#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yjx s LYS 5 N 0.00 2.33 -0.10 -0.72 1.02 -1.26 -0.89 119.74 120.12 1yjx s LYS 5 Ca 0.00 -0.84 -0.00 0.00 0.02 0.00 0.00 55.97 55.15 1yjx s LYS 5 Cb 0.00 -2.44 -0.02 0.00 -0.52 0.00 0.00 37.83 34.85 1yjx s LYS 5 CO 0.00 -0.35 -0.09 -1.17 -0.92 0.00 0.00 175.35 172.82 1yjx s LEU 6 N 1.36 3.00 -0.10 3.17 0.20 0.40 -4.34 118.68 122.36 1yjx s LEU 6 Ca 0.01 -0.16 0.03 0.00 0.69 0.00 0.00 54.13 54.70 1yjx s LEU 6 Cb -0.15 -1.67 0.00 0.00 -0.43 0.00 0.00 46.19 43.94 1yjx s LEU 6 CO -0.09 0.26 -0.21 -0.69 -0.29 0.00 0.00 176.35 175.32 1yjx s VAL 7 N -0.18 1.86 0.13 1.68 1.01 -1.09 0.28 120.40 124.09 1yjx s VAL 7 Ca 0.02 -0.89 0.08 0.00 0.00 0.00 0.00 61.98 61.19 1yjx s VAL 7 Cb -0.13 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 1yjx s VAL 7 CO 0.03 0.51 -0.14 -0.76 0.00 0.00 0.00 175.10 174.75 1yjx s LEU 8 N 0.52 2.86 -0.16 3.92 1.43 0.16 -1.34 118.68 126.07 1yjx s LEU 8 Ca -0.16 -0.51 -0.07 0.00 -1.03 0.00 0.00 54.13 52.36 1yjx s LEU 8 Cb -0.17 -1.65 0.07 0.00 0.03 0.00 0.00 46.19 44.47 1yjx s LEU 8 CO 0.06 0.16 0.36 -0.51 0.23 0.00 0.00 176.35 176.65 1yjx s ILE 9 N -1.29 -0.38 -0.15 -0.59 2.07 -0.20 0.68 121.20 121.34 1yjx s ILE 9 Ca 0.21 0.18 -0.19 0.00 -1.41 0.00 0.00 60.65 59.44 1yjx s ILE 9 Cb -0.10 -0.56 -0.04 0.00 0.13 0.00 0.00 42.46 41.89 1yjx s ILE 9 CO 0.12 0.07 0.51 -0.60 -1.91 0.00 0.00 174.94 173.14 1yjx s ARG 10 N 2.14 4.28 0.75 3.50 3.52 -1.26 -1.59 118.95 130.29 1yjx s ARG 10 Ca -0.04 0.46 -0.15 0.00 -0.13 0.00 0.00 55.73 55.88 1yjx s ARG 10 Cb -0.11 -3.49 0.02 0.00 -1.56 0.00 0.00 34.95 29.81 1yjx s ARG 10 CO -0.11 0.02 1.00 -2.39 -0.81 0.00 0.00 175.30 173.00 1yjx n HIS 11 N 4.16 0.72 -0.89 5.12 1.44 -0.90 0.86 115.22 125.73 1yjx n HIS 11 Ca -0.06 0.39 0.00 0.00 -2.01 0.00 0.00 57.72 56.04 1yjx n HIS 11 Cb 0.51 -2.08 0.00 0.00 0.12 0.00 0.00 29.99 28.54 1yjx n HIS 11 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1yjx n GLY 12 N 1.00 -0.10 3.61 -1.39 0.00 -1.26 -4.29 105.19 102.75 1yjx n GLY 12 Ca 0.13 -1.76 -0.49 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 -0.34 1.40 -3.58 1.61 2.13 -1.26 -4.86 120.64 115.74 1yjx n GLU 13 Ca 0.00 0.50 -0.21 0.00 0.66 0.00 0.00 57.16 58.11 1yjx n GLU 13 Cb 0.00 -2.09 -0.03 0.00 0.27 0.00 0.00 31.44 29.58 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 0.28 5.09 0.28 4.31 1.04 -1.26 -0.65 113.70 122.79 1yjx s SER 14 Ca 0.76 -0.71 -0.01 0.00 0.48 0.00 0.00 55.95 56.47 1yjx s SER 14 Cb -0.83 -0.62 0.47 0.00 0.10 0.00 0.00 66.02 65.13 1yjx s SER 14 CO 0.49 -0.62 1.89 0.00 0.98 0.00 0.00 173.24 175.98 1yjx h ALA 15 N 1.05 1.45 0.00 5.32 0.00 -0.66 0.35 119.26 126.76 1yjx h ALA 15 Ca -0.42 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 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 0.57 0.40 -0.12 -1.49 0.00 0.00 0.00 179.25 178.61 1yjx h TRP 16 N 1.11 0.00 -0.08 0.00 4.06 -1.92 -2.97 115.95 116.15 1yjx h TRP 16 Ca 0.42 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 61.37 1yjx h TRP 16 Cb 0.20 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.35 1yjx h TRP 16 CO -0.00 0.12 0.04 -0.91 -3.56 0.00 0.00 178.44 174.13 1yjx h ASN 17 N 0.00 0.11 0.34 -3.49 2.35 -1.19 -0.47 115.58 113.23 1yjx h ASN 17 Ca -0.00 -0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.62 1yjx h ASN 17 Cb 0.91 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.26 1yjx h ASN 17 CO 0.02 0.21 -0.00 0.00 -1.65 0.00 0.00 177.43 176.00 1yjx n LEU 18 N -4.96 0.02 -0.54 1.61 -0.00 -1.10 -1.26 117.00 110.77 1yjx n LEU 18 Ca -0.06 0.16 0.13 0.00 -0.00 0.00 0.00 56.01 56.24 1yjx n LEU 18 Cb 0.09 -0.17 0.25 0.00 -0.00 0.00 0.00 43.42 43.60 1yjx n LEU 18 CO 0.34 0.00 0.62 -0.62 -0.00 0.00 0.00 177.39 177.73 1yjx n GLU 19 N -1.15 1.50 -3.60 1.47 1.02 -0.80 -4.96 120.64 114.13 1yjx n GLU 19 Ca 0.18 -1.09 -0.21 0.00 -0.02 0.00 0.00 57.16 56.03 1yjx n GLU 19 Cb 0.19 -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 0.20 -2.31 -4.47 1.62 4.05 -0.35 -4.93 115.26 109.07 1yjx n ASN 20 Ca 0.14 -0.71 -0.26 0.00 0.45 0.00 0.00 54.58 54.20 1yjx n ASN 20 Cb 0.44 -4.57 -0.11 0.00 1.23 0.00 0.00 39.78 36.77 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 -5.81 1.68 -0.09 1.20 0.52 -0.33 -1.66 118.95 114.46 1yjx s ARG 21 Ca 0.11 -1.54 -0.30 0.00 -0.52 0.00 0.00 55.73 53.48 1yjx s ARG 21 Cb -0.05 -1.89 -0.02 0.00 0.52 0.00 0.00 34.95 33.51 1yjx s ARG 21 CO 0.77 0.39 1.10 -0.06 0.02 0.00 0.00 175.30 177.52 1yjx s PHE 22 N -1.92 3.34 -0.19 -0.53 0.08 -0.49 -4.63 117.98 113.64 1yjx s PHE 22 Ca 0.24 1.41 -0.15 0.00 0.12 0.00 0.00 56.93 58.55 1yjx s PHE 22 Cb -0.07 -3.30 -0.09 0.00 -0.57 0.00 0.00 43.02 38.99 1yjx s PHE 22 CO 0.12 -0.76 -0.16 0.43 -0.10 0.00 0.00 175.22 174.75 1yjx n SER 23 N 5.21 1.88 0.00 1.36 7.64 -1.26 0.33 113.62 128.78 1yjx n SER 23 Ca 0.10 0.47 0.00 0.00 1.01 0.00 0.00 58.87 60.45 1yjx n SER 23 Cb 0.47 -0.85 0.00 0.00 -1.01 0.00 0.00 64.21 62.82 1yjx n SER 23 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1yjx n GLY 24 N 1.48 4.12 0.21 0.23 0.00 -1.26 -0.44 105.19 109.52 1yjx n GLY 24 Ca -0.22 0.09 0.15 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.90 1.61 7.02 -1.26 -4.60 117.44 132.31 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 -0.06 -0.02 0.00 -2.42 0.00 0.00 31.31 28.81 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 -2.16 2.94 -1.02 -5.99 5.04 0.41 -4.84 117.35 111.73 1yjx s TYR 26 Ca 0.38 0.81 -0.08 0.00 -2.44 0.00 0.00 57.07 55.73 1yjx s TYR 26 Cb 0.21 -3.95 -0.16 0.00 0.35 0.00 0.00 41.96 38.42 1yjx s TYR 26 CO 0.39 -3.25 3.20 -3.47 -1.34 0.00 0.00 175.55 171.09 1yjx n ASP 27 N 2.78 7.43 -4.77 4.32 2.03 -1.26 -4.94 116.55 122.14 1yjx n ASP 27 Ca 0.09 -2.53 -0.40 0.00 0.52 0.00 0.00 54.79 52.48 1yjx n ASP 27 Cb 0.39 -1.50 -0.01 0.00 -0.72 0.00 0.00 41.12 39.28 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 1.75 3.30 0.59 -1.67 0.00 -1.26 -4.76 121.76 119.72 1yjx s ALA 28 Ca 0.69 1.25 -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 -0.04 -0.81 0.86 0.34 0.00 0.00 0.00 175.76 176.12 1yjx s ASP 29 N -0.68 5.28 0.56 0.00 -1.08 -1.26 -3.52 116.67 115.97 1yjx s ASP 29 Ca 0.56 0.34 -0.19 0.00 -0.52 0.00 0.00 52.55 52.74 1yjx s ASP 29 Cb -0.39 -1.22 -0.05 0.00 -1.46 0.00 0.00 42.92 39.80 1yjx s ASP 29 CO 0.50 -1.20 1.11 -0.76 0.52 0.00 0.00 175.17 175.33 1yjx s LEU 30 N -4.93 3.68 0.54 -1.34 1.43 -1.26 -0.03 118.68 116.77 1yjx s LEU 30 Ca 0.56 2.08 -0.03 0.00 -1.03 0.00 0.00 54.13 55.70 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 -1.21 0.82 -0.94 0.23 0.00 0.00 176.35 175.66 1yjx s SER 31 N -2.02 5.65 0.25 2.29 1.04 0.18 -4.42 113.70 116.66 1yjx s SER 31 Ca 0.70 0.53 -0.04 0.00 0.48 0.00 0.00 55.95 57.62 1yjx s SER 31 Cb -0.21 -1.60 0.48 0.00 0.10 0.00 0.00 66.02 64.78 1yjx s SER 31 CO 0.29 -0.95 1.72 -0.65 0.98 0.00 0.00 173.24 174.63 1yjx h PRO 32 N 0.03 0.39 -0.38 4.02 0.11 -1.96 0.13 132.00 134.34 1yjx h PRO 32 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1yjx h PRO 32 Cb 1.26 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 1yjx h PRO 32 CO 0.59 0.26 0.24 0.00 -0.21 0.00 0.00 178.00 178.88 1yjx h ALA 33 N 1.57 0.48 -0.76 -0.75 0.00 -1.93 0.02 119.26 117.89 1yjx h ALA 33 Ca 0.43 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.33 1yjx h ALA 33 Cb 0.68 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 1yjx h ALA 33 CO -0.44 -0.05 0.50 0.78 0.00 0.00 0.00 179.25 180.05 1yjx h GLY 34 N 0.51 1.06 0.87 0.00 0.00 -0.97 0.93 103.07 105.47 1yjx h GLY 34 Ca 0.14 -0.38 -0.04 0.00 0.00 0.00 0.00 47.33 47.05 1yjx h GLY 34 CO -0.03 0.34 0.02 0.84 0.00 0.00 0.00 176.54 177.72 1yjx h HIS 35 N 0.96 0.50 -0.79 5.60 6.17 -0.17 -2.33 115.15 125.08 1yjx h HIS 35 Ca 0.29 -0.08 0.04 0.00 0.71 0.00 0.00 60.37 61.34 1yjx h HIS 35 Cb -0.00 -0.13 -0.05 0.00 2.52 0.00 0.00 27.41 29.75 1yjx h HIS 35 CO -0.00 0.59 0.52 1.49 0.71 0.00 0.00 177.93 181.24 1yjx h GLU 36 N 0.26 0.94 -0.07 5.26 4.57 0.05 -0.84 114.58 124.75 1yjx h GLU 36 Ca 0.08 -0.06 0.01 0.00 -1.18 0.00 0.00 59.36 58.22 1yjx h GLU 36 Cb 0.38 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 1yjx h GLU 36 CO 0.01 0.62 -0.00 0.93 -1.18 0.00 0.00 179.01 179.39 1yjx h GLU 37 N 0.96 0.02 -0.60 1.92 5.08 -0.45 0.36 114.58 121.88 1yjx h GLU 37 Ca 0.32 -0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.72 1yjx h GLU 37 Cb 0.06 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.26 1yjx h GLU 37 CO -0.10 0.01 0.34 0.00 -1.00 0.00 0.00 179.01 178.26 1yjx h ALA 38 N 1.06 0.78 -0.37 3.43 0.00 -0.82 0.30 119.26 123.65 1yjx h ALA 38 Ca 0.03 0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.00 1yjx h ALA 38 Cb 0.04 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 1yjx h ALA 38 CO -0.06 0.03 0.11 -0.22 0.00 0.00 0.00 179.25 179.11 1yjx h LYS 39 N 0.65 0.24 -0.24 0.00 3.64 -0.55 0.44 116.57 120.75 1yjx h LYS 39 Ca 0.26 -0.01 -0.14 0.00 -1.27 0.00 0.00 60.65 59.48 1yjx h LYS 39 Cb 0.11 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 1yjx h LYS 39 CO -0.15 0.16 -0.43 0.00 -2.27 0.00 0.00 179.45 176.76 1yjx h ARG 40 N 0.25 0.58 0.18 1.90 3.08 -0.20 -2.50 114.38 117.67 1yjx h ARG 40 Ca 0.17 -0.31 -0.01 0.00 0.07 0.00 0.00 59.98 59.90 1yjx h ARG 40 Cb 0.17 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.23 1yjx h ARG 40 CO -0.19 0.90 -0.10 0.78 -1.07 0.00 0.00 179.97 180.29 1yjx h GLY 41 N 1.04 -0.27 0.53 0.04 0.00 0.37 -2.46 103.07 102.32 1yjx h GLY 41 Ca 0.04 0.11 0.05 0.00 0.00 0.00 0.00 47.33 47.52 1yjx h GLY 41 CO 0.08 -0.10 -0.05 -1.33 0.00 0.00 0.00 176.54 175.14 1yjx h GLY 42 N -0.26 0.18 -0.86 4.60 0.00 -0.92 -1.74 103.07 104.07 1yjx h GLY 42 Ca -0.02 0.07 0.11 0.00 0.00 0.00 0.00 47.33 47.49 1yjx h GLY 42 CO 0.03 -0.09 -0.40 -0.18 0.00 0.00 0.00 176.54 175.90 1yjx n GLN 43 N -5.21 -0.27 -0.19 4.80 -0.06 -0.95 0.11 117.38 115.61 1yjx n GLN 43 Ca -0.01 1.31 -0.03 0.00 -2.00 0.00 0.00 57.00 56.27 1yjx n GLN 43 Cb 0.14 -1.94 0.04 0.00 -4.06 0.00 0.00 30.24 24.43 1yjx n GLN 43 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1yjx h ALA 44 N 0.88 0.27 -0.96 1.69 0.00 -0.87 0.35 119.26 120.61 1yjx h ALA 44 Ca 0.23 0.21 0.01 0.00 0.00 0.00 0.00 54.91 55.36 1yjx h ALA 44 Cb 0.45 0.52 -0.05 0.00 0.00 0.00 0.00 17.79 18.71 1yjx h ALA 44 CO -0.83 -0.49 0.63 -0.07 0.00 0.00 0.00 179.25 178.48 1yjx h LEU 45 N -0.05 1.12 -0.17 0.00 3.38 0.91 0.30 115.31 120.79 1yjx h LEU 45 Ca 0.27 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.19 1yjx h LEU 45 Cb 0.46 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1yjx h LEU 45 CO -0.61 0.82 0.09 -0.09 0.09 0.00 0.00 178.44 178.74 1yjx h ARG 46 N 1.31 0.24 -0.69 1.13 1.12 0.23 0.04 114.38 117.76 1yjx h ARG 46 Ca 0.35 -0.03 -0.05 0.00 -1.11 0.00 0.00 59.98 59.14 1yjx h ARG 46 Cb -0.13 -0.05 -0.03 0.00 -0.01 0.00 0.00 29.97 29.75 1yjx h ARG 46 CO -0.07 0.26 0.22 -0.44 -3.11 0.00 0.00 179.97 176.82 1yjx h ASP 47 N 0.17 0.99 0.14 -3.80 3.32 -0.00 -0.80 116.42 116.44 1yjx h ASP 47 Ca 0.06 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 56.93 1yjx h ASP 47 Cb 0.09 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.38 1yjx h ASP 47 CO -0.01 0.92 0.00 0.00 -1.72 0.00 0.00 179.24 178.43 1yjx n ALA 48 N -2.45 2.44 -3.52 3.45 0.00 0.05 -4.90 120.51 115.59 1yjx n ALA 48 Ca 0.06 -0.15 -0.25 0.00 0.00 0.00 0.00 53.44 53.09 1yjx n ALA 48 Cb 0.22 -1.43 0.05 0.00 0.00 0.00 0.00 19.45 18.29 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 0.75 -0.53 3.78 0.00 0.00 -0.14 -4.96 105.19 104.09 1yjx n GLY 49 Ca 0.18 0.21 -0.36 0.00 0.00 0.00 0.00 46.02 46.04 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 -3.26 3.07 -0.03 1.61 1.51 -0.40 -5.03 117.35 114.82 1yjx s TYR 50 Ca 0.53 1.59 0.03 0.00 -1.01 0.00 0.00 57.07 58.22 1yjx s TYR 50 Cb -0.24 -3.22 -0.00 0.00 -0.11 0.00 0.00 41.96 38.39 1yjx s TYR 50 CO 0.65 -1.01 -0.12 -1.21 -1.11 0.00 0.00 175.55 172.76 1yjx s GLU 51 N -2.68 1.21 0.36 -0.62 2.02 -1.26 -4.87 118.70 112.86 1yjx s GLU 51 Ca 0.61 -0.43 0.08 0.00 0.02 0.00 0.00 54.97 55.26 1yjx s GLU 51 Cb -0.24 -1.11 -0.07 0.00 0.10 0.00 0.00 34.13 32.81 1yjx s GLU 51 CO 0.29 0.19 -0.05 -0.06 0.02 0.00 0.00 175.26 175.65 1yjx s PHE 52 N 0.04 2.37 0.00 1.61 0.40 -1.26 -4.83 117.98 116.30 1yjx s PHE 52 Ca -0.01 -0.60 0.00 0.00 -0.60 0.00 0.00 56.93 55.72 1yjx s PHE 52 Cb -0.09 -1.47 0.00 0.00 0.51 0.00 0.00 43.02 41.97 1yjx s PHE 52 CO 0.01 0.48 0.00 -0.25 0.70 0.00 0.00 175.22 176.16 1yjx n ASP 53 N -0.82 4.94 -3.62 1.36 8.00 0.05 -4.92 116.55 121.54 1yjx n ASP 53 Ca -0.05 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.30 1yjx n ASP 53 Cb 0.65 0.87 -0.07 0.00 -0.02 0.00 0.00 41.12 42.54 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 -1.98 0.01 0.05 0.53 2.07 -1.22 -4.28 121.20 116.38 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 0.00 -0.05 -0.23 0.00 -1.91 0.00 0.00 174.94 172.76 1yjx s PHE 56 N -0.82 1.63 0.30 0.00 0.40 -0.45 0.02 117.98 119.06 1yjx s PHE 56 Ca 0.09 -0.51 -0.02 0.00 -0.60 0.00 0.00 56.93 55.89 1yjx s PHE 56 Cb -0.09 -1.12 -0.01 0.00 0.51 0.00 0.00 43.02 42.30 1yjx s PHE 56 CO 0.02 -0.20 0.39 -0.08 0.70 0.00 0.00 175.22 176.05 1yjx s THR 57 N 0.22 0.00 0.00 0.64 -1.32 -0.38 -1.80 115.64 113.01 1yjx s THR 57 Ca -0.07 -1.69 0.00 0.00 -1.21 0.00 0.00 61.69 58.72 1yjx s THR 57 Cb -0.13 -2.53 0.00 0.00 -1.51 0.00 0.00 72.50 68.33 1yjx s THR 57 CO 0.03 0.00 0.00 -1.54 -2.21 0.00 0.00 174.62 170.90 1yjx n SER 58 N -1.10 0.00 -1.20 8.08 3.41 -1.25 -1.20 113.62 120.36 1yjx n SER 58 Ca 0.02 -0.62 -0.01 0.00 -0.26 0.00 0.00 58.87 58.00 1yjx n SER 58 Cb 0.62 0.00 0.23 0.00 -0.26 0.00 0.00 64.21 64.80 1yjx n SER 58 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1yjx n VAL 59 N -1.13 2.53 -4.52 -3.33 0.24 -1.23 -4.01 118.33 106.88 1yjx n VAL 59 Ca 0.00 -2.26 -0.33 0.00 -2.04 0.00 0.00 64.34 59.70 1yjx n VAL 59 Cb 0.00 -0.31 -0.14 0.00 -1.47 0.00 0.00 33.84 31.93 1yjx n VAL 59 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1yjx s GLN 60 N -3.07 3.48 0.07 7.34 -0.21 -1.26 -5.04 119.66 120.97 1yjx s GLN 60 Ca 0.45 -0.62 -0.13 0.00 0.02 0.00 0.00 55.36 55.08 1yjx s GLN 60 Cb 0.39 -2.78 -0.03 0.00 1.00 0.00 0.00 33.01 31.59 1yjx s GLN 60 CO 0.05 0.16 1.04 1.63 -2.12 0.00 0.00 175.29 176.06 1yjx n LYS 61 N 3.72 -0.19 -0.37 2.91 5.02 -1.26 -1.23 118.16 126.76 1yjx n LYS 61 Ca -0.18 1.03 0.28 0.00 -2.02 0.00 0.00 58.31 57.42 1yjx n LYS 61 Cb 0.52 -1.52 0.54 0.00 -0.02 0.00 0.00 35.03 34.55 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 0.25 0.00 1.97 0.11 -1.89 1.03 114.38 115.86 1yjx h ARG 62 Ca 0.07 -0.02 -0.01 0.00 0.10 0.00 0.00 59.98 60.13 1yjx h ARG 62 Cb 0.18 -0.06 -0.00 0.00 1.11 0.00 0.00 29.97 31.20 1yjx h ARG 62 CO -0.40 0.17 -0.05 0.00 0.10 0.00 0.00 179.97 179.79 1yjx h ALA 63 N 1.72 0.01 -0.42 0.08 0.00 -1.48 -2.86 119.26 116.31 1yjx h ALA 63 Ca 0.73 -0.47 0.07 0.00 0.00 0.00 0.00 54.91 55.25 1yjx h ALA 63 Cb 1.94 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 19.70 1yjx h ALA 63 CO -0.47 0.03 0.05 0.82 0.00 0.00 0.00 179.25 179.68 1yjx h ILE 64 N -1.00 0.74 -0.19 0.00 2.04 0.06 0.38 117.51 119.54 1yjx h ILE 64 Ca -0.01 -0.06 -0.03 0.00 1.00 0.00 0.00 64.86 65.76 1yjx h ILE 64 Cb 0.89 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 1yjx h ILE 64 CO -0.01 0.03 -0.03 -0.09 0.00 0.00 0.00 178.15 178.06 1yjx h ARG 65 N 0.17 0.28 -0.30 2.37 2.43 0.90 0.63 114.38 120.87 1yjx h ARG 65 Ca 0.21 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.29 1yjx h ARG 65 Cb 0.27 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 1yjx h ARG 65 CO -0.30 0.33 0.04 1.15 -1.51 0.00 0.00 179.97 179.68 1yjx h THR 66 N 0.27 1.24 0.01 0.20 2.02 -0.81 -0.55 112.91 115.30 1yjx h THR 66 Ca 0.06 -0.84 0.02 0.00 0.77 0.00 0.00 66.41 66.43 1yjx h THR 66 Cb 0.23 1.21 -0.02 0.00 -1.74 0.00 0.00 68.15 67.83 1yjx h THR 66 CO 0.01 0.27 -0.12 0.25 0.37 0.00 0.00 175.52 176.30 1yjx h LEU 67 N 0.31 -0.34 -0.17 2.58 6.46 0.10 -0.70 115.31 123.55 1yjx h LEU 67 Ca 0.09 0.05 0.05 0.00 -0.12 0.00 0.00 57.88 57.94 1yjx h LEU 67 Cb 0.36 0.14 -0.05 0.00 -0.73 0.00 0.00 40.66 40.38 1yjx h LEU 67 CO 0.01 -0.17 -0.15 -0.50 -0.62 0.00 0.00 178.44 177.00 1yjx h TRP 68 N -0.21 -0.39 -0.63 1.25 4.06 -0.80 0.15 115.95 119.39 1yjx h TRP 68 Ca 0.04 0.03 0.06 0.00 2.06 0.00 0.00 58.89 61.08 1yjx h TRP 68 Cb 0.25 0.20 -0.06 0.00 -1.00 0.00 0.00 29.16 28.56 1yjx h TRP 68 CO -0.17 -0.22 0.33 1.15 -3.56 0.00 0.00 178.44 175.96 1yjx h THR 69 N -0.17 0.93 0.10 1.49 2.02 -0.73 0.26 112.91 116.81 1yjx h THR 69 Ca 0.11 -0.21 -0.00 0.00 0.77 0.00 0.00 66.41 67.08 1yjx h THR 69 Cb 0.33 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 67.02 1yjx h THR 69 CO -0.27 0.11 -0.05 0.58 0.37 0.00 0.00 175.52 176.26 1yjx h VAL 70 N 0.60 1.01 -0.96 3.16 2.07 -0.47 -0.76 116.25 120.90 1yjx h VAL 70 Ca 0.29 -0.37 0.11 0.00 0.82 0.00 0.00 66.70 67.55 1yjx h VAL 70 Cb 0.22 1.24 -0.08 0.00 -1.52 0.00 0.00 31.29 31.15 1yjx h VAL 70 CO -0.20 0.09 0.59 -0.07 0.02 0.00 0.00 177.57 178.00 1yjx h LEU 71 N -0.30 0.87 -0.20 2.57 3.38 -0.33 -0.46 115.31 120.85 1yjx h LEU 71 Ca -0.01 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1yjx h LEU 71 Cb 0.25 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1yjx h LEU 71 CO 0.02 0.48 0.07 -0.78 0.09 0.00 0.00 178.44 178.32 1yjx h ASP 72 N 0.96 0.28 -0.81 -0.43 -0.00 -0.77 0.72 116.42 116.38 1yjx h ASP 72 Ca 0.47 -0.18 0.05 0.00 -0.00 0.00 0.00 57.03 57.36 1yjx h ASP 72 Cb 0.43 -0.07 -0.05 0.00 -0.00 0.00 0.00 39.33 39.63 1yjx h ASP 72 CO -0.25 0.39 0.51 0.00 -0.00 0.00 0.00 179.24 179.88 1yjx h ALA 73 N 0.90 1.09 -0.42 -0.78 0.00 0.20 -2.09 119.26 118.15 1yjx h ALA 73 Ca 0.06 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1yjx h ALA 73 Cb 0.20 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1yjx h ALA 73 CO -0.00 0.28 0.00 0.44 0.00 0.00 0.00 179.25 179.97 1yjx n ILE 74 N -4.62 2.02 -3.99 0.00 -5.35 -0.31 -4.83 119.36 102.28 1yjx n ILE 74 Ca 0.10 -1.02 -0.35 0.00 -0.27 0.00 0.00 62.75 61.21 1yjx n ILE 74 Cb 0.13 -0.34 -0.00 0.00 -1.74 0.00 0.00 39.64 37.68 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 0.45 -2.70 -2.68 7.28 4.64 -0.76 -4.89 116.55 117.89 1yjx n ASP 75 Ca 0.20 -1.16 0.00 0.00 -1.38 0.00 0.00 54.79 52.46 1yjx n ASP 75 Cb 0.95 -2.41 0.05 0.00 -1.04 0.00 0.00 41.12 38.66 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 -4.60 1.52 0.21 -0.67 6.02 0.17 -4.87 117.38 115.17 1yjx n GLN 76 Ca -0.19 -3.25 0.15 0.00 -0.01 0.00 0.00 57.00 53.70 1yjx n GLN 76 Cb 0.62 -1.35 0.73 0.00 1.02 0.00 0.00 30.24 31.26 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 -1.90 -1.79 114.93 115.37 1yjx h MET 77 Ca -0.16 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.48 1yjx h MET 77 Cb 1.34 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.00 1yjx h MET 77 CO 0.16 0.00 -0.02 -2.67 1.06 0.00 0.00 176.91 175.43 1yjx n TRP 78 N -2.58 0.00 -1.92 -0.22 4.27 -1.26 -4.87 117.44 110.85 1yjx n TRP 78 Ca -0.01 0.00 -0.40 0.00 -3.89 0.00 0.00 57.50 53.21 1yjx n TRP 78 Cb 0.13 -0.42 0.01 0.00 -1.36 0.00 0.00 31.31 29.67 1yjx n TRP 78 CO 0.00 0.00 0.00 -0.51 -2.29 0.00 0.00 177.69 174.89 1yjx s LEU 79 N -2.86 4.17 0.28 5.67 1.43 -0.67 -4.94 118.68 121.74 1yjx s LEU 79 Ca 0.19 2.79 -0.29 0.00 -1.03 0.00 0.00 54.13 55.79 1yjx s LEU 79 Cb 0.19 -3.92 -0.09 0.00 0.03 0.00 0.00 46.19 42.40 1yjx s LEU 79 CO 0.51 -1.01 1.14 -2.16 0.23 0.00 0.00 176.35 175.06 1yjx s PRO 80 N -2.34 4.58 0.01 1.29 0.04 -1.26 -4.89 135.00 132.42 1yjx s PRO 80 Ca 0.59 1.88 0.06 0.00 0.04 0.00 0.00 61.00 63.56 1yjx s PRO 80 Cb -0.41 -3.18 -0.02 0.00 0.04 0.00 0.00 34.50 30.93 1yjx s PRO 80 CO 0.53 0.11 -0.18 0.14 0.04 0.00 0.00 177.00 177.64 1yjx s VAL 81 N -1.02 1.43 -0.14 -0.36 -7.23 -1.26 -1.29 120.40 110.53 1yjx s VAL 81 Ca 0.46 -0.92 0.02 0.00 -1.81 0.00 0.00 61.98 59.73 1yjx s VAL 81 Cb -0.33 -1.22 0.01 0.00 0.56 0.00 0.00 36.38 35.40 1yjx s VAL 81 CO 0.42 0.28 -0.21 -0.69 -0.31 0.00 0.00 175.10 174.59 1yjx s VAL 82 N -0.60 2.01 -0.01 1.32 1.01 0.10 -4.96 120.40 119.29 1yjx s VAL 82 Ca 0.06 -0.95 -0.02 0.00 0.00 0.00 0.00 61.98 61.07 1yjx s VAL 82 Cb -0.08 -1.78 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 1yjx s VAL 82 CO 0.00 0.54 0.16 -0.13 0.00 0.00 0.00 175.10 175.67 1yjx s ARG 83 N 0.82 3.34 -0.23 2.72 0.52 -1.26 -1.25 118.95 123.61 1yjx s ARG 83 Ca -0.07 -0.37 -0.18 0.00 -0.52 0.00 0.00 55.73 54.60 1yjx s ARG 83 Cb -0.16 -3.04 0.06 0.00 0.52 0.00 0.00 34.95 32.34 1yjx s ARG 83 CO -0.02 0.67 0.59 -0.08 0.02 0.00 0.00 175.30 176.48 1yjx s THR 84 N -1.30 -0.00 0.42 0.02 -1.32 -0.35 -4.95 115.64 108.16 1yjx s THR 84 Ca 0.26 0.02 0.36 0.00 -1.21 0.00 0.00 61.69 61.12 1yjx s THR 84 Cb -0.12 -0.84 0.39 0.00 -1.51 0.00 0.00 72.50 70.41 1yjx s THR 84 CO 0.18 0.01 2.17 4.11 -2.21 0.00 0.00 174.62 178.87 1yjx h TRP 85 N 6.03 0.00 0.00 9.09 5.08 -1.89 -2.15 115.95 132.11 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 0.27 0.03 0.00 0.54 -1.28 0.00 0.00 178.44 178.01 1yjx n ARG 86 N -3.26 0.16 -0.25 0.12 1.74 -1.26 -0.43 116.66 113.48 1yjx n ARG 86 Ca -0.02 0.55 0.09 0.00 -0.77 0.00 0.00 57.85 57.70 1yjx n ARG 86 Cb 0.19 -1.91 0.23 0.00 -1.02 0.00 0.00 32.46 29.94 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 -2.23 3.38 -4.65 0.55 4.77 -0.81 -3.83 117.00 114.19 1yjx n LEU 87 Ca 0.00 -1.84 -0.31 0.00 -0.03 0.00 0.00 56.01 53.84 1yjx n LEU 87 Cb 0.11 -0.32 0.18 0.00 -2.33 0.00 0.00 43.42 41.06 1yjx n LEU 87 CO 0.14 0.81 0.66 0.20 -1.33 0.00 0.00 177.39 177.87 1yjx s ASN 88 N -1.09 2.61 0.82 -1.43 -0.87 0.43 -4.35 114.94 111.06 1yjx s ASN 88 Ca 0.36 2.14 -0.10 0.00 -1.57 0.00 0.00 52.86 53.68 1yjx s ASN 88 Cb 0.19 -2.55 0.09 0.00 -0.02 0.00 0.00 41.25 38.96 1yjx s ASN 88 CO 0.26 -3.29 1.11 -0.70 -2.57 0.00 0.00 177.10 171.90 1yjx s GLU 89 N -4.61 1.85 0.26 -0.60 2.56 -1.26 -4.34 118.70 112.55 1yjx s GLU 89 Ca 0.67 1.25 -0.30 0.00 0.00 0.00 0.00 54.97 56.59 1yjx s GLU 89 Cb -0.23 -1.84 -0.10 0.00 2.00 0.00 0.00 34.13 33.95 1yjx s GLU 89 CO 0.59 -1.96 1.46 0.50 -0.56 0.00 0.00 175.26 175.29 1yjx s ARG 90 N -4.83 4.25 -0.05 4.30 3.52 -1.26 -4.64 118.95 120.23 1yjx s ARG 90 Ca 0.63 2.34 -0.30 0.00 -0.13 0.00 0.00 55.73 58.27 1yjx s ARG 90 Cb -0.19 -3.09 -0.05 0.00 -1.56 0.00 0.00 34.95 30.06 1yjx s ARG 90 CO 0.57 -0.44 1.42 -1.58 -0.81 0.00 0.00 175.30 174.46 1yjx s HIS 91 N -0.05 2.65 -0.70 5.12 5.65 -1.26 -4.24 115.29 122.46 1yjx s HIS 91 Ca 0.59 0.72 0.09 0.00 0.25 0.00 0.00 55.06 56.72 1yjx s HIS 91 Cb -0.43 -3.68 0.50 0.00 -1.18 0.00 0.00 32.58 27.79 1yjx s HIS 91 CO 0.44 -2.59 1.28 0.66 -0.65 0.00 0.00 174.74 173.89 1yjx n TYR 92 N 6.05 1.22 -0.59 3.88 4.01 -1.26 -0.72 117.16 129.75 1yjx n TYR 92 Ca 0.14 -0.43 0.00 0.00 -0.16 0.00 0.00 57.90 57.45 1yjx n TYR 92 Cb 0.44 -0.32 0.00 0.00 -0.31 0.00 0.00 39.34 39.15 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 0.48 1.31 0.35 2.72 0.00 -1.24 -1.51 105.19 107.31 1yjx n GLY 93 Ca 0.17 -0.36 0.17 0.00 0.00 0.00 0.00 46.02 46.01 1yjx n GLY 93 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1yjx h GLY 94 N 0.00 0.00 2.00 -0.02 0.00 -0.85 0.71 103.07 104.90 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 0.75 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.54 1yjx h LEU 95 CO -0.00 0.00 0.75 0.41 0.09 0.00 0.00 178.44 179.69 1yjx n THR 96 N -2.73 0.16 0.00 0.22 -1.04 0.24 -1.29 114.28 109.84 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 0.29 -1.28 0.00 0.00 -1.82 0.00 0.00 70.33 67.52 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 3.43 3.04 3.77 3.41 0.00 0.15 -4.88 105.19 114.11 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 3.58 -0.03 0.99 1.43 -0.41 -4.61 118.68 119.63 1yjx s LEU 98 Ca 0.00 2.11 -0.30 0.00 -1.03 0.00 0.00 54.13 54.91 1yjx s LEU 98 Cb 0.00 -4.57 -0.03 0.00 0.03 0.00 0.00 46.19 41.63 1yjx s LEU 98 CO 0.00 -1.43 1.00 0.21 0.23 0.00 0.00 176.35 176.36 1yjx s ASN 99 N -2.13 7.32 0.20 2.29 3.84 -1.26 -1.40 114.94 123.80 1yjx s ASN 99 Ca 0.70 1.63 -0.10 0.00 0.21 0.00 0.00 52.86 55.31 1yjx s ASN 99 Cb -0.23 -2.57 0.22 0.00 -0.55 0.00 0.00 41.25 38.13 1yjx s ASN 99 CO 0.34 -0.33 1.80 0.11 -2.79 0.00 0.00 177.10 176.23 1yjx h LYS 100 N 6.90 0.64 -0.39 0.43 1.57 -1.66 0.01 116.57 124.07 1yjx h LYS 100 Ca -0.38 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.36 1yjx h LYS 100 Cb 1.20 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 33.34 1yjx h LYS 100 CO 0.79 0.42 0.21 0.00 -0.57 0.00 0.00 179.45 180.30 1yjx h ALA 101 N 1.33 0.50 -0.53 3.86 0.00 -1.93 -1.11 119.26 121.39 1yjx h ALA 101 Ca 0.29 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 1yjx h ALA 101 Cb 0.17 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1yjx h ALA 101 CO -0.18 0.03 -0.07 0.93 0.00 0.00 0.00 179.25 179.96 1yjx h GLU 102 N 0.50 0.96 -0.89 0.00 5.08 -1.86 -1.40 114.58 116.97 1yjx h GLU 102 Ca 0.14 -0.33 -0.02 0.00 -1.00 0.00 0.00 59.36 58.15 1yjx h GLU 102 Cb 0.06 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.19 1yjx h GLU 102 CO -0.02 0.99 0.48 1.15 -1.00 0.00 0.00 179.01 180.61 1yjx h THR 103 N 0.87 1.26 -0.67 1.13 2.02 -0.70 -0.77 112.91 116.05 1yjx h THR 103 Ca 0.15 -0.66 -0.08 0.00 0.77 0.00 0.00 66.41 66.59 1yjx h THR 103 Cb 0.61 0.06 -0.03 0.00 -1.74 0.00 0.00 68.15 67.05 1yjx h THR 103 CO 0.04 0.30 0.11 0.00 0.37 0.00 0.00 175.52 176.34 1yjx h ALA 104 N 1.27 0.92 -0.11 6.16 0.00 -0.88 0.57 119.26 127.20 1yjx h ALA 104 Ca 0.31 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1yjx h ALA 104 Cb 0.04 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1yjx h ALA 104 CO -0.05 0.67 -0.11 0.00 0.00 0.00 0.00 179.25 179.76 1yjx h ALA 105 N 1.07 1.62 0.00 0.00 0.00 -0.39 3.22 119.26 124.78 1yjx h ALA 105 Ca 0.21 -0.17 -0.23 0.00 0.00 0.00 0.00 54.91 54.72 1yjx h ALA 105 Cb 0.44 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1yjx h ALA 105 CO 0.01 0.28 -1.33 1.57 0.00 0.00 0.00 179.25 179.79 1yjx h LYS 106 N 0.16 0.00 0.00 0.00 -0.00 -0.61 -3.40 116.57 112.72 1yjx h LYS 106 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.68 1yjx h LYS 106 Cb 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.53 1yjx h LYS 106 CO 0.02 0.62 0.00 0.72 -0.00 0.00 0.00 179.45 180.81 1yjx n HIS 107 N -3.13 0.00 0.00 0.07 8.25 0.14 -5.10 115.22 115.44 1yjx n HIS 107 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 1yjx n HIS 107 Cb 0.95 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.06 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 0.90 -2.64 0.33 -1.41 0.00 1.07 -4.10 105.19 99.34 1yjx n GLY 108 Ca 0.00 -1.27 0.08 0.00 0.00 0.00 0.00 46.02 44.82 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 0.78 -0.01 1.61 4.39 -1.94 -1.50 114.58 117.90 1yjx h GLU 109 Ca 0.00 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.65 1yjx h GLU 109 Cb 0.00 -0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 28.47 1yjx h GLU 109 CO 0.00 0.51 -0.02 0.00 -1.16 0.00 0.00 179.01 178.34 1yjx h ALA 110 N 1.55 -0.40 -0.07 3.43 0.00 -1.95 1.95 119.26 123.77 1yjx h ALA 110 Ca 0.49 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.43 1yjx h ALA 110 Cb 0.60 0.63 -0.04 0.00 0.00 0.00 0.00 17.79 18.98 1yjx h ALA 110 CO -0.32 -0.41 -0.16 0.37 0.00 0.00 0.00 179.25 178.73 1yjx h GLN 111 N -0.02 -0.23 -0.39 0.00 5.75 -1.66 -0.31 115.11 118.26 1yjx h GLN 111 Ca 0.00 0.02 0.07 0.00 -0.15 0.00 0.00 58.65 58.59 1yjx h GLN 111 Cb 0.02 0.05 -0.06 0.00 1.07 0.00 0.00 27.48 28.56 1yjx h GLN 111 CO -0.02 -0.15 -0.01 -0.24 -2.65 0.00 0.00 178.83 175.77 1yjx h VAL 112 N -0.23 0.70 -0.92 2.39 3.04 -1.06 -0.67 116.25 119.50 1yjx h VAL 112 Ca 0.08 -0.03 0.11 0.00 -1.01 0.00 0.00 66.70 65.84 1yjx h VAL 112 Cb 0.34 0.60 -0.08 0.00 -2.01 0.00 0.00 31.29 30.14 1yjx h VAL 112 CO -0.21 0.02 0.56 0.50 -1.01 0.00 0.00 177.57 177.43 1yjx h LYS 113 N 0.10 0.88 0.22 4.17 3.64 0.39 0.33 116.57 126.30 1yjx h LYS 113 Ca 0.19 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.52 1yjx h LYS 113 Cb 0.27 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 1yjx h LYS 113 CO -0.32 0.58 -0.26 0.82 -2.27 0.00 0.00 179.45 178.00 1yjx h ILE 114 N 0.91 0.44 -0.16 2.00 1.08 0.34 0.19 117.51 122.29 1yjx h ILE 114 Ca 0.45 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.97 1yjx h ILE 114 Cb 0.42 0.44 -0.01 0.00 -3.07 0.00 0.00 36.82 34.60 1yjx h ILE 114 CO -0.25 0.00 0.30 -0.50 -0.69 0.00 0.00 178.15 177.01 1yjx h TRP 115 N -0.53 0.00 0.00 1.37 6.55 0.25 -0.33 115.95 123.26 1yjx h TRP 115 Ca 0.00 0.00 -0.15 0.00 0.95 0.00 0.00 58.89 59.70 1yjx h TRP 115 Cb 0.51 0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 28.78 1yjx h TRP 115 CO -0.19 0.00 -1.37 0.54 -1.05 0.00 0.00 178.44 176.37 1yjx n ARG 116 N -3.37 0.54 0.03 0.49 3.00 -0.39 -4.66 116.66 112.31 1yjx n ARG 116 Ca 0.02 0.30 0.05 0.00 -0.01 0.00 0.00 57.85 58.21 1yjx n ARG 116 Cb 0.41 -1.51 -0.08 0.00 0.00 0.00 0.00 32.46 31.27 1yjx n ARG 116 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.63 180.52 1yjx n ARG 117 N -4.42 0.63 -1.61 5.56 -4.01 0.56 -4.93 116.66 108.44 1yjx n ARG 117 Ca -0.26 0.07 -0.38 0.00 -1.04 0.00 0.00 57.85 56.24 1yjx n ARG 117 Cb 0.60 -1.72 0.05 0.00 -3.04 0.00 0.00 32.46 28.35 1yjx n ARG 117 CO 0.00 0.00 0.00 -1.13 -3.04 0.00 0.00 177.63 173.46 1yjx n SER 118 N -2.66 0.75 0.08 2.89 3.41 -0.14 -4.66 113.62 113.29 1yjx n SER 118 Ca -0.07 0.81 -0.22 0.00 -0.26 0.00 0.00 58.87 59.14 1yjx n SER 118 Cb 0.71 -1.38 -0.14 0.00 -0.26 0.00 0.00 64.21 63.14 1yjx n SER 118 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 1yjx h TYR 119 N 0.54 0.84 0.00 7.33 3.20 -1.87 -3.39 116.97 123.61 1yjx h TYR 119 Ca -0.48 -0.55 0.00 0.00 3.14 0.00 0.00 58.73 60.84 1yjx h TYR 119 Cb 1.36 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 39.57 1yjx h TYR 119 CO 0.37 1.40 -0.02 -0.40 -1.64 0.00 0.00 178.16 177.87 1yjx n ASP 120 N -3.93 1.95 -4.37 -2.11 5.68 -1.26 -1.50 116.55 111.01 1yjx n ASP 120 Ca -0.14 -2.41 -0.44 0.00 -0.50 0.00 0.00 54.79 51.31 1yjx n ASP 120 Cb 0.92 -0.19 -0.08 0.00 -1.14 0.00 0.00 41.12 40.63 1yjx n ASP 120 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1yjx s VAL 121 N -1.70 5.03 0.58 2.12 1.01 -1.26 -4.93 120.40 121.26 1yjx s VAL 121 Ca 0.14 -1.12 -0.17 0.00 0.00 0.00 0.00 61.98 60.83 1yjx s VAL 121 Cb 0.12 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 1yjx s VAL 121 CO 0.01 -0.56 1.08 -2.16 0.00 0.00 0.00 175.10 173.48 1yjx s PRO 122 N 1.60 3.28 0.95 2.72 0.04 -1.26 -4.68 135.00 137.64 1yjx s PRO 122 Ca 0.04 1.36 -0.13 0.00 0.04 0.00 0.00 61.00 62.31 1yjx s PRO 122 Cb -0.24 -2.02 0.16 0.00 0.04 0.00 0.00 34.50 32.44 1yjx s PRO 122 CO 0.06 -0.86 1.15 -1.25 0.04 0.00 0.00 177.00 176.14 1yjx s PRO 123 N -3.77 0.84 0.46 0.56 0.04 -1.26 -4.95 135.00 126.92 1yjx s PRO 123 Ca 0.67 0.20 -0.23 0.00 0.04 0.00 0.00 61.00 61.67 1yjx s PRO 123 Cb -0.19 -1.81 -0.09 0.00 0.04 0.00 0.00 34.50 32.45 1yjx s PRO 123 CO 0.33 -2.38 1.08 -2.30 0.04 0.00 0.00 177.00 173.77 1yjx n PRO 124 N -3.88 1.43 -1.84 0.56 -0.02 -1.26 -4.77 135.00 125.22 1yjx n PRO 124 Ca 0.08 0.52 -0.35 0.00 -2.02 0.00 0.00 63.50 61.72 1yjx n PRO 124 Cb 0.59 -2.16 0.05 0.00 -0.02 0.00 0.00 33.50 31.96 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 -2.21 2.73 -0.52 0.52 0.02 -1.26 -0.85 135.00 133.43 1yjx s PRO 125 Ca 0.65 1.81 -0.24 0.00 0.02 0.00 0.00 61.00 63.24 1yjx s PRO 125 Cb -0.52 -1.90 0.04 0.00 0.02 0.00 0.00 34.50 32.14 1yjx s PRO 125 CO 0.55 -1.39 0.91 1.41 -0.33 0.00 0.00 177.00 178.16 1yjx s MET 126 N -3.51 3.38 0.56 5.54 1.75 0.72 -2.88 119.30 124.85 1yjx s MET 126 Ca 0.77 -0.17 -0.17 0.00 -1.25 0.00 0.00 55.69 54.87 1yjx s MET 126 Cb -0.30 -4.01 -0.05 0.00 2.84 0.00 0.00 34.83 33.30 1yjx s MET 126 CO 0.37 -1.38 1.05 -1.21 -0.65 0.00 0.00 175.02 173.19 1yjx s GLU 127 N 3.81 3.51 0.62 4.11 0.41 -1.26 -4.88 118.70 125.02 1yjx s GLU 127 Ca 0.31 1.23 0.27 0.00 -0.41 0.00 0.00 54.97 56.38 1yjx s GLU 127 Cb -0.12 -2.06 1.48 0.00 -1.78 0.00 0.00 34.13 31.65 1yjx s GLU 127 CO 0.21 -0.66 1.82 -1.35 -0.49 0.00 0.00 175.26 174.79 1yjx h PRO 128 N 0.81 0.00 -0.56 0.39 0.11 -1.99 0.37 132.00 131.13 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 -2.77 3.42 -4.77 -2.05 5.75 -1.26 -4.79 116.55 110.09 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 0.38 -0.37 -0.03 0.00 -1.03 0.00 0.00 41.12 40.08 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 -1.27 3.20 0.63 2.11 2.46 0.13 -4.90 115.29 117.65 1yjx s HIS 130 Ca 0.42 1.54 0.27 0.00 0.47 0.00 0.00 55.06 57.77 1yjx s HIS 130 Cb 0.23 -3.47 1.41 0.00 -0.13 0.00 0.00 32.58 30.62 1yjx s HIS 130 CO 0.31 -1.30 1.81 -1.35 -2.47 0.00 0.00 174.74 171.73 1yjx h PRO 131 N 3.22 0.00 -0.01 2.88 0.11 -1.92 -1.47 132.00 134.81 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 0.65 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 179.63 1yjx n PHE 132 N -3.27 0.03 0.14 0.65 3.72 -1.26 -4.79 117.46 112.69 1yjx n PHE 132 Ca 0.04 -0.75 -0.14 0.00 -0.05 0.00 0.00 57.45 56.55 1yjx n PHE 132 Cb 0.62 -0.10 -0.08 0.00 -0.94 0.00 0.00 39.48 38.98 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 0.08 -1.23 -0.36 1.38 3.20 -1.53 -0.70 116.97 117.81 1yjx h TYR 133 Ca 0.00 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 1yjx h TYR 133 Cb 0.77 0.51 -0.02 0.00 1.54 0.00 0.00 36.73 39.53 1yjx h TYR 133 CO 0.02 -0.51 0.18 0.77 -1.64 0.00 0.00 178.16 176.98 1yjx h SER 134 N -0.69 0.47 -0.99 -2.11 0.02 -1.87 0.04 113.55 108.42 1yjx h SER 134 Ca -0.02 -0.11 0.22 0.00 -0.84 0.00 0.00 61.79 61.04 1yjx h SER 134 Cb 0.66 -0.12 -0.12 0.00 0.14 0.00 0.00 62.40 62.96 1yjx h SER 134 CO -0.18 0.45 0.57 -1.13 -1.14 0.00 0.00 176.83 175.41 1yjx h ASN 135 N 0.45 0.67 0.00 3.07 -0.73 -1.81 -1.24 115.58 115.99 1yjx h ASN 135 Ca 0.13 0.12 0.00 0.00 1.87 0.00 0.00 56.30 58.42 1yjx h ASN 135 Cb 0.10 0.02 0.00 0.00 0.27 0.00 0.00 38.32 38.71 1yjx h ASN 135 CO -0.02 0.15 0.00 -0.38 -0.37 0.00 0.00 177.43 176.81 1yjx n ILE 136 N -4.86 0.00 0.33 2.57 2.08 -0.29 -4.03 119.36 115.16 1yjx n ILE 136 Ca 0.25 0.25 0.16 0.00 0.56 0.00 0.00 62.75 63.97 1yjx n ILE 136 Cb 0.67 -1.12 0.84 0.00 -0.75 0.00 0.00 39.64 39.28 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 -0.32 4.38 4.64 -1.11 -0.35 113.55 120.79 1yjx h SER 137 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1yjx h SER 137 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1yjx h SER 137 CO 0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 1yjx n LYS 138 N -2.93 2.50 -2.04 4.77 4.76 -0.47 -4.98 118.16 119.76 1yjx n LYS 138 Ca -0.02 -1.96 -0.42 0.00 -2.87 0.00 0.00 58.31 53.04 1yjx n LYS 138 Cb 0.37 -1.28 -0.03 0.00 -1.84 0.00 0.00 35.03 32.25 1yjx n LYS 138 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1yjx s ASP 139 N -1.00 6.70 0.37 4.39 3.68 -0.14 -4.85 116.67 125.82 1yjx s ASP 139 Ca 0.24 2.37 0.22 0.00 2.13 0.00 0.00 52.55 57.50 1yjx s ASP 139 Cb 0.13 -2.57 1.34 0.00 -1.45 0.00 0.00 42.92 40.36 1yjx s ASP 139 CO 0.17 -0.80 1.59 -0.09 0.13 0.00 0.00 175.17 176.17 1yjx h ARG 140 N 7.81 0.04 -0.98 4.34 2.43 -1.93 -0.43 114.38 125.66 1yjx h ARG 140 Ca -0.41 -0.00 0.34 0.00 -0.81 0.00 0.00 59.98 59.09 1yjx h ARG 140 Cb 1.20 -0.01 -0.17 0.00 -0.42 0.00 0.00 29.97 30.57 1yjx h ARG 140 CO 0.91 0.03 0.40 -0.09 -1.51 0.00 0.00 179.97 179.70 1yjx h ARG 141 N 0.04 0.11 -0.56 0.20 2.43 -1.94 -0.05 114.38 114.61 1yjx h ARG 141 Ca 0.84 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 60.00 1yjx h ARG 141 Cb 2.25 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 31.77 1yjx h ARG 141 CO -0.72 0.07 0.00 0.66 -1.51 0.00 0.00 179.97 178.48 1yjx n TYR 142 N -5.25 1.55 -0.32 2.20 4.01 -0.17 -4.68 117.16 114.50 1yjx n TYR 142 Ca 0.31 -0.68 0.17 0.00 -0.16 0.00 0.00 57.90 57.54 1yjx n TYR 142 Cb 1.02 -0.33 0.42 0.00 -0.31 0.00 0.00 39.34 40.14 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 3.63 1.95 -0.09 -0.72 0.00 -1.09 -1.24 119.26 121.70 1yjx h ALA 143 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1yjx h ALA 143 Cb 1.59 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.34 1yjx h ALA 143 CO 0.30 -0.32 0.00 -0.25 0.00 0.00 0.00 179.25 178.98 1yjx n ASP 144 N -4.67 0.57 -4.76 0.00 8.00 -1.26 -4.84 116.55 109.58 1yjx n ASP 144 Ca 0.23 -1.85 -0.39 0.00 0.71 0.00 0.00 54.79 53.49 1yjx n ASP 144 Cb 0.69 -0.06 -0.05 0.00 -0.02 0.00 0.00 41.12 41.67 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 -1.18 4.48 1.25 0.64 1.43 -0.47 -5.05 118.68 119.78 1yjx s LEU 145 Ca 0.14 1.41 -0.18 0.00 -1.03 0.00 0.00 54.13 54.48 1yjx s LEU 145 Cb 0.07 -3.14 0.31 0.00 0.03 0.00 0.00 46.19 43.46 1yjx s LEU 145 CO 0.11 0.11 1.01 0.42 0.23 0.00 0.00 176.35 178.23 1yjx s THR 146 N -0.45 1.64 0.31 5.49 -4.23 -1.26 -4.73 115.64 112.40 1yjx s THR 146 Ca 0.35 0.00 0.02 0.00 -1.18 0.00 0.00 61.69 60.88 1yjx s THR 146 Cb -0.20 -2.20 0.15 0.00 1.34 0.00 0.00 72.50 71.59 1yjx s THR 146 CO 0.22 0.00 1.85 1.05 -0.54 0.00 0.00 174.62 177.20 1yjx h GLU 147 N -2.84 0.67 -0.10 3.99 9.09 -1.97 -2.82 114.58 120.60 1yjx h GLU 147 Ca -0.52 -0.14 -0.20 0.00 0.05 0.00 0.00 59.36 58.55 1yjx h GLU 147 Cb 1.33 -0.10 0.00 0.00 -1.65 0.00 0.00 28.75 28.34 1yjx h GLU 147 CO 0.41 0.65 -0.77 -0.44 0.05 0.00 0.00 179.01 178.91 1yjx h ASP 148 N 0.64 0.65 -0.16 3.06 3.32 -2.04 -3.33 116.42 118.57 1yjx h ASP 148 Ca 0.14 -0.44 -0.02 0.00 0.02 0.00 0.00 57.03 56.73 1yjx h ASP 148 Cb 0.32 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 1yjx h ASP 148 CO 0.01 1.20 0.02 1.56 -1.72 0.00 0.00 179.24 180.31 1yjx h GLN 149 N 0.37 0.26 -6.10 3.56 4.20 -1.84 -3.41 115.11 112.15 1yjx h GLN 149 Ca -0.04 -0.07 -0.58 0.00 0.06 0.00 0.00 58.65 58.01 1yjx h GLN 149 Cb 1.37 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 29.11 1yjx h GLN 149 CO 0.14 0.44 1.40 -1.17 -0.67 0.00 0.00 178.83 178.98 1yjx s LEU 150 N -9.62 3.48 0.52 1.46 1.98 -1.09 -4.95 118.68 110.46 1yjx s LEU 150 Ca -0.14 1.68 -0.09 0.00 -2.89 0.00 0.00 54.13 52.69 1yjx s LEU 150 Cb 0.06 -3.52 -0.05 0.00 0.66 0.00 0.00 46.19 43.35 1yjx s LEU 150 CO 0.71 -1.84 0.88 -2.16 -1.89 0.00 0.00 176.35 172.05 1yjx s PRO 151 N 6.04 3.64 0.00 0.98 0.04 -1.26 -4.96 135.00 139.48 1yjx s PRO 151 Ca 0.92 0.50 0.11 0.00 0.04 0.00 0.00 61.00 62.58 1yjx s PRO 151 Cb -0.29 -2.26 -0.03 0.00 0.04 0.00 0.00 34.50 31.96 1yjx s PRO 151 CO 0.35 -0.30 0.63 -1.13 0.04 0.00 0.00 177.00 176.59 1yjx n SER 152 N -2.18 1.12 0.00 6.66 3.41 -1.26 -4.97 113.62 116.40 1yjx n SER 152 Ca 0.03 -1.06 0.00 0.00 -0.26 0.00 0.00 58.87 57.58 1yjx n SER 152 Cb 0.54 0.59 0.00 0.00 -0.26 0.00 0.00 64.21 65.09 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 0.28 0.45 0.00 2.02 0.10 -4.91 118.70 114.65 1yjx s GLU 154 Ca 0.00 -0.14 0.07 0.00 0.02 0.00 0.00 54.97 54.92 1yjx s GLU 154 Cb 0.00 0.12 0.02 0.00 0.10 0.00 0.00 34.13 34.37 1yjx s GLU 154 CO 0.00 -0.06 0.62 -1.54 0.02 0.00 0.00 175.26 174.31 1yjx s SER 155 N -0.65 5.55 0.57 -0.19 1.04 -1.26 -4.25 113.70 114.50 1yjx s SER 155 Ca -0.07 -0.38 0.26 0.00 0.48 0.00 0.00 55.95 56.24 1yjx s SER 155 Cb -0.04 -0.63 1.62 0.00 0.10 0.00 0.00 66.02 67.06 1yjx s SER 155 CO 0.01 -0.87 2.17 0.25 0.98 0.00 0.00 173.24 175.78 1yjx h LEU 156 N 0.51 0.00 0.24 2.42 5.85 -1.72 -1.61 115.31 121.00 1yjx h LEU 156 Ca -0.40 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.31 1yjx h LEU 156 Cb 1.28 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.32 1yjx h LEU 156 CO 0.46 0.00 -0.12 0.50 -0.34 0.00 0.00 178.44 178.94 1yjx h LYS 157 N 0.00 -0.31 -0.58 1.25 3.64 -1.60 -2.12 116.57 116.84 1yjx h LYS 157 Ca 0.04 0.02 0.09 0.00 -1.27 0.00 0.00 60.65 59.53 1yjx h LYS 157 Cb 0.19 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.05 1yjx h LYS 157 CO -0.00 0.04 0.39 -0.44 -2.27 0.00 0.00 179.45 177.17 1yjx h ASP 158 N -0.73 0.37 0.26 4.20 3.32 -1.60 0.31 116.42 122.55 1yjx h ASP 158 Ca -0.03 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 1yjx h ASP 158 Cb 0.49 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.97 1yjx h ASP 158 CO 0.05 0.23 -0.12 0.74 -1.72 0.00 0.00 179.24 178.42 1yjx h THR 159 N 0.42 0.79 -0.66 0.35 2.02 -1.35 -2.18 112.91 112.30 1yjx h THR 159 Ca 0.27 -0.57 0.12 0.00 0.77 0.00 0.00 66.41 66.99 1yjx h THR 159 Cb 0.50 1.11 -0.09 0.00 -1.74 0.00 0.00 68.15 67.93 1yjx h THR 159 CO -0.07 0.12 0.22 0.40 0.37 0.00 0.00 175.52 176.55 1yjx h ILE 160 N -0.65 0.68 -0.68 3.11 2.04 -0.60 0.81 117.51 122.22 1yjx h ILE 160 Ca -0.04 -0.13 0.12 0.00 1.00 0.00 0.00 64.86 65.82 1yjx h ILE 160 Cb 0.46 0.28 -0.13 0.00 -0.74 0.00 0.00 36.82 36.70 1yjx h ILE 160 CO 0.06 0.07 -0.30 0.00 0.00 0.00 0.00 178.15 177.97 1yjx h ALA 161 N 1.49 0.12 0.00 1.87 0.00 -0.15 0.97 119.26 123.56 1yjx h ALA 161 Ca 0.35 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.47 1yjx h ALA 161 Cb 0.50 0.75 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1yjx h ALA 161 CO -0.38 -0.60 -0.61 0.07 0.00 0.00 0.00 179.25 177.73 1yjx h ARG 162 N -0.10 0.00 0.16 0.00 -0.00 -0.50 -3.35 114.38 110.58 1yjx h ARG 162 Ca 0.28 0.00 -0.23 0.00 -0.00 0.00 0.00 59.98 60.03 1yjx h ARG 162 Cb 0.56 0.00 0.02 0.00 -0.00 0.00 0.00 29.97 30.55 1yjx h ARG 162 CO -0.74 0.00 -1.03 0.00 -0.00 0.00 0.00 179.97 178.20 1yjx h ALA 163 N 2.46 -0.06 -0.68 0.08 0.00 -0.28 -3.36 119.26 117.42 1yjx h ALA 163 Ca 0.00 -0.79 0.13 0.00 0.00 0.00 0.00 54.91 54.25 1yjx h ALA 163 Cb 0.77 0.18 -0.13 0.00 0.00 0.00 0.00 17.79 18.60 1yjx h ALA 163 CO 0.00 0.50 -0.20 1.25 0.00 0.00 0.00 179.25 180.81 1yjx h LEU 164 N -0.27 -0.73 -0.39 0.00 7.12 -0.96 -0.60 115.31 119.48 1yjx h LEU 164 Ca -0.19 0.21 0.05 0.00 0.13 0.00 0.00 57.88 58.08 1yjx h LEU 164 Cb 1.75 0.45 -0.08 0.00 -0.53 0.00 0.00 40.66 42.26 1yjx h LEU 164 CO 0.16 -0.24 -0.52 -0.65 -0.13 0.00 0.00 178.44 177.06 1yjx h PRO 165 N -0.03 -0.35 0.23 5.25 0.11 -1.71 -0.28 132.00 135.21 1yjx h PRO 165 Ca 0.32 0.02 0.01 0.00 0.11 0.00 0.00 66.00 66.46 1yjx h PRO 165 Cb 0.51 0.08 -0.04 0.00 0.11 0.00 0.00 31.00 31.66 1yjx h PRO 165 CO -0.71 -0.23 -0.51 0.35 -0.21 0.00 0.00 178.00 176.69 1yjx h PHE 166 N -0.36 -1.44 -0.66 0.65 3.57 -1.55 -0.69 116.94 116.46 1yjx h PHE 166 Ca 0.07 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.66 1yjx h PHE 166 Cb 0.55 0.60 -0.08 0.00 2.79 0.00 0.00 35.95 39.81 1yjx h PHE 166 CO -0.73 -0.61 -0.39 1.87 -2.23 0.00 0.00 178.31 176.23 1yjx n TRP 167 N -5.51 -0.29 0.29 0.41 -0.00 -0.30 0.13 117.44 112.17 1yjx n TRP 167 Ca -0.09 0.83 -0.16 0.00 -0.00 0.00 0.00 57.50 58.07 1yjx n TRP 167 Cb 0.42 -0.54 -0.08 0.00 -0.00 0.00 0.00 31.31 31.11 1yjx n TRP 167 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 177.69 176.78 1yjx h ASN 168 N 0.00 -0.58 -0.42 5.87 2.35 -0.91 0.20 115.58 122.09 1yjx h ASN 168 Ca 0.11 0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 55.83 1yjx h ASN 168 Cb 0.27 0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.77 1yjx h ASN 168 CO -0.62 -0.41 0.08 -0.33 -1.65 0.00 0.00 177.43 174.50 1yjx h GLU 169 N -0.68 0.69 0.00 0.81 5.08 -0.14 -3.35 114.58 117.00 1yjx h GLU 169 Ca -0.07 -0.18 -0.38 0.00 -1.00 0.00 0.00 59.36 57.73 1yjx h GLU 169 Cb 0.52 -0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.63 1yjx h GLU 169 CO 0.11 0.72 -2.31 0.39 -1.00 0.00 0.00 179.01 176.92 1yjx n GLU 170 N -4.51 0.53 -0.06 2.33 -0.58 0.35 -4.61 120.64 114.08 1yjx n GLU 170 Ca -0.00 0.19 -0.07 0.00 -0.42 0.00 0.00 57.16 56.85 1yjx n GLU 170 Cb 0.23 -1.39 -0.06 0.00 -0.57 0.00 0.00 31.44 29.65 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 -0.52 0.88 -0.73 -3.67 2.04 -1.33 -3.35 117.51 110.84 1yjx h ILE 171 Ca -0.56 -1.67 0.13 0.00 1.00 0.00 0.00 64.86 63.75 1yjx h ILE 171 Cb 1.63 1.68 -0.13 0.00 -0.74 0.00 0.00 36.82 39.25 1yjx h ILE 171 CO -0.25 0.30 -0.30 0.58 0.00 0.00 0.00 178.15 178.47 1yjx h VAL 172 N -1.00 0.15 -0.65 1.67 2.07 -0.76 0.08 116.25 117.81 1yjx h VAL 172 Ca -0.01 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.65 1yjx h VAL 172 Cb 0.51 0.15 -0.12 0.00 -1.52 0.00 0.00 31.29 30.31 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 0.02 -0.27 1.57 0.11 -1.74 0.22 132.00 131.83 1yjx h PRO 173 Ca 0.30 -0.00 0.04 0.00 0.11 0.00 0.00 66.00 66.45 1yjx h PRO 173 Cb 0.57 -0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.64 1yjx h PRO 173 CO -0.78 0.01 0.04 1.96 -0.21 0.00 0.00 178.00 179.02 1yjx h GLN 174 N 0.02 0.13 -0.64 1.05 1.08 -1.13 0.23 115.11 115.85 1yjx h GLN 174 Ca 0.32 -0.01 0.03 0.00 -1.45 0.00 0.00 58.65 57.55 1yjx h GLN 174 Cb 0.50 -0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 27.86 1yjx h GLN 174 CO -0.65 0.08 0.39 0.82 -0.95 0.00 0.00 178.83 178.52 1yjx h ILE 175 N 0.13 1.06 -0.25 2.54 2.04 -0.42 0.11 117.51 122.72 1yjx h ILE 175 Ca 0.13 -0.26 -0.07 0.00 1.00 0.00 0.00 64.86 65.66 1yjx h ILE 175 Cb 0.14 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 36.44 1yjx h ILE 175 CO -0.18 0.14 -0.14 0.11 0.00 0.00 0.00 178.15 178.08 1yjx h LYS 176 N 0.76 0.42 -0.01 2.37 1.57 -0.47 -1.33 116.57 119.88 1yjx h LYS 176 Ca 0.26 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1yjx h LYS 176 Cb 0.04 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1yjx h LYS 176 CO -0.11 0.56 0.00 0.39 -0.57 0.00 0.00 179.45 179.72 1yjx n GLU 177 N -4.21 1.03 -0.72 3.15 1.02 0.02 -4.88 120.64 116.06 1yjx n GLU 177 Ca 0.00 -0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 1yjx n GLU 177 Cb 0.32 -1.21 0.00 0.00 -0.02 0.00 0.00 31.44 30.52 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 0.72 0.74 3.70 0.62 0.00 -0.50 -5.03 105.19 105.44 1yjx n GLY 178 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.28 4.36 -0.54 1.61 -0.14 0.29 -4.95 119.74 120.09 1yjx s LYS 179 Ca 0.00 1.84 -0.28 0.00 -1.36 0.00 0.00 55.97 56.16 1yjx s LYS 179 Cb 0.00 -3.44 0.03 0.00 -1.68 0.00 0.00 37.83 32.74 1yjx s LYS 179 CO 0.00 -0.40 1.23 1.03 -0.76 0.00 0.00 175.35 176.45 1yjx s ARG 180 N 1.65 3.55 0.19 1.68 3.00 -1.26 -4.13 118.95 123.62 1yjx s ARG 180 Ca 0.60 0.42 -0.15 0.00 0.00 0.00 0.00 55.73 56.60 1yjx s ARG 180 Cb -0.30 -4.00 -0.07 0.00 0.00 0.00 0.00 34.95 30.58 1yjx s ARG 180 CO 0.27 -1.63 0.61 0.08 0.00 0.00 0.00 175.30 174.64 1yjx s VAL 181 N 5.01 4.77 -0.10 3.52 1.01 -1.26 -0.77 120.40 132.58 1yjx s VAL 181 Ca 0.47 0.92 0.00 0.00 0.00 0.00 0.00 61.98 63.38 1yjx s VAL 181 Cb -0.08 -3.75 0.02 0.00 0.00 0.00 0.00 36.38 32.57 1yjx s VAL 181 CO 0.28 0.17 -0.09 -0.22 0.00 0.00 0.00 175.10 175.23 1yjx s LEU 182 N -2.13 1.36 -0.23 3.92 2.96 -1.06 -2.68 118.68 120.83 1yjx s LEU 182 Ca 0.41 -0.32 -0.01 0.00 -0.22 0.00 0.00 54.13 54.00 1yjx s LEU 182 Cb -0.15 -0.86 0.02 0.00 0.50 0.00 0.00 46.19 45.70 1yjx s LEU 182 CO 0.20 -0.07 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.43 1yjx s ILE 183 N 1.39 2.67 -0.37 6.68 1.01 -0.45 -1.35 121.20 130.79 1yjx s ILE 183 Ca -0.01 -0.99 -0.09 0.00 0.00 0.00 0.00 60.65 59.57 1yjx s ILE 183 Cb -0.13 -2.30 0.04 0.00 0.01 0.00 0.00 42.46 40.07 1yjx s ILE 183 CO -0.05 0.29 0.18 0.00 0.00 0.00 0.00 174.94 175.36 1yjx s ALA 184 N 1.32 3.19 0.00 9.38 0.00 -0.74 -1.03 121.76 133.87 1yjx s ALA 184 Ca 0.01 -1.81 0.00 0.00 0.00 0.00 0.00 51.96 50.17 1yjx s ALA 184 Cb -0.16 -2.48 0.00 0.00 0.00 0.00 0.00 23.12 20.49 1yjx s ALA 184 CO -0.06 -1.42 0.00 0.00 0.00 0.00 0.00 175.76 174.28 1yjx n ALA 185 N 4.91 0.00 -2.52 0.00 0.00 -0.62 -3.85 120.51 118.43 1yjx n ALA 185 Ca -0.12 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.08 1yjx n ALA 185 Cb 0.45 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.82 1yjx n ALA 185 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1yjx s HIS 186 N 1.13 2.58 0.12 0.00 3.76 -1.26 -2.13 115.29 119.49 1yjx s HIS 186 Ca 0.00 -0.47 -0.33 0.00 -0.15 0.00 0.00 55.06 54.11 1yjx s HIS 186 Cb 0.00 -1.60 -0.11 0.00 1.11 0.00 0.00 32.58 31.98 1yjx s HIS 186 CO 0.00 0.41 1.55 0.78 -0.85 0.00 0.00 174.74 176.64 1yjx h GLY 187 N 1.71 -1.02 1.28 -2.22 0.00 -1.95 0.33 103.07 101.21 1yjx h GLY 187 Ca -0.43 0.67 -0.15 0.00 0.00 0.00 0.00 47.33 47.43 1yjx h GLY 187 CO 0.68 -0.18 -0.38 3.43 0.00 0.00 0.00 176.54 180.09 1yjx h ASN 188 N -0.53 0.84 -0.48 0.19 2.35 -1.97 -1.16 115.58 114.81 1yjx h ASN 188 Ca 0.05 -0.37 -0.10 0.00 -0.55 0.00 0.00 56.30 55.32 1yjx h ASN 188 Cb 0.66 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.78 1yjx h ASN 188 CO -0.48 1.12 -0.10 0.77 -1.65 0.00 0.00 177.43 177.09 1yjx h SER 189 N 0.65 0.92 -0.36 5.81 4.64 -1.73 -2.51 113.55 120.97 1yjx h SER 189 Ca 0.06 -0.36 -0.04 0.00 -0.47 0.00 0.00 61.79 60.98 1yjx h SER 189 Cb 0.93 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.75 1yjx h SER 189 CO 0.09 1.06 0.10 -0.07 -0.87 0.00 0.00 176.83 177.14 1yjx h LEU 190 N 0.77 0.60 -0.81 5.97 3.38 -0.85 -1.57 115.31 122.80 1yjx h LEU 190 Ca 0.12 -0.10 0.06 0.00 0.09 0.00 0.00 57.88 58.05 1yjx h LEU 190 Cb 0.66 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 41.19 1yjx h LEU 190 CO 0.05 0.61 0.50 0.03 0.09 0.00 0.00 178.44 179.71 1yjx h ARG 191 N 0.63 0.89 -0.16 1.13 3.08 -0.84 -0.20 114.38 118.92 1yjx h ARG 191 Ca 0.14 -0.05 0.05 0.00 0.07 0.00 0.00 59.98 60.19 1yjx h ARG 191 Cb 0.25 -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 -0.18 0.78 -1.07 0.00 0.00 179.97 180.09 1yjx h GLY 192 N 0.92 -0.10 0.77 0.04 0.00 -0.87 0.50 103.07 104.32 1yjx h GLY 192 Ca 0.35 0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.90 1yjx h GLY 192 CO -0.16 -0.17 -0.20 -2.22 0.00 0.00 0.00 176.54 173.79 1yjx h ILE 193 N -0.21 0.57 -0.36 2.60 5.03 -1.19 -1.49 117.51 122.46 1yjx h ILE 193 Ca 0.11 0.00 0.07 0.00 -0.12 0.00 0.00 64.86 64.91 1yjx h ILE 193 Cb 0.37 0.57 -0.06 0.00 -3.03 0.00 0.00 36.82 34.67 1yjx h ILE 193 CO -0.28 0.00 -0.01 0.58 -0.68 0.00 0.00 178.15 177.76 1yjx h VAL 194 N -0.43 0.72 -0.91 1.67 2.07 -0.48 0.87 116.25 119.77 1yjx h VAL 194 Ca 0.00 -0.03 0.07 0.00 0.82 0.00 0.00 66.70 67.57 1yjx h VAL 194 Cb 0.40 0.63 -0.07 0.00 -1.52 0.00 0.00 31.29 30.73 1yjx h VAL 194 CO -0.05 0.02 0.56 0.50 0.02 0.00 0.00 177.57 178.62 1yjx h LYS 195 N 0.09 0.97 -0.04 1.57 3.64 0.17 -0.35 116.57 122.62 1yjx h LYS 195 Ca 0.17 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 1yjx h LYS 195 Cb 0.25 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 31.85 1yjx h LYS 195 CO -0.30 0.64 -0.00 1.25 -2.27 0.00 0.00 179.45 178.77 1yjx h HIS 196 N 1.00 0.08 -0.06 1.91 2.76 -0.17 0.15 115.15 120.82 1yjx h HIS 196 Ca 0.41 -0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.57 1yjx h HIS 196 Cb 0.24 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.17 1yjx h HIS 196 CO -0.03 0.37 -0.01 -0.07 -1.30 0.00 0.00 177.93 176.89 1yjx h LEU 197 N -0.23 -0.05 -0.51 0.26 3.38 -0.52 -3.02 115.31 114.61 1yjx h LEU 197 Ca 0.01 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1yjx h LEU 197 Cb 0.34 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1yjx h LEU 197 CO 0.00 -0.02 -0.12 -0.62 0.09 0.00 0.00 178.44 177.77 1yjx n GLU 198 N -5.12 1.04 -3.55 1.13 1.02 -0.17 -4.34 120.64 110.64 1yjx n GLU 198 Ca -0.06 -0.51 -0.26 0.00 -0.02 0.00 0.00 57.16 56.31 1yjx n GLU 198 Cb 0.06 -1.49 0.03 0.00 -0.02 0.00 0.00 31.44 30.01 1yjx n GLU 198 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1yjx n GLY 199 N 1.25 -0.51 3.78 0.62 0.00 0.47 -4.94 105.19 105.86 1yjx n GLY 199 Ca 0.16 0.17 -0.33 0.00 0.00 0.00 0.00 46.02 46.01 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 -6.98 3.43 0.79 0.99 1.43 -0.94 -5.04 118.68 112.37 1yjx s LEU 200 Ca 0.52 1.94 -0.12 0.00 -1.03 0.00 0.00 54.13 55.44 1yjx s LEU 200 Cb -0.25 -4.55 0.07 0.00 0.03 0.00 0.00 46.19 41.49 1yjx s LEU 200 CO 0.64 -1.46 1.11 -0.94 0.23 0.00 0.00 176.35 175.93 1yjx s SER 201 N -2.64 4.59 0.32 2.29 1.04 -1.26 -4.76 113.70 113.27 1yjx s SER 201 Ca 0.66 1.17 -0.00 0.00 0.48 0.00 0.00 55.95 58.26 1yjx s SER 201 Cb -0.19 -1.88 0.51 0.00 0.10 0.00 0.00 66.02 64.57 1yjx s SER 201 CO 0.40 -1.89 1.96 -0.33 0.98 0.00 0.00 173.24 174.36 1yjx h GLU 202 N -1.04 0.94 -0.46 4.02 5.08 -1.98 0.38 114.58 121.52 1yjx h GLU 202 Ca -0.47 -0.08 -0.06 0.00 -1.00 0.00 0.00 59.36 57.75 1yjx h GLU 202 Cb 1.28 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 30.31 1yjx h GLU 202 CO 0.61 0.66 0.04 1.49 -1.00 0.00 0.00 179.01 180.81 1yjx h GLU 203 N 0.95 0.78 -0.06 2.33 4.81 -1.98 0.20 114.58 121.61 1yjx h GLU 203 Ca 0.25 -0.23 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1yjx h GLU 203 Cb -0.04 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.25 1yjx h GLU 203 CO -0.05 0.82 0.03 0.00 -0.73 0.00 0.00 179.01 179.08 1yjx h ALA 204 N 0.93 0.08 -0.58 2.92 0.00 -1.45 -2.95 119.26 118.21 1yjx h ALA 204 Ca 0.14 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1yjx h ALA 204 Cb 0.44 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1yjx h ALA 204 CO 0.02 -0.33 0.31 0.97 0.00 0.00 0.00 179.25 180.22 1yjx h ILE 205 N -0.06 1.19 -0.30 0.00 6.09 -0.17 -2.41 117.51 121.85 1yjx h ILE 205 Ca 0.02 -0.50 0.09 0.00 -1.37 0.00 0.00 64.86 63.10 1yjx h ILE 205 Cb 0.17 0.46 -0.01 0.00 0.47 0.00 0.00 36.82 37.90 1yjx h ILE 205 CO -0.00 0.21 0.45 0.24 -3.07 0.00 0.00 178.15 175.98 1yjx h MET 206 N 0.79 0.00 0.00 2.19 2.86 -0.44 0.13 114.93 120.46 1yjx h MET 206 Ca 0.20 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.84 1yjx h MET 206 Cb 0.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.72 1yjx h MET 206 CO -0.03 0.00 -0.88 0.39 1.06 0.00 0.00 176.91 177.45 1yjx n GLU 207 N -3.42 0.06 -3.08 1.72 -0.58 -0.91 -4.92 120.64 109.51 1yjx n GLU 207 Ca 0.05 -0.01 -0.39 0.00 -0.42 0.00 0.00 57.16 56.39 1yjx n GLU 207 Cb 0.59 -1.51 -0.05 0.00 -0.57 0.00 0.00 31.44 29.90 1yjx n GLU 207 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1yjx s LEU 208 N -3.17 4.31 -0.27 -4.62 2.96 0.43 -5.04 118.68 113.28 1yjx s LEU 208 Ca 0.08 1.14 -0.01 0.00 -0.22 0.00 0.00 54.13 55.12 1yjx s LEU 208 Cb 0.16 -3.03 0.09 0.00 0.50 0.00 0.00 46.19 43.90 1yjx s LEU 208 CO 0.81 -0.10 0.07 0.20 -1.32 0.00 0.00 176.35 176.01 1yjx s ASN 209 N 0.77 3.73 0.38 3.68 -0.87 -1.26 -5.03 114.94 116.34 1yjx s ASN 209 Ca 0.36 -1.39 -0.27 0.00 -1.57 0.00 0.00 52.86 49.99 1yjx s ASN 209 Cb -0.17 -0.81 -0.10 0.00 -0.02 0.00 0.00 41.25 40.15 1yjx s ASN 209 CO 0.17 -0.37 1.34 -0.76 -2.57 0.00 0.00 177.10 174.91 1yjx s LEU 210 N 1.67 4.29 0.65 0.60 1.43 -1.26 -4.98 118.68 121.08 1yjx s LEU 210 Ca 0.06 2.75 -0.16 0.00 -1.03 0.00 0.00 54.13 55.75 1yjx s LEU 210 Cb -0.17 -3.79 -0.00 0.00 0.03 0.00 0.00 46.19 42.26 1yjx s LEU 210 CO -0.20 -0.78 1.14 -2.84 0.23 0.00 0.00 176.35 173.91 1yjx s PRO 211 N -2.09 2.75 0.04 1.29 0.02 -1.26 -5.01 135.00 130.73 1yjx s PRO 211 Ca 0.54 1.55 -0.04 0.00 0.02 0.00 0.00 61.00 63.07 1yjx s PRO 211 Cb -0.40 -1.93 -0.05 0.00 0.02 0.00 0.00 34.50 32.14 1yjx s PRO 211 CO 0.53 -1.32 0.26 0.95 -0.33 0.00 0.00 177.00 177.09 1yjx s THR 212 N -2.10 5.32 0.00 0.99 -4.23 -1.26 -4.33 115.64 110.03 1yjx s THR 212 Ca 0.71 -0.02 0.00 0.00 -1.18 0.00 0.00 61.69 61.20 1yjx s THR 212 Cb -0.24 -3.58 0.00 0.00 1.34 0.00 0.00 72.50 70.02 1yjx s THR 212 CO 0.39 0.26 0.00 0.61 -0.54 0.00 0.00 174.62 175.34 1yjx n GLY 213 N 0.75 0.69 3.66 3.99 0.00 0.25 -4.89 105.19 109.64 1yjx n GLY 213 Ca -0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 1yjx n GLY 213 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1yjx s ILE 214 N -1.94 5.20 0.07 -0.61 1.01 -1.26 -3.94 121.20 119.74 1yjx s ILE 214 Ca 0.00 0.12 -0.30 0.00 0.00 0.00 0.00 60.65 60.47 1yjx s ILE 214 Cb 0.00 -3.40 -0.09 0.00 0.01 0.00 0.00 42.46 38.97 1yjx s ILE 214 CO 0.00 0.38 1.89 -2.84 0.00 0.00 0.00 174.94 174.37 1yjx s PRO 215 N 0.84 4.14 -0.31 2.79 0.02 -1.26 -4.52 135.00 136.69 1yjx s PRO 215 Ca 0.07 2.58 -0.11 0.00 0.02 0.00 0.00 61.00 63.56 1yjx s PRO 215 Cb -0.13 -3.90 -0.02 0.00 0.02 0.00 0.00 34.50 30.47 1yjx s PRO 215 CO 0.02 -0.90 0.18 0.42 -0.33 0.00 0.00 177.00 176.40 1yjx s ILE 216 N 3.66 4.96 -0.18 2.83 1.01 0.21 -2.38 121.20 131.32 1yjx s ILE 216 Ca 0.84 -0.21 -0.08 0.00 0.00 0.00 0.00 60.65 61.20 1yjx s ILE 216 Cb -0.44 -3.49 -0.04 0.00 0.01 0.00 0.00 42.46 38.50 1yjx s ILE 216 CO 0.39 0.10 0.08 -0.69 0.00 0.00 0.00 174.94 174.81 1yjx s VAL 217 N 1.68 4.92 0.00 2.92 1.01 0.16 0.39 120.40 131.48 1yjx s VAL 217 Ca 0.06 0.01 0.08 0.00 0.00 0.00 0.00 61.98 62.13 1yjx s VAL 217 Cb -0.17 -3.22 -0.03 0.00 0.00 0.00 0.00 36.38 32.97 1yjx s VAL 217 CO 0.08 0.46 -0.23 -0.31 0.00 0.00 0.00 175.10 175.10 1yjx s TYR 218 N 0.33 2.41 -0.26 5.22 1.51 0.14 -1.45 117.35 125.25 1yjx s TYR 218 Ca 0.04 -0.37 0.01 0.00 -1.01 0.00 0.00 57.07 55.74 1yjx s TYR 218 Cb -0.12 -1.48 0.05 0.00 -0.11 0.00 0.00 41.96 40.30 1yjx s TYR 218 CO -0.00 0.08 -0.08 -1.21 -1.11 0.00 0.00 175.55 173.23 1yjx s GLU 219 N -0.93 2.46 0.07 -0.62 2.02 -1.26 -0.45 118.70 119.98 1yjx s GLU 219 Ca 0.11 -1.22 0.02 0.00 0.02 0.00 0.00 54.97 53.91 1yjx s GLU 219 Cb -0.10 -2.97 -0.04 0.00 0.10 0.00 0.00 34.13 31.12 1yjx s GLU 219 CO 0.01 -0.53 0.08 -0.51 0.02 0.00 0.00 175.26 174.33 1yjx s LEU 220 N 1.20 3.81 0.00 1.80 1.43 -0.07 -1.41 118.68 125.44 1yjx s LEU 220 Ca -0.05 0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.06 1yjx s LEU 220 Cb -0.19 -2.45 0.00 0.00 0.03 0.00 0.00 46.19 43.59 1yjx s LEU 220 CO -0.04 0.19 0.00 -0.90 0.23 0.00 0.00 176.35 175.83 1yjx n ASP 221 N 0.59 0.00 0.00 2.29 5.68 -0.94 -2.45 116.55 121.71 1yjx n ASP 221 Ca -0.09 -0.83 0.01 0.00 -0.50 0.00 0.00 54.79 53.38 1yjx n ASP 221 Cb 0.52 0.00 0.07 0.00 -1.14 0.00 0.00 41.12 40.57 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 -0.83 0.07 -0.18 0.11 -0.00 -1.26 -1.01 118.16 115.06 1yjx n LYS 222 Ca 0.00 0.05 0.06 0.00 -0.00 0.00 0.00 58.31 58.41 1yjx n LYS 222 Cb 0.00 -1.50 0.14 0.00 -0.00 0.00 0.00 35.03 33.67 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 -1.05 2.83 -2.41 -5.58 3.02 -1.26 -4.94 115.26 105.87 1yjx n ASN 223 Ca 0.02 -2.39 -0.11 0.00 -0.03 0.00 0.00 54.58 52.06 1yjx n ASN 223 Cb 0.01 -0.27 -0.01 0.00 -0.61 0.00 0.00 39.78 38.90 1yjx n ASN 223 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1yjx n LEU 224 N -0.26 -1.04 -4.50 3.41 4.77 -0.18 -4.89 117.00 114.29 1yjx n LEU 224 Ca 0.12 0.22 -0.34 0.00 -0.03 0.00 0.00 56.01 55.98 1yjx n LEU 224 Cb 0.52 -2.04 -0.12 0.00 -2.33 0.00 0.00 43.42 39.45 1yjx n LEU 224 CO 0.07 -0.13 -0.32 -0.75 -1.33 0.00 0.00 177.39 174.92 1yjx s LYS 225 N -4.96 3.71 0.47 3.23 2.20 -1.26 -4.86 119.74 118.27 1yjx s LYS 225 Ca 0.00 -0.49 -0.22 0.00 -0.36 0.00 0.00 55.97 54.90 1yjx s LYS 225 Cb 0.00 -3.04 -0.10 0.00 -1.51 0.00 0.00 37.83 33.18 1yjx s LYS 225 CO 0.00 0.16 0.82 -2.30 -0.36 0.00 0.00 175.35 173.66 1yjx n PRO 226 N 3.82 0.96 -0.00 4.03 -0.02 -1.26 -2.21 135.00 140.31 1yjx n PRO 226 Ca -0.17 0.35 0.04 0.00 -2.02 0.00 0.00 63.50 61.70 1yjx n PRO 226 Cb 0.52 -1.88 0.04 0.00 -0.02 0.00 0.00 33.50 32.16 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 -0.96 0.01 -3.73 4.25 -6.64 -0.50 -4.84 119.36 106.95 1yjx n ILE 227 Ca 0.11 -0.50 -0.02 0.00 -1.77 0.00 0.00 62.75 60.57 1yjx n ILE 227 Cb 0.42 1.17 -0.01 0.00 -1.44 0.00 0.00 39.64 39.78 1yjx n ILE 227 CO 0.00 0.00 0.00 -1.59 -1.77 0.00 0.00 176.55 173.19 1yjx s LYS 228 N -0.73 0.97 0.73 6.28 -2.85 -1.26 -5.10 119.74 117.79 1yjx s LYS 228 Ca 0.10 -0.55 -0.13 0.00 -1.00 0.00 0.00 55.97 54.40 1yjx s LYS 228 Cb 0.07 0.32 0.04 0.00 -2.06 0.00 0.00 37.83 36.20 1yjx s LYS 228 CO 0.11 -0.45 1.11 -1.25 0.10 0.00 0.00 175.35 174.98 1yjx s PRO 229 N -2.94 2.39 0.31 1.78 0.04 -1.26 -4.81 135.00 130.52 1yjx s PRO 229 Ca 0.14 1.35 -0.30 0.00 0.04 0.00 0.00 61.00 62.23 1yjx s PRO 229 Cb 0.00 -1.90 -0.12 0.00 0.04 0.00 0.00 34.50 32.52 1yjx s PRO 229 CO 0.01 -1.56 1.56 0.00 0.04 0.00 0.00 177.00 177.05 1yjx n MET 230 N -3.02 2.66 -4.17 4.56 0.00 -1.26 -4.92 117.12 110.97 1yjx n MET 230 Ca 0.10 0.94 -0.28 0.00 0.00 0.00 0.00 57.70 58.46 1yjx n MET 230 Cb 0.52 -2.70 -0.08 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 -0.88 2.46 0.16 3.17 -0.21 -0.53 -4.92 119.66 118.90 1yjx s GLN 231 Ca 0.62 -0.98 0.08 0.00 0.02 0.00 0.00 55.36 55.10 1yjx s GLN 231 Cb -0.50 -2.44 -0.04 0.00 1.00 0.00 0.00 33.01 31.03 1yjx s GLN 231 CO 0.52 0.50 -0.07 -0.06 -2.12 0.00 0.00 175.29 174.06 1yjx s PHE 232 N -1.50 2.72 -0.02 0.91 2.99 -1.26 0.35 117.98 122.17 1yjx s PHE 232 Ca 0.26 -0.18 0.03 0.00 0.00 0.00 0.00 56.93 57.04 1yjx s PHE 232 Cb -0.11 -1.35 -0.03 0.00 0.00 0.00 0.00 43.02 41.54 1yjx s PHE 232 CO 0.18 0.49 -0.09 -0.51 -0.00 0.00 0.00 175.22 175.30 1yjx s LEU 233 N -2.72 3.07 0.00 -0.37 1.43 -1.00 -4.96 118.68 114.13 1yjx s LEU 233 Ca 0.25 -0.14 0.00 0.00 -1.03 0.00 0.00 54.13 53.21 1yjx s LEU 233 Cb -0.09 -1.73 0.00 0.00 0.03 0.00 0.00 46.19 44.40 1yjx s LEU 233 CO 0.16 0.31 0.00 0.61 0.23 0.00 0.00 176.35 177.66 1yjx n GLY 234 N 1.83 3.98 3.05 -3.19 0.00 -1.26 -4.39 105.19 105.21 1yjx n GLY 234 Ca -0.16 -1.51 -0.25 0.00 0.00 0.00 0.00 46.02 44.09 1yjx n GLY 234 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1yjx n ASP 235 N 0.00 -2.69 -0.13 1.61 5.68 -1.26 -4.34 116.55 115.42 1yjx n ASP 235 Ca 0.00 -0.16 -0.04 0.00 -0.50 0.00 0.00 54.79 54.09 1yjx n ASP 235 Cb 0.00 -0.71 0.03 0.00 -1.14 0.00 0.00 41.12 39.31 1yjx n ASP 235 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1yjx h GLU 236 N -1.96 0.09 0.19 0.11 -0.00 -2.00 -2.63 114.58 108.38 1yjx h GLU 236 Ca -0.34 -0.01 -0.01 0.00 -0.00 0.00 0.00 59.36 59.01 1yjx h GLU 236 Cb 1.01 -0.02 0.00 0.00 -0.00 0.00 0.00 28.75 29.74 1yjx h GLU 236 CO 0.21 0.06 -0.09 0.93 -0.00 0.00 0.00 179.01 180.12 1yjx h GLU 237 N 0.09 -0.25 -0.66 1.06 5.08 -1.98 -2.50 114.58 115.43 1yjx h GLU 237 Ca 0.21 0.02 0.14 0.00 -1.00 0.00 0.00 59.36 58.73 1yjx h GLU 237 Cb 0.30 0.06 -0.11 0.00 0.50 0.00 0.00 28.75 29.50 1yjx h GLU 237 CO -0.36 -0.16 -0.02 1.15 -1.00 0.00 0.00 179.01 178.62 1yjx h THR 238 N -0.27 0.43 0.00 1.13 2.02 -1.89 -0.52 112.91 113.81 1yjx h THR 238 Ca -0.03 -0.03 -0.09 0.00 0.77 0.00 0.00 66.41 67.03 1yjx h THR 238 Cb 0.20 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 66.92 1yjx h THR 238 CO 0.04 0.02 -0.40 1.62 0.37 0.00 0.00 175.52 177.17 1yjx h VAL 239 N 0.10 1.22 0.00 3.16 3.04 -1.57 -2.95 116.25 119.25 1yjx h VAL 239 Ca 0.35 -1.42 0.00 0.00 -1.01 0.00 0.00 66.70 64.62 1yjx h VAL 239 Cb 0.57 1.78 0.00 0.00 -2.01 0.00 0.00 31.29 31.63 1yjx h VAL 239 CO -0.58 0.40 -0.10 0.03 -1.01 0.00 0.00 177.57 176.30 1yjx h ARG 240 N 0.00 0.00 0.21 4.17 -0.00 -0.66 -3.20 114.38 114.90 1yjx h ARG 240 Ca -0.00 0.00 -0.32 0.00 -0.50 0.00 0.00 59.98 59.16 1yjx h ARG 240 Cb 0.75 0.00 0.02 0.00 0.00 0.00 0.00 29.97 30.74 1yjx h ARG 240 CO 0.05 0.00 -1.47 1.57 0.00 0.00 0.00 179.97 180.12 1yjx h LYS 241 N 0.00 0.44 0.00 0.04 2.10 -1.09 -3.25 116.57 114.81 1yjx h LYS 241 Ca 0.00 -0.76 0.00 0.00 -2.00 0.00 0.00 60.65 57.89 1yjx h LYS 241 Cb 0.79 0.28 0.00 0.00 -0.90 0.00 0.00 32.23 32.41 1yjx h LYS 241 CO 0.00 1.36 0.00 0.00 -2.00 0.00 0.00 179.45 178.81 1yjx n ALA 242 N -2.78 2.25 -0.01 0.07 0.00 -1.17 -2.39 120.51 116.48 1yjx n ALA 242 Ca -0.20 -0.12 -0.09 0.00 0.00 0.00 0.00 53.44 53.03 1yjx n ALA 242 Cb 1.04 -1.37 -0.14 0.00 0.00 0.00 0.00 19.45 18.98 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 0.01 0.00 0.00 2.86 -1.58 -3.30 114.93 112.92 1yjx h MET 243 Ca 0.00 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.60 1yjx h MET 243 Cb 0.13 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.79 1yjx h MET 243 CO 0.00 0.59 -0.11 0.93 1.06 0.00 0.00 176.91 179.38 1yjx h GLU 244 N 0.00 0.00 -0.02 1.72 5.08 -1.54 -3.52 114.58 116.31 1yjx h GLU 244 Ca -0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 1yjx h GLU 244 Cb 1.98 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.23 1yjx h GLU 244 CO 0.09 0.11 0.00 0.00 -1.00 0.00 0.00 179.01 178.21