.10 0.00 0.00 34.13 31.03 1yjx s GLU 219 CO 0.01 -0.57 0.11 -0.51 0.02 0.00 0.00 175.26 174.31 1yjx s LEU 220 N 1.22 3.94 0.00 1.80 1.43 0.54 -0.76 118.68 126.84 1yjx s LEU 220 Ca -0.05 0.09 -0.02 0.00 -1.03 0.00 0.00 54.13 53.11 1yjx s LEU 220 Cb -0.19 -2.52 0.09 0.00 0.03 0.00 0.00 46.19 43.59 1yjx s LEU 220 CO -0.03 0.20 0.56 -0.90 0.23 0.00 0.00 176.35 176.41 1yjx n ASP 221 N 0.62 0.56 -0.31 2.29 5.68 -0.58 0.64 116.55 125.46 1yjx n ASP 221 Ca -0.09 -1.52 0.35 0.00 -0.50 0.00 0.00 54.79 53.03 1yjx n ASP 221 Cb 0.52 -0.38 0.68 0.00 -1.14 0.00 0.00 41.12 40.80 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 -0.45 0.11 5.09 -1.92 0.10 116.57 119.50 1yjx h LYS 222 Ca -0.18 0.00 -0.13 0.00 0.09 0.00 0.00 60.65 60.42 1yjx h LYS 222 Cb 0.64 0.00 -0.08 0.00 0.10 0.00 0.00 32.23 32.89 1yjx h LYS 222 CO 0.18 0.00 0.08 0.09 -2.09 0.00 0.00 179.45 177.71 1yjx n ASN 223 N -3.77 3.75 -2.44 7.07 3.02 -1.26 -4.93 115.26 116.69 1yjx n ASN 223 Ca 0.26 -3.32 -0.21 0.00 -0.03 0.00 0.00 54.58 51.28 1yjx n ASN 223 Cb 1.39 -0.64 -0.00 0.00 -0.61 0.00 0.00 39.78 39.92 1yjx n ASN 223 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1yjx n LEU 224 N -0.61 -2.05 -4.47 3.41 4.77 0.36 -4.98 117.00 113.43 1yjx n LEU 224 Ca 0.32 -0.06 -0.35 0.00 -0.03 0.00 0.00 56.01 55.89 1yjx n LEU 224 Cb 1.11 -2.92 -0.12 0.00 -2.33 0.00 0.00 43.42 39.16 1yjx n LEU 224 CO 0.26 -0.15 -0.32 -0.75 -1.33 0.00 0.00 177.39 175.11 1yjx s LYS 225 N -5.13 3.66 0.12 3.23 2.20 -1.26 -4.81 119.74 117.76 1yjx s LYS 225 Ca 0.04 -0.50 -0.35 0.00 -0.36 0.00 0.00 55.97 54.81 1yjx s LYS 225 Cb -0.02 -3.12 -0.15 0.00 -1.51 0.00 0.00 37.83 33.03 1yjx s LYS 225 CO 0.05 0.02 1.53 -2.30 -0.36 0.00 0.00 175.35 174.29 1yjx n PRO 226 N 4.24 1.87 0.00 4.03 -0.02 -1.26 -1.52 135.00 142.34 1yjx n PRO 226 Ca -0.17 0.67 0.14 0.00 -2.02 0.00 0.00 63.50 62.12 1yjx n PRO 226 Cb 0.52 -2.41 0.52 0.00 -0.02 0.00 0.00 33.50 32.11 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 3.27 0.00 -3.56 4.25 -5.35 0.06 -4.90 119.36 113.14 1yjx n ILE 227 Ca 0.18 -0.09 -0.07 0.00 -0.27 0.00 0.00 62.75 62.49 1yjx n ILE 227 Cb 0.26 0.11 -0.03 0.00 -1.74 0.00 0.00 39.64 38.24 1yjx n ILE 227 CO 0.00 0.00 0.00 -1.59 -1.76 0.00 0.00 176.55 173.20 1yjx s LYS 228 N -2.46 0.58 0.84 6.28 -2.85 -1.26 -5.11 119.74 115.75 1yjx s LYS 228 Ca 0.28 -0.12 -0.15 0.00 -1.00 0.00 0.00 55.97 54.98 1yjx s LYS 228 Cb 0.20 0.27 -0.03 0.00 -2.06 0.00 0.00 37.83 36.20 1yjx s LYS 228 CO 0.49 -0.23 0.25 -0.35 0.10 0.00 0.00 175.35 175.61 1yjx n PRO 229 N 0.09 0.01 -1.83 1.78 -0.04 -1.26 -4.69 135.00 129.06 1yjx n PRO 229 Ca -0.06 0.04 -0.40 0.00 -0.04 0.00 0.00 63.50 63.04 1yjx n PRO 229 Cb 0.60 -1.68 0.01 0.00 -0.04 0.00 0.00 33.50 32.39 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 -2.90 3.82 0.17 0.54 0.23 -1.26 -4.90 119.30 115.00 1yjx s MET 230 Ca 0.58 2.42 0.08 0.00 -1.03 0.00 0.00 55.69 57.74 1yjx s MET 230 Cb -0.28 -2.74 -0.04 0.00 -1.53 0.00 0.00 34.83 30.24 1yjx s MET 230 CO 0.66 -0.71 -0.04 -0.65 -2.03 0.00 0.00 175.02 172.24 1yjx s GLN 231 N -2.34 2.27 0.27 3.16 -1.52 -0.50 -4.94 119.66 116.06 1yjx s GLN 231 Ca 0.59 -1.16 0.10 0.00 -1.95 0.00 0.00 55.36 52.93 1yjx s GLN 231 Cb -0.44 -2.29 -0.04 0.00 -0.22 0.00 0.00 33.01 30.02 1yjx s GLN 231 CO 0.57 0.45 -0.00 -0.06 -0.25 0.00 0.00 175.29 176.00 1yjx s PHE 232 N -1.69 2.67 -0.01 0.91 0.40 -1.26 -0.48 117.98 118.52 1yjx s PHE 232 Ca 0.26 -0.24 0.08 0.00 -0.60 0.00 0.00 56.93 56.42 1yjx s PHE 232 Cb -0.09 -1.22 -0.02 0.00 0.51 0.00 0.00 43.02 42.20 1yjx s PHE 232 CO 0.17 0.60 -0.24 -0.51 0.70 0.00 0.00 175.22 175.94 1yjx s LEU 233 N -3.68 2.06 0.00 -0.37 1.43 -0.77 -4.95 118.68 112.41 1yjx s LEU 233 Ca 0.32 -0.46 0.00 0.00 -1.03 0.00 0.00 54.13 52.96 1yjx s LEU 233 Cb -0.06 -1.25 0.00 0.00 0.03 0.00 0.00 46.19 44.91 1yjx s LEU 233 CO 0.20 0.29 0.00 0.61 0.23 0.00 0.00 176.35 177.68 1yjx n GLY 234 N 2.39 -0.28 3.87 -3.19 0.00 -1.26 -4.20 105.19 102.52 1yjx n GLY 234 Ca -0.16 -1.56 -0.31 0.00 0.00 0.00 0.00 46.02 43.99 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 -3.82 6.33 0.12 1.61 1.47 -1.26 -4.74 116.67 116.39 1yjx s ASP 235 Ca 0.00 1.36 -0.21 0.00 1.18 0.00 0.00 52.55 54.88 1yjx s ASP 235 Cb 0.00 -2.44 -0.02 0.00 -0.34 0.00 0.00 42.92 40.12 1yjx s ASP 235 CO 0.00 -0.74 1.12 -1.84 0.68 0.00 0.00 175.17 174.39 1yjx n GLU 236 N -2.36 -0.30 -0.02 2.11 -0.00 -1.26 -0.92 120.64 117.88 1yjx n GLU 236 Ca 0.05 1.10 -0.10 0.00 -0.00 0.00 0.00 57.16 58.21 1yjx n GLU 236 Cb 0.54 -1.62 -0.04 0.00 -0.00 0.00 0.00 31.44 30.32 1yjx n GLU 236 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.13 178.18 1yjx h GLU 237 N 0.00 0.16 -0.60 3.44 -0.00 -1.99 0.71 114.58 116.30 1yjx h GLU 237 Ca 0.13 -0.01 -0.04 0.00 -0.00 0.00 0.00 59.36 59.44 1yjx h GLU 237 Cb 0.32 -0.04 -0.03 0.00 -0.00 0.00 0.00 28.75 29.00 1yjx h GLU 237 CO -0.69 0.11 0.20 1.15 -0.00 0.00 0.00 179.01 179.78 1yjx h THR 238 N 0.17 1.22 0.02 -1.06 2.02 -1.50 -3.11 112.91 110.67 1yjx h THR 238 Ca 0.06 -0.76 -0.00 0.00 0.77 0.00 0.00 66.41 66.49 1yjx h THR 238 Cb 0.01 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 66.98 1yjx h THR 238 CO -0.04 0.29 -0.01 -0.37 0.37 0.00 0.00 175.52 175.76 1yjx h VAL 239 N 0.87 0.00 -0.23 3.16 -1.51 -0.84 -3.34 116.25 114.36 1yjx h VAL 239 Ca 0.20 -0.03 0.05 0.00 -1.23 0.00 0.00 66.70 65.69 1yjx h VAL 239 Cb 0.23 0.00 -0.04 0.00 -2.13 0.00 0.00 31.29 29.35 1yjx h VAL 239 CO -0.01 0.00 -0.06 -2.11 -1.23 0.00 0.00 177.57 174.16 1yjx n ARG 240 N -2.16 -0.02 -0.04 5.19 1.85 0.22 0.07 116.66 121.77 1yjx n ARG 240 Ca -0.00 0.36 -0.08 0.00 -1.00 0.00 0.00 57.85 57.13 1yjx n ARG 240 Cb 0.01 -0.53 -0.05 0.00 -1.05 0.00 0.00 32.46 30.84 1yjx n ARG 240 CO 0.00 0.00 0.00 1.57 -0.01 0.00 0.00 177.63 179.19 1yjx h LYS 241 N 0.00 -0.25 0.00 2.89 -0.00 -1.66 0.17 116.57 117.72 1yjx h LYS 241 Ca 0.11 0.02 -0.00 0.00 -0.00 0.00 0.00 60.65 60.77 1yjx h LYS 241 Cb 0.17 0.06 -0.00 0.00 -0.00 0.00 0.00 32.23 32.45 1yjx h LYS 241 CO -0.24 -0.16 -0.02 0.00 -0.00 0.00 0.00 179.45 179.03 1yjx h ALA 242 N -0.75 1.70 -0.11 0.07 0.00 -0.52 -2.46 119.26 117.19 1yjx h ALA 242 Ca 0.03 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.70 1yjx h ALA 242 Cb 0.33 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.12 1yjx h ALA 242 CO -0.27 0.03 -0.82 0.52 0.00 0.00 0.00 179.25 178.71 1yjx h MET 243 N 0.00 0.67 -0.61 0.00 2.86 -0.84 -3.06 114.93 113.95 1yjx h MET 243 Ca -0.00 -0.58 -0.01 0.00 -2.06 0.00 0.00 59.70 57.05 1yjx h MET 243 Cb 0.04 0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.81 1yjx h MET 243 CO 0.00 1.19 0.34 0.93 1.06 0.00 0.00 176.91 180.44 1yjx h GLU 244 N 0.44 0.84 -1.97 1.72 5.08 -0.25 -1.57 114.58 118.87 1yjx h GLU 244 Ca -0.06 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1yjx h GLU 244 Cb 1.44 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1yjx h GLU 244 CO 0.16 0.61 0.00 0.00 -1.00 0.00 0.00 179.01 178.78 1yjx n ALA 245 N -2.44 3.20 -0.95 3.43 0.00 -1.12 -5.13 120.51 117.50 1yjx n ALA 245 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1yjx n ALA 245 Cb 0.09 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.26 1yjx n ALA 245 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05