#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yjx s ALA 3 N 0.00 3.50 0.48 0.00 0.00 -1.26 -5.02 121.76 119.47 1yjx s ALA 3 Ca 0.00 -0.23 -0.23 0.00 0.00 0.00 0.00 51.96 51.50 1yjx s ALA 3 Cb 0.00 -2.51 -0.07 0.00 0.00 0.00 0.00 23.12 20.54 1yjx s ALA 3 CO 0.00 0.40 1.27 0.71 0.00 0.00 0.00 175.76 178.14 1yjx s TYR 4 N -1.93 2.63 -0.11 0.00 4.12 -0.03 -4.86 117.35 117.18 1yjx s TYR 4 Ca 0.49 1.45 0.00 0.00 0.02 0.00 0.00 57.07 59.03 1yjx s TYR 4 Cb -0.11 -3.60 0.02 0.00 -1.52 0.00 0.00 41.96 36.76 1yjx s TYR 4 CO 0.22 -2.16 -0.10 0.15 0.02 0.00 0.00 175.55 173.68 1yjx s LYS 5 N -2.70 1.77 -0.07 -0.62 1.02 -1.26 -0.88 119.74 117.00 1yjx s LYS 5 Ca 0.66 -0.37 0.06 0.00 0.02 0.00 0.00 55.97 56.33 1yjx s LYS 5 Cb -0.35 -1.69 -0.01 0.00 -0.52 0.00 0.00 37.83 35.27 1yjx s LYS 5 CO 0.42 -0.19 -0.24 -1.17 -0.92 0.00 0.00 175.35 173.25 1yjx s LEU 6 N 1.42 2.07 -0.10 3.17 0.20 0.17 -3.96 118.68 121.65 1yjx s LEU 6 Ca 0.01 -0.52 0.03 0.00 0.69 0.00 0.00 54.13 54.33 1yjx s LEU 6 Cb -0.13 -1.37 0.01 0.00 -0.43 0.00 0.00 46.19 44.27 1yjx s LEU 6 CO -0.06 0.22 -0.18 -0.69 -0.29 0.00 0.00 176.35 175.35 1yjx s VAL 7 N -0.03 1.68 0.11 1.68 1.01 -0.96 0.34 120.40 124.23 1yjx s VAL 7 Ca -0.07 -0.77 0.08 0.00 0.00 0.00 0.00 61.98 61.21 1yjx s VAL 7 Cb -0.15 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 1yjx s VAL 7 CO 0.05 0.48 -0.13 -0.76 0.00 0.00 0.00 175.10 174.73 1yjx s LEU 8 N 0.72 2.90 -0.15 3.92 1.43 0.70 -0.66 118.68 127.54 1yjx s LEU 8 Ca -0.11 -0.45 -0.06 0.00 -1.03 0.00 0.00 54.13 52.47 1yjx s LEU 8 Cb -0.16 -1.72 0.07 0.00 0.03 0.00 0.00 46.19 44.41 1yjx s LEU 8 CO 0.02 0.18 0.33 -0.51 0.23 0.00 0.00 176.35 176.60 1yjx s ILE 9 N -1.18 -0.35 -0.13 -0.59 2.07 0.39 0.20 121.20 121.61 1yjx s ILE 9 Ca 0.20 0.19 -0.19 0.00 -1.41 0.00 0.00 60.65 59.44 1yjx s ILE 9 Cb -0.11 -0.53 -0.04 0.00 0.13 0.00 0.00 42.46 41.92 1yjx s ILE 9 CO 0.12 0.08 0.53 -0.60 -1.91 0.00 0.00 174.94 173.16 1yjx s ARG 10 N 2.10 4.33 0.75 3.50 3.52 -1.26 -1.24 118.95 130.64 1yjx s ARG 10 Ca -0.03 0.52 -0.15 0.00 -0.13 0.00 0.00 55.73 55.93 1yjx s ARG 10 Cb -0.11 -3.46 0.03 0.00 -1.56 0.00 0.00 34.95 29.85 1yjx s ARG 10 CO -0.10 0.08 1.13 -2.39 -0.81 0.00 0.00 175.30 173.20 1yjx n HIS 11 N 3.93 1.16 -1.06 5.12 1.44 -0.90 -0.05 115.22 124.87 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 -2.13 0.00 0.00 0.12 0.00 0.00 29.99 28.49 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 0.84 -0.24 3.57 -1.39 0.00 -1.26 -4.33 105.19 102.38 1yjx n GLY 12 Ca 0.14 -1.76 -0.50 0.00 0.00 0.00 0.00 46.02 43.90 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 -0.55 1.07 -3.57 1.61 2.13 -1.26 -4.85 120.64 115.21 1yjx n GLU 13 Ca 0.00 0.38 -0.21 0.00 0.66 0.00 0.00 57.16 57.99 1yjx n GLU 13 Cb 0.00 -1.90 -0.03 0.00 0.27 0.00 0.00 31.44 29.78 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 0.08 5.04 0.29 4.31 1.04 -1.26 -0.83 113.70 122.37 1yjx s SER 14 Ca 0.76 -0.75 -0.01 0.00 0.48 0.00 0.00 55.95 56.44 1yjx s SER 14 Cb -0.90 -0.57 0.48 0.00 0.10 0.00 0.00 66.02 65.13 1yjx s SER 14 CO 0.51 -0.65 1.91 0.00 0.98 0.00 0.00 173.24 176.00 1yjx h ALA 15 N 1.04 1.46 0.00 5.32 0.00 -0.52 -0.25 119.26 126.31 1yjx h ALA 15 Ca -0.41 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 1yjx h ALA 15 Cb 1.27 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 1yjx h ALA 15 CO 0.58 0.41 -0.16 -1.49 0.00 0.00 0.00 179.25 178.59 1yjx h TRP 16 N 1.09 0.00 -0.06 0.00 4.06 -1.92 -3.06 115.95 116.06 1yjx h TRP 16 Ca 0.39 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 61.34 1yjx h TRP 16 Cb 0.14 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.30 1yjx h TRP 16 CO -0.00 0.16 0.03 -0.91 -3.56 0.00 0.00 178.44 174.16 1yjx h ASN 17 N 0.00 0.08 0.31 -3.49 2.35 -1.30 -0.32 115.58 113.21 1yjx h ASN 17 Ca -0.00 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.66 1yjx h ASN 17 Cb 0.98 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.33 1yjx h ASN 17 CO 0.02 0.15 0.00 0.00 -1.65 0.00 0.00 177.43 175.95 1yjx n LEU 18 N -5.00 0.00 -0.57 1.61 -0.00 -1.11 -1.28 117.00 110.64 1yjx n LEU 18 Ca -0.06 0.16 0.12 0.00 -0.00 0.00 0.00 56.01 56.23 1yjx n LEU 18 Cb 0.07 -0.16 0.23 0.00 -0.00 0.00 0.00 43.42 43.56 1yjx n LEU 18 CO 0.34 -0.00 0.60 -0.62 -0.00 0.00 0.00 177.39 177.70 1yjx n GLU 19 N -1.16 1.56 -3.59 1.47 1.02 -0.87 -4.96 120.64 114.11 1yjx n GLU 19 Ca 0.19 -1.15 -0.21 0.00 -0.02 0.00 0.00 57.16 55.96 1yjx n GLU 19 Cb 0.18 -1.48 0.06 0.00 -0.02 0.00 0.00 31.44 30.19 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 0.29 -2.72 -4.51 1.62 4.05 -0.41 -4.89 115.26 108.69 1yjx n ASN 20 Ca 0.13 -0.69 -0.25 0.00 0.45 0.00 0.00 54.58 54.23 1yjx n ASN 20 Cb 0.46 -4.65 -0.10 0.00 1.23 0.00 0.00 39.78 36.72 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 -5.84 1.84 -0.09 1.20 0.52 -0.26 -1.07 118.95 115.25 1yjx s ARG 21 Ca 0.16 -1.53 -0.30 0.00 -0.52 0.00 0.00 55.73 53.54 1yjx s ARG 21 Cb -0.07 -1.95 -0.02 0.00 0.52 0.00 0.00 34.95 33.43 1yjx s ARG 21 CO 0.77 0.38 1.07 -0.06 0.02 0.00 0.00 175.30 177.47 1yjx s PHE 22 N -2.09 3.42 -0.21 -0.53 0.08 -0.84 -4.62 117.98 113.19 1yjx s PHE 22 Ca 0.27 1.48 -0.16 0.00 0.12 0.00 0.00 56.93 58.64 1yjx s PHE 22 Cb -0.07 -3.26 -0.10 0.00 -0.57 0.00 0.00 43.02 39.03 1yjx s PHE 22 CO 0.15 -0.55 -0.21 0.43 -0.10 0.00 0.00 175.22 174.93 1yjx n SER 23 N 5.06 1.90 0.00 1.36 7.64 -1.26 -0.08 113.62 128.24 1yjx n SER 23 Ca 0.09 0.41 0.00 0.00 1.01 0.00 0.00 58.87 60.39 1yjx n SER 23 Cb 0.48 -0.83 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 1.43 4.13 0.15 0.23 0.00 -1.26 -0.64 105.19 109.22 1yjx n GLY 24 Ca -0.28 0.07 0.14 0.00 0.00 0.00 0.00 46.02 45.95 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 13.99 0.00 -1.88 1.61 7.02 -1.26 -4.55 117.44 132.37 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 -0.12 -0.03 0.00 -2.42 0.00 0.00 31.31 28.74 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 -2.31 2.97 -0.89 -5.99 5.04 0.18 -4.84 117.35 111.51 1yjx s TYR 26 Ca 0.34 0.68 -0.08 0.00 -2.44 0.00 0.00 57.07 55.58 1yjx s TYR 26 Cb 0.21 -3.97 -0.15 0.00 0.35 0.00 0.00 41.96 38.40 1yjx s TYR 26 CO 0.43 -3.47 3.02 -3.47 -1.34 0.00 0.00 175.55 170.72 1yjx n ASP 27 N 3.30 6.71 -4.77 4.32 2.03 -1.26 -4.94 116.55 121.95 1yjx n ASP 27 Ca 0.12 -2.47 -0.40 0.00 0.52 0.00 0.00 54.79 52.56 1yjx n ASP 27 Cb 0.38 -1.40 -0.01 0.00 -0.72 0.00 0.00 41.12 39.38 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 1.92 3.30 0.59 -1.67 0.00 -1.26 -4.72 121.76 119.91 1yjx s ALA 28 Ca 0.63 1.25 -0.03 0.00 0.00 0.00 0.00 51.96 53.81 1yjx s ALA 28 Cb 0.22 -3.49 0.03 0.00 0.00 0.00 0.00 23.12 19.87 1yjx s ALA 28 CO -0.03 -0.82 0.86 0.34 0.00 0.00 0.00 175.76 176.11 1yjx s ASP 29 N -0.68 5.32 0.58 0.00 -1.08 -1.26 -3.26 116.67 116.29 1yjx s ASP 29 Ca 0.56 0.37 -0.18 0.00 -0.52 0.00 0.00 52.55 52.78 1yjx s ASP 29 Cb -0.39 -1.28 -0.04 0.00 -1.46 0.00 0.00 42.92 39.75 1yjx s ASP 29 CO 0.50 -1.18 1.11 -0.76 0.52 0.00 0.00 175.17 175.36 1yjx s LEU 30 N -4.93 3.63 0.53 -1.34 1.43 -1.26 0.13 118.68 116.87 1yjx s LEU 30 Ca 0.56 2.06 -0.03 0.00 -1.03 0.00 0.00 54.13 55.69 1yjx s LEU 30 Cb -0.10 -4.56 0.01 0.00 0.03 0.00 0.00 46.19 41.56 1yjx s LEU 30 CO 0.42 -1.28 0.80 -0.94 0.23 0.00 0.00 176.35 175.58 1yjx s SER 31 N -2.14 5.67 0.26 2.29 1.04 -0.01 -4.41 113.70 116.40 1yjx s SER 31 Ca 0.69 0.50 -0.02 0.00 0.48 0.00 0.00 55.95 57.60 1yjx s SER 31 Cb -0.21 -1.59 0.52 0.00 0.10 0.00 0.00 66.02 64.84 1yjx s SER 31 CO 0.31 -0.92 1.73 -0.65 0.98 0.00 0.00 173.24 174.70 1yjx h PRO 32 N 0.08 0.46 -0.32 4.02 0.11 -1.96 0.80 132.00 135.19 1yjx h PRO 32 Ca -0.46 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.64 1yjx h PRO 32 Cb 1.26 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 1yjx h PRO 32 CO 0.59 0.31 0.20 0.00 -0.21 0.00 0.00 178.00 178.88 1yjx h ALA 33 N 1.58 0.40 -0.69 -0.75 0.00 -1.93 -0.02 119.26 117.85 1yjx h ALA 33 Ca 0.45 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.37 1yjx h ALA 33 Cb 0.70 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 1yjx h ALA 33 CO -0.41 -0.16 0.46 0.78 0.00 0.00 0.00 179.25 179.92 1yjx h GLY 34 N 0.40 0.97 0.92 0.00 0.00 -1.10 0.75 103.07 105.00 1yjx h GLY 34 Ca 0.12 -0.35 -0.06 0.00 0.00 0.00 0.00 47.33 47.05 1yjx h GLY 34 CO -0.05 0.32 -0.01 0.84 0.00 0.00 0.00 176.54 177.64 1yjx h HIS 35 N 0.89 0.68 -0.86 5.60 6.17 -0.19 -2.42 115.15 125.02 1yjx h HIS 35 Ca 0.27 -0.12 0.02 0.00 0.71 0.00 0.00 60.37 61.24 1yjx h HIS 35 Cb -0.02 -0.17 -0.04 0.00 2.52 0.00 0.00 27.41 29.69 1yjx h HIS 35 CO -0.00 0.74 0.57 1.49 0.71 0.00 0.00 177.93 181.43 1yjx h GLU 36 N 0.43 1.10 -0.18 5.26 4.57 0.09 -1.00 114.58 124.84 1yjx h GLU 36 Ca 0.10 -0.07 0.02 0.00 -1.18 0.00 0.00 59.36 58.23 1yjx h GLU 36 Cb 0.48 -0.25 -0.02 0.00 -0.16 0.00 0.00 28.75 28.80 1yjx h GLU 36 CO 0.02 0.73 0.06 0.93 -1.18 0.00 0.00 179.01 179.57 1yjx h GLU 37 N 1.13 0.14 -0.50 1.92 5.08 -0.58 0.11 114.58 121.89 1yjx h GLU 37 Ca 0.32 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.70 1yjx h GLU 37 Cb -0.08 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.10 1yjx h GLU 37 CO -0.08 0.09 0.30 0.00 -1.00 0.00 0.00 179.01 178.32 1yjx h ALA 38 N 1.11 0.65 -0.36 3.43 0.00 -0.91 0.11 119.26 123.30 1yjx h ALA 38 Ca 0.08 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.03 1yjx h ALA 38 Cb 0.05 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 1yjx h ALA 38 CO -0.08 -0.01 0.10 -0.22 0.00 0.00 0.00 179.25 179.04 1yjx h LYS 39 N 0.59 0.22 -0.69 0.00 3.64 -0.61 0.73 116.57 120.45 1yjx h LYS 39 Ca 0.20 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.57 1yjx h LYS 39 Cb 0.03 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.77 1yjx h LYS 39 CO -0.10 0.15 0.42 0.00 -2.27 0.00 0.00 179.45 177.65 1yjx h ARG 40 N 0.23 0.93 -0.46 1.90 3.08 -0.18 -0.74 114.38 119.14 1yjx h ARG 40 Ca 0.17 -0.08 -0.05 0.00 0.07 0.00 0.00 59.98 60.09 1yjx h ARG 40 Cb 0.17 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 1yjx h ARG 40 CO -0.20 0.65 0.09 0.78 -1.07 0.00 0.00 179.97 180.23 1yjx h GLY 41 N 0.94 0.81 0.96 0.04 0.00 0.24 -1.14 103.07 104.91 1yjx h GLY 41 Ca 0.25 -0.53 0.02 0.00 0.00 0.00 0.00 47.33 47.07 1yjx h GLY 41 CO -0.05 0.49 0.47 -1.33 0.00 0.00 0.00 176.54 176.12 1yjx h GLY 42 N 0.62 1.02 0.67 4.60 0.00 0.81 -2.37 103.07 108.41 1yjx h GLY 42 Ca 0.14 -0.36 0.01 0.00 0.00 0.00 0.00 47.33 47.12 1yjx h GLY 42 CO 0.01 0.34 -0.20 -1.61 0.00 0.00 0.00 176.54 175.08 1yjx h GLN 43 N 0.94 -0.36 -0.66 4.80 5.75 -0.77 0.50 115.11 125.32 1yjx h GLN 43 Ca 0.27 0.02 0.13 0.00 -0.15 0.00 0.00 58.65 58.93 1yjx h GLN 43 Cb -0.06 0.08 -0.12 0.00 1.07 0.00 0.00 27.48 28.45 1yjx h GLN 43 CO -0.08 -0.24 -0.12 0.00 -2.65 0.00 0.00 178.83 175.74 1yjx h ALA 44 N 0.43 0.49 -0.73 3.38 0.00 -0.87 0.55 119.26 122.51 1yjx h ALA 44 Ca 0.02 0.24 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 1yjx h ALA 44 Cb 0.39 0.46 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 1yjx h ALA 44 CO -0.11 -0.42 0.38 -0.07 0.00 0.00 0.00 179.25 179.03 1yjx h LEU 45 N 0.02 0.92 -0.23 0.00 3.38 -0.89 -0.23 115.31 118.28 1yjx h LEU 45 Ca 0.32 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.20 1yjx h LEU 45 Cb 0.51 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1yjx h LEU 45 CO -0.65 0.76 0.10 -0.09 0.09 0.00 0.00 178.44 178.64 1yjx h ARG 46 N 1.02 0.34 -0.67 1.13 1.12 0.21 -0.24 114.38 117.29 1yjx h ARG 46 Ca 0.26 -0.06 -0.05 0.00 -1.11 0.00 0.00 59.98 59.01 1yjx h ARG 46 Cb 0.06 -0.06 -0.03 0.00 -0.01 0.00 0.00 29.97 29.93 1yjx h ARG 46 CO -0.04 0.38 0.20 -0.44 -3.11 0.00 0.00 179.97 176.96 1yjx h ASP 47 N 0.22 0.96 0.28 -3.80 3.32 0.29 -0.84 116.42 116.84 1yjx h ASP 47 Ca 0.08 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 56.95 1yjx h ASP 47 Cb 0.16 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.46 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 -2.45 2.40 -3.30 3.45 0.00 -0.14 -4.90 120.51 115.56 1yjx n ALA 48 Ca 0.05 -0.14 -0.23 0.00 0.00 0.00 0.00 53.44 53.12 1yjx n ALA 48 Cb 0.22 -1.43 0.06 0.00 0.00 0.00 0.00 19.45 18.30 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 0.83 -0.49 3.78 0.00 0.00 -0.23 -4.97 105.19 104.11 1yjx n GLY 49 Ca 0.16 0.17 -0.36 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.24 3.13 -0.02 1.61 1.51 -0.42 -5.03 117.35 114.88 1yjx s TYR 50 Ca 0.45 1.61 0.04 0.00 -1.01 0.00 0.00 57.07 58.15 1yjx s TYR 50 Cb -0.20 -3.20 -0.00 0.00 -0.11 0.00 0.00 41.96 38.45 1yjx s TYR 50 CO 0.55 -0.91 -0.13 -1.21 -1.11 0.00 0.00 175.55 172.75 1yjx s GLU 51 N -2.60 1.19 0.34 -0.62 2.02 -1.26 -4.88 118.70 112.89 1yjx s GLU 51 Ca 0.60 -0.44 0.08 0.00 0.02 0.00 0.00 54.97 55.23 1yjx s GLU 51 Cb -0.24 -1.10 -0.07 0.00 0.10 0.00 0.00 34.13 32.83 1yjx s GLU 51 CO 0.29 0.22 -0.05 -0.06 0.02 0.00 0.00 175.26 175.68 1yjx s PHE 52 N -0.06 2.28 0.00 1.61 0.40 -1.26 -4.81 117.98 116.15 1yjx s PHE 52 Ca 0.00 -0.63 0.00 0.00 -0.60 0.00 0.00 56.93 55.71 1yjx s PHE 52 Cb -0.08 -1.40 0.00 0.00 0.51 0.00 0.00 43.02 42.05 1yjx s PHE 52 CO 0.00 0.43 0.00 -0.25 0.70 0.00 0.00 175.22 176.10 1yjx n ASP 53 N -0.77 4.89 -3.63 1.36 8.00 0.13 -4.89 116.55 121.64 1yjx n ASP 53 Ca -0.05 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.30 1yjx n ASP 53 Cb 0.65 0.84 -0.07 0.00 -0.02 0.00 0.00 41.12 42.51 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 -1.96 0.01 0.07 0.53 2.07 -1.21 -4.26 121.20 116.44 1yjx s ILE 54 Ca 0.00 -0.11 0.08 0.00 -1.41 0.00 0.00 60.65 59.21 1yjx s ILE 54 Cb 0.00 -0.84 -0.03 0.00 0.13 0.00 0.00 42.46 41.72 1yjx s ILE 54 CO 0.00 -0.06 -0.22 0.00 -1.91 0.00 0.00 174.94 172.74 1yjx s PHE 56 N -0.91 1.31 0.32 0.00 0.40 -0.40 0.09 117.98 118.80 1yjx s PHE 56 Ca 0.09 -0.35 -0.04 0.00 -0.60 0.00 0.00 56.93 56.02 1yjx s PHE 56 Cb -0.09 -0.90 0.00 0.00 0.51 0.00 0.00 43.02 42.53 1yjx s PHE 56 CO 0.03 -0.13 0.46 -0.08 0.70 0.00 0.00 175.22 176.20 1yjx s THR 57 N 0.10 0.00 0.00 0.64 -1.32 -0.27 -1.14 115.64 113.65 1yjx s THR 57 Ca -0.03 -1.58 0.00 0.00 -1.21 0.00 0.00 61.69 58.87 1yjx s THR 57 Cb -0.10 -2.56 0.00 0.00 -1.51 0.00 0.00 72.50 68.33 1yjx s THR 57 CO 0.01 0.00 0.00 -1.54 -2.21 0.00 0.00 174.62 170.88 1yjx n SER 58 N -1.17 0.00 -1.25 8.08 3.41 -1.25 -1.15 113.62 120.29 1yjx n SER 58 Ca 0.00 -0.61 -0.02 0.00 -0.26 0.00 0.00 58.87 57.98 1yjx n SER 58 Cb 0.62 0.00 0.23 0.00 -0.26 0.00 0.00 64.21 64.79 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 -1.10 2.56 -4.51 -3.33 0.24 -1.24 -3.99 118.33 106.97 1yjx n VAL 59 Ca 0.00 -2.30 -0.33 0.00 -2.04 0.00 0.00 64.34 59.67 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 -3.10 3.49 0.05 7.34 -0.21 -1.26 -5.04 119.66 120.93 1yjx s GLN 60 Ca 0.46 -0.62 -0.10 0.00 0.02 0.00 0.00 55.36 55.12 1yjx s GLN 60 Cb 0.40 -2.79 -0.02 0.00 1.00 0.00 0.00 33.01 31.59 1yjx s GLN 60 CO 0.05 0.16 0.99 1.63 -2.12 0.00 0.00 175.29 176.00 1yjx n LYS 61 N 3.72 -0.14 -0.40 2.91 5.02 -1.26 -1.20 118.16 126.81 1yjx n LYS 61 Ca -0.18 0.98 0.32 0.00 -2.02 0.00 0.00 58.31 57.42 1yjx n LYS 61 Cb 0.52 -1.46 0.59 0.00 -0.02 0.00 0.00 35.03 34.67 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 0.17 0.00 1.97 0.11 -1.87 0.85 114.38 115.60 1yjx h ARG 62 Ca 0.05 -0.01 -0.02 0.00 0.10 0.00 0.00 59.98 60.11 1yjx h ARG 62 Cb 0.13 -0.04 -0.00 0.00 1.11 0.00 0.00 29.97 31.17 1yjx h ARG 62 CO -0.31 0.11 -0.11 0.00 0.10 0.00 0.00 179.97 179.76 1yjx h ALA 63 N 1.66 0.02 -0.43 0.08 0.00 -1.48 -2.87 119.26 116.24 1yjx h ALA 63 Ca 0.77 -0.41 0.08 0.00 0.00 0.00 0.00 54.91 55.35 1yjx h ALA 63 Cb 2.23 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 20.02 1yjx h ALA 63 CO -0.45 0.07 -0.01 0.82 0.00 0.00 0.00 179.25 179.69 1yjx h ILE 64 N -1.00 0.67 -0.26 0.00 2.04 0.12 0.12 117.51 119.20 1yjx h ILE 64 Ca -0.03 -0.04 -0.02 0.00 1.00 0.00 0.00 64.86 65.78 1yjx h ILE 64 Cb 0.72 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 1yjx h ILE 64 CO -0.02 0.02 0.06 -0.09 0.00 0.00 0.00 178.15 178.13 1yjx h ARG 65 N 0.10 0.37 -0.25 2.37 2.43 0.52 0.95 114.38 120.86 1yjx h ARG 65 Ca 0.21 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.31 1yjx h ARG 65 Cb 0.31 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 1yjx h ARG 65 CO -0.36 0.35 0.05 1.15 -1.51 0.00 0.00 179.97 179.65 1yjx h THR 66 N 0.37 1.22 0.03 0.20 2.02 -0.78 -0.81 112.91 115.15 1yjx h THR 66 Ca 0.09 -0.73 0.02 0.00 0.77 0.00 0.00 66.41 66.56 1yjx h THR 66 Cb 0.15 1.22 -0.03 0.00 -1.74 0.00 0.00 68.15 67.75 1yjx h THR 66 CO -0.00 0.23 -0.17 0.25 0.37 0.00 0.00 175.52 176.21 1yjx h LEU 67 N 0.23 -0.48 -0.41 2.58 6.46 0.46 -0.89 115.31 123.28 1yjx h LEU 67 Ca 0.08 0.07 0.07 0.00 -0.12 0.00 0.00 57.88 57.98 1yjx h LEU 67 Cb 0.30 0.20 -0.06 0.00 -0.73 0.00 0.00 40.66 40.37 1yjx h LEU 67 CO 0.00 -0.23 0.02 -0.50 -0.62 0.00 0.00 178.44 177.12 1yjx h TRP 68 N -0.29 0.02 -0.71 1.25 4.06 -0.76 0.14 115.95 119.66 1yjx h TRP 68 Ca 0.05 0.03 0.02 0.00 2.06 0.00 0.00 58.89 61.04 1yjx h TRP 68 Cb 0.34 0.05 -0.04 0.00 -1.00 0.00 0.00 29.16 28.51 1yjx h TRP 68 CO -0.21 -0.06 0.46 1.15 -3.56 0.00 0.00 178.44 176.23 1yjx h THR 69 N 0.13 1.13 0.00 1.49 2.02 -0.76 0.24 112.91 117.17 1yjx h THR 69 Ca 0.20 -0.31 -0.00 0.00 0.77 0.00 0.00 66.41 67.07 1yjx h THR 69 Cb 0.27 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.83 1yjx h THR 69 CO -0.31 0.17 -0.00 0.58 0.37 0.00 0.00 175.52 176.32 1yjx h VAL 70 N 0.91 1.20 -0.86 3.16 2.07 -0.31 -0.51 116.25 121.91 1yjx h VAL 70 Ca 0.27 -0.60 0.09 0.00 0.82 0.00 0.00 66.70 67.28 1yjx h VAL 70 Cb -0.04 1.61 -0.07 0.00 -1.52 0.00 0.00 31.29 31.28 1yjx h VAL 70 CO -0.09 0.16 0.51 -0.07 0.02 0.00 0.00 177.57 178.10 1yjx h LEU 71 N -0.26 0.75 -0.12 2.57 3.38 -0.51 -0.59 115.31 120.53 1yjx h LEU 71 Ca -0.00 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1yjx h LEU 71 Cb 0.26 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1yjx h LEU 71 CO 0.00 0.43 0.06 -0.78 0.09 0.00 0.00 178.44 178.24 1yjx h ASP 72 N 0.86 0.16 -1.01 -0.43 -0.00 -0.75 0.34 116.42 115.59 1yjx h ASP 72 Ca 0.41 -0.12 0.06 0.00 -0.00 0.00 0.00 57.03 57.38 1yjx h ASP 72 Cb 0.34 -0.04 -0.07 0.00 -0.00 0.00 0.00 39.33 39.57 1yjx h ASP 72 CO -0.24 0.23 0.65 0.00 -0.00 0.00 0.00 179.24 179.89 1yjx h ALA 73 N 0.93 1.40 -0.50 -0.78 0.00 -0.12 -2.16 119.26 118.03 1yjx h ALA 73 Ca 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1yjx h ALA 73 Cb 0.12 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1yjx h ALA 73 CO -0.01 0.45 0.00 0.44 0.00 0.00 0.00 179.25 180.14 1yjx n ILE 74 N -4.50 2.11 -3.93 0.00 -5.35 -0.32 -4.81 119.36 102.56 1yjx n ILE 74 Ca 0.15 -1.13 -0.32 0.00 -0.27 0.00 0.00 62.75 61.19 1yjx n ILE 74 Cb 0.18 -0.21 -0.00 0.00 -1.74 0.00 0.00 39.64 37.87 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 0.64 -2.39 -2.62 7.28 4.64 -0.74 -4.90 116.55 118.46 1yjx n ASP 75 Ca 0.23 -1.09 0.00 0.00 -1.38 0.00 0.00 54.79 52.55 1yjx n ASP 75 Cb 0.97 -2.75 0.05 0.00 -1.04 0.00 0.00 41.12 38.35 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 -4.47 1.53 0.18 -0.67 6.02 0.03 -4.86 117.38 115.13 1yjx n GLN 76 Ca -0.21 -3.31 0.13 0.00 -0.01 0.00 0.00 57.00 53.60 1yjx n GLN 76 Cb 0.64 -1.39 0.63 0.00 1.02 0.00 0.00 30.24 31.13 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 2.36 0.00 -0.00 -1.09 2.86 -1.91 -1.85 114.93 115.30 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 1.37 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.03 1yjx h MET 77 CO 0.18 0.00 -0.06 -2.67 1.06 0.00 0.00 176.91 175.42 1yjx n TRP 78 N -2.40 0.00 -1.87 -0.22 4.27 -1.26 -4.89 117.44 111.07 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 0.13 -0.44 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 -2.95 4.02 0.28 5.67 1.43 -0.70 -4.95 118.68 121.48 1yjx s LEU 79 Ca 0.15 2.77 -0.29 0.00 -1.03 0.00 0.00 54.13 55.73 1yjx s LEU 79 Cb 0.19 -4.08 -0.10 0.00 0.03 0.00 0.00 46.19 42.23 1yjx s LEU 79 CO 0.54 -1.26 1.11 -2.16 0.23 0.00 0.00 176.35 174.82 1yjx s PRO 80 N -2.61 4.63 0.00 1.29 0.04 -1.26 -4.90 135.00 132.19 1yjx s PRO 80 Ca 0.65 1.82 0.05 0.00 0.04 0.00 0.00 61.00 63.56 1yjx s PRO 80 Cb -0.40 -3.19 -0.02 0.00 0.04 0.00 0.00 34.50 30.93 1yjx s PRO 80 CO 0.50 0.19 -0.17 0.14 0.04 0.00 0.00 177.00 177.70 1yjx s VAL 81 N -1.14 1.36 -0.14 -0.36 -7.23 -1.26 -1.23 120.40 110.40 1yjx s VAL 81 Ca 0.45 -0.83 0.02 0.00 -1.81 0.00 0.00 61.98 59.81 1yjx s VAL 81 Cb -0.32 -1.15 0.01 0.00 0.56 0.00 0.00 36.38 35.47 1yjx s VAL 81 CO 0.41 0.30 -0.21 -0.69 -0.31 0.00 0.00 175.10 174.61 1yjx s VAL 82 N -0.52 2.17 0.00 1.32 1.01 0.11 -4.96 120.40 119.55 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 -1.88 -0.04 0.00 0.00 0.00 0.00 36.38 34.39 1yjx s VAL 82 CO -0.00 0.54 0.14 -0.13 0.00 0.00 0.00 175.10 175.65 1yjx s ARG 83 N 0.80 3.27 -0.24 2.72 0.52 -1.26 -1.11 118.95 123.65 1yjx s ARG 83 Ca -0.07 -0.41 -0.17 0.00 -0.52 0.00 0.00 55.73 54.56 1yjx s ARG 83 Cb -0.16 -2.98 0.07 0.00 0.52 0.00 0.00 34.95 32.40 1yjx s ARG 83 CO -0.01 0.65 0.61 -0.08 0.02 0.00 0.00 175.30 176.49 1yjx s THR 84 N -1.29 -0.00 0.46 0.02 -1.32 -0.30 -4.95 115.64 108.25 1yjx s THR 84 Ca 0.26 0.02 0.40 0.00 -1.21 0.00 0.00 61.69 61.16 1yjx s THR 84 Cb -0.12 -0.87 0.42 0.00 -1.51 0.00 0.00 72.50 70.42 1yjx s THR 84 CO 0.18 0.01 2.23 4.11 -2.21 0.00 0.00 174.62 178.93 1yjx h TRP 85 N 6.27 0.00 0.00 9.09 5.08 -1.89 -1.98 115.95 132.52 1yjx h TRP 85 Ca -0.31 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.66 1yjx h TRP 85 Cb 1.20 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.36 1yjx h TRP 85 CO 0.23 0.01 0.00 0.54 -1.28 0.00 0.00 178.44 177.93 1yjx n ARG 86 N -3.12 0.11 -0.22 0.12 1.74 -1.26 -0.47 116.66 113.55 1yjx n ARG 86 Ca -0.02 0.45 0.09 0.00 -0.77 0.00 0.00 57.85 57.61 1yjx n ARG 86 Cb 0.16 -1.76 0.21 0.00 -1.02 0.00 0.00 32.46 30.05 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 -1.97 3.28 -4.56 0.55 4.77 -0.75 -4.09 117.00 114.23 1yjx n LEU 87 Ca 0.01 -1.79 -0.30 0.00 -0.03 0.00 0.00 56.01 53.90 1yjx n LEU 87 Cb 0.13 -0.29 0.20 0.00 -2.33 0.00 0.00 43.42 41.13 1yjx n LEU 87 CO 0.13 0.78 0.51 0.59 -1.33 0.00 0.00 177.39 178.06 1yjx n ASN 88 N 1.10 -0.70 -4.76 -1.43 4.13 0.38 -4.22 115.26 109.76 1yjx n ASN 88 Ca 0.17 0.18 -0.31 0.00 1.68 0.00 0.00 54.58 56.30 1yjx n ASN 88 Cb 0.51 -1.36 0.09 0.00 -1.54 0.00 0.00 39.78 37.48 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 -4.43 2.27 0.24 3.52 2.56 -1.26 -4.33 118.70 117.27 1yjx s GLU 89 Ca 0.66 1.21 -0.30 0.00 0.00 0.00 0.00 54.97 56.54 1yjx s GLU 89 Cb -0.23 -1.90 -0.10 0.00 2.00 0.00 0.00 34.13 33.90 1yjx s GLU 89 CO 0.62 -1.64 1.48 0.50 -0.56 0.00 0.00 175.26 175.65 1yjx s ARG 90 N -4.80 4.24 -0.08 4.30 3.52 -1.26 -4.60 118.95 120.26 1yjx s ARG 90 Ca 0.62 2.34 -0.30 0.00 -0.13 0.00 0.00 55.73 58.27 1yjx s ARG 90 Cb -0.18 -3.11 -0.04 0.00 -1.56 0.00 0.00 34.95 30.06 1yjx s ARG 90 CO 0.54 -0.47 1.50 -1.58 -0.81 0.00 0.00 175.30 174.48 1yjx s HIS 91 N 0.15 2.37 -0.83 5.12 5.65 -1.26 -4.24 115.29 122.24 1yjx s HIS 91 Ca 0.61 0.53 0.08 0.00 0.25 0.00 0.00 55.06 56.53 1yjx s HIS 91 Cb -0.43 -3.75 0.40 0.00 -1.18 0.00 0.00 32.58 27.62 1yjx s HIS 91 CO 0.42 -2.99 1.15 0.66 -0.65 0.00 0.00 174.74 173.34 1yjx n TYR 92 N 6.73 0.97 -0.92 3.88 4.01 -1.26 -0.52 117.16 130.05 1yjx n TYR 92 Ca 0.16 -0.35 0.00 0.00 -0.16 0.00 0.00 57.90 57.55 1yjx n TYR 92 Cb 0.43 -0.26 0.00 0.00 -0.31 0.00 0.00 39.34 39.20 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 0.44 1.28 0.36 2.72 0.00 -1.25 -1.58 105.19 107.17 1yjx n GLY 93 Ca 0.14 -0.42 0.18 0.00 0.00 0.00 0.00 46.02 45.92 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 0.47 0.90 103.07 106.42 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 -9.33 3.11 3.38 -1.49 -3.44 115.31 107.54 1yjx h LEU 95 Ca 0.11 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.44 1yjx h LEU 95 Cb 0.89 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.69 1yjx h LEU 95 CO -0.00 0.00 0.75 0.41 0.09 0.00 0.00 178.44 179.68 1yjx n THR 96 N -2.65 0.14 0.00 0.22 -1.04 0.31 -1.17 114.28 110.09 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 0.24 -1.30 0.00 0.00 -1.82 0.00 0.00 70.33 67.45 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 3.39 3.03 3.77 3.41 0.00 0.89 -4.91 105.19 114.78 1yjx n GLY 97 Ca 0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 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 3.54 0.01 0.99 1.43 -0.32 -4.65 118.68 119.68 1yjx s LEU 98 Ca 0.00 2.08 -0.30 0.00 -1.03 0.00 0.00 54.13 54.88 1yjx s LEU 98 Cb 0.00 -4.56 -0.03 0.00 0.03 0.00 0.00 46.19 41.62 1yjx s LEU 98 CO 0.00 -1.47 0.97 0.21 0.23 0.00 0.00 176.35 176.29 1yjx s ASN 99 N -2.25 7.37 0.18 2.29 3.84 -1.26 -1.99 114.94 123.13 1yjx s ASN 99 Ca 0.69 1.66 -0.13 0.00 0.21 0.00 0.00 52.86 55.29 1yjx s ASN 99 Cb -0.22 -2.57 0.12 0.00 -0.55 0.00 0.00 41.25 38.03 1yjx s ASN 99 CO 0.36 -0.24 1.81 0.11 -2.79 0.00 0.00 177.10 176.35 1yjx h LYS 100 N 6.67 0.61 -0.35 0.43 1.57 -1.44 -0.78 116.57 123.29 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 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 33.37 1yjx h LYS 100 CO 0.75 0.40 0.22 0.00 -0.57 0.00 0.00 179.45 180.25 1yjx h ALA 101 N 1.25 0.44 -0.64 3.86 0.00 -1.93 -1.41 119.26 120.83 1yjx h ALA 101 Ca 0.22 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 1yjx h ALA 101 Cb 0.04 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1yjx h ALA 101 CO -0.11 -0.08 0.08 0.93 0.00 0.00 0.00 179.25 180.07 1yjx h GLU 102 N 0.47 1.08 -0.87 0.00 5.08 -1.90 -1.68 114.58 116.76 1yjx h GLU 102 Ca 0.13 -0.30 -0.01 0.00 -1.00 0.00 0.00 59.36 58.18 1yjx h GLU 102 Cb -0.03 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.06 1yjx h GLU 102 CO -0.03 1.01 0.51 1.15 -1.00 0.00 0.00 179.01 180.66 1yjx h THR 103 N 0.99 1.25 -0.68 1.13 2.02 -0.90 0.61 112.91 117.32 1yjx h THR 103 Ca 0.19 -0.55 -0.06 0.00 0.77 0.00 0.00 66.41 66.76 1yjx h THR 103 Cb 0.47 0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 66.88 1yjx h THR 103 CO 0.02 0.26 0.19 0.00 0.37 0.00 0.00 175.52 176.36 1yjx h ALA 104 N 1.28 1.05 -0.23 6.16 0.00 -0.97 -1.47 119.26 125.08 1yjx h ALA 104 Ca 0.31 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 1yjx h ALA 104 Cb -0.03 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 1yjx h ALA 104 CO -0.06 0.63 -0.18 0.00 0.00 0.00 0.00 179.25 179.65 1yjx h ALA 105 N 1.19 0.33 0.00 0.00 0.00 -0.29 -0.45 119.26 120.04 1yjx h ALA 105 Ca 0.22 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1yjx h ALA 105 Cb 0.31 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1yjx h ALA 105 CO -0.00 0.25 0.00 1.63 0.00 0.00 0.00 179.25 181.12 1yjx n LYS 106 N -4.44 0.47 0.00 0.00 5.02 0.20 -3.98 118.16 115.44 1yjx n LYS 106 Ca -0.05 0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 1yjx n LYS 106 Cb 0.39 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.90 1yjx n LYS 106 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1yjx n HIS 107 N -1.25 0.00 -0.00 2.13 8.25 -0.57 -5.03 115.22 118.75 1yjx n HIS 107 Ca 0.15 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.61 1yjx n HIS 107 Cb 0.21 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.32 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 0.21 0.08 0.41 -1.41 0.00 -0.19 -4.39 105.19 99.90 1yjx n GLY 108 Ca 0.00 -1.25 0.23 0.00 0.00 0.00 0.00 46.02 45.00 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 0.37 0.69 1.61 5.08 -1.87 -2.30 114.58 118.16 1yjx h GLU 109 Ca 0.00 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 1yjx h GLU 109 Cb 0.00 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1yjx h GLU 109 CO 0.00 0.24 -0.44 0.00 -1.00 0.00 0.00 179.01 177.82 1yjx h ALA 110 N 1.61 -1.10 0.19 3.43 0.00 -1.90 0.30 119.26 121.79 1yjx h ALA 110 Ca 0.57 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.27 1yjx h ALA 110 Cb 1.49 0.54 -0.01 0.00 0.00 0.00 0.00 17.79 19.81 1yjx h ALA 110 CO -0.26 -1.14 -0.14 0.37 0.00 0.00 0.00 179.25 178.08 1yjx h GLN 111 N -1.06 -0.33 -0.94 0.00 5.75 -1.63 -1.39 115.11 115.52 1yjx h GLN 111 Ca -0.09 0.02 0.10 0.00 -0.15 0.00 0.00 58.65 58.53 1yjx h GLN 111 Cb 0.86 0.07 -0.07 0.00 1.07 0.00 0.00 27.48 29.41 1yjx h GLN 111 CO 0.08 -0.22 0.60 0.28 -2.65 0.00 0.00 178.83 176.92 1yjx h VAL 112 N -0.34 0.97 -0.21 2.39 2.07 -1.47 -0.35 116.25 119.31 1yjx h VAL 112 Ca -0.01 -0.33 0.05 0.00 0.82 0.00 0.00 66.70 67.24 1yjx h VAL 112 Cb 0.30 -0.06 -0.06 0.00 -1.52 0.00 0.00 31.29 29.95 1yjx h VAL 112 CO -0.01 0.17 -0.16 0.11 0.02 0.00 0.00 177.57 177.71 1yjx h LYS 113 N 0.95 -0.15 -0.14 1.57 6.56 0.63 -1.44 116.57 124.55 1yjx h LYS 113 Ca 0.44 0.01 0.04 0.00 -1.06 0.00 0.00 60.65 60.08 1yjx h LYS 113 Cb 0.40 0.03 -0.05 0.00 -0.57 0.00 0.00 32.23 32.04 1yjx h LYS 113 CO -0.20 -0.10 -0.17 0.82 -2.06 0.00 0.00 179.45 177.74 1yjx h ILE 114 N -0.16 0.55 -0.15 1.86 1.08 -0.12 -0.12 117.51 120.45 1yjx h ILE 114 Ca 0.12 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.64 1yjx h ILE 114 Cb 0.34 0.55 -0.01 0.00 -3.07 0.00 0.00 36.82 34.63 1yjx h ILE 114 CO -0.31 0.00 0.12 -0.50 -0.69 0.00 0.00 178.15 176.77 1yjx h TRP 115 N -0.21 0.00 0.05 1.37 6.55 -0.66 0.40 115.95 123.45 1yjx h TRP 115 Ca 0.10 0.00 -0.37 0.00 0.95 0.00 0.00 58.89 59.57 1yjx h TRP 115 Cb 0.36 0.00 -0.04 0.00 -0.86 0.00 0.00 29.16 28.61 1yjx h TRP 115 CO -0.29 0.00 -2.19 0.54 -1.05 0.00 0.00 178.44 175.45 1yjx n ARG 116 N -4.28 0.70 -0.00 0.49 1.74 -0.61 -4.66 116.66 110.03 1yjx n ARG 116 Ca 0.01 0.20 0.06 0.00 -0.77 0.00 0.00 57.85 57.34 1yjx n ARG 116 Cb 0.24 -1.63 -0.08 0.00 -1.02 0.00 0.00 32.46 29.98 1yjx n ARG 116 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1yjx n ARG 117 N -3.29 1.99 -1.96 5.56 1.74 -0.12 -5.01 116.66 115.57 1yjx n ARG 117 Ca -0.36 -0.04 -0.34 0.00 -0.77 0.00 0.00 57.85 56.33 1yjx n ARG 117 Cb 1.04 -1.16 0.03 0.00 -1.02 0.00 0.00 32.46 31.35 1yjx n ARG 117 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1yjx s SER 118 N -2.64 5.27 -0.00 0.55 1.04 0.13 -4.94 113.70 113.10 1yjx s SER 118 Ca 0.01 2.17 -0.18 0.00 0.48 0.00 0.00 55.95 58.43 1yjx s SER 118 Cb 0.09 -2.57 -0.34 0.00 0.10 0.00 0.00 66.02 63.29 1yjx s SER 118 CO 0.50 -1.53 0.95 0.22 0.98 0.00 0.00 173.24 174.36 1yjx h TYR 119 N 0.59 0.82 0.00 5.02 3.20 -1.93 -3.41 116.97 121.26 1yjx h TYR 119 Ca -0.49 -0.60 0.00 0.00 3.14 0.00 0.00 58.73 60.79 1yjx h TYR 119 Cb 1.27 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.50 1yjx h TYR 119 CO 0.51 1.48 -0.03 -0.40 -1.64 0.00 0.00 178.16 178.08 1yjx n ASP 120 N -3.87 1.97 -4.37 -2.11 5.68 -1.26 -1.25 116.55 111.33 1yjx n ASP 120 Ca -0.16 -2.46 -0.43 0.00 -0.50 0.00 0.00 54.79 51.24 1yjx n ASP 120 Cb 1.00 -0.21 -0.09 0.00 -1.14 0.00 0.00 41.12 40.68 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 -1.77 4.94 0.57 2.12 1.01 -1.26 -4.92 120.40 121.09 1yjx s VAL 121 Ca 0.15 -1.04 -0.17 0.00 0.00 0.00 0.00 61.98 60.91 1yjx s VAL 121 Cb 0.13 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 1yjx s VAL 121 CO 0.01 -0.48 1.07 -2.16 0.00 0.00 0.00 175.10 173.55 1yjx s PRO 122 N 1.59 3.34 0.98 2.72 0.04 -1.26 -4.61 135.00 137.80 1yjx s PRO 122 Ca 0.04 1.34 -0.14 0.00 0.04 0.00 0.00 61.00 62.27 1yjx s PRO 122 Cb -0.22 -2.03 0.18 0.00 0.04 0.00 0.00 34.50 32.46 1yjx s PRO 122 CO 0.06 -0.81 1.16 -1.25 0.04 0.00 0.00 177.00 176.21 1yjx s PRO 123 N -3.76 0.60 0.45 0.56 0.04 -1.26 -4.95 135.00 126.68 1yjx s PRO 123 Ca 0.66 0.11 -0.24 0.00 0.04 0.00 0.00 61.00 61.57 1yjx s PRO 123 Cb -0.18 -1.79 -0.09 0.00 0.04 0.00 0.00 34.50 32.48 1yjx s PRO 123 CO 0.32 -2.53 1.17 -2.30 0.04 0.00 0.00 177.00 173.70 1yjx n PRO 124 N -3.96 1.62 -1.81 0.56 -0.02 -1.26 -4.79 135.00 125.34 1yjx n PRO 124 Ca 0.09 0.58 -0.35 0.00 -2.02 0.00 0.00 63.50 61.80 1yjx n PRO 124 Cb 0.59 -2.27 0.05 0.00 -0.02 0.00 0.00 33.50 31.85 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 -2.26 2.70 -0.55 0.52 0.02 -1.26 0.82 135.00 134.97 1yjx s PRO 125 Ca 0.64 1.78 -0.24 0.00 0.02 0.00 0.00 61.00 63.21 1yjx s PRO 125 Cb -0.51 -1.90 0.04 0.00 0.02 0.00 0.00 34.50 32.16 1yjx s PRO 125 CO 0.56 -1.41 0.93 1.41 -0.33 0.00 0.00 177.00 178.16 1yjx s MET 126 N -3.56 3.31 0.59 5.54 1.75 0.13 -3.12 119.30 123.93 1yjx s MET 126 Ca 0.76 -0.32 -0.16 0.00 -1.25 0.00 0.00 55.69 54.72 1yjx s MET 126 Cb -0.30 -4.06 -0.04 0.00 2.84 0.00 0.00 34.83 33.27 1yjx s MET 126 CO 0.38 -1.49 1.06 -1.21 -0.65 0.00 0.00 175.02 173.11 1yjx s GLU 127 N 3.89 3.32 0.62 4.11 0.41 -1.26 -4.89 118.70 124.90 1yjx s GLU 127 Ca 0.29 1.26 0.30 0.00 -0.41 0.00 0.00 54.97 56.41 1yjx s GLU 127 Cb -0.13 -2.03 1.63 0.00 -1.78 0.00 0.00 34.13 31.82 1yjx s GLU 127 CO 0.18 -0.82 1.91 -1.35 -0.49 0.00 0.00 175.26 174.69 1yjx h PRO 128 N 0.55 0.00 -0.51 0.39 0.11 -1.99 0.25 132.00 130.81 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 -2.81 3.30 -4.77 -2.05 5.75 -1.26 -4.79 116.55 109.92 1yjx n ASP 129 Ca -0.02 -1.97 -0.39 0.00 -0.01 0.00 0.00 54.79 52.39 1yjx n ASP 129 Cb 0.32 -0.34 -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 -1.33 3.16 0.63 2.11 2.46 0.89 -4.89 115.29 118.31 1yjx s HIS 130 Ca 0.41 1.54 0.27 0.00 0.47 0.00 0.00 55.06 57.75 1yjx s HIS 130 Cb 0.22 -3.46 1.43 0.00 -0.13 0.00 0.00 32.58 30.64 1yjx s HIS 130 CO 0.30 -1.34 1.83 -1.35 -2.47 0.00 0.00 174.74 171.70 1yjx h PRO 131 N 3.09 0.00 -0.02 2.88 0.11 -1.92 -1.51 132.00 134.63 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 0.00 1.19 -0.21 0.00 0.00 178.00 179.62 1yjx n PHE 132 N -3.28 0.04 0.14 0.65 3.72 -1.26 -4.78 117.46 112.68 1yjx n PHE 132 Ca 0.04 -0.70 -0.15 0.00 -0.05 0.00 0.00 57.45 56.59 1yjx n PHE 132 Cb 0.61 -0.09 -0.09 0.00 -0.94 0.00 0.00 39.48 38.96 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 0.11 -1.36 -0.27 1.38 3.20 -1.54 -0.57 116.97 117.92 1yjx h TYR 133 Ca 0.00 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 1yjx h TYR 133 Cb 0.72 0.57 -0.01 0.00 1.54 0.00 0.00 36.73 39.55 1yjx h TYR 133 CO 0.02 -0.56 0.13 0.77 -1.64 0.00 0.00 178.16 176.88 1yjx h SER 134 N -0.73 0.35 -0.96 -2.11 0.02 -1.87 0.34 113.55 108.58 1yjx h SER 134 Ca -0.02 -0.12 0.23 0.00 -0.84 0.00 0.00 61.79 61.04 1yjx h SER 134 Cb 0.71 -0.09 -0.12 0.00 0.14 0.00 0.00 62.40 63.04 1yjx h SER 134 CO -0.21 0.37 0.53 -1.13 -1.14 0.00 0.00 176.83 175.24 1yjx h ASN 135 N 0.30 0.58 0.00 3.07 -0.73 -1.81 -1.88 115.58 115.11 1yjx h ASN 135 Ca 0.09 0.13 0.00 0.00 1.87 0.00 0.00 56.30 58.40 1yjx h ASN 135 Cb 0.11 0.05 0.00 0.00 0.27 0.00 0.00 38.32 38.75 1yjx h ASN 135 CO -0.01 0.10 0.00 -0.38 -0.37 0.00 0.00 177.43 176.77 1yjx n ILE 136 N -4.92 0.00 0.16 2.57 2.08 -0.24 -4.27 119.36 114.74 1yjx n ILE 136 Ca 0.25 0.22 0.19 0.00 0.56 0.00 0.00 62.75 63.97 1yjx n ILE 136 Cb 0.68 -1.07 0.79 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 -0.47 4.38 4.64 -1.05 -1.25 113.55 119.80 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 -3.66 3.43 -2.23 4.77 4.76 -0.71 -4.95 118.16 119.58 1yjx n LYS 138 Ca 0.04 -2.73 -0.42 0.00 -2.87 0.00 0.00 58.31 52.33 1yjx n LYS 138 Cb 0.48 -1.78 -0.03 0.00 -1.84 0.00 0.00 35.03 31.86 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 -1.22 6.86 0.36 4.39 3.68 -0.47 -4.87 116.67 125.40 1yjx s ASP 139 Ca 0.43 2.14 0.18 0.00 2.13 0.00 0.00 52.55 57.43 1yjx s ASP 139 Cb 0.30 -2.57 1.27 0.00 -1.45 0.00 0.00 42.92 40.47 1yjx s ASP 139 CO 0.17 -0.69 1.58 -0.09 0.13 0.00 0.00 175.17 176.27 1yjx h ARG 140 N 7.59 0.00 -0.99 4.34 2.43 -1.93 -0.02 114.38 125.80 1yjx h ARG 140 Ca -0.39 -0.00 0.37 0.00 -0.81 0.00 0.00 59.98 59.15 1yjx h ARG 140 Cb 1.19 -0.00 -0.17 0.00 -0.42 0.00 0.00 29.97 30.56 1yjx h ARG 140 CO 0.89 0.00 0.46 -0.09 -1.51 0.00 0.00 179.97 179.72 1yjx h ARG 141 N 0.00 0.07 -0.51 0.20 2.43 -1.94 0.07 114.38 114.70 1yjx h ARG 141 Ca 0.81 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.98 1yjx h ARG 141 Cb 2.10 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 31.64 1yjx h ARG 141 CO -0.79 0.04 0.00 0.66 -1.51 0.00 0.00 179.97 178.37 1yjx n TYR 142 N -5.25 1.54 -0.28 2.20 4.01 -0.02 -4.69 117.16 114.66 1yjx n TYR 142 Ca 0.34 -0.72 0.17 0.00 -0.16 0.00 0.00 57.90 57.53 1yjx n TYR 142 Cb 1.13 -0.36 0.44 0.00 -0.31 0.00 0.00 39.34 40.24 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 3.38 2.01 -0.07 -0.72 0.00 -1.06 -1.49 119.26 121.30 1yjx h ALA 143 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1yjx h ALA 143 Cb 1.63 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.36 1yjx h ALA 143 CO 0.32 -0.32 0.00 -0.25 0.00 0.00 0.00 179.25 179.00 1yjx n ASP 144 N -4.59 0.71 -4.79 0.00 8.00 -1.26 -4.84 116.55 109.78 1yjx n ASP 144 Ca 0.21 -1.57 -0.37 0.00 0.71 0.00 0.00 54.79 53.77 1yjx n ASP 144 Cb 0.64 -0.05 -0.06 0.00 -0.02 0.00 0.00 41.12 41.63 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 -1.55 4.39 0.96 0.64 1.43 -0.56 -5.04 118.68 118.95 1yjx s LEU 145 Ca 0.29 1.67 -0.14 0.00 -1.03 0.00 0.00 54.13 54.91 1yjx s LEU 145 Cb 0.14 -3.76 0.17 0.00 0.03 0.00 0.00 46.19 42.78 1yjx s LEU 145 CO 0.23 0.01 1.18 0.42 0.23 0.00 0.00 176.35 178.42 1yjx s THR 146 N -1.50 1.93 0.35 5.49 -4.23 -1.26 -4.74 115.64 111.68 1yjx s THR 146 Ca 0.45 0.00 0.06 0.00 -1.18 0.00 0.00 61.69 61.03 1yjx s THR 146 Cb -0.19 -2.79 0.31 0.00 1.34 0.00 0.00 72.50 71.16 1yjx s THR 146 CO 0.23 0.00 1.90 1.05 -0.54 0.00 0.00 174.62 177.27 1yjx h GLU 147 N -1.67 0.75 0.03 3.99 9.09 -1.96 -2.06 114.58 122.75 1yjx h GLU 147 Ca -0.48 -0.05 -0.26 0.00 0.05 0.00 0.00 59.36 58.63 1yjx h GLU 147 Cb 1.30 -0.17 0.01 0.00 -1.65 0.00 0.00 28.75 28.25 1yjx h GLU 147 CO 0.52 0.50 -1.06 -0.44 0.05 0.00 0.00 179.01 178.58 1yjx h ASP 148 N 0.78 0.73 -0.20 3.06 3.32 -2.03 -3.34 116.42 118.73 1yjx h ASP 148 Ca 0.40 -0.61 -0.02 0.00 0.02 0.00 0.00 57.03 56.82 1yjx h ASP 148 Cb 0.49 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 1yjx h ASP 148 CO -0.17 1.42 0.05 1.56 -1.72 0.00 0.00 179.24 180.38 1yjx h GLN 149 N 0.29 0.32 -6.08 3.56 4.20 -1.73 -3.41 115.11 112.27 1yjx h GLN 149 Ca -0.12 -0.08 -0.57 0.00 0.06 0.00 0.00 58.65 57.93 1yjx h GLN 149 Cb 1.71 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 29.44 1yjx h GLN 149 CO 0.20 0.46 1.41 -1.17 -0.67 0.00 0.00 178.83 179.05 1yjx s LEU 150 N -9.67 3.46 0.57 1.46 1.98 -0.89 -4.93 118.68 110.65 1yjx s LEU 150 Ca -0.14 1.54 -0.09 0.00 -2.89 0.00 0.00 54.13 52.55 1yjx s LEU 150 Cb 0.07 -3.41 -0.04 0.00 0.66 0.00 0.00 46.19 43.47 1yjx s LEU 150 CO 0.72 -1.94 0.94 -2.16 -1.89 0.00 0.00 176.35 172.02 1yjx s PRO 151 N 6.23 3.57 0.00 0.98 0.04 -1.26 -4.96 135.00 139.60 1yjx s PRO 151 Ca 0.91 0.54 0.10 0.00 0.04 0.00 0.00 61.00 62.59 1yjx s PRO 151 Cb -0.27 -2.19 -0.04 0.00 0.04 0.00 0.00 34.50 32.05 1yjx s PRO 151 CO 0.33 -0.44 0.56 -1.13 0.04 0.00 0.00 177.00 176.36 1yjx n SER 152 N -2.57 0.96 0.00 6.66 3.41 -1.26 -4.97 113.62 115.85 1yjx n SER 152 Ca 0.04 -0.98 0.00 0.00 -0.26 0.00 0.00 58.87 57.67 1yjx n SER 152 Cb 0.54 0.64 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 0.41 0.00 2.02 0.32 -4.90 118.70 114.87 1yjx s GLU 154 Ca 0.00 -0.13 0.04 0.00 0.02 0.00 0.00 54.97 54.90 1yjx s GLU 154 Cb 0.00 0.14 0.00 0.00 0.10 0.00 0.00 34.13 34.37 1yjx s GLU 154 CO 0.00 -0.06 0.59 -1.54 0.02 0.00 0.00 175.26 174.26 1yjx s SER 155 N -0.70 5.78 0.26 -0.19 1.04 -1.26 -4.32 113.70 114.31 1yjx s SER 155 Ca -0.08 -0.06 -0.01 0.00 0.48 0.00 0.00 55.95 56.28 1yjx s SER 155 Cb -0.05 -1.18 0.51 0.00 0.10 0.00 0.00 66.02 65.41 1yjx s SER 155 CO 0.01 -0.66 1.78 0.25 0.98 0.00 0.00 173.24 175.60 1yjx h LEU 156 N 0.60 0.63 -0.07 2.42 5.85 -1.74 0.32 115.31 123.31 1yjx h LEU 156 Ca -0.44 0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.38 1yjx h LEU 156 Cb 1.26 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.23 1yjx h LEU 156 CO 0.53 0.30 -0.11 0.50 -0.34 0.00 0.00 178.44 179.31 1yjx h LYS 157 N 0.72 -0.15 0.04 1.25 3.64 -1.52 0.28 116.57 120.84 1yjx h LYS 157 Ca 0.46 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.87 1yjx h LYS 157 Cb 0.57 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.38 1yjx h LYS 157 CO -0.32 -0.10 -0.46 -0.44 -2.27 0.00 0.00 179.45 175.85 1yjx h ASP 158 N -0.16 -1.40 -0.35 4.20 3.32 -1.27 0.03 116.42 120.79 1yjx h ASP 158 Ca 0.07 0.16 0.08 0.00 0.02 0.00 0.00 57.03 57.35 1yjx h ASP 158 Cb 0.25 0.54 -0.08 0.00 0.22 0.00 0.00 39.33 40.25 1yjx h ASP 158 CO -0.16 -0.50 -0.28 0.74 -1.72 0.00 0.00 179.24 177.32 1yjx h THR 159 N -0.65 0.30 -0.43 0.35 2.02 -0.87 0.18 112.91 113.81 1yjx h THR 159 Ca 0.03 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.31 1yjx h THR 159 Cb 0.70 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 67.39 1yjx h THR 159 CO -0.31 0.00 0.30 0.40 0.37 0.00 0.00 175.52 176.28 1yjx h ILE 160 N -0.24 0.84 -0.31 3.11 2.04 -0.37 -1.26 117.51 121.32 1yjx h ILE 160 Ca 0.17 -0.04 -0.06 0.00 1.00 0.00 0.00 64.86 65.93 1yjx h ILE 160 Cb 0.50 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 1yjx h ILE 160 CO -0.48 0.02 -0.04 0.00 0.00 0.00 0.00 178.15 177.64 1yjx h ALA 161 N 1.78 0.42 -0.00 1.87 0.00 0.13 -2.03 119.26 121.44 1yjx h ALA 161 Ca 0.20 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1yjx h ALA 161 Cb 0.66 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1yjx h ALA 161 CO -0.02 0.22 -0.18 2.89 0.00 0.00 0.00 179.25 182.16 1yjx n ARG 162 N -4.50 0.38 -0.07 0.00 -4.01 -0.81 -4.02 116.66 103.62 1yjx n ARG 162 Ca -0.03 -0.13 -0.21 0.00 -1.04 0.00 0.00 57.85 56.44 1yjx n ARG 162 Cb 0.30 -1.50 -0.12 0.00 -3.04 0.00 0.00 32.46 28.10 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 3.33 0.27 -0.92 2.89 0.00 -1.14 -3.40 119.26 120.30 1yjx h ALA 163 Ca 0.00 -1.18 0.14 0.00 0.00 0.00 0.00 54.91 53.86 1yjx h ALA 163 Cb 0.43 0.65 -0.07 0.00 0.00 0.00 0.00 17.79 18.80 1yjx h ALA 163 CO 0.00 0.78 0.59 -0.07 0.00 0.00 0.00 179.25 180.55 1yjx h LEU 164 N -0.72 0.73 -0.35 0.00 -0.00 -1.50 -2.39 115.31 111.07 1yjx h LEU 164 Ca -0.33 0.04 0.04 0.00 -0.00 0.00 0.00 57.88 57.62 1yjx h LEU 164 Cb 1.47 -0.10 -0.04 0.00 -0.00 0.00 0.00 40.66 41.99 1yjx h LEU 164 CO -0.11 0.37 0.13 -0.65 -0.00 0.00 0.00 178.44 178.19 1yjx h PRO 165 N 0.77 0.28 -0.74 1.13 0.11 -1.77 -0.52 132.00 131.27 1yjx h PRO 165 Ca 0.46 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.53 1yjx h PRO 165 Cb 0.65 -0.06 -0.04 0.00 0.11 0.00 0.00 31.00 31.66 1yjx h PRO 165 CO -0.22 0.19 0.39 0.35 -0.21 0.00 0.00 178.00 178.49 1yjx h PHE 166 N 0.29 1.01 -0.56 0.65 3.57 -1.65 0.23 116.94 120.48 1yjx h PHE 166 Ca 0.16 -0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.55 1yjx h PHE 166 Cb 0.12 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 38.51 1yjx h PHE 166 CO -0.13 0.72 0.05 2.35 -2.23 0.00 0.00 178.31 179.06 1yjx h TRP 167 N 1.03 1.04 -0.21 0.41 2.91 -1.10 -0.72 115.95 119.31 1yjx h TRP 167 Ca 0.26 -0.16 -0.16 0.00 1.13 0.00 0.00 58.89 59.96 1yjx h TRP 167 Cb 0.05 -0.28 0.00 0.00 -0.51 0.00 0.00 29.16 28.43 1yjx h TRP 167 CO 0.01 0.92 -0.48 -0.91 -1.03 0.00 0.00 178.44 176.95 1yjx h ASN 168 N 0.85 0.78 0.39 2.65 2.35 -0.51 0.11 115.58 122.21 1yjx h ASN 168 Ca 0.17 -0.56 -0.29 0.00 -0.55 0.00 0.00 56.30 55.06 1yjx h ASN 168 Cb 0.48 -0.23 0.02 0.00 0.05 0.00 0.00 38.32 38.64 1yjx h ASN 168 CO 0.02 1.20 -1.28 -0.33 -1.65 0.00 0.00 177.43 175.39 1yjx h GLU 169 N 0.39 0.44 0.00 0.81 5.08 -0.52 -3.39 114.58 117.40 1yjx h GLU 169 Ca -0.00 -0.67 -0.26 0.00 -1.00 0.00 0.00 59.36 57.43 1yjx h GLU 169 Cb 1.09 0.24 -0.04 0.00 0.50 0.00 0.00 28.75 30.54 1yjx h GLU 169 CO 0.11 1.31 -1.93 0.39 -1.00 0.00 0.00 179.01 177.88 1yjx n GLU 170 N -3.66 0.38 -0.06 2.33 -0.58 -0.29 -4.68 120.64 114.09 1yjx n GLU 170 Ca -0.12 0.12 -0.09 0.00 -0.42 0.00 0.00 57.16 56.65 1yjx n GLU 170 Cb 1.02 -1.24 -0.08 0.00 -0.57 0.00 0.00 31.44 30.57 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 -0.24 1.13 -0.67 -3.67 2.04 -1.42 -3.34 117.51 111.34 1yjx h ILE 171 Ca -0.39 -1.82 0.12 0.00 1.00 0.00 0.00 64.86 63.78 1yjx h ILE 171 Cb 1.48 2.13 -0.13 0.00 -0.74 0.00 0.00 36.82 39.56 1yjx h ILE 171 CO -0.14 0.38 -0.27 0.58 0.00 0.00 0.00 178.15 178.71 1yjx h VAL 172 N -0.99 0.21 -0.62 1.67 2.07 -0.96 0.06 116.25 117.70 1yjx h VAL 172 Ca -0.00 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.64 1yjx h VAL 172 Cb 0.63 0.21 -0.12 0.00 -1.52 0.00 0.00 31.29 30.50 1yjx h VAL 172 CO 0.00 0.00 -0.13 -0.65 0.02 0.00 0.00 177.57 176.81 1yjx h PRO 173 N -0.08 0.01 -0.22 1.57 0.11 -1.76 0.14 132.00 131.77 1yjx h PRO 173 Ca 0.29 -0.00 0.04 0.00 0.11 0.00 0.00 66.00 66.44 1yjx h PRO 173 Cb 0.54 -0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.61 1yjx h PRO 173 CO -0.72 0.01 -0.03 1.96 -0.21 0.00 0.00 178.00 179.01 1yjx h GLN 174 N 0.01 0.03 -0.60 1.05 1.08 -1.13 -1.59 115.11 113.97 1yjx h GLN 174 Ca 0.30 -0.00 0.05 0.00 -1.45 0.00 0.00 58.65 57.54 1yjx h GLN 174 Cb 0.46 -0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 27.84 1yjx h GLN 174 CO -0.62 0.02 0.33 0.82 -0.95 0.00 0.00 178.83 178.43 1yjx h ILE 175 N 0.03 0.99 0.00 2.54 2.04 -0.53 -0.52 117.51 122.06 1yjx h ILE 175 Ca 0.10 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 1yjx h ILE 175 Cb 0.15 0.30 -0.00 0.00 -0.74 0.00 0.00 36.82 36.52 1yjx h ILE 175 CO -0.20 0.12 -0.07 0.11 0.00 0.00 0.00 178.15 178.11 1yjx h LYS 176 N 0.64 0.00 -0.80 2.37 1.57 -0.39 -1.23 116.57 118.73 1yjx h LYS 176 Ca 0.26 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.93 1yjx h LYS 176 Cb 0.13 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.38 1yjx h LYS 176 CO -0.16 0.07 0.14 0.39 -0.57 0.00 0.00 179.45 179.32 1yjx n GLU 177 N -3.70 3.18 -0.90 3.15 1.02 -0.25 -4.89 120.64 118.24 1yjx n GLU 177 Ca -0.02 -2.18 0.00 0.00 -0.02 0.00 0.00 57.16 54.94 1yjx n GLU 177 Cb 0.17 -1.98 0.00 0.00 -0.02 0.00 0.00 31.44 29.61 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 0.11 0.44 3.71 0.62 0.00 -0.46 -4.99 105.19 104.61 1yjx n GLY 178 Ca 0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.62 4.38 -0.52 1.61 -0.14 -0.89 -4.96 119.74 118.60 1yjx s LYS 179 Ca 0.00 1.88 -0.28 0.00 -1.36 0.00 0.00 55.97 56.21 1yjx s LYS 179 Cb 0.00 -3.34 0.03 0.00 -1.68 0.00 0.00 37.83 32.84 1yjx s LYS 179 CO 0.00 -0.35 1.14 1.03 -0.76 0.00 0.00 175.35 176.41 1yjx s ARG 180 N 1.25 3.62 0.14 1.68 3.00 -1.26 -4.32 118.95 123.05 1yjx s ARG 180 Ca 0.61 0.39 -0.15 0.00 0.00 0.00 0.00 55.73 56.59 1yjx s ARG 180 Cb -0.32 -3.95 -0.07 0.00 0.00 0.00 0.00 34.95 30.61 1yjx s ARG 180 CO 0.29 -1.49 0.54 0.08 0.00 0.00 0.00 175.30 174.72 1yjx s VAL 181 N 4.59 4.86 -0.11 3.52 1.01 -1.25 0.21 120.40 133.22 1yjx s VAL 181 Ca 0.45 0.85 0.00 0.00 0.00 0.00 0.00 61.98 63.28 1yjx s VAL 181 Cb -0.08 -3.74 0.02 0.00 0.00 0.00 0.00 36.38 32.58 1yjx s VAL 181 CO 0.29 0.27 -0.10 -0.22 0.00 0.00 0.00 175.10 175.34 1yjx s LEU 182 N -1.88 1.38 -0.23 3.92 2.96 -0.86 -2.28 118.68 121.69 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 -0.92 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 0.00 176.35 174.42 1yjx s ILE 183 N 1.49 2.75 -0.37 6.68 1.01 0.16 -1.27 121.20 131.65 1yjx s ILE 183 Ca 0.02 -0.96 -0.08 0.00 0.00 0.00 0.00 60.65 59.63 1yjx s ILE 183 Cb -0.13 -2.34 0.05 0.00 0.01 0.00 0.00 42.46 40.04 1yjx s ILE 183 CO -0.07 0.29 0.18 0.00 0.00 0.00 0.00 174.94 175.34 1yjx s ALA 184 N 1.33 3.18 0.00 9.38 0.00 -0.29 -0.46 121.76 134.89 1yjx s ALA 184 Ca 0.01 -1.88 0.00 0.00 0.00 0.00 0.00 51.96 50.10 1yjx s ALA 184 Cb -0.16 -2.47 0.00 0.00 0.00 0.00 0.00 23.12 20.49 1yjx s ALA 184 CO -0.06 -1.45 0.00 0.00 0.00 0.00 0.00 175.76 174.25 1yjx n ALA 185 N 4.89 0.00 -2.50 0.00 0.00 -0.37 -3.80 120.51 118.73 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 0.44 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 -2.11 115.29 119.44 1yjx s HIS 186 Ca 0.00 -0.49 -0.32 0.00 -0.15 0.00 0.00 55.06 54.10 1yjx s HIS 186 Cb 0.00 -1.70 -0.10 0.00 1.11 0.00 0.00 32.58 31.89 1yjx s HIS 186 CO 0.00 0.34 1.57 0.78 -0.85 0.00 0.00 174.74 176.58 1yjx h GLY 187 N 1.61 -0.94 1.32 -2.22 0.00 -1.95 0.21 103.07 101.10 1yjx h GLY 187 Ca -0.43 0.61 -0.15 0.00 0.00 0.00 0.00 47.33 47.36 1yjx h GLY 187 CO 0.68 -0.22 -0.42 3.43 0.00 0.00 0.00 176.54 180.00 1yjx h ASN 188 N -0.58 0.79 -0.44 0.19 2.35 -1.97 -0.97 115.58 114.95 1yjx h ASN 188 Ca 0.04 -0.37 -0.11 0.00 -0.55 0.00 0.00 56.30 55.32 1yjx h ASN 188 Cb 0.68 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.81 1yjx h ASN 188 CO -0.40 1.11 -0.14 0.77 -1.65 0.00 0.00 177.43 177.13 1yjx h SER 189 N 0.60 0.88 -0.31 5.81 4.64 -1.73 -2.43 113.55 121.01 1yjx h SER 189 Ca 0.04 -0.37 -0.04 0.00 -0.47 0.00 0.00 61.79 60.95 1yjx h SER 189 Cb 0.97 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.80 1yjx h SER 189 CO 0.09 1.05 0.08 -0.07 -0.87 0.00 0.00 176.83 177.12 1yjx h LEU 190 N 0.70 0.53 -0.91 5.97 3.38 -0.87 -1.10 115.31 123.01 1yjx h LEU 190 Ca 0.11 -0.08 0.05 0.00 0.09 0.00 0.00 57.88 58.05 1yjx h LEU 190 Cb 0.68 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 41.24 1yjx h LEU 190 CO 0.05 0.54 0.58 0.03 0.09 0.00 0.00 178.44 179.73 1yjx h ARG 191 N 0.56 1.05 -0.11 1.13 3.08 -0.78 -0.44 114.38 118.87 1yjx h ARG 191 Ca 0.13 -0.06 0.04 0.00 0.07 0.00 0.00 59.98 60.16 1yjx h ARG 191 Cb 0.24 -0.24 -0.05 0.00 0.08 0.00 0.00 29.97 30.00 1yjx h ARG 191 CO -0.00 0.69 -0.21 0.78 -1.07 0.00 0.00 179.97 180.16 1yjx h GLY 192 N 1.08 -0.20 0.79 0.04 0.00 -0.74 0.41 103.07 104.44 1yjx h GLY 192 Ca 0.38 0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.97 1yjx h GLY 192 CO -0.15 -0.18 -0.18 -2.22 0.00 0.00 0.00 176.54 173.80 1yjx h ILE 193 N -0.27 0.60 -0.29 2.60 5.03 -1.20 -1.67 117.51 122.31 1yjx h ILE 193 Ca 0.09 0.00 0.06 0.00 -0.12 0.00 0.00 64.86 64.89 1yjx h ILE 193 Cb 0.41 0.60 -0.05 0.00 -3.03 0.00 0.00 36.82 34.75 1yjx h ILE 193 CO -0.27 0.00 -0.06 0.58 -0.68 0.00 0.00 178.15 177.72 1yjx h VAL 194 N -0.39 0.73 -0.92 1.67 2.07 -0.60 0.80 116.25 119.60 1yjx h VAL 194 Ca 0.00 -0.01 0.09 0.00 0.82 0.00 0.00 66.70 67.60 1yjx h VAL 194 Cb 0.37 0.70 -0.07 0.00 -1.52 0.00 0.00 31.29 30.77 1yjx h VAL 194 CO -0.04 0.00 0.57 0.50 0.02 0.00 0.00 177.57 178.62 1yjx h LYS 195 N 0.02 0.94 0.02 1.57 3.64 0.01 -0.26 116.57 122.51 1yjx h LYS 195 Ca 0.14 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1yjx h LYS 195 Cb 0.21 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1yjx h LYS 195 CO -0.29 0.62 -0.01 1.25 -2.27 0.00 0.00 179.45 178.76 1yjx h HIS 196 N 0.97 -0.03 -0.08 1.91 2.76 -0.30 0.21 115.15 120.60 1yjx h HIS 196 Ca 0.43 -0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.61 1yjx h HIS 196 Cb 0.32 0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.27 1yjx h HIS 196 CO -0.03 0.27 -0.02 -0.07 -1.30 0.00 0.00 177.93 176.79 1yjx h LEU 197 N -0.33 -0.07 -0.57 0.26 3.38 -0.40 -2.96 115.31 114.63 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 0.31 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1yjx h LEU 197 CO 0.00 -0.02 -0.13 -0.62 0.09 0.00 0.00 178.44 177.76 1yjx n GLU 198 N -5.13 1.09 -3.88 1.13 1.02 -0.15 -4.50 120.64 110.22 1yjx n GLU 198 Ca -0.05 -0.57 -0.29 0.00 -0.02 0.00 0.00 57.16 56.22 1yjx n GLU 198 Cb 0.06 -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 -0.50 3.80 0.62 0.00 0.71 -4.94 105.19 106.14 1yjx n GLY 199 Ca 0.15 0.20 -0.33 0.00 0.00 0.00 0.00 46.02 46.05 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 -7.27 3.46 0.80 0.99 1.43 -0.93 -5.04 118.68 112.11 1yjx s LEU 200 Ca 0.64 1.82 -0.12 0.00 -1.03 0.00 0.00 54.13 55.44 1yjx s LEU 200 Cb -0.32 -4.53 0.07 0.00 0.03 0.00 0.00 46.19 41.44 1yjx s LEU 200 CO 0.82 -1.24 1.12 -0.94 0.23 0.00 0.00 176.35 176.34 1yjx s SER 201 N -2.83 4.52 0.30 2.29 1.04 -1.26 -4.82 113.70 112.94 1yjx s SER 201 Ca 0.64 1.13 -0.02 0.00 0.48 0.00 0.00 55.95 58.17 1yjx s SER 201 Cb -0.16 -1.81 0.45 0.00 0.10 0.00 0.00 66.02 64.59 1yjx s SER 201 CO 0.39 -1.93 1.97 -0.33 0.98 0.00 0.00 173.24 174.32 1yjx h GLU 202 N -1.06 1.08 -0.30 4.02 5.08 -1.99 -1.44 114.58 119.97 1yjx h GLU 202 Ca -0.47 -0.07 -0.13 0.00 -1.00 0.00 0.00 59.36 57.69 1yjx h GLU 202 Cb 1.29 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 30.29 1yjx h GLU 202 CO 0.62 0.72 -0.33 0.93 -1.00 0.00 0.00 179.01 179.94 1yjx h GLU 203 N 1.12 0.75 -0.77 2.33 5.08 -2.00 -2.52 114.58 118.57 1yjx h GLU 203 Ca 0.30 -0.41 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 1yjx h GLU 203 Cb -0.13 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.11 1yjx h GLU 203 CO -0.07 1.03 0.44 0.00 -1.00 0.00 0.00 179.01 179.41 1yjx h ALA 204 N 0.71 1.32 0.00 3.43 0.00 -1.83 -1.97 119.26 120.92 1yjx h ALA 204 Ca 0.04 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 1yjx h ALA 204 Cb 0.91 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1yjx h ALA 204 CO 0.08 0.57 -0.63 0.97 0.00 0.00 0.00 179.25 180.24 1yjx h ILE 205 N 1.07 1.44 -0.29 0.00 6.09 -1.23 -2.46 117.51 122.12 1yjx h ILE 205 Ca 0.27 -2.18 -0.15 0.00 -1.37 0.00 0.00 64.86 61.43 1yjx h ILE 205 Cb 0.00 2.18 -0.01 0.00 0.47 0.00 0.00 36.82 39.47 1yjx h ILE 205 CO -0.05 0.62 -0.43 0.24 -3.07 0.00 0.00 178.15 175.46 1yjx h MET 206 N 0.00 0.74 0.00 2.19 2.86 -0.96 -2.93 114.93 116.83 1yjx h MET 206 Ca -0.01 -0.41 -0.00 0.00 -2.06 0.00 0.00 59.70 57.23 1yjx h MET 206 Cb 1.13 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.81 1yjx h MET 206 CO 0.08 1.03 -0.00 0.93 1.06 0.00 0.00 176.91 180.01 1yjx h GLU 207 N 0.60 0.00 -6.46 1.72 5.08 -1.28 -3.44 114.58 110.80 1yjx h GLU 207 Ca 0.04 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.87 1yjx h GLU 207 Cb 0.99 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.24 1yjx h GLU 207 CO 0.09 0.00 0.55 -1.17 -1.00 0.00 0.00 179.01 177.49 1yjx s LEU 208 N -6.20 4.36 -0.28 1.33 2.96 -0.94 -5.01 118.68 114.90 1yjx s LEU 208 Ca 0.05 1.96 -0.01 0.00 -0.22 0.00 0.00 54.13 55.91 1yjx s LEU 208 Cb 0.06 -3.58 0.09 0.00 0.50 0.00 0.00 46.19 43.27 1yjx s LEU 208 CO 0.63 -0.45 0.07 0.20 -1.32 0.00 0.00 176.35 175.47 1yjx s ASN 209 N 1.09 3.85 0.37 3.68 -0.87 -1.26 -4.98 114.94 116.82 1yjx s ASN 209 Ca 0.58 -1.47 -0.28 0.00 -1.57 0.00 0.00 52.86 50.13 1yjx s ASN 209 Cb -0.28 -0.89 -0.10 0.00 -0.02 0.00 0.00 41.25 39.96 1yjx s ASN 209 CO 0.28 -0.37 1.36 -0.76 -2.57 0.00 0.00 177.10 175.04 1yjx s LEU 210 N 1.60 4.32 0.67 0.60 1.43 -1.26 -4.98 118.68 121.07 1yjx s LEU 210 Ca 0.06 2.79 -0.16 0.00 -1.03 0.00 0.00 54.13 55.80 1yjx s LEU 210 Cb -0.17 -3.74 0.01 0.00 0.03 0.00 0.00 46.19 42.32 1yjx s LEU 210 CO -0.19 -0.75 1.16 -2.84 0.23 0.00 0.00 176.35 173.96 1yjx s PRO 211 N -2.03 2.58 0.05 1.29 0.02 -1.26 -5.02 135.00 130.62 1yjx s PRO 211 Ca 0.53 1.60 -0.03 0.00 0.02 0.00 0.00 61.00 63.12 1yjx s PRO 211 Cb -0.41 -1.90 -0.04 0.00 0.02 0.00 0.00 34.50 32.16 1yjx s PRO 211 CO 0.55 -1.46 0.25 0.95 -0.33 0.00 0.00 177.00 176.95 1yjx s THR 212 N -2.08 5.34 0.00 0.99 -4.23 -1.26 -4.32 115.64 110.07 1yjx s THR 212 Ca 0.71 -0.14 0.00 0.00 -1.18 0.00 0.00 61.69 61.08 1yjx s THR 212 Cb -0.25 -3.60 0.00 0.00 1.34 0.00 0.00 72.50 69.99 1yjx s THR 212 CO 0.41 0.21 0.00 0.61 -0.54 0.00 0.00 174.62 175.31 1yjx n GLY 213 N 0.57 0.36 3.64 3.99 0.00 0.92 -4.90 105.19 109.76 1yjx n GLY 213 Ca -0.07 0.00 -0.35 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 -1.78 4.99 0.08 -0.61 1.01 -1.26 -3.96 121.20 119.67 1yjx s ILE 214 Ca 0.00 0.04 -0.31 0.00 0.00 0.00 0.00 60.65 60.39 1yjx s ILE 214 Cb 0.00 -3.28 -0.09 0.00 0.01 0.00 0.00 42.46 39.09 1yjx s ILE 214 CO 0.00 0.41 1.84 -2.84 0.00 0.00 0.00 174.94 174.35 1yjx s PRO 215 N 0.69 4.15 -0.30 2.79 0.02 -1.26 -4.55 135.00 136.54 1yjx s PRO 215 Ca 0.05 2.55 -0.10 0.00 0.02 0.00 0.00 61.00 63.52 1yjx s PRO 215 Cb -0.13 -3.79 -0.02 0.00 0.02 0.00 0.00 34.50 30.58 1yjx s PRO 215 CO 0.01 -0.86 0.15 0.42 -0.33 0.00 0.00 177.00 176.39 1yjx s ILE 216 N 3.33 4.77 -0.18 2.83 1.01 0.13 -2.53 121.20 130.57 1yjx s ILE 216 Ca 0.82 -0.22 -0.07 0.00 0.00 0.00 0.00 60.65 61.17 1yjx s ILE 216 Cb -0.44 -3.36 -0.04 0.00 0.01 0.00 0.00 42.46 38.63 1yjx s ILE 216 CO 0.37 0.15 0.06 -0.69 0.00 0.00 0.00 174.94 174.83 1yjx s VAL 217 N 1.66 4.77 -0.01 2.92 1.01 0.13 -0.22 120.40 130.65 1yjx s VAL 217 Ca 0.06 -0.04 0.07 0.00 0.00 0.00 0.00 61.98 62.07 1yjx s VAL 217 Cb -0.16 -3.14 -0.02 0.00 0.00 0.00 0.00 36.38 33.05 1yjx s VAL 217 CO 0.07 0.47 -0.23 -0.31 0.00 0.00 0.00 175.10 175.09 1yjx s TYR 218 N 0.32 2.41 -0.27 5.22 1.51 0.15 -1.55 117.35 125.14 1yjx s TYR 218 Ca 0.03 -0.37 -0.01 0.00 -1.01 0.00 0.00 57.07 55.71 1yjx s TYR 218 Cb -0.12 -1.50 0.04 0.00 -0.11 0.00 0.00 41.96 40.27 1yjx s TYR 218 CO 0.00 0.04 -0.05 -1.21 -1.11 0.00 0.00 175.55 173.23 1yjx s GLU 219 N -0.78 2.51 0.06 -0.62 2.02 -1.26 -0.65 118.70 119.98 1yjx s GLU 219 Ca 0.11 -1.19 0.02 0.00 0.02 0.00 0.00 54.97 53.93 1yjx s GLU 219 Cb -0.10 -3.04 -0.04 0.00 0.10 0.00 0.00 34.13 31.05 1yjx s GLU 219 CO 0.00 -0.54 0.08 -0.51 0.02 0.00 0.00 175.26 174.32 1yjx s LEU 220 N 1.24 3.83 0.00 1.80 1.43 -0.06 -1.27 118.68 125.65 1yjx s LEU 220 Ca -0.04 0.03 -0.06 0.00 -1.03 0.00 0.00 54.13 53.03 1yjx s LEU 220 Cb -0.19 -2.45 0.17 0.00 0.03 0.00 0.00 46.19 43.75 1yjx s LEU 220 CO -0.03 0.20 1.08 -0.90 0.23 0.00 0.00 176.35 176.92 1yjx n ASP 221 N 0.62 0.89 0.05 2.29 5.68 -0.91 -0.85 116.55 124.32 1yjx n ASP 221 Ca -0.09 -1.88 0.04 0.00 -0.50 0.00 0.00 54.79 52.36 1yjx n ASP 221 Cb 0.52 -0.75 0.21 0.00 -1.14 0.00 0.00 41.12 39.95 1yjx n ASP 221 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 1yjx n LYS 222 N -3.11 0.05 -0.48 0.11 -0.00 -1.26 0.49 118.16 113.95 1yjx n LYS 222 Ca 0.16 0.52 0.08 0.00 -0.00 0.00 0.00 58.31 59.07 1yjx n LYS 222 Cb 0.57 -1.64 0.29 0.00 -0.00 0.00 0.00 35.03 34.24 1yjx n LYS 222 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1yjx n ASN 223 N -1.74 4.17 -3.81 -5.58 0.23 -1.26 -4.96 115.26 102.31 1yjx n ASN 223 Ca -0.00 -2.50 -0.27 0.00 -0.53 0.00 0.00 54.58 51.28 1yjx n ASN 223 Cb 0.03 -0.49 0.04 0.00 -2.08 0.00 0.00 39.78 37.27 1yjx n ASN 223 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1yjx n LEU 224 N 0.58 -2.83 -4.28 -4.53 4.77 0.18 -4.99 117.00 105.89 1yjx n LEU 224 Ca 0.22 -0.75 -0.33 0.00 -0.03 0.00 0.00 56.01 55.12 1yjx n LEU 224 Cb 0.80 -2.67 -0.16 0.00 -2.33 0.00 0.00 43.42 39.06 1yjx n LEU 224 CO 0.18 0.48 -0.51 -0.54 -1.33 0.00 0.00 177.39 175.68 1yjx s LYS 225 N -6.41 3.19 -0.14 3.23 -0.14 -1.26 -4.79 119.74 113.42 1yjx s LYS 225 Ca 0.50 -0.79 -0.37 0.00 -1.36 0.00 0.00 55.97 53.96 1yjx s LYS 225 Cb -0.25 -2.47 -0.14 0.00 -1.68 0.00 0.00 37.83 33.30 1yjx s LYS 225 CO 0.81 0.16 1.79 -2.30 -0.76 0.00 0.00 175.35 175.04 1yjx n PRO 226 N 3.63 1.73 -0.12 -1.68 -0.02 -1.26 -2.14 135.00 135.13 1yjx n PRO 226 Ca -0.19 0.63 0.05 0.00 -2.02 0.00 0.00 63.50 61.97 1yjx n PRO 226 Cb 0.53 -2.40 0.14 0.00 -0.02 0.00 0.00 33.50 31.75 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 4.71 0.32 0.00 4.25 -5.35 -0.40 -4.87 119.36 118.01 1yjx n ILE 227 Ca 0.24 -0.33 0.00 0.00 -0.27 0.00 0.00 62.75 62.39 1yjx n ILE 227 Cb 0.22 0.17 0.00 0.00 -1.74 0.00 0.00 39.64 38.29 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 0.21 0.00 -1.01 6.28 2.85 -1.26 -5.08 118.16 120.15 1yjx n LYS 228 Ca 0.09 0.00 -0.32 0.00 -1.05 0.00 0.00 58.31 57.03 1yjx n LYS 228 Cb 0.21 0.00 0.13 0.00 -0.65 0.00 0.00 35.03 34.73 1yjx n LYS 228 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 1yjx s PRO 229 N -2.00 1.51 0.40 -1.58 0.04 -1.26 -4.75 135.00 127.36 1yjx s PRO 229 Ca 0.00 1.62 -0.27 0.00 0.04 0.00 0.00 61.00 62.39 1yjx s PRO 229 Cb 0.00 -1.78 -0.10 0.00 0.04 0.00 0.00 34.50 32.66 1yjx s PRO 229 CO 0.00 -2.28 1.48 0.00 0.04 0.00 0.00 177.00 176.24 1yjx n MET 230 N -3.62 2.58 -4.28 4.56 0.00 -1.26 -4.92 117.12 110.18 1yjx n MET 230 Ca 0.12 0.91 -0.28 0.00 0.00 0.00 0.00 57.70 58.45 1yjx n MET 230 Cb 0.51 -2.68 -0.10 0.00 0.00 0.00 0.00 33.22 30.96 1yjx n MET 230 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 1yjx s GLN 231 N -2.22 2.00 0.42 3.17 -0.21 -0.60 -4.94 119.66 117.28 1yjx s GLN 231 Ca 0.55 -1.21 0.08 0.00 0.02 0.00 0.00 55.36 54.80 1yjx s GLN 231 Cb -0.46 -2.17 -0.03 0.00 1.00 0.00 0.00 33.01 31.35 1yjx s GLN 231 CO 0.62 0.46 0.34 -0.06 -2.12 0.00 0.00 175.29 174.52 1yjx s PHE 232 N -1.51 2.67 -0.04 0.91 2.99 -1.26 0.19 117.98 121.92 1yjx s PHE 232 Ca 0.23 -0.52 0.02 0.00 0.00 0.00 0.00 56.93 56.66 1yjx s PHE 232 Cb -0.09 -2.13 0.01 0.00 0.00 0.00 0.00 43.02 40.81 1yjx s PHE 232 CO 0.14 -0.06 -0.10 -0.51 -0.00 0.00 0.00 175.22 174.68 1yjx s LEU 233 N -4.09 1.68 0.00 -0.37 1.43 -1.05 -4.90 118.68 111.39 1yjx s LEU 233 Ca 0.47 -0.23 0.00 0.00 -1.03 0.00 0.00 54.13 53.34 1yjx s LEU 233 Cb -0.02 -0.66 0.00 0.00 0.03 0.00 0.00 46.19 45.54 1yjx s LEU 233 CO 0.27 0.05 0.00 0.61 0.23 0.00 0.00 176.35 177.50 1yjx n GLY 234 N 3.55 2.52 3.71 -3.19 0.00 -1.26 -4.43 105.19 106.09 1yjx n GLY 234 Ca -0.21 -1.87 -0.42 0.00 0.00 0.00 0.00 46.02 43.52 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 6.42 0.60 1.61 -4.77 -1.26 -4.27 116.67 115.00 1yjx s ASP 235 Ca 0.00 2.80 0.28 0.00 -3.30 0.00 0.00 52.55 52.33 1yjx s ASP 235 Cb 0.00 -2.59 1.05 0.00 -1.09 0.00 0.00 42.92 40.29 1yjx s ASP 235 CO 0.00 -0.96 1.43 1.05 0.70 0.00 0.00 175.17 177.39 1yjx h GLU 236 N 7.29 0.00 0.00 2.11 4.11 -1.97 0.56 114.58 126.67 1yjx h GLU 236 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.99 1yjx h GLU 236 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1yjx h GLU 236 CO 0.95 0.00 0.00 0.39 0.07 0.00 0.00 179.01 180.42 1yjx n GLU 237 N -3.34 0.22 0.00 1.06 -0.58 -1.26 0.48 120.64 117.22 1yjx n GLU 237 Ca 0.21 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.95 1yjx n GLU 237 Cb 1.36 -1.30 0.00 0.00 -0.57 0.00 0.00 31.44 30.93 1yjx n GLU 237 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1yjx n THR 238 N -0.80 0.00 0.04 2.62 -1.04 0.18 -4.45 114.28 110.82 1yjx n THR 238 Ca 0.03 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.91 1yjx n THR 238 Cb 0.01 -0.08 -0.09 0.00 -1.82 0.00 0.00 70.33 68.35 1yjx n THR 238 CO 0.00 0.00 0.00 -0.37 -0.64 0.00 0.00 175.07 174.06 1yjx h VAL 239 N 0.00 1.15 0.00 12.58 -1.51 -0.94 0.35 116.25 127.88 1yjx h VAL 239 Ca 0.00 -0.87 -0.11 0.00 -1.23 0.00 0.00 66.70 64.49 1yjx h VAL 239 Cb 0.00 1.70 -0.02 0.00 -2.13 0.00 0.00 31.29 30.85 1yjx h VAL 239 CO 0.00 0.21 -0.57 0.08 -1.23 0.00 0.00 177.57 176.06 1yjx h ARG 240 N -0.51 0.00 0.00 5.19 0.11 -0.19 -1.28 114.38 117.70 1yjx h ARG 240 Ca -0.01 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.03 1yjx h ARG 240 Cb 0.43 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.50 1yjx h ARG 240 CO 0.02 0.52 -0.20 1.57 0.10 0.00 0.00 179.97 181.99 1yjx h LYS 241 N 0.00 0.00 0.00 0.08 -0.00 -0.37 -2.85 116.57 113.43 1yjx h LYS 241 Ca -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 60.65 60.63 1yjx h LYS 241 Cb 1.42 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 33.65 1yjx h LYS 241 CO 0.07 0.20 -1.78 0.00 -0.00 0.00 0.00 179.45 177.94 1yjx n ALA 242 N -2.21 2.60 0.16 0.07 0.00 0.11 -4.35 120.51 116.89 1yjx n ALA 242 Ca 0.00 -0.41 0.03 0.00 0.00 0.00 0.00 53.44 53.06 1yjx n ALA 242 Cb 0.42 -0.57 0.16 0.00 0.00 0.00 0.00 19.45 19.46 1yjx n ALA 242 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1yjx h MET 243 N 0.00 0.00 0.00 0.00 2.07 -1.20 -3.47 114.93 112.33 1yjx h MET 243 Ca -0.01 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.62 1yjx h MET 243 Cb 0.79 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.52 1yjx h MET 243 CO 0.00 0.49 0.00 -0.85 1.07 0.00 0.00 176.91 177.62