#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yjx s TYR 4 N 0.00 2.07 -0.02 0.00 4.12 -0.79 -5.02 117.35 117.71 1yjx s TYR 4 Ca 0.00 -0.40 0.05 0.00 0.02 0.00 0.00 57.07 56.74 1yjx s TYR 4 Cb 0.00 -1.11 -0.01 0.00 -1.52 0.00 0.00 41.96 39.32 1yjx s TYR 4 CO 0.00 0.30 -0.16 0.21 0.02 0.00 0.00 175.55 175.93 1yjx s LYS 5 N -2.11 1.32 -0.03 -0.62 2.20 -1.26 -1.54 119.74 117.71 1yjx s LYS 5 Ca 0.12 -0.55 0.02 0.00 -0.36 0.00 0.00 55.97 55.19 1yjx s LYS 5 Cb -0.10 -1.25 0.01 0.00 -1.51 0.00 0.00 37.83 34.98 1yjx s LYS 5 CO 0.06 0.32 -0.05 -1.17 -0.36 0.00 0.00 175.35 174.14 1yjx s LEU 6 N -0.29 1.63 -0.09 5.43 0.20 0.06 -3.89 118.68 121.73 1yjx s LEU 6 Ca 0.04 -0.12 0.03 0.00 0.69 0.00 0.00 54.13 54.77 1yjx s LEU 6 Cb -0.07 -0.40 0.00 0.00 -0.43 0.00 0.00 46.19 45.29 1yjx s LEU 6 CO -0.00 0.01 -0.21 -0.69 -0.29 0.00 0.00 176.35 175.17 1yjx s VAL 7 N 0.43 1.80 0.14 1.68 1.01 -0.94 0.11 120.40 124.63 1yjx s VAL 7 Ca -0.06 -0.86 0.09 0.00 0.00 0.00 0.00 61.98 61.15 1yjx s VAL 7 Cb -0.09 -1.57 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 1yjx s VAL 7 CO 0.00 0.50 -0.16 -0.76 0.00 0.00 0.00 175.10 174.68 1yjx s LEU 8 N 0.45 2.76 -0.17 3.92 1.43 0.16 -0.91 118.68 126.32 1yjx s LEU 8 Ca -0.17 -0.59 -0.07 0.00 -1.03 0.00 0.00 54.13 52.27 1yjx s LEU 8 Cb -0.17 -1.55 0.07 0.00 0.03 0.00 0.00 46.19 44.57 1yjx s LEU 8 CO 0.07 0.15 0.38 -0.51 0.23 0.00 0.00 176.35 176.67 1yjx s ILE 9 N -1.34 -0.39 -0.15 -0.59 2.07 -0.01 0.74 121.20 121.53 1yjx s ILE 9 Ca 0.20 0.17 -0.18 0.00 -1.41 0.00 0.00 60.65 59.42 1yjx s ILE 9 Cb -0.10 -0.59 -0.04 0.00 0.13 0.00 0.00 42.46 41.86 1yjx s ILE 9 CO 0.12 0.07 0.50 -0.60 -1.91 0.00 0.00 174.94 173.12 1yjx s ARG 10 N 2.15 4.28 0.77 3.50 3.52 -1.26 -1.69 118.95 130.21 1yjx s ARG 10 Ca -0.04 0.45 -0.15 0.00 -0.13 0.00 0.00 55.73 55.87 1yjx s ARG 10 Cb -0.11 -3.49 0.03 0.00 -1.56 0.00 0.00 34.95 29.83 1yjx s ARG 10 CO -0.12 0.03 0.99 -2.39 -0.81 0.00 0.00 175.30 173.00 1yjx n HIS 11 N 4.12 0.66 -1.09 5.12 1.44 -1.00 0.24 115.22 124.71 1yjx n HIS 11 Ca -0.06 0.38 0.00 0.00 -2.01 0.00 0.00 57.72 56.04 1yjx n HIS 11 Cb 0.51 -2.06 0.00 0.00 0.12 0.00 0.00 29.99 28.56 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 0.96 0.03 3.58 -1.39 0.00 -1.26 -4.27 105.19 102.83 1yjx n GLY 12 Ca 0.13 -1.79 -0.49 0.00 0.00 0.00 0.00 46.02 43.86 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 -0.43 1.17 -3.69 1.61 2.13 -1.26 -4.86 120.64 115.31 1yjx n GLU 13 Ca 0.00 0.42 -0.22 0.00 0.66 0.00 0.00 57.16 58.02 1yjx n GLU 13 Cb 0.00 -1.93 -0.04 0.00 0.27 0.00 0.00 31.44 29.74 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 0.04 4.92 0.25 4.31 1.04 -1.26 -0.71 113.70 122.29 1yjx s SER 14 Ca 0.74 -0.81 -0.04 0.00 0.48 0.00 0.00 55.95 56.32 1yjx s SER 14 Cb -0.86 -0.56 0.37 0.00 0.10 0.00 0.00 66.02 65.08 1yjx s SER 14 CO 0.52 -0.63 1.86 0.00 0.98 0.00 0.00 173.24 175.97 1yjx h ALA 15 N 1.12 1.27 0.00 5.32 0.00 -0.63 0.11 119.26 126.45 1yjx h ALA 15 Ca -0.42 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.46 1yjx h ALA 15 Cb 1.26 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 1yjx h ALA 15 CO 0.60 0.32 -0.09 -1.49 0.00 0.00 0.00 179.25 178.59 1yjx h TRP 16 N 1.03 0.00 -0.10 0.00 4.06 -1.92 -2.96 115.95 116.06 1yjx h TRP 16 Ca 0.40 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 61.35 1yjx h TRP 16 Cb 0.20 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.35 1yjx h TRP 16 CO -0.02 0.09 0.05 -0.91 -3.56 0.00 0.00 178.44 174.09 1yjx h ASN 17 N 0.00 0.14 0.37 -3.49 2.35 -1.23 -0.59 115.58 113.13 1yjx h ASN 17 Ca -0.00 -0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.61 1yjx h ASN 17 Cb 0.85 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.19 1yjx h ASN 17 CO 0.01 0.24 -0.01 0.00 -1.65 0.00 0.00 177.43 176.03 1yjx n LEU 18 N -4.93 0.03 -0.59 1.61 -0.00 -1.10 -1.32 117.00 110.70 1yjx n LEU 18 Ca -0.06 0.17 0.13 0.00 -0.00 0.00 0.00 56.01 56.26 1yjx n LEU 18 Cb 0.10 -0.19 0.30 0.00 -0.00 0.00 0.00 43.42 43.63 1yjx n LEU 18 CO 0.34 0.01 0.68 -0.62 -0.00 0.00 0.00 177.39 177.80 1yjx n GLU 19 N -1.17 1.67 -3.65 1.47 1.02 -0.86 -4.95 120.64 114.17 1yjx n GLU 19 Ca 0.17 -1.19 -0.21 0.00 -0.02 0.00 0.00 57.16 55.91 1yjx n GLU 19 Cb 0.20 -1.48 0.05 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 0.38 -1.98 -4.46 1.62 4.05 -0.43 -4.90 115.26 109.53 1yjx n ASN 20 Ca 0.15 -0.75 -0.26 0.00 0.45 0.00 0.00 54.58 54.17 1yjx n ASN 20 Cb 0.45 -4.36 -0.11 0.00 1.23 0.00 0.00 39.78 36.98 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 -5.90 1.64 -0.10 1.20 0.52 -0.36 -1.28 118.95 114.68 1yjx s ARG 21 Ca 0.09 -1.58 -0.30 0.00 -0.52 0.00 0.00 55.73 53.43 1yjx s ARG 21 Cb -0.04 -1.86 -0.02 0.00 0.52 0.00 0.00 34.95 33.55 1yjx s ARG 21 CO 0.79 0.38 1.07 -0.06 0.02 0.00 0.00 175.30 177.50 1yjx s PHE 22 N -1.95 3.40 -0.19 -0.53 0.08 -0.68 -4.62 117.98 113.49 1yjx s PHE 22 Ca 0.24 1.47 -0.15 0.00 0.12 0.00 0.00 56.93 58.61 1yjx s PHE 22 Cb -0.07 -3.27 -0.08 0.00 -0.57 0.00 0.00 43.02 39.03 1yjx s PHE 22 CO 0.12 -0.58 -0.21 0.43 -0.10 0.00 0.00 175.22 174.88 1yjx n SER 23 N 5.13 1.89 0.00 1.36 7.64 -1.26 0.39 113.62 128.77 1yjx n SER 23 Ca 0.10 0.44 0.00 0.00 1.01 0.00 0.00 58.87 60.42 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 1.47 4.12 0.14 0.23 0.00 -1.26 -0.56 105.19 109.32 1yjx n GLY 24 Ca -0.22 0.07 0.15 0.00 0.00 0.00 0.00 46.02 46.02 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 -4.58 117.44 132.34 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 -0.11 -0.03 0.00 -2.42 0.00 0.00 31.31 28.75 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 -2.28 2.96 -0.93 -5.99 5.04 0.27 -4.84 117.35 111.59 1yjx s TYR 26 Ca 0.35 0.72 -0.08 0.00 -2.44 0.00 0.00 57.07 55.62 1yjx s TYR 26 Cb 0.21 -3.96 -0.16 0.00 0.35 0.00 0.00 41.96 38.40 1yjx s TYR 26 CO 0.42 -3.40 3.14 -3.47 -1.34 0.00 0.00 175.55 170.91 1yjx n ASP 27 N 3.16 7.05 -4.77 4.32 2.03 -1.26 -4.94 116.55 122.13 1yjx n ASP 27 Ca 0.11 -2.50 -0.40 0.00 0.52 0.00 0.00 54.79 52.51 1yjx n ASP 27 Cb 0.38 -1.46 -0.01 0.00 -0.72 0.00 0.00 41.12 39.31 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 1.79 3.42 0.60 -1.67 0.00 -1.26 -4.75 121.76 119.88 1yjx s ALA 28 Ca 0.66 1.28 -0.03 0.00 0.00 0.00 0.00 51.96 53.86 1yjx s ALA 28 Cb 0.23 -3.49 0.03 0.00 0.00 0.00 0.00 23.12 19.89 1yjx s ALA 28 CO -0.03 -0.74 0.87 0.34 0.00 0.00 0.00 175.76 176.20 1yjx s ASP 29 N -0.55 5.28 0.57 0.00 -1.08 -1.26 -3.45 116.67 116.18 1yjx s ASP 29 Ca 0.52 0.36 -0.18 0.00 -0.52 0.00 0.00 52.55 52.73 1yjx s ASP 29 Cb -0.40 -1.25 -0.05 0.00 -1.46 0.00 0.00 42.92 39.77 1yjx s ASP 29 CO 0.52 -1.21 1.13 -0.76 0.52 0.00 0.00 175.17 175.37 1yjx s LEU 30 N -4.95 3.67 0.55 -1.34 1.43 -1.26 0.00 118.68 116.78 1yjx s LEU 30 Ca 0.56 2.14 -0.04 0.00 -1.03 0.00 0.00 54.13 55.77 1yjx s LEU 30 Cb -0.10 -4.57 0.01 0.00 0.03 0.00 0.00 46.19 41.55 1yjx s LEU 30 CO 0.42 -1.32 0.83 -0.94 0.23 0.00 0.00 176.35 175.57 1yjx s SER 31 N -1.95 5.63 0.26 2.29 1.04 0.11 -4.41 113.70 116.68 1yjx s SER 31 Ca 0.72 0.55 -0.01 0.00 0.48 0.00 0.00 55.95 57.68 1yjx s SER 31 Cb -0.23 -1.61 0.55 0.00 0.10 0.00 0.00 66.02 64.83 1yjx s SER 31 CO 0.30 -0.97 1.75 -0.65 0.98 0.00 0.00 173.24 174.65 1yjx h PRO 32 N -0.00 0.54 -0.41 4.02 0.11 -1.96 0.81 132.00 135.11 1yjx h PRO 32 Ca -0.45 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 1yjx h PRO 32 Cb 1.26 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 1yjx h PRO 32 CO 0.59 0.36 0.25 0.00 -0.21 0.00 0.00 178.00 178.99 1yjx h ALA 33 N 1.58 0.52 -0.67 -0.75 0.00 -1.92 -0.29 119.26 117.73 1yjx h ALA 33 Ca 0.47 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1yjx h ALA 33 Cb 0.71 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1yjx h ALA 33 CO -0.39 0.01 0.43 0.78 0.00 0.00 0.00 179.25 180.08 1yjx h GLY 34 N 0.54 0.95 0.89 0.00 0.00 -1.05 0.49 103.07 104.89 1yjx h GLY 34 Ca 0.15 -0.37 -0.03 0.00 0.00 0.00 0.00 47.33 47.08 1yjx h GLY 34 CO -0.03 0.36 0.06 0.84 0.00 0.00 0.00 176.54 177.77 1yjx h HIS 35 N 0.91 0.50 -0.91 5.60 6.17 -0.30 -2.28 115.15 124.85 1yjx h HIS 35 Ca 0.24 -0.06 0.04 0.00 0.71 0.00 0.00 60.37 61.30 1yjx h HIS 35 Cb -0.08 -0.14 -0.05 0.00 2.52 0.00 0.00 27.41 29.66 1yjx h HIS 35 CO 0.00 0.55 0.60 1.49 0.71 0.00 0.00 177.93 181.28 1yjx h GLU 36 N 0.30 1.09 -0.10 5.26 4.57 -0.06 -0.94 114.58 124.71 1yjx h GLU 36 Ca 0.09 -0.07 0.02 0.00 -1.18 0.00 0.00 59.36 58.22 1yjx h GLU 36 Cb 0.31 -0.25 -0.02 0.00 -0.16 0.00 0.00 28.75 28.64 1yjx h GLU 36 CO 0.00 0.72 -0.02 0.93 -1.18 0.00 0.00 179.01 179.47 1yjx h GLU 37 N 1.13 0.00 -0.62 1.92 5.08 -0.57 0.09 114.58 121.62 1yjx h GLU 37 Ca 0.37 -0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.78 1yjx h GLU 37 Cb 0.05 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.24 1yjx h GLU 37 CO -0.12 0.00 0.33 0.00 -1.00 0.00 0.00 179.01 178.23 1yjx h ALA 38 N 1.10 0.81 -0.89 3.43 0.00 -0.78 -0.38 119.26 122.54 1yjx h ALA 38 Ca 0.05 0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.05 1yjx h ALA 38 Cb 0.07 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 17.69 1yjx h ALA 38 CO -0.10 0.01 0.55 -0.22 0.00 0.00 0.00 179.25 179.49 1yjx h LYS 39 N 0.63 0.95 -0.10 0.00 3.64 -0.42 -0.33 116.57 120.95 1yjx h LYS 39 Ca 0.27 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.57 1yjx h LYS 39 Cb 0.17 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 31.77 1yjx h LYS 39 CO -0.17 0.63 -0.03 0.00 -2.27 0.00 0.00 179.45 177.61 1yjx h ARG 40 N 0.98 0.20 0.00 1.90 3.08 0.40 -1.79 114.38 119.15 1yjx h ARG 40 Ca 0.40 -0.08 -0.00 0.00 0.07 0.00 0.00 59.98 60.37 1yjx h ARG 40 Cb 0.23 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.27 1yjx h ARG 40 CO -0.19 0.52 -0.02 0.78 -1.07 0.00 0.00 179.97 179.99 1yjx h GLY 41 N -0.14 0.00 0.54 0.04 0.00 -0.74 -0.55 103.07 102.22 1yjx h GLY 41 Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 1yjx h GLY 41 CO 0.01 0.00 -0.01 -1.33 0.00 0.00 0.00 176.54 175.21 1yjx h GLY 42 N 0.10 0.04 0.60 4.60 0.00 -0.66 -2.21 103.07 105.54 1yjx h GLY 42 Ca -0.00 -0.04 0.08 0.00 0.00 0.00 0.00 47.33 47.38 1yjx h GLY 42 CO 0.00 0.03 0.51 0.06 0.00 0.00 0.00 176.54 177.15 1yjx h GLN 43 N -0.44 0.86 -0.07 4.80 -0.00 -0.49 0.26 115.11 120.04 1yjx h GLN 43 Ca 0.00 -0.05 0.03 0.00 -0.00 0.00 0.00 58.65 58.63 1yjx h GLN 43 Cb 0.50 -0.19 -0.04 0.00 -0.00 0.00 0.00 27.48 27.75 1yjx h GLN 43 CO 0.00 0.57 -0.15 0.00 -0.00 0.00 0.00 178.83 179.26 1yjx h ALA 44 N 1.44 -0.12 -0.80 0.06 0.00 -0.97 0.59 119.26 119.47 1yjx h ALA 44 Ca 0.40 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.32 1yjx h ALA 44 Cb 0.30 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 1yjx h ALA 44 CO -0.22 -0.62 0.42 -0.07 0.00 0.00 0.00 179.25 178.76 1yjx h LEU 45 N -0.21 1.01 -0.27 0.00 3.38 -0.71 0.03 115.31 118.55 1yjx h LEU 45 Ca 0.07 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1yjx h LEU 45 Cb 0.31 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1yjx h LEU 45 CO -0.19 0.83 0.14 -0.09 0.09 0.00 0.00 178.44 179.22 1yjx h ARG 46 N 1.13 0.39 -0.60 1.13 1.12 0.63 -0.62 114.38 117.56 1yjx h ARG 46 Ca 0.28 -0.05 -0.08 0.00 -1.11 0.00 0.00 59.98 59.02 1yjx h ARG 46 Cb 0.06 -0.07 -0.02 0.00 -0.01 0.00 0.00 29.97 29.92 1yjx h ARG 46 CO -0.04 0.36 0.06 -0.44 -3.11 0.00 0.00 179.97 176.80 1yjx h ASP 47 N 0.31 0.95 0.25 -3.80 3.32 0.56 -1.05 116.42 116.97 1yjx h ASP 47 Ca 0.09 -0.23 0.00 0.00 0.02 0.00 0.00 57.03 56.91 1yjx h ASP 47 Cb 0.09 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.39 1yjx h ASP 47 CO -0.01 0.98 0.00 0.00 -1.72 0.00 0.00 179.24 178.48 1yjx n ALA 48 N -2.47 2.34 -3.25 3.45 0.00 -0.04 -4.90 120.51 115.64 1yjx n ALA 48 Ca 0.04 -0.14 -0.22 0.00 0.00 0.00 0.00 53.44 53.12 1yjx n ALA 48 Cb 0.30 -1.40 0.05 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 0.70 -0.50 3.78 0.00 0.00 -0.36 -4.97 105.19 103.84 1yjx n GLY 49 Ca 0.15 0.16 -0.36 0.00 0.00 0.00 0.00 46.02 45.97 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 -3.23 3.09 -0.02 1.61 1.51 -0.48 -5.03 117.35 114.80 1yjx s TYR 50 Ca 0.42 1.60 0.04 0.00 -1.01 0.00 0.00 57.07 58.11 1yjx s TYR 50 Cb -0.18 -3.21 -0.00 0.00 -0.11 0.00 0.00 41.96 38.45 1yjx s TYR 50 CO 0.52 -0.96 -0.12 -1.21 -1.11 0.00 0.00 175.55 172.66 1yjx s GLU 51 N -2.66 1.11 0.32 -0.62 2.02 -1.26 -4.87 118.70 112.73 1yjx s GLU 51 Ca 0.61 -0.43 0.08 0.00 0.02 0.00 0.00 54.97 55.25 1yjx s GLU 51 Cb -0.24 -1.04 -0.06 0.00 0.10 0.00 0.00 34.13 32.89 1yjx s GLU 51 CO 0.29 0.22 -0.07 -0.06 0.02 0.00 0.00 175.26 175.66 1yjx s PHE 52 N -0.10 2.20 -0.00 1.61 0.40 -1.26 -4.83 117.98 116.00 1yjx s PHE 52 Ca 0.01 -0.61 0.01 0.00 -0.60 0.00 0.00 56.93 55.74 1yjx s PHE 52 Cb -0.07 -1.29 -0.01 0.00 0.51 0.00 0.00 43.02 42.16 1yjx s PHE 52 CO 0.00 0.43 0.01 -0.25 0.70 0.00 0.00 175.22 176.11 1yjx n ASP 53 N -0.71 4.85 -3.62 1.36 8.00 0.06 -4.93 116.55 121.56 1yjx n ASP 53 Ca -0.05 0.00 -0.15 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 42.58 1yjx n ASP 53 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1yjx s ILE 54 N -2.04 0.01 0.06 0.53 2.07 -1.22 -4.26 121.20 116.34 1yjx s ILE 54 Ca -0.00 -0.08 0.08 0.00 -1.41 0.00 0.00 60.65 59.24 1yjx s ILE 54 Cb 0.00 -0.87 -0.03 0.00 0.13 0.00 0.00 42.46 41.69 1yjx s ILE 54 CO 0.03 -0.05 -0.23 0.00 -1.91 0.00 0.00 174.94 172.78 1yjx s PHE 56 N -0.86 1.40 0.30 0.00 0.40 -0.21 0.25 117.98 119.25 1yjx s PHE 56 Ca 0.09 -0.38 -0.06 0.00 -0.60 0.00 0.00 56.93 55.98 1yjx s PHE 56 Cb -0.09 -0.96 -0.00 0.00 0.51 0.00 0.00 43.02 42.48 1yjx s PHE 56 CO 0.02 -0.14 0.45 -0.08 0.70 0.00 0.00 175.22 176.18 1yjx s THR 57 N 0.09 0.00 0.00 0.64 -1.32 -0.38 -0.91 115.64 113.75 1yjx s THR 57 Ca -0.03 -1.56 0.00 0.00 -1.21 0.00 0.00 61.69 58.89 1yjx s THR 57 Cb -0.10 -2.51 0.00 0.00 -1.51 0.00 0.00 72.50 68.38 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 -1.00 0.00 -1.31 8.08 3.41 -1.24 -1.27 113.62 120.29 1yjx n SER 58 Ca -0.00 -0.76 -0.01 0.00 -0.26 0.00 0.00 58.87 57.84 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 -1.39 2.58 -4.46 -3.33 0.24 -1.24 -4.04 118.33 106.68 1yjx n VAL 59 Ca 0.00 -2.15 -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 -3.05 3.52 0.06 7.34 -0.21 -1.26 -5.04 119.66 121.02 1yjx s GLN 60 Ca 0.47 -0.60 -0.12 0.00 0.02 0.00 0.00 55.36 55.13 1yjx s GLN 60 Cb 0.40 -2.83 -0.03 0.00 1.00 0.00 0.00 33.01 31.55 1yjx s GLN 60 CO 0.07 0.16 1.01 1.63 -2.12 0.00 0.00 175.29 176.04 1yjx n LYS 61 N 3.73 -0.17 -0.38 2.91 5.02 -1.26 -1.25 118.16 126.76 1yjx n LYS 61 Ca -0.18 1.00 0.30 0.00 -2.02 0.00 0.00 58.31 57.41 1yjx n LYS 61 Cb 0.52 -1.48 0.57 0.00 -0.02 0.00 0.00 35.03 34.63 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 0.22 0.00 1.97 0.11 -1.88 0.89 114.38 115.69 1yjx h ARG 62 Ca 0.06 -0.01 -0.03 0.00 0.10 0.00 0.00 59.98 60.10 1yjx h ARG 62 Cb 0.16 -0.05 -0.00 0.00 1.11 0.00 0.00 29.97 31.19 1yjx h ARG 62 CO -0.37 0.14 -0.18 0.00 0.10 0.00 0.00 179.97 179.66 1yjx h ALA 63 N 1.66 0.04 -0.36 0.08 0.00 -1.49 -2.86 119.26 116.34 1yjx h ALA 63 Ca 0.73 -0.54 0.07 0.00 0.00 0.00 0.00 54.91 55.17 1yjx h ALA 63 Cb 2.06 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 19.90 1yjx h ALA 63 CO -0.42 0.11 -0.03 0.82 0.00 0.00 0.00 179.25 179.73 1yjx h ILE 64 N -1.00 0.70 -0.30 0.00 2.04 0.08 0.92 117.51 119.96 1yjx h ILE 64 Ca -0.05 -0.02 -0.02 0.00 1.00 0.00 0.00 64.86 65.77 1yjx h ILE 64 Cb 0.92 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 37.61 1yjx h ILE 64 CO -0.03 0.01 0.11 -0.09 0.00 0.00 0.00 178.15 178.15 1yjx h ARG 65 N 0.07 0.41 -0.44 2.37 2.43 0.60 0.13 114.38 119.95 1yjx h ARG 65 Ca 0.18 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.24 1yjx h ARG 65 Cb 0.25 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 1yjx h ARG 65 CO -0.32 0.36 0.07 1.15 -1.51 0.00 0.00 179.97 179.71 1yjx h THR 66 N 0.41 1.25 0.20 0.20 2.02 -0.77 -0.90 112.91 115.31 1yjx h THR 66 Ca 0.10 -0.90 -0.01 0.00 0.77 0.00 0.00 66.41 66.38 1yjx h THR 66 Cb 0.11 0.99 -0.00 0.00 -1.74 0.00 0.00 68.15 67.50 1yjx h THR 66 CO -0.01 0.31 -0.12 0.25 0.37 0.00 0.00 175.52 176.32 1yjx h LEU 67 N 0.58 -0.30 -0.39 2.58 6.46 0.41 -1.19 115.31 123.47 1yjx h LEU 67 Ca 0.13 0.02 0.08 0.00 -0.12 0.00 0.00 57.88 57.99 1yjx h LEU 67 Cb 0.39 0.09 -0.07 0.00 -0.73 0.00 0.00 40.66 40.33 1yjx h LEU 67 CO 0.01 -0.19 -0.07 -0.50 -0.62 0.00 0.00 178.44 177.07 1yjx h TRP 68 N -0.31 -0.15 -0.61 1.25 4.06 -0.67 0.14 115.95 119.67 1yjx h TRP 68 Ca -0.02 0.03 0.03 0.00 2.06 0.00 0.00 58.89 61.00 1yjx h TRP 68 Cb 0.25 0.13 -0.04 0.00 -1.00 0.00 0.00 29.16 28.50 1yjx h TRP 68 CO -0.09 -0.14 0.37 1.15 -3.56 0.00 0.00 178.44 176.17 1yjx h THR 69 N 0.03 1.04 0.19 1.49 2.02 -0.94 0.40 112.91 117.15 1yjx h THR 69 Ca 0.19 -0.24 -0.01 0.00 0.77 0.00 0.00 66.41 67.11 1yjx h THR 69 Cb 0.28 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 66.97 1yjx h THR 69 CO -0.37 0.13 -0.09 0.58 0.37 0.00 0.00 175.52 176.13 1yjx h VAL 70 N 0.71 0.88 -0.94 3.16 2.07 -0.37 -0.52 116.25 121.23 1yjx h VAL 70 Ca 0.25 -0.33 0.13 0.00 0.82 0.00 0.00 66.70 67.57 1yjx h VAL 70 Cb 0.06 1.08 -0.09 0.00 -1.52 0.00 0.00 31.29 30.82 1yjx h VAL 70 CO -0.12 0.08 0.56 -0.07 0.02 0.00 0.00 177.57 178.04 1yjx h LEU 71 N -0.42 0.80 -0.17 2.57 3.38 -0.48 -0.53 115.31 120.45 1yjx h LEU 71 Ca -0.03 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1yjx h LEU 71 Cb 0.32 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1yjx h LEU 71 CO 0.04 0.41 0.07 -0.78 0.09 0.00 0.00 178.44 178.27 1yjx h ASP 72 N 0.87 0.24 -0.93 -0.43 -0.00 -0.70 0.44 116.42 115.89 1yjx h ASP 72 Ca 0.48 -0.15 0.05 0.00 -0.00 0.00 0.00 57.03 57.40 1yjx h ASP 72 Cb 0.52 -0.06 -0.06 0.00 -0.00 0.00 0.00 39.33 39.74 1yjx h ASP 72 CO -0.29 0.32 0.60 0.00 -0.00 0.00 0.00 179.24 179.88 1yjx h ALA 73 N 0.92 1.26 -0.46 -0.78 0.00 0.24 -2.40 119.26 118.03 1yjx h ALA 73 Ca 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1yjx h ALA 73 Cb 0.16 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1yjx h ALA 73 CO -0.01 0.43 0.00 0.44 0.00 0.00 0.00 179.25 180.12 1yjx n ILE 74 N -4.52 2.03 -3.94 0.00 -5.35 -0.34 -4.82 119.36 102.43 1yjx n ILE 74 Ca 0.13 -1.07 -0.34 0.00 -0.27 0.00 0.00 62.75 61.20 1yjx n ILE 74 Cb 0.13 -0.26 0.00 0.00 -1.74 0.00 0.00 39.64 37.77 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 0.56 -2.85 -2.75 7.28 4.64 -0.82 -4.90 116.55 117.71 1yjx n ASP 75 Ca 0.22 -1.12 0.00 0.00 -1.38 0.00 0.00 54.79 52.50 1yjx n ASP 75 Cb 0.95 -2.61 0.05 0.00 -1.04 0.00 0.00 41.12 38.46 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 -4.53 1.61 0.15 -0.67 6.02 0.08 -4.87 117.38 115.17 1yjx n GLN 76 Ca -0.19 -3.32 0.12 0.00 -0.01 0.00 0.00 57.00 53.60 1yjx n GLN 76 Cb 0.62 -1.43 0.53 0.00 1.02 0.00 0.00 30.24 30.98 1yjx n GLN 76 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 1yjx n MET 77 N -0.57 0.18 0.02 -1.09 2.81 -1.24 -1.97 117.12 115.26 1yjx n MET 77 Ca 0.06 0.50 0.14 0.00 -1.81 0.00 0.00 57.70 56.58 1yjx n MET 77 Cb 0.82 -1.91 0.54 0.00 -0.71 0.00 0.00 33.22 31.96 1yjx n MET 77 CO 0.00 0.00 0.00 -2.67 1.51 0.00 0.00 175.97 174.81 1yjx n TRP 78 N -2.27 0.19 -1.80 2.03 4.27 -1.26 -4.89 117.44 113.71 1yjx n TRP 78 Ca 0.01 0.06 -0.40 0.00 -3.89 0.00 0.00 57.50 53.28 1yjx n TRP 78 Cb 0.17 -0.57 0.02 0.00 -1.36 0.00 0.00 31.31 29.57 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 -3.32 4.08 0.26 5.67 1.43 -0.83 -4.94 118.68 121.02 1yjx s LEU 79 Ca 0.13 2.89 -0.30 0.00 -1.03 0.00 0.00 54.13 55.82 1yjx s LEU 79 Cb 0.17 -3.99 -0.09 0.00 0.03 0.00 0.00 46.19 42.32 1yjx s LEU 79 CO 0.56 -1.23 1.11 -2.16 0.23 0.00 0.00 176.35 174.86 1yjx s PRO 80 N -2.52 4.62 0.01 1.29 0.04 -1.26 -4.89 135.00 132.29 1yjx s PRO 80 Ca 0.62 1.81 0.06 0.00 0.04 0.00 0.00 61.00 63.53 1yjx s PRO 80 Cb -0.43 -3.20 -0.02 0.00 0.04 0.00 0.00 34.50 30.89 1yjx s PRO 80 CO 0.55 0.16 -0.19 0.14 0.04 0.00 0.00 177.00 177.70 1yjx s VAL 81 N -0.93 1.48 -0.15 -0.36 -7.23 -1.26 -1.19 120.40 110.77 1yjx s VAL 81 Ca 0.46 -0.95 0.02 0.00 -1.81 0.00 0.00 61.98 59.70 1yjx s VAL 81 Cb -0.32 -1.26 0.01 0.00 0.56 0.00 0.00 36.38 35.37 1yjx s VAL 81 CO 0.40 0.29 -0.21 -0.69 -0.31 0.00 0.00 175.10 174.58 1yjx s VAL 82 N -0.60 2.11 -0.01 1.32 1.01 0.14 -4.95 120.40 119.42 1yjx s VAL 82 Ca 0.07 -0.96 -0.02 0.00 0.00 0.00 0.00 61.98 61.06 1yjx s VAL 82 Cb -0.08 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.41 1yjx s VAL 82 CO 0.00 0.55 0.17 -0.13 0.00 0.00 0.00 175.10 175.69 1yjx s ARG 83 N 0.87 3.40 -0.25 2.72 0.52 -1.26 -1.25 118.95 123.69 1yjx s ARG 83 Ca -0.06 -0.34 -0.18 0.00 -0.52 0.00 0.00 55.73 54.64 1yjx s ARG 83 Cb -0.15 -3.07 0.07 0.00 0.52 0.00 0.00 34.95 32.32 1yjx s ARG 83 CO -0.03 0.67 0.63 -0.08 0.02 0.00 0.00 175.30 176.51 1yjx s THR 84 N -1.31 -0.00 0.43 0.02 -1.32 -0.40 -4.95 115.64 108.11 1yjx s THR 84 Ca 0.27 0.01 0.37 0.00 -1.21 0.00 0.00 61.69 61.13 1yjx s THR 84 Cb -0.13 -0.90 0.39 0.00 -1.51 0.00 0.00 72.50 70.36 1yjx s THR 84 CO 0.18 0.01 2.18 4.11 -2.21 0.00 0.00 174.62 178.89 1yjx h TRP 85 N 6.20 0.00 0.00 9.09 5.08 -1.89 -2.01 115.95 132.42 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 0.23 0.03 0.00 0.54 -1.28 0.00 0.00 178.44 177.96 1yjx n ARG 86 N -3.24 0.15 -0.24 0.12 1.74 -1.26 -0.23 116.66 113.70 1yjx n ARG 86 Ca -0.02 0.54 0.10 0.00 -0.77 0.00 0.00 57.85 57.70 1yjx n ARG 86 Cb 0.18 -1.89 0.23 0.00 -1.02 0.00 0.00 32.46 29.95 1yjx n ARG 86 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1yjx n LEU 87 N -2.20 3.40 -4.58 0.55 4.77 -0.75 -3.94 117.00 114.24 1yjx n LEU 87 Ca 0.00 -1.77 -0.31 0.00 -0.03 0.00 0.00 56.01 53.91 1yjx n LEU 87 Cb 0.11 -0.31 0.19 0.00 -2.33 0.00 0.00 43.42 41.08 1yjx n LEU 87 CO 0.13 0.80 0.52 0.59 -1.33 0.00 0.00 177.39 178.11 1yjx n ASN 88 N 1.24 -0.49 -4.75 -1.43 4.13 0.68 -4.19 115.26 110.44 1yjx n ASN 88 Ca 0.18 0.25 -0.31 0.00 1.68 0.00 0.00 54.58 56.38 1yjx n ASN 88 Cb 0.54 -1.38 0.10 0.00 -1.54 0.00 0.00 39.78 37.50 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 -4.44 2.04 0.26 3.52 2.56 -1.26 -4.31 118.70 117.07 1yjx s GLU 89 Ca 0.66 1.24 -0.30 0.00 0.00 0.00 0.00 54.97 56.57 1yjx s GLU 89 Cb -0.23 -1.87 -0.10 0.00 2.00 0.00 0.00 34.13 33.93 1yjx s GLU 89 CO 0.61 -1.82 1.46 0.50 -0.56 0.00 0.00 175.26 175.45 1yjx s ARG 90 N -4.85 4.24 -0.07 4.30 3.52 -1.26 -4.63 118.95 120.21 1yjx s ARG 90 Ca 0.62 2.35 -0.30 0.00 -0.13 0.00 0.00 55.73 58.27 1yjx s ARG 90 Cb -0.18 -3.09 -0.04 0.00 -1.56 0.00 0.00 34.95 30.07 1yjx s ARG 90 CO 0.56 -0.45 1.47 -1.58 -0.81 0.00 0.00 175.30 174.50 1yjx s HIS 91 N -0.09 2.48 -0.83 5.12 5.65 -1.26 -4.24 115.29 122.11 1yjx s HIS 91 Ca 0.59 0.60 0.09 0.00 0.25 0.00 0.00 55.06 56.59 1yjx s HIS 91 Cb -0.43 -3.73 0.44 0.00 -1.18 0.00 0.00 32.58 27.68 1yjx s HIS 91 CO 0.45 -2.85 1.21 0.66 -0.65 0.00 0.00 174.74 173.57 1yjx n TYR 92 N 6.46 1.06 -0.91 3.88 4.01 -1.26 -1.15 117.16 129.25 1yjx n TYR 92 Ca 0.15 -0.38 0.00 0.00 -0.16 0.00 0.00 57.90 57.51 1yjx n TYR 92 Cb 0.44 -0.27 0.00 0.00 -0.31 0.00 0.00 39.34 39.19 1yjx n TYR 92 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1yjx n GLY 93 N 0.49 1.42 0.35 2.72 0.00 -1.25 -1.50 105.19 107.42 1yjx n GLY 93 Ca 0.15 -0.35 0.18 0.00 0.00 0.00 0.00 46.02 46.00 1yjx n GLY 93 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1yjx h GLY 94 N 0.00 0.00 2.00 -0.02 0.00 -0.68 0.26 103.07 104.63 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 -9.31 3.11 3.38 -1.49 -3.44 115.31 107.56 1yjx h LEU 95 Ca 0.06 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.38 1yjx h LEU 95 Cb 0.60 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.39 1yjx h LEU 95 CO -0.00 0.00 0.77 0.41 0.09 0.00 0.00 178.44 179.71 1yjx n THR 96 N -2.61 0.18 0.00 0.22 -1.04 0.08 -1.19 114.28 109.92 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 -1.32 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 3.50 3.03 3.77 3.41 0.00 0.16 -4.89 105.19 114.17 1yjx n GLY 97 Ca 0.20 0.00 -0.35 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 3.66 -0.02 0.99 1.43 -0.33 -4.62 118.68 119.79 1yjx s LEU 98 Ca 0.00 2.15 -0.30 0.00 -1.03 0.00 0.00 54.13 54.95 1yjx s LEU 98 Cb 0.00 -4.57 -0.03 0.00 0.03 0.00 0.00 46.19 41.61 1yjx s LEU 98 CO 0.00 -1.34 1.05 0.21 0.23 0.00 0.00 176.35 176.51 1yjx s ASN 99 N -1.95 7.25 0.19 2.29 3.84 -1.26 -1.68 114.94 123.61 1yjx s ASN 99 Ca 0.72 1.71 -0.12 0.00 0.21 0.00 0.00 52.86 55.38 1yjx s ASN 99 Cb -0.23 -2.57 0.19 0.00 -0.55 0.00 0.00 41.25 38.09 1yjx s ASN 99 CO 0.31 -0.38 1.78 0.11 -2.79 0.00 0.00 177.10 176.12 1yjx h LYS 100 N 6.96 0.48 -0.43 0.43 1.57 -1.53 0.05 116.57 124.10 1yjx h LYS 100 Ca -0.38 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.37 1yjx h LYS 100 Cb 1.19 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 33.37 1yjx h LYS 100 CO 0.80 0.32 0.26 0.00 -0.57 0.00 0.00 179.45 180.26 1yjx h ALA 101 N 1.32 0.55 -0.60 3.86 0.00 -1.92 -1.01 119.26 121.46 1yjx h ALA 101 Ca 0.25 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 1yjx h ALA 101 Cb 0.21 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1yjx h ALA 101 CO -0.20 0.04 -0.03 0.93 0.00 0.00 0.00 179.25 179.99 1yjx h GLU 102 N 0.57 1.07 -0.90 0.00 5.08 -1.86 -1.51 114.58 117.03 1yjx h GLU 102 Ca 0.15 -0.36 -0.01 0.00 -1.00 0.00 0.00 59.36 58.15 1yjx h GLU 102 Cb -0.00 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.12 1yjx h GLU 102 CO -0.03 1.06 0.53 1.15 -1.00 0.00 0.00 179.01 180.72 1yjx h THR 103 N 0.97 1.25 -0.69 1.13 2.02 -0.70 0.14 112.91 117.03 1yjx h THR 103 Ca 0.17 -0.56 -0.06 0.00 0.77 0.00 0.00 66.41 66.72 1yjx h THR 103 Cb 0.59 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.98 1yjx h THR 103 CO 0.04 0.27 0.18 0.00 0.37 0.00 0.00 175.52 176.38 1yjx h ALA 104 N 1.29 1.02 -0.45 6.16 0.00 -0.87 -0.72 119.26 125.69 1yjx h ALA 104 Ca 0.32 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 1yjx h ALA 104 Cb -0.03 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1yjx h ALA 104 CO -0.06 0.65 -0.04 0.00 0.00 0.00 0.00 179.25 179.79 1yjx h ALA 105 N 1.16 0.61 -0.20 0.00 0.00 -0.30 2.35 119.26 122.87 1yjx h ALA 105 Ca 0.22 -0.30 -0.20 0.00 0.00 0.00 0.00 54.91 54.63 1yjx h ALA 105 Cb 0.34 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.97 1yjx h ALA 105 CO -0.00 0.44 -0.67 -0.22 0.00 0.00 0.00 179.25 178.80 1yjx h LYS 106 N 0.66 0.81 -0.01 0.00 3.64 -0.61 -3.35 116.57 117.72 1yjx h LYS 106 Ca 0.12 -0.60 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1yjx h LYS 106 Cb 0.56 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.49 1yjx h LYS 106 CO 0.03 1.22 -0.31 0.72 -2.27 0.00 0.00 179.45 178.84 1yjx n HIS 107 N -3.99 0.00 0.00 1.91 8.25 -0.29 -5.10 115.22 116.00 1yjx n HIS 107 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 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 1.04 -2.14 0.36 -1.41 0.00 0.79 -4.33 105.19 99.51 1yjx n GLY 108 Ca 0.04 -1.42 -0.11 0.00 0.00 0.00 0.00 46.02 44.53 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 -0.42 -0.73 1.61 4.39 -1.93 -2.54 114.58 114.97 1yjx h GLU 109 Ca 0.00 0.03 0.16 0.00 0.34 0.00 0.00 59.36 59.89 1yjx h GLU 109 Cb 0.00 0.10 -0.12 0.00 -0.10 0.00 0.00 28.75 28.63 1yjx h GLU 109 CO 0.00 -0.28 0.07 0.00 -1.16 0.00 0.00 179.01 177.64 1yjx h ALA 110 N 0.30 0.82 -0.36 3.43 0.00 -1.94 0.41 119.26 121.92 1yjx h ALA 110 Ca 0.09 0.21 -0.16 0.00 0.00 0.00 0.00 54.91 55.05 1yjx h ALA 110 Cb 0.58 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1yjx h ALA 110 CO -0.38 -0.40 -0.41 0.37 0.00 0.00 0.00 179.25 178.44 1yjx h GLN 111 N 0.16 0.90 -0.30 0.00 5.75 -1.70 -1.07 115.11 118.85 1yjx h GLN 111 Ca 0.40 -0.49 -0.07 0.00 -0.15 0.00 0.00 58.65 58.35 1yjx h GLN 111 Cb 0.70 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.26 1yjx h GLN 111 CO -0.59 1.14 -0.08 0.28 -2.65 0.00 0.00 178.83 176.93 1yjx h VAL 112 N 0.73 1.28 -0.82 2.39 2.07 -0.87 -1.77 116.25 119.27 1yjx h VAL 112 Ca 0.05 -1.12 0.08 0.00 0.82 0.00 0.00 66.70 66.53 1yjx h VAL 112 Cb 1.00 1.39 -0.07 0.00 -1.52 0.00 0.00 31.29 32.09 1yjx h VAL 112 CO 0.10 0.36 0.49 0.11 0.02 0.00 0.00 177.57 178.65 1yjx h LYS 113 N 0.35 0.84 0.25 1.57 6.56 -0.15 0.87 116.57 126.87 1yjx h LYS 113 Ca 0.08 -0.05 -0.01 0.00 -1.06 0.00 0.00 60.65 59.61 1yjx h LYS 113 Cb 0.57 -0.19 -0.01 0.00 -0.57 0.00 0.00 32.23 32.03 1yjx h LYS 113 CO 0.03 0.56 -0.26 0.82 -2.06 0.00 0.00 179.45 178.54 1yjx h ILE 114 N 0.87 0.00 -0.77 1.86 1.08 -0.88 0.79 117.51 120.46 1yjx h ILE 114 Ca 0.38 0.00 0.18 0.00 -0.39 0.00 0.00 64.86 65.03 1yjx h ILE 114 Cb 0.25 0.00 -0.12 0.00 -3.07 0.00 0.00 36.82 33.88 1yjx h ILE 114 CO -0.20 0.00 0.12 -0.50 -0.69 0.00 0.00 178.15 176.87 1yjx h TRP 115 N -0.52 0.16 0.00 1.37 6.55 -0.87 0.69 115.95 123.33 1yjx h TRP 115 Ca -0.03 0.05 -0.20 0.00 0.95 0.00 0.00 58.89 59.66 1yjx h TRP 115 Cb 0.45 0.05 -0.03 0.00 -0.86 0.00 0.00 29.16 28.77 1yjx h TRP 115 CO -0.17 -0.17 -0.98 0.00 -1.05 0.00 0.00 178.44 176.06 1yjx h ARG 116 N 0.19 0.00 0.00 0.49 -0.00 -0.59 -3.40 114.38 111.06 1yjx h ARG 116 Ca 0.44 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.92 1yjx h ARG 116 Cb 0.80 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.77 1yjx h ARG 116 CO -0.60 0.89 -0.01 -2.13 0.00 0.00 0.00 179.97 178.11 1yjx n ARG 117 N -3.31 2.30 -3.56 0.04 0.63 0.27 -5.03 116.66 108.01 1yjx n ARG 117 Ca -0.01 -1.66 -0.30 0.00 -0.92 0.00 0.00 57.85 54.96 1yjx n ARG 117 Cb 0.92 -1.06 -0.04 0.00 0.45 0.00 0.00 32.46 32.72 1yjx n ARG 117 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1yjx s SER 118 N -1.36 6.50 0.00 6.15 1.04 0.19 -4.88 113.70 121.35 1yjx s SER 118 Ca 0.07 0.66 -0.18 0.00 0.48 0.00 0.00 55.95 56.98 1yjx s SER 118 Cb 0.06 -2.12 -0.32 0.00 0.10 0.00 0.00 66.02 63.74 1yjx s SER 118 CO 0.01 -0.03 0.98 0.22 0.98 0.00 0.00 173.24 175.39 1yjx h TYR 119 N 2.44 0.79 0.00 5.02 3.20 -1.90 -3.40 116.97 123.12 1yjx h TYR 119 Ca -0.47 -0.56 0.00 0.00 3.14 0.00 0.00 58.73 60.85 1yjx h TYR 119 Cb 1.17 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 39.40 1yjx h TYR 119 CO 0.60 1.42 -0.03 -0.40 -1.64 0.00 0.00 178.16 178.11 1yjx n ASP 120 N -3.93 1.98 -4.36 -2.11 5.68 -1.26 -1.35 116.55 111.21 1yjx n ASP 120 Ca -0.15 -2.52 -0.43 0.00 -0.50 0.00 0.00 54.79 51.19 1yjx n ASP 120 Cb 0.95 -0.23 -0.08 0.00 -1.14 0.00 0.00 41.12 40.61 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 -1.86 4.95 0.59 2.12 1.01 -1.26 -4.92 120.40 121.02 1yjx s VAL 121 Ca 0.16 -1.15 -0.17 0.00 0.00 0.00 0.00 61.98 60.83 1yjx s VAL 121 Cb 0.14 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 1yjx s VAL 121 CO 0.02 -0.55 1.09 -2.16 0.00 0.00 0.00 175.10 173.49 1yjx s PRO 122 N 1.58 3.24 0.97 2.72 0.04 -1.26 -4.74 135.00 137.55 1yjx s PRO 122 Ca 0.04 1.37 -0.14 0.00 0.04 0.00 0.00 61.00 62.30 1yjx s PRO 122 Cb -0.24 -2.01 0.18 0.00 0.04 0.00 0.00 34.50 32.47 1yjx s PRO 122 CO 0.05 -0.90 1.16 -1.25 0.04 0.00 0.00 177.00 176.11 1yjx s PRO 123 N -3.80 0.62 0.51 0.56 0.04 -1.26 -4.95 135.00 126.72 1yjx s PRO 123 Ca 0.67 0.11 -0.22 0.00 0.04 0.00 0.00 61.00 61.60 1yjx s PRO 123 Cb -0.19 -1.79 -0.07 0.00 0.04 0.00 0.00 34.50 32.48 1yjx s PRO 123 CO 0.34 -2.52 1.11 -2.30 0.04 0.00 0.00 177.00 173.67 1yjx n PRO 124 N -3.95 1.38 -1.80 0.56 -0.02 -1.26 -4.80 135.00 125.10 1yjx n PRO 124 Ca 0.09 0.51 -0.35 0.00 -2.02 0.00 0.00 63.50 61.73 1yjx n PRO 124 Cb 0.59 -2.25 0.05 0.00 -0.02 0.00 0.00 33.50 31.87 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 -2.47 2.70 -0.52 0.52 0.02 -1.26 -0.42 135.00 133.57 1yjx s PRO 125 Ca 0.69 1.72 -0.23 0.00 0.02 0.00 0.00 61.00 63.20 1yjx s PRO 125 Cb -0.47 -1.91 0.04 0.00 0.02 0.00 0.00 34.50 32.18 1yjx s PRO 125 CO 0.52 -1.39 0.86 1.41 -0.33 0.00 0.00 177.00 178.07 1yjx s MET 126 N -3.64 3.32 0.56 5.54 1.75 0.03 -3.13 119.30 123.72 1yjx s MET 126 Ca 0.74 -0.33 -0.17 0.00 -1.25 0.00 0.00 55.69 54.69 1yjx s MET 126 Cb -0.28 -4.04 -0.05 0.00 2.84 0.00 0.00 34.83 33.30 1yjx s MET 126 CO 0.38 -1.37 1.05 -1.21 -0.65 0.00 0.00 175.02 173.22 1yjx s GLU 127 N 3.61 3.48 0.60 4.11 0.41 -1.26 -4.90 118.70 124.75 1yjx s GLU 127 Ca 0.28 1.25 0.27 0.00 -0.41 0.00 0.00 54.97 56.36 1yjx s GLU 127 Cb -0.13 -2.05 1.48 0.00 -1.78 0.00 0.00 34.13 31.64 1yjx s GLU 127 CO 0.19 -0.68 1.82 -1.35 -0.49 0.00 0.00 175.26 174.74 1yjx h PRO 128 N 0.79 0.00 -0.56 0.39 0.11 -1.99 0.43 132.00 131.17 1yjx h PRO 128 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1yjx h PRO 128 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1yjx h PRO 128 CO 0.58 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.97 1yjx n ASP 129 N -2.73 3.46 -4.77 -2.05 5.75 -1.26 -4.80 116.55 110.15 1yjx n ASP 129 Ca -0.02 -1.98 -0.40 0.00 -0.01 0.00 0.00 54.79 52.38 1yjx n ASP 129 Cb 0.36 -0.37 -0.03 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 -1.26 3.22 0.62 2.11 2.46 0.15 -4.89 115.29 117.71 1yjx s HIS 130 Ca 0.43 1.55 0.27 0.00 0.47 0.00 0.00 55.06 57.77 1yjx s HIS 130 Cb 0.23 -3.46 1.38 0.00 -0.13 0.00 0.00 32.58 30.60 1yjx s HIS 130 CO 0.31 -1.28 1.79 -1.35 -2.47 0.00 0.00 174.74 171.74 1yjx h PRO 131 N 3.26 0.00 -0.00 2.88 0.11 -1.92 -1.37 132.00 134.95 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 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1yjx h PRO 131 CO 0.65 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 179.63 1yjx n PHE 132 N -3.28 0.01 0.16 0.65 3.72 -1.26 -4.78 117.46 112.67 1yjx n PHE 132 Ca 0.05 -0.74 -0.16 0.00 -0.05 0.00 0.00 57.45 56.56 1yjx n PHE 132 Cb 0.66 -0.10 -0.09 0.00 -0.94 0.00 0.00 39.48 39.01 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 0.02 -1.40 -0.31 1.38 3.20 -1.51 -0.95 116.97 117.39 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 0.74 0.58 -0.01 0.00 1.54 0.00 0.00 36.73 39.58 1yjx h TYR 133 CO 0.00 -0.58 0.14 0.77 -1.64 0.00 0.00 178.16 176.85 1yjx h SER 134 N -0.78 0.41 -1.00 -2.11 0.02 -1.87 -0.06 113.55 108.16 1yjx h SER 134 Ca -0.02 -0.14 0.22 0.00 -0.84 0.00 0.00 61.79 61.01 1yjx h SER 134 Cb 0.75 -0.11 -0.12 0.00 0.14 0.00 0.00 62.40 63.06 1yjx h SER 134 CO -0.20 0.44 0.60 -1.13 -1.14 0.00 0.00 176.83 175.40 1yjx h ASN 135 N 0.36 0.72 0.00 3.07 -0.73 -1.82 -1.72 115.58 115.47 1yjx h ASN 135 Ca 0.11 0.12 0.00 0.00 1.87 0.00 0.00 56.30 58.40 1yjx h ASN 135 Cb 0.14 -0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.73 1yjx h ASN 135 CO -0.01 0.18 0.00 -0.38 -0.37 0.00 0.00 177.43 176.85 1yjx n ILE 136 N -4.83 0.00 0.17 2.57 2.08 -0.38 -4.20 119.36 114.77 1yjx n ILE 136 Ca 0.25 0.24 0.19 0.00 0.56 0.00 0.00 62.75 63.99 1yjx n ILE 136 Cb 0.67 -1.12 0.79 0.00 -0.75 0.00 0.00 39.64 39.24 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 -0.45 4.38 4.64 -1.13 -0.77 113.55 120.23 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 -3.55 3.25 -2.17 4.77 4.76 -0.65 -4.96 118.16 119.61 1yjx n LYS 138 Ca 0.04 -2.62 -0.42 0.00 -2.87 0.00 0.00 58.31 52.43 1yjx n LYS 138 Cb 0.49 -1.69 -0.03 0.00 -1.84 0.00 0.00 35.03 31.96 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 -1.23 6.82 0.37 4.39 3.68 -0.30 -4.86 116.67 125.54 1yjx s ASP 139 Ca 0.40 2.23 0.21 0.00 2.13 0.00 0.00 52.55 57.52 1yjx s ASP 139 Cb 0.27 -2.57 1.35 0.00 -1.45 0.00 0.00 42.92 40.52 1yjx s ASP 139 CO 0.17 -0.71 1.58 -0.09 0.13 0.00 0.00 175.17 176.25 1yjx h ARG 140 N 7.53 0.01 -0.98 4.34 2.43 -1.93 -0.35 114.38 125.43 1yjx h ARG 140 Ca -0.40 -0.00 0.35 0.00 -0.81 0.00 0.00 59.98 59.12 1yjx h ARG 140 Cb 1.19 -0.00 -0.17 0.00 -0.42 0.00 0.00 29.97 30.57 1yjx h ARG 140 CO 0.89 0.01 0.43 -0.09 -1.51 0.00 0.00 179.97 179.70 1yjx h ARG 141 N 0.02 0.11 -0.54 0.20 2.43 -1.94 0.13 114.38 114.78 1yjx h ARG 141 Ca 0.85 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 60.01 1yjx h ARG 141 Cb 2.26 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 31.78 1yjx h ARG 141 CO -0.75 0.07 0.00 0.66 -1.51 0.00 0.00 179.97 178.45 1yjx n TYR 142 N -5.24 1.57 -0.29 2.20 4.01 -0.14 -4.69 117.16 114.58 1yjx n TYR 142 Ca 0.32 -0.69 0.17 0.00 -0.16 0.00 0.00 57.90 57.54 1yjx n TYR 142 Cb 1.04 -0.35 0.45 0.00 -0.31 0.00 0.00 39.34 40.17 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 3.56 2.03 -0.10 -0.72 0.00 -1.05 -1.20 119.26 121.77 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 1.61 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.36 1yjx h ALA 143 CO 0.32 -0.36 0.00 -0.25 0.00 0.00 0.00 179.25 178.96 1yjx n ASP 144 N -4.60 0.71 -4.86 0.00 8.00 -1.26 -4.86 116.55 109.67 1yjx n ASP 144 Ca 0.21 -1.77 -0.31 0.00 0.71 0.00 0.00 54.79 53.64 1yjx n ASP 144 Cb 0.67 -0.07 -0.02 0.00 -0.02 0.00 0.00 41.12 41.68 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 -1.29 3.61 0.59 0.64 1.43 -0.46 -5.06 118.68 118.15 1yjx s LEU 145 Ca 0.19 1.34 -0.05 0.00 -1.03 0.00 0.00 54.13 54.59 1yjx s LEU 145 Cb 0.10 -4.28 0.02 0.00 0.03 0.00 0.00 46.19 42.05 1yjx s LEU 145 CO 0.15 -0.58 0.89 0.42 0.23 0.00 0.00 176.35 177.46 1yjx s THR 146 N -2.66 3.35 0.45 5.49 -4.23 -1.26 -4.86 115.64 111.92 1yjx s THR 146 Ca 0.55 -0.16 0.17 0.00 -1.18 0.00 0.00 61.69 61.07 1yjx s THR 146 Cb -0.10 -3.33 0.36 0.00 1.34 0.00 0.00 72.50 70.76 1yjx s THR 146 CO 0.37 -0.33 1.95 1.05 -0.54 0.00 0.00 174.62 177.12 1yjx h GLU 147 N -0.18 0.33 0.13 3.99 9.09 -1.97 -1.40 114.58 124.57 1yjx h GLU 147 Ca -0.45 -0.02 -0.29 0.00 0.05 0.00 0.00 59.36 58.65 1yjx h GLU 147 Cb 1.27 -0.07 0.02 0.00 -1.65 0.00 0.00 28.75 28.32 1yjx h GLU 147 CO 0.60 0.22 -1.25 -0.44 0.05 0.00 0.00 179.01 178.18 1yjx h ASP 148 N 0.34 0.75 -0.19 3.06 3.32 -2.04 -3.35 116.42 118.31 1yjx h ASP 148 Ca 0.32 -0.72 -0.02 0.00 0.02 0.00 0.00 57.03 56.63 1yjx h ASP 148 Cb 0.80 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 1yjx h ASP 148 CO -0.09 1.54 0.04 1.56 -1.72 0.00 0.00 179.24 180.57 1yjx h GLN 149 N 0.21 0.32 -6.13 3.56 4.20 -1.64 -3.41 115.11 112.23 1yjx h GLN 149 Ca -0.18 -0.08 -0.58 0.00 0.06 0.00 0.00 58.65 57.87 1yjx h GLN 149 Cb 1.93 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 29.66 1yjx h GLN 149 CO 0.23 0.46 1.38 -1.17 -0.67 0.00 0.00 178.83 179.07 1yjx s LEU 150 N -9.64 3.51 0.54 1.46 1.98 -0.81 -4.94 118.68 110.78 1yjx s LEU 150 Ca -0.14 1.67 -0.08 0.00 -2.89 0.00 0.00 54.13 52.69 1yjx s LEU 150 Cb 0.07 -3.52 -0.04 0.00 0.66 0.00 0.00 46.19 43.36 1yjx s LEU 150 CO 0.72 -1.80 0.89 -2.16 -1.89 0.00 0.00 176.35 172.11 1yjx s PRO 151 N 5.95 3.59 0.00 0.98 0.04 -1.26 -4.96 135.00 139.33 1yjx s PRO 151 Ca 0.91 0.46 0.10 0.00 0.04 0.00 0.00 61.00 62.51 1yjx s PRO 151 Cb -0.29 -2.25 -0.04 0.00 0.04 0.00 0.00 34.50 31.96 1yjx s PRO 151 CO 0.34 -0.35 0.55 -1.13 0.04 0.00 0.00 177.00 176.46 1yjx n SER 152 N -2.39 0.93 0.00 6.66 3.41 -1.26 -4.98 113.62 116.00 1yjx n SER 152 Ca 0.03 -0.97 0.00 0.00 -0.26 0.00 0.00 58.87 57.67 1yjx n SER 152 Cb 0.55 0.67 0.00 0.00 -0.26 0.00 0.00 64.21 65.16 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 -0.30 -4.92 118.70 114.23 1yjx s GLU 154 Ca 0.00 -0.10 0.04 0.00 0.02 0.00 0.00 54.97 54.93 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 0.58 -1.54 0.02 0.00 0.00 175.26 174.26 1yjx s SER 155 N -0.64 5.78 0.36 -0.19 1.04 -1.26 -4.33 113.70 114.46 1yjx s SER 155 Ca -0.07 -0.08 0.07 0.00 0.48 0.00 0.00 55.95 56.34 1yjx s SER 155 Cb -0.04 -1.16 0.76 0.00 0.10 0.00 0.00 66.02 65.68 1yjx s SER 155 CO 0.01 -0.66 1.95 0.25 0.98 0.00 0.00 173.24 175.76 1yjx h LEU 156 N 0.61 0.65 0.08 2.42 5.85 -1.72 0.31 115.31 123.50 1yjx h LEU 156 Ca -0.44 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.28 1yjx h LEU 156 Cb 1.27 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.17 1yjx h LEU 156 CO 0.52 0.41 -0.04 0.50 -0.34 0.00 0.00 178.44 179.49 1yjx h LYS 157 N 0.73 -0.10 -0.20 1.25 3.64 -1.55 -1.01 116.57 119.34 1yjx h LYS 157 Ca 0.33 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.77 1yjx h LYS 157 Cb 0.34 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.12 1yjx h LYS 157 CO -0.12 -0.05 -0.22 -0.44 -2.27 0.00 0.00 179.45 176.35 1yjx h ASP 158 N -0.11 -0.71 -0.69 4.20 3.32 -1.29 0.39 116.42 121.52 1yjx h ASP 158 Ca -0.01 0.13 0.06 0.00 0.02 0.00 0.00 57.03 57.22 1yjx h ASP 158 Cb 0.09 0.33 -0.06 0.00 0.22 0.00 0.00 39.33 39.91 1yjx h ASP 158 CO 0.02 -0.27 0.39 0.74 -1.72 0.00 0.00 179.24 178.40 1yjx h THR 159 N -0.25 0.98 -0.58 0.35 2.02 -0.91 -1.97 112.91 112.54 1yjx h THR 159 Ca 0.12 -0.25 -0.09 0.00 0.77 0.00 0.00 66.41 66.96 1yjx h THR 159 Cb 0.43 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 67.01 1yjx h THR 159 CO -0.34 0.13 0.01 0.40 0.37 0.00 0.00 175.52 176.09 1yjx h ILE 160 N 0.72 1.26 -0.01 3.11 2.04 -0.43 -2.08 117.51 122.12 1yjx h ILE 160 Ca 0.31 -1.11 0.00 0.00 1.00 0.00 0.00 64.86 65.07 1yjx h ILE 160 Cb 0.18 0.79 -0.00 0.00 -0.74 0.00 0.00 36.82 37.06 1yjx h ILE 160 CO -0.18 0.40 0.01 0.00 0.00 0.00 0.00 178.15 178.38 1yjx h ALA 161 N 1.08 1.95 0.00 1.87 0.00 0.52 -1.59 119.26 123.09 1yjx h ALA 161 Ca 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1yjx h ALA 161 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1yjx h ALA 161 CO 0.03 -0.01 -1.04 2.89 0.00 0.00 0.00 179.25 181.11 1yjx n ARG 162 N -4.45 0.32 -0.06 0.00 -4.01 -1.08 -4.27 116.66 103.11 1yjx n ARG 162 Ca -0.03 -0.02 -0.09 0.00 -1.04 0.00 0.00 57.85 56.67 1yjx n ARG 162 Cb 0.10 -1.46 -0.09 0.00 -3.04 0.00 0.00 32.46 27.97 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 2.80 -0.00 -1.00 2.89 0.00 -0.92 -3.36 119.26 119.67 1yjx h ALA 163 Ca 0.00 -0.33 0.23 0.00 0.00 0.00 0.00 54.91 54.82 1yjx h ALA 163 Cb 0.52 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.22 1yjx h ALA 163 CO 0.00 -0.01 0.64 -0.07 0.00 0.00 0.00 179.25 179.81 1yjx h LEU 164 N -1.00 0.52 -0.12 0.00 -0.00 -1.51 -0.86 115.31 112.34 1yjx h LEU 164 Ca -0.00 0.08 0.04 0.00 -0.00 0.00 0.00 57.88 58.00 1yjx h LEU 164 Cb 0.66 -0.01 -0.05 0.00 -0.00 0.00 0.00 40.66 41.25 1yjx h LEU 164 CO 0.00 0.15 -0.21 -0.65 -0.00 0.00 0.00 178.44 177.73 1yjx h PRO 165 N 0.48 -0.26 -0.27 1.13 0.11 -1.74 0.57 132.00 132.02 1yjx h PRO 165 Ca 0.56 0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.68 1yjx h PRO 165 Cb 1.29 0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.44 1yjx h PRO 165 CO -0.29 -0.17 0.14 0.35 -0.21 0.00 0.00 178.00 177.81 1yjx h PHE 166 N -0.27 0.37 -0.56 0.65 3.57 -1.42 0.12 116.94 119.41 1yjx h PHE 166 Ca 0.10 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.70 1yjx h PHE 166 Cb 0.41 -0.12 -0.10 0.00 2.79 0.00 0.00 35.95 38.94 1yjx h PHE 166 CO -0.31 0.34 -0.04 2.35 -2.23 0.00 0.00 178.31 178.41 1yjx h TRP 167 N 0.30 -0.11 0.25 0.41 2.91 -0.50 0.36 115.95 119.57 1yjx h TRP 167 Ca 0.09 0.04 -0.01 0.00 1.13 0.00 0.00 58.89 60.14 1yjx h TRP 167 Cb 0.10 0.14 0.00 0.00 -0.51 0.00 0.00 29.16 28.88 1yjx h TRP 167 CO -0.03 -0.17 -0.12 -0.91 -1.03 0.00 0.00 178.44 176.18 1yjx h ASN 168 N 0.08 -0.29 -0.85 2.65 2.35 -0.62 0.29 115.58 119.19 1yjx h ASN 168 Ca 0.28 0.01 0.14 0.00 -0.55 0.00 0.00 56.30 56.18 1yjx h ASN 168 Cb 0.44 0.07 -0.09 0.00 0.05 0.00 0.00 38.32 38.80 1yjx h ASN 168 CO -0.50 -0.10 0.45 -0.33 -1.65 0.00 0.00 177.43 175.29 1yjx h GLU 169 N -0.54 0.63 0.00 0.81 4.39 -0.60 -3.26 114.58 116.01 1yjx h GLU 169 Ca -0.03 -0.04 -0.28 0.00 0.34 0.00 0.00 59.36 59.34 1yjx h GLU 169 Cb 0.26 -0.14 -0.05 0.00 -0.10 0.00 0.00 28.75 28.72 1yjx h GLU 169 CO 0.06 0.42 -2.01 0.39 -1.16 0.00 0.00 179.01 176.70 1yjx n GLU 170 N -4.85 0.42 -0.05 2.33 -0.58 0.12 -4.67 120.64 113.37 1yjx n GLU 170 Ca 0.17 0.13 -0.06 0.00 -0.42 0.00 0.00 57.16 56.98 1yjx n GLU 170 Cb 0.42 -1.27 -0.05 0.00 -0.57 0.00 0.00 31.44 29.97 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 -0.29 0.72 -0.77 -3.67 2.04 -1.16 -3.34 117.51 111.04 1yjx h ILE 171 Ca -0.42 -1.50 0.14 0.00 1.00 0.00 0.00 64.86 64.08 1yjx h ILE 171 Cb 1.52 1.36 -0.14 0.00 -0.74 0.00 0.00 36.82 38.81 1yjx h ILE 171 CO -0.16 0.24 -0.28 0.58 0.00 0.00 0.00 178.15 178.53 1yjx h VAL 172 N -0.99 0.15 -0.62 1.67 2.07 -0.47 -0.12 116.25 117.95 1yjx h VAL 172 Ca -0.00 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.64 1yjx h VAL 172 Cb 0.41 0.15 -0.11 0.00 -1.52 0.00 0.00 31.29 30.22 1yjx h VAL 172 CO 0.00 0.00 -0.11 -0.65 0.02 0.00 0.00 177.57 176.84 1yjx h PRO 173 N -0.05 0.03 -0.20 1.57 0.11 -1.73 0.45 132.00 132.18 1yjx h PRO 173 Ca 0.33 -0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.47 1yjx h PRO 173 Cb 0.58 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 31.65 1yjx h PRO 173 CO -0.81 0.02 -0.00 1.96 -0.21 0.00 0.00 178.00 178.95 1yjx h GLN 174 N 0.03 0.06 -0.65 1.05 1.08 -1.16 -1.03 115.11 114.48 1yjx h GLN 174 Ca 0.31 -0.00 0.04 0.00 -1.45 0.00 0.00 58.65 57.54 1yjx h GLN 174 Cb 0.48 -0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 27.85 1yjx h GLN 174 CO -0.60 0.04 0.38 0.82 -0.95 0.00 0.00 178.83 178.52 1yjx h ILE 175 N 0.06 1.03 0.00 2.54 2.04 -0.48 -1.02 117.51 121.68 1yjx h ILE 175 Ca 0.09 -0.25 -0.03 0.00 1.00 0.00 0.00 64.86 65.67 1yjx h ILE 175 Cb 0.12 0.23 -0.00 0.00 -0.74 0.00 0.00 36.82 36.42 1yjx h ILE 175 CO -0.16 0.13 -0.16 0.11 0.00 0.00 0.00 178.15 178.07 1yjx h LYS 176 N 0.74 0.00 -0.96 2.37 1.57 -0.41 0.95 116.57 120.82 1yjx h LYS 176 Ca 0.28 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.05 1yjx h LYS 176 Cb 0.10 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 1yjx h LYS 176 CO -0.14 0.16 0.01 -1.91 -0.57 0.00 0.00 179.45 177.00 1yjx n GLU 177 N -4.24 1.40 -1.01 3.15 2.13 -0.44 -4.80 120.64 116.83 1yjx n GLU 177 Ca -0.02 -0.36 -0.00 0.00 0.66 0.00 0.00 57.16 57.43 1yjx n GLU 177 Cb 0.23 -1.51 -0.00 0.00 0.27 0.00 0.00 31.44 30.43 1yjx n GLU 177 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1yjx n GLY 178 N 0.11 0.21 3.71 8.31 0.00 0.33 -4.95 105.19 112.91 1yjx n GLY 178 Ca 0.04 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1yjx n GLY 178 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yjx s LYS 179 N -1.39 4.38 -0.51 1.61 -0.14 -0.55 -4.96 119.74 118.19 1yjx s LYS 179 Ca 0.00 1.87 -0.28 0.00 -1.36 0.00 0.00 55.97 56.20 1yjx s LYS 179 Cb 0.00 -3.36 0.03 0.00 -1.68 0.00 0.00 37.83 32.82 1yjx s LYS 179 CO 0.00 -0.35 1.12 1.03 -0.76 0.00 0.00 175.35 176.39 1yjx s ARG 180 N 1.28 3.63 0.14 1.68 3.00 -1.26 -4.21 118.95 123.22 1yjx s ARG 180 Ca 0.61 0.40 -0.13 0.00 0.00 0.00 0.00 55.73 56.60 1yjx s ARG 180 Cb -0.31 -3.94 -0.07 0.00 0.00 0.00 0.00 34.95 30.62 1yjx s ARG 180 CO 0.29 -1.45 0.53 0.08 0.00 0.00 0.00 175.30 174.75 1yjx s VAL 181 N 4.49 4.89 -0.11 3.52 1.01 -1.25 -0.76 120.40 132.18 1yjx s VAL 181 Ca 0.45 0.76 0.00 0.00 0.00 0.00 0.00 61.98 63.19 1yjx s VAL 181 Cb -0.08 -3.72 0.02 0.00 0.00 0.00 0.00 36.38 32.61 1yjx s VAL 181 CO 0.29 0.23 -0.11 -0.22 0.00 0.00 0.00 175.10 175.29 1yjx s LEU 182 N -2.01 1.42 -0.22 3.92 2.96 -0.97 -2.22 118.68 121.56 1yjx s LEU 182 Ca 0.38 -0.35 -0.01 0.00 -0.22 0.00 0.00 54.13 53.92 1yjx s LEU 182 Cb -0.15 -0.94 0.01 0.00 0.50 0.00 0.00 46.19 45.62 1yjx s LEU 182 CO 0.19 -0.07 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.42 1yjx s ILE 183 N 1.42 2.75 -0.36 6.68 1.01 -0.09 -1.05 121.20 131.57 1yjx s ILE 183 Ca 0.01 -0.83 -0.07 0.00 0.00 0.00 0.00 60.65 59.76 1yjx s ILE 183 Cb -0.13 -2.28 0.05 0.00 0.01 0.00 0.00 42.46 40.11 1yjx s ILE 183 CO -0.06 0.38 0.13 0.00 0.00 0.00 0.00 174.94 175.40 1yjx s ALA 184 N 1.36 3.09 0.00 9.38 0.00 -0.09 -0.83 121.76 134.67 1yjx s ALA 184 Ca 0.03 -1.85 0.00 0.00 0.00 0.00 0.00 51.96 50.14 1yjx s ALA 184 Cb -0.15 -2.34 0.00 0.00 0.00 0.00 0.00 23.12 20.63 1yjx s ALA 184 CO -0.07 -1.41 0.00 0.00 0.00 0.00 0.00 175.76 174.28 1yjx n ALA 185 N 4.82 0.00 -2.50 0.00 0.00 -0.68 -3.65 120.51 118.49 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 19.81 1yjx n ALA 185 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1yjx s HIS 186 N 1.07 2.60 0.12 0.00 3.76 -1.26 -2.38 115.29 119.21 1yjx s HIS 186 Ca 0.00 -0.48 -0.33 0.00 -0.15 0.00 0.00 55.06 54.10 1yjx s HIS 186 Cb 0.00 -1.68 -0.11 0.00 1.11 0.00 0.00 32.58 31.90 1yjx s HIS 186 CO 0.00 0.36 1.55 0.78 -0.85 0.00 0.00 174.74 176.58 1yjx h GLY 187 N 1.63 -1.02 1.25 -2.22 0.00 -1.95 0.18 103.07 100.94 1yjx h GLY 187 Ca -0.43 0.68 -0.14 0.00 0.00 0.00 0.00 47.33 47.44 1yjx h GLY 187 CO 0.67 -0.17 -0.35 3.43 0.00 0.00 0.00 176.54 180.12 1yjx h ASN 188 N -0.51 0.87 -0.47 0.19 2.35 -1.97 -0.87 115.58 115.18 1yjx h ASN 188 Ca 0.05 -0.38 -0.11 0.00 -0.55 0.00 0.00 56.30 55.31 1yjx h ASN 188 Cb 0.65 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.76 1yjx h ASN 188 CO -0.50 1.13 -0.14 0.77 -1.65 0.00 0.00 177.43 177.05 1yjx h SER 189 N 0.69 0.93 -0.42 5.81 4.64 -1.72 -2.39 113.55 121.10 1yjx h SER 189 Ca 0.07 -0.37 -0.04 0.00 -0.47 0.00 0.00 61.79 60.97 1yjx h SER 189 Cb 0.91 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 62.72 1yjx h SER 189 CO 0.08 1.09 0.12 -0.07 -0.87 0.00 0.00 176.83 177.19 1yjx h LEU 190 N 0.77 0.67 -0.87 5.97 3.38 -0.88 -1.56 115.31 122.79 1yjx h LEU 190 Ca 0.12 -0.11 0.08 0.00 0.09 0.00 0.00 57.88 58.06 1yjx h LEU 190 Cb 0.70 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 41.21 1yjx h LEU 190 CO 0.05 0.66 0.52 0.03 0.09 0.00 0.00 178.44 179.80 1yjx h ARG 191 N 0.71 0.89 -0.27 1.13 3.08 -0.71 -0.38 114.38 118.82 1yjx h ARG 191 Ca 0.16 -0.05 0.06 0.00 0.07 0.00 0.00 59.98 60.21 1yjx h ARG 191 Cb 0.26 -0.20 -0.05 0.00 0.08 0.00 0.00 29.97 30.05 1yjx h ARG 191 CO -0.00 0.59 -0.09 0.78 -1.07 0.00 0.00 179.97 180.17 1yjx h GLY 192 N 0.91 0.16 1.00 0.04 0.00 -0.80 0.47 103.07 104.85 1yjx h GLY 192 Ca 0.40 0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.83 1yjx h GLY 192 CO -0.21 -0.12 -0.09 -2.22 0.00 0.00 0.00 176.54 173.90 1yjx h ILE 193 N -0.04 0.81 -0.15 2.60 5.03 -1.15 -1.95 117.51 122.67 1yjx h ILE 193 Ca 0.13 -0.01 0.04 0.00 -0.12 0.00 0.00 64.86 64.90 1yjx h ILE 193 Cb 0.24 0.82 -0.04 0.00 -3.03 0.00 0.00 36.82 34.80 1yjx h ILE 193 CO -0.30 0.00 -0.11 0.58 -0.68 0.00 0.00 178.15 177.65 1yjx h VAL 194 N -0.27 0.68 -0.90 1.67 2.07 -0.57 0.94 116.25 119.87 1yjx h VAL 194 Ca -0.03 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.62 1yjx h VAL 194 Cb 0.20 0.68 -0.08 0.00 -1.52 0.00 0.00 31.29 30.57 1yjx h VAL 194 CO 0.04 0.00 0.52 0.50 0.02 0.00 0.00 177.57 178.66 1yjx h LYS 195 N -0.12 0.79 -0.07 1.57 3.64 0.04 0.12 116.57 122.54 1yjx h LYS 195 Ca 0.09 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 1yjx h LYS 195 Cb 0.25 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1yjx h LYS 195 CO -0.22 0.52 -0.01 1.25 -2.27 0.00 0.00 179.45 178.72 1yjx h HIS 196 N 0.81 0.14 -0.12 1.91 2.76 -0.56 0.23 115.15 120.33 1yjx h HIS 196 Ca 0.46 -0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.60 1yjx h HIS 196 Cb 0.52 -0.03 -0.01 0.00 1.55 0.00 0.00 27.41 29.44 1yjx h HIS 196 CO -0.05 0.45 0.08 -0.07 -1.30 0.00 0.00 177.93 177.04 1yjx h LEU 197 N -0.21 0.14 -0.57 0.26 3.38 -0.29 -3.02 115.31 115.00 1yjx h LEU 197 Ca 0.02 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1yjx h LEU 197 Cb 0.40 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1yjx h LEU 197 CO 0.01 0.12 -0.17 -0.62 0.09 0.00 0.00 178.44 177.87 1yjx n GLU 198 N -5.00 1.03 -3.86 1.13 1.02 -0.02 -4.34 120.64 110.61 1yjx n GLU 198 Ca -0.05 -0.57 -0.28 0.00 -0.02 0.00 0.00 57.16 56.24 1yjx n GLU 198 Cb 0.04 -1.49 0.03 0.00 -0.02 0.00 0.00 31.44 30.00 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 1.28 -0.46 3.81 0.62 0.00 0.76 -4.94 105.19 106.26 1yjx n GLY 199 Ca 0.14 0.19 -0.33 0.00 0.00 0.00 0.00 46.02 46.02 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 -7.18 3.55 0.84 0.99 1.43 -0.90 -5.04 118.68 112.37 1yjx s LEU 200 Ca 0.54 1.81 -0.12 0.00 -1.03 0.00 0.00 54.13 55.33 1yjx s LEU 200 Cb -0.27 -4.53 0.09 0.00 0.03 0.00 0.00 46.19 41.51 1yjx s LEU 200 CO 0.82 -1.07 1.12 -0.94 0.23 0.00 0.00 176.35 176.51 1yjx s SER 201 N -2.72 4.14 0.18 2.29 1.04 -1.26 -4.85 113.70 112.52 1yjx s SER 201 Ca 0.64 1.15 -0.12 0.00 0.48 0.00 0.00 55.95 58.10 1yjx s SER 201 Cb -0.16 -1.82 0.09 0.00 0.10 0.00 0.00 66.02 64.24 1yjx s SER 201 CO 0.34 -2.17 1.77 -0.33 0.98 0.00 0.00 173.24 173.83 1yjx h GLU 202 N -1.23 0.90 0.37 4.02 5.08 -1.99 -2.20 114.58 119.52 1yjx h GLU 202 Ca -0.48 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 57.75 1yjx h GLU 202 Cb 1.29 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 30.35 1yjx h GLU 202 CO 0.61 0.71 -0.43 1.49 -1.00 0.00 0.00 179.01 180.39 1yjx h GLU 203 N 0.86 -0.80 -0.37 2.33 4.81 -1.99 -2.47 114.58 116.95 1yjx h GLU 203 Ca 0.22 0.05 0.08 0.00 -0.13 0.00 0.00 59.36 59.58 1yjx h GLU 203 Cb 0.11 0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 1yjx h GLU 203 CO -0.03 -0.53 0.26 0.00 -0.73 0.00 0.00 179.01 177.98 1yjx h ALA 204 N -0.49 2.15 0.00 2.92 0.00 -1.89 -1.13 119.26 120.82 1yjx h ALA 204 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1yjx h ALA 204 Cb 0.75 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1yjx h ALA 204 CO -0.10 -0.24 0.00 0.97 0.00 0.00 0.00 179.25 179.88 1yjx h ILE 205 N 0.15 0.00 0.00 0.00 6.09 -1.19 -2.06 117.51 120.50 1yjx h ILE 205 Ca 0.17 -0.96 0.00 0.00 -1.37 0.00 0.00 64.86 62.70 1yjx h ILE 205 Cb 0.48 1.96 0.00 0.00 0.47 0.00 0.00 36.82 39.73 1yjx h ILE 205 CO -0.02 0.00 -0.12 0.24 -3.07 0.00 0.00 178.15 175.18 1yjx h MET 206 N 0.00 0.00 0.00 2.19 2.86 -0.74 -3.20 114.93 116.04 1yjx h MET 206 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1yjx h MET 206 Cb 0.97 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.63 1yjx h MET 206 CO 0.00 0.00 -1.65 0.39 1.06 0.00 0.00 176.91 176.71 1yjx n GLU 207 N -2.32 0.66 -2.33 1.72 1.02 -1.13 -4.93 120.64 113.34 1yjx n GLU 207 Ca 0.05 -0.14 -0.42 0.00 -0.02 0.00 0.00 57.16 56.63 1yjx n GLU 207 Cb 0.44 -1.42 -0.03 0.00 -0.02 0.00 0.00 31.44 30.42 1yjx n GLU 207 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1yjx s LEU 208 N -4.00 4.37 -0.29 -4.62 2.96 -0.79 -5.00 118.68 111.31 1yjx s LEU 208 Ca -0.04 2.12 -0.01 0.00 -0.22 0.00 0.00 54.13 55.98 1yjx s LEU 208 Cb 0.12 -3.58 0.09 0.00 0.50 0.00 0.00 46.19 43.32 1yjx s LEU 208 CO 0.76 -0.54 0.07 0.20 -1.32 0.00 0.00 176.35 175.51 1yjx s ASN 209 N 1.11 3.88 0.38 3.68 -0.87 -1.26 -4.96 114.94 116.91 1yjx s ASN 209 Ca 0.61 -1.49 -0.27 0.00 -1.57 0.00 0.00 52.86 50.13 1yjx s ASN 209 Cb -0.32 -0.91 -0.10 0.00 -0.02 0.00 0.00 41.25 39.91 1yjx s ASN 209 CO 0.29 -0.38 1.37 -0.76 -2.57 0.00 0.00 177.10 175.06 1yjx s LEU 210 N 1.58 4.29 0.65 0.60 1.43 -1.26 -4.98 118.68 121.00 1yjx s LEU 210 Ca 0.06 2.81 -0.16 0.00 -1.03 0.00 0.00 54.13 55.82 1yjx s LEU 210 Cb -0.17 -3.77 -0.00 0.00 0.03 0.00 0.00 46.19 42.27 1yjx s LEU 210 CO -0.19 -0.82 1.15 -2.84 0.23 0.00 0.00 176.35 173.88 1yjx s PRO 211 N -2.11 2.72 0.05 1.29 0.02 -1.26 -5.02 135.00 130.70 1yjx s PRO 211 Ca 0.54 1.56 -0.04 0.00 0.02 0.00 0.00 61.00 63.08 1yjx s PRO 211 Cb -0.42 -1.93 -0.05 0.00 0.02 0.00 0.00 34.50 32.13 1yjx s PRO 211 CO 0.55 -1.34 0.28 0.95 -0.33 0.00 0.00 177.00 177.11 1yjx s THR 212 N -2.09 5.29 0.00 0.99 -4.23 -1.26 -4.32 115.64 110.02 1yjx s THR 212 Ca 0.71 -0.01 0.00 0.00 -1.18 0.00 0.00 61.69 61.21 1yjx s THR 212 Cb -0.24 -3.59 0.00 0.00 1.34 0.00 0.00 72.50 70.00 1yjx s THR 212 CO 0.39 0.23 0.00 0.61 -0.54 0.00 0.00 174.62 175.31 1yjx n GLY 213 N 0.66 0.61 3.69 3.99 0.00 0.14 -4.89 105.19 109.40 1yjx n GLY 213 Ca -0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.87 5.33 0.07 -0.61 1.01 -1.26 -3.70 121.20 120.17 1yjx s ILE 214 Ca 0.00 0.16 -0.30 0.00 0.00 0.00 0.00 60.65 60.51 1yjx s ILE 214 Cb 0.00 -3.45 -0.09 0.00 0.01 0.00 0.00 42.46 38.93 1yjx s ILE 214 CO 0.00 0.41 1.83 -2.84 0.00 0.00 0.00 174.94 174.34 1yjx s PRO 215 N 0.62 4.15 -0.29 2.79 0.02 -1.26 -4.52 135.00 136.51 1yjx s PRO 215 Ca 0.07 2.52 -0.10 0.00 0.02 0.00 0.00 61.00 63.52 1yjx s PRO 215 Cb -0.12 -3.83 -0.03 0.00 0.02 0.00 0.00 34.50 30.55 1yjx s PRO 215 CO 0.00 -0.86 0.15 0.42 -0.33 0.00 0.00 177.00 176.38 1yjx s ILE 216 N 3.44 4.78 -0.18 2.83 1.01 0.23 -2.26 121.20 131.04 1yjx s ILE 216 Ca 0.82 -0.15 -0.07 0.00 0.00 0.00 0.00 60.65 61.24 1yjx s ILE 216 Cb -0.43 -3.33 -0.04 0.00 0.01 0.00 0.00 42.46 38.67 1yjx s ILE 216 CO 0.37 0.20 0.05 -0.69 0.00 0.00 0.00 174.94 174.87 1yjx s VAL 217 N 1.67 4.65 -0.01 2.92 1.01 -0.45 0.39 120.40 130.58 1yjx s VAL 217 Ca 0.06 -0.08 0.07 0.00 0.00 0.00 0.00 61.98 62.03 1yjx s VAL 217 Cb -0.16 -3.10 -0.02 0.00 0.00 0.00 0.00 36.38 33.10 1yjx s VAL 217 CO 0.07 0.45 -0.23 -0.31 0.00 0.00 0.00 175.10 175.09 1yjx s TYR 218 N 0.47 2.44 -0.27 5.22 1.51 0.12 -2.36 117.35 124.47 1yjx s TYR 218 Ca 0.02 -0.35 -0.00 0.00 -1.01 0.00 0.00 57.07 55.73 1yjx s TYR 218 Cb -0.13 -1.51 0.05 0.00 -0.11 0.00 0.00 41.96 40.26 1yjx s TYR 218 CO 0.01 0.07 -0.05 -1.21 -1.11 0.00 0.00 175.55 173.26 1yjx s GLU 219 N -0.83 2.47 0.06 -0.62 2.02 -1.26 -0.76 118.70 119.78 1yjx s GLU 219 Ca 0.11 -1.22 0.02 0.00 0.02 0.00 0.00 54.97 53.90 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 -0.55 0.09 -0.51 0.02 0.00 0.00 175.26 174.31 1yjx s LEU 220 N 1.23 3.85 0.00 1.80 1.43 -0.59 -1.32 118.68 125.08 1yjx s LEU 220 Ca -0.05 0.05 -0.06 0.00 -1.03 0.00 0.00 54.13 53.04 1yjx s LEU 220 Cb -0.19 -2.45 0.15 0.00 0.03 0.00 0.00 46.19 43.73 1yjx s LEU 220 CO -0.03 0.20 0.97 -0.90 0.23 0.00 0.00 176.35 176.82 1yjx n ASP 221 N 0.65 0.73 0.12 2.29 5.68 -0.38 -1.89 116.55 123.76 1yjx n ASP 221 Ca -0.10 -1.75 0.04 0.00 -0.50 0.00 0.00 54.79 52.49 1yjx n ASP 221 Cb 0.52 -0.68 0.22 0.00 -1.14 0.00 0.00 41.12 40.04 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 -2.91 0.06 -0.82 0.11 -0.00 -1.26 -0.51 118.16 112.83 1yjx n LYS 222 Ca 0.14 0.47 -0.02 0.00 -0.00 0.00 0.00 58.31 58.90 1yjx n LYS 222 Cb 0.50 -2.04 0.19 0.00 -0.00 0.00 0.00 35.03 33.68 1yjx n LYS 222 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1yjx n ASN 223 N -1.81 2.39 -3.85 -5.58 3.02 -1.26 -4.98 115.26 103.20 1yjx n ASN 223 Ca -0.01 -3.84 -0.38 0.00 -0.03 0.00 0.00 54.58 50.32 1yjx n ASN 223 Cb 0.36 -0.58 0.03 0.00 -0.61 0.00 0.00 39.78 38.99 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 -1.10 -1.75 -3.82 3.41 4.77 0.34 -4.97 117.00 113.88 1yjx n LEU 224 Ca 0.29 -1.13 -0.20 0.00 -0.03 0.00 0.00 56.01 54.94 1yjx n LEU 224 Cb 0.89 -2.06 -0.17 0.00 -2.33 0.00 0.00 43.42 39.75 1yjx n LEU 224 CO 0.12 0.60 -0.38 -0.54 -1.33 0.00 0.00 177.39 175.86 1yjx s LYS 225 N -6.55 0.51 0.71 3.23 -0.14 -1.25 -4.86 119.74 111.38 1yjx s LYS 225 Ca 0.47 0.06 -0.17 0.00 -1.36 0.00 0.00 55.97 54.97 1yjx s LYS 225 Cb -0.21 -0.72 -0.09 0.00 -1.68 0.00 0.00 37.83 35.14 1yjx s LYS 225 CO 0.91 -0.18 0.12 -2.30 -0.76 0.00 0.00 175.35 173.14 1yjx n PRO 226 N 4.47 0.16 -0.04 -1.68 -0.02 -1.26 -1.25 135.00 135.38 1yjx n PRO 226 Ca -0.19 0.08 0.01 0.00 -2.02 0.00 0.00 63.50 61.38 1yjx n PRO 226 Cb 0.50 -1.46 0.01 0.00 -0.02 0.00 0.00 33.50 32.54 1yjx n PRO 226 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1yjx n ILE 227 N -2.17 0.65 0.00 4.25 5.41 -0.43 -4.73 119.36 122.34 1yjx n ILE 227 Ca 0.07 -0.69 0.00 0.00 1.00 0.00 0.00 62.75 63.14 1yjx n ILE 227 Cb 0.50 0.61 0.00 0.00 -0.71 0.00 0.00 39.64 40.04 1yjx n ILE 227 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1yjx n LYS 228 N -0.37 0.00 -1.23 0.38 5.02 -1.26 -5.07 118.16 115.63 1yjx n LYS 228 Ca 0.02 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.98 1yjx n LYS 228 Cb 0.41 0.00 0.11 0.00 -0.02 0.00 0.00 35.03 35.53 1yjx n LYS 228 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1yjx s PRO 229 N -2.00 1.94 0.35 1.97 0.04 -1.26 -4.80 135.00 131.24 1yjx s PRO 229 Ca 0.00 1.52 -0.29 0.00 0.04 0.00 0.00 61.00 62.27 1yjx s PRO 229 Cb 0.00 -1.83 -0.11 0.00 0.04 0.00 0.00 34.50 32.60 1yjx s PRO 229 CO 0.00 -1.94 1.51 0.00 0.04 0.00 0.00 177.00 176.61 1yjx s MET 230 N -4.37 4.13 0.28 4.56 0.23 -1.26 -4.95 119.30 117.92 1yjx s MET 230 Ca 0.68 2.55 0.08 0.00 -1.03 0.00 0.00 55.69 57.98 1yjx s MET 230 Cb -0.23 -2.99 -0.04 0.00 -1.53 0.00 0.00 34.83 30.04 1yjx s MET 230 CO 0.51 -0.54 0.11 -0.65 -2.03 0.00 0.00 175.02 172.42 1yjx s GLN 231 N -1.61 2.55 -0.03 3.16 -0.21 -1.00 -4.94 119.66 117.58 1yjx s GLN 231 Ca 0.56 -1.31 0.06 0.00 0.02 0.00 0.00 55.36 54.69 1yjx s GLN 231 Cb -0.46 -2.32 -0.02 0.00 1.00 0.00 0.00 33.01 31.20 1yjx s GLN 231 CO 0.58 0.30 -0.22 -0.06 -2.12 0.00 0.00 175.29 173.78 1yjx s PHE 232 N -2.28 2.47 -0.25 0.91 2.99 -1.26 -1.33 117.98 119.22 1yjx s PHE 232 Ca 0.34 -0.33 -0.16 0.00 0.00 0.00 0.00 56.93 56.77 1yjx s PHE 232 Cb -0.06 -1.54 -0.03 0.00 0.00 0.00 0.00 43.02 41.38 1yjx s PHE 232 CO 0.23 0.05 0.43 -0.51 -0.00 0.00 0.00 175.22 175.42 1yjx s LEU 233 N -0.69 4.07 0.00 -0.37 1.43 -0.96 -4.91 118.68 117.25 1yjx s LEU 233 Ca 0.11 0.42 0.00 0.00 -1.03 0.00 0.00 54.13 53.63 1yjx s LEU 233 Cb -0.10 -2.53 0.00 0.00 0.03 0.00 0.00 46.19 43.59 1yjx s LEU 233 CO -0.00 -0.20 0.00 0.61 0.23 0.00 0.00 176.35 176.99 1yjx n GLY 234 N 4.42 1.40 3.70 -3.19 0.00 -1.26 -4.39 105.19 105.88 1yjx n GLY 234 Ca -0.07 -0.88 -0.31 0.00 0.00 0.00 0.00 46.02 44.76 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 3.48 0.20 1.61 1.47 -1.26 -4.38 116.67 117.79 1yjx s ASP 235 Ca 0.00 1.96 -0.16 0.00 1.18 0.00 0.00 52.55 55.53 1yjx s ASP 235 Cb 0.00 -2.51 0.21 0.00 -0.34 0.00 0.00 42.92 40.28 1yjx s ASP 235 CO 0.00 -2.71 1.38 -1.84 0.68 0.00 0.00 175.17 172.68 1yjx n GLU 236 N -3.97 -0.21 0.22 2.11 -0.00 -1.26 -0.57 120.64 116.96 1yjx n GLU 236 Ca 0.10 1.37 -0.14 0.00 -0.00 0.00 0.00 57.16 58.49 1yjx n GLU 236 Cb 0.53 -2.04 -0.07 0.00 -0.00 0.00 0.00 31.44 29.86 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 -0.73 0.25 3.44 -0.00 -1.99 -2.20 114.58 113.34 1yjx h GLU 237 Ca 0.31 0.05 -0.01 0.00 -0.00 0.00 0.00 59.36 59.70 1yjx h GLU 237 Cb 0.53 0.17 0.00 0.00 -0.00 0.00 0.00 28.75 29.45 1yjx h GLU 237 CO -0.88 -0.49 -0.12 1.15 -0.00 0.00 0.00 179.01 178.67 1yjx h THR 238 N -0.76 0.78 -0.50 -1.06 2.02 -1.78 -1.74 112.91 109.87 1yjx h THR 238 Ca -0.05 -0.17 0.15 0.00 0.77 0.00 0.00 66.41 67.10 1yjx h THR 238 Cb 0.66 0.88 -0.02 0.00 -1.74 0.00 0.00 68.15 67.93 1yjx h THR 238 CO -0.05 0.04 0.52 1.62 0.37 0.00 0.00 175.52 178.02 1yjx h VAL 239 N -0.43 0.37 0.03 3.16 3.04 -0.88 -1.15 116.25 120.40 1yjx h VAL 239 Ca -0.03 0.00 -0.33 0.00 -1.01 0.00 0.00 66.70 65.32 1yjx h VAL 239 Cb 0.32 0.60 -0.05 0.00 -2.01 0.00 0.00 31.29 30.15 1yjx h VAL 239 CO 0.06 0.00 -1.97 0.54 -1.01 0.00 0.00 177.57 175.19 1yjx n ARG 240 N -3.75 0.68 0.06 4.17 3.00 -0.83 -3.91 116.66 116.07 1yjx n ARG 240 Ca 0.10 0.22 0.02 0.00 -0.01 0.00 0.00 57.85 58.18 1yjx n ARG 240 Cb 0.72 -1.70 0.37 0.00 0.00 0.00 0.00 32.46 31.84 1yjx n ARG 240 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.63 179.20 1yjx h LYS 241 N 0.02 0.40 0.00 5.56 2.10 -0.30 -0.73 116.57 123.62 1yjx h LYS 241 Ca -0.39 -0.07 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 1yjx h LYS 241 Cb 2.05 -0.06 0.00 0.00 -0.90 0.00 0.00 32.23 33.31 1yjx h LYS 241 CO 0.06 0.43 0.00 0.00 -2.00 0.00 0.00 179.45 177.94 1yjx h ALA 242 N 1.61 1.00 -1.99 0.07 0.00 -1.64 -3.36 119.26 114.96 1yjx h ALA 242 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1yjx h ALA 242 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1yjx h ALA 242 CO 0.01 0.00 0.00 -1.33 0.00 0.00 0.00 179.25 177.93 1yjx n MET 243 N -2.49 0.00 0.00 0.00 2.81 -0.32 -4.90 117.12 112.23 1yjx n MET 243 Ca 0.05 0.17 0.06 0.00 -1.81 0.00 0.00 57.70 56.17 1yjx n MET 243 Cb 0.43 -0.78 0.38 0.00 -0.71 0.00 0.00 33.22 32.54 1yjx n MET 243 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87