#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yjx n ALA 3 N 0.00 0.00 -1.62 0.00 0.00 -1.26 -5.04 120.51 112.59 1yjx n ALA 3 Ca 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 53.44 52.86 1yjx n ALA 3 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 1yjx n ALA 3 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1yjx n TYR 4 N 0.00 1.45 -4.78 0.00 0.53 -1.09 -4.75 117.16 108.52 1yjx n TYR 4 Ca 0.00 0.82 -0.33 0.00 -1.02 0.00 0.00 57.90 57.37 1yjx n TYR 4 Cb 0.00 -2.28 -0.15 0.00 -1.03 0.00 0.00 39.34 35.88 1yjx n TYR 4 CO 0.00 0.00 0.00 0.15 -1.02 0.00 0.00 176.86 175.99 1yjx s LYS 5 N 1.53 3.21 -0.06 -0.72 -0.14 -1.26 0.49 119.74 122.79 1yjx s LYS 5 Ca 0.93 -0.77 0.05 0.00 -1.36 0.00 0.00 55.97 54.82 1yjx s LYS 5 Cb -1.16 -2.53 -0.02 0.00 -1.68 0.00 0.00 37.83 32.44 1yjx s LYS 5 CO 0.60 0.11 -0.21 -1.17 -0.76 0.00 0.00 175.35 173.93 1yjx s LEU 6 N 0.56 2.31 -0.09 3.17 0.20 0.42 -4.26 118.68 120.99 1yjx s LEU 6 Ca -0.10 -0.41 0.04 0.00 0.69 0.00 0.00 54.13 54.34 1yjx s LEU 6 Cb -0.16 -1.44 0.00 0.00 -0.43 0.00 0.00 46.19 44.16 1yjx s LEU 6 CO 0.04 0.27 -0.21 -0.69 -0.29 0.00 0.00 176.35 175.46 1yjx s VAL 7 N -0.28 1.83 0.13 1.68 1.01 -0.95 0.12 120.40 123.94 1yjx s VAL 7 Ca 0.01 -0.89 0.09 0.00 0.00 0.00 0.00 61.98 61.19 1yjx s VAL 7 Cb -0.13 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 1yjx s VAL 7 CO 0.03 0.51 -0.17 -0.76 0.00 0.00 0.00 175.10 174.70 1yjx s LEU 8 N 0.43 2.72 -0.15 3.92 1.43 0.13 -0.88 118.68 126.28 1yjx s LEU 8 Ca -0.18 -0.58 -0.06 0.00 -1.03 0.00 0.00 54.13 52.29 1yjx s LEU 8 Cb -0.17 -1.54 0.07 0.00 0.03 0.00 0.00 46.19 44.58 1yjx s LEU 8 CO 0.08 0.17 0.32 -0.51 0.23 0.00 0.00 176.35 176.64 1yjx s ILE 9 N -1.23 -0.40 -0.14 -0.59 2.07 0.11 0.37 121.20 121.39 1yjx s ILE 9 Ca 0.19 0.21 -0.21 0.00 -1.41 0.00 0.00 60.65 59.43 1yjx s ILE 9 Cb -0.10 -0.52 -0.03 0.00 0.13 0.00 0.00 42.46 41.93 1yjx s ILE 9 CO 0.11 0.09 0.60 -0.60 -1.91 0.00 0.00 174.94 173.23 1yjx s ARG 10 N 2.22 4.32 0.75 3.50 3.52 -1.26 -1.77 118.95 130.23 1yjx s ARG 10 Ca -0.02 0.64 -0.15 0.00 -0.13 0.00 0.00 55.73 56.07 1yjx s ARG 10 Cb -0.11 -3.50 0.02 0.00 -1.56 0.00 0.00 34.95 29.80 1yjx s ARG 10 CO -0.10 -0.03 1.00 -2.39 -0.81 0.00 0.00 175.30 172.97 1yjx n HIS 11 N 4.26 0.73 -1.01 5.12 1.44 -0.97 0.51 115.22 125.30 1yjx n HIS 11 Ca -0.03 0.39 0.00 0.00 -2.01 0.00 0.00 57.72 56.07 1yjx n HIS 11 Cb 0.51 -2.08 0.00 0.00 0.12 0.00 0.00 29.99 28.54 1yjx n HIS 11 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1yjx n GLY 12 N 0.99 -0.12 3.58 -1.39 0.00 -1.26 -4.24 105.19 102.74 1yjx n GLY 12 Ca 0.13 -1.77 -0.49 0.00 0.00 0.00 0.00 46.02 43.89 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 -0.45 1.19 -3.73 1.61 2.13 -1.26 -4.86 120.64 115.27 1yjx n GLU 13 Ca 0.00 0.42 -0.22 0.00 0.66 0.00 0.00 57.16 58.03 1yjx n GLU 13 Cb 0.00 -1.94 -0.04 0.00 0.27 0.00 0.00 31.44 29.73 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 0.06 4.97 0.26 4.31 1.04 -1.26 -0.83 113.70 122.25 1yjx s SER 14 Ca 0.74 -0.75 -0.02 0.00 0.48 0.00 0.00 55.95 56.40 1yjx s SER 14 Cb -0.86 -0.64 0.43 0.00 0.10 0.00 0.00 66.02 65.05 1yjx s SER 14 CO 0.51 -0.55 1.85 0.00 0.98 0.00 0.00 173.24 176.03 1yjx h ALA 15 N 1.17 1.34 0.00 5.32 0.00 -0.54 0.38 119.26 126.94 1yjx h ALA 15 Ca -0.42 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 1yjx h ALA 15 Cb 1.26 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 1yjx h ALA 15 CO 0.60 0.29 -0.07 -1.49 0.00 0.00 0.00 179.25 178.58 1yjx h TRP 16 N 1.02 0.00 -0.12 0.00 4.06 -1.92 -2.94 115.95 116.04 1yjx h TRP 16 Ca 0.43 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 61.37 1yjx h TRP 16 Cb 0.29 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.44 1yjx h TRP 16 CO -0.02 0.07 0.05 -0.91 -3.56 0.00 0.00 178.44 174.07 1yjx h ASN 17 N 0.00 0.17 0.36 -3.49 2.35 -1.18 -0.56 115.58 113.23 1yjx h ASN 17 Ca -0.00 -0.17 0.00 0.00 -0.55 0.00 0.00 56.30 55.58 1yjx h ASN 17 Cb 0.82 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.15 1yjx h ASN 17 CO 0.01 0.30 -0.01 0.00 -1.65 0.00 0.00 177.43 176.07 1yjx n LEU 18 N -4.89 0.08 -0.46 1.61 -0.00 -1.09 -1.33 117.00 110.92 1yjx n LEU 18 Ca -0.05 0.15 0.13 0.00 -0.00 0.00 0.00 56.01 56.24 1yjx n LEU 18 Cb 0.12 -0.18 0.29 0.00 -0.00 0.00 0.00 43.42 43.65 1yjx n LEU 18 CO 0.34 0.01 0.62 -0.62 -0.00 0.00 0.00 177.39 177.75 1yjx n GLU 19 N -1.14 1.32 -3.60 1.47 1.02 -0.86 -4.95 120.64 113.90 1yjx n GLU 19 Ca 0.17 -0.92 -0.21 0.00 -0.02 0.00 0.00 57.16 56.18 1yjx n GLU 19 Cb 0.21 -1.48 0.07 0.00 -0.02 0.00 0.00 31.44 30.21 1yjx n GLU 19 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1yjx n ASN 20 N -0.04 -3.25 -4.52 1.62 4.05 -0.43 -4.88 115.26 107.82 1yjx n ASN 20 Ca 0.13 -0.67 -0.26 0.00 0.45 0.00 0.00 54.58 54.24 1yjx n ASN 20 Cb 0.41 -4.70 -0.10 0.00 1.23 0.00 0.00 39.78 36.63 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 1.85 -0.08 1.20 0.52 -0.35 -0.62 118.95 115.56 1yjx s ARG 21 Ca 0.23 -1.47 -0.30 0.00 -0.52 0.00 0.00 55.73 53.67 1yjx s ARG 21 Cb -0.11 -1.99 -0.02 0.00 0.52 0.00 0.00 34.95 33.36 1yjx s ARG 21 CO 0.76 0.39 1.06 -0.06 0.02 0.00 0.00 175.30 177.48 1yjx s PHE 22 N -1.94 3.43 -0.21 -0.53 0.08 -0.56 -4.63 117.98 113.62 1yjx s PHE 22 Ca 0.26 1.49 -0.16 0.00 0.12 0.00 0.00 56.93 58.64 1yjx s PHE 22 Cb -0.07 -3.26 -0.09 0.00 -0.57 0.00 0.00 43.02 39.03 1yjx s PHE 22 CO 0.14 -0.54 -0.23 0.43 -0.10 0.00 0.00 175.22 174.92 1yjx n SER 23 N 4.95 1.91 0.00 1.36 7.64 -1.26 0.12 113.62 128.33 1yjx n SER 23 Ca 0.09 0.41 0.00 0.00 1.01 0.00 0.00 58.87 60.38 1yjx n SER 23 Cb 0.48 -0.83 0.00 0.00 -1.01 0.00 0.00 64.21 62.85 1yjx n SER 23 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1yjx n GLY 24 N 1.43 4.18 0.23 0.23 0.00 -1.26 -0.59 105.19 109.40 1yjx n GLY 24 Ca -0.27 0.10 0.15 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.95 1.61 7.02 -1.26 -4.59 117.44 132.28 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 -0.04 -0.02 0.00 -2.42 0.00 0.00 31.31 28.83 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 -2.11 3.00 -1.00 -5.99 5.04 0.24 -4.84 117.35 111.69 1yjx s TYR 26 Ca 0.39 0.83 -0.08 0.00 -2.44 0.00 0.00 57.07 55.77 1yjx s TYR 26 Cb 0.21 -3.90 -0.15 0.00 0.35 0.00 0.00 41.96 38.48 1yjx s TYR 26 CO 0.38 -3.10 3.08 -3.47 -1.34 0.00 0.00 175.55 171.10 1yjx n ASP 27 N 2.97 7.13 -4.77 4.32 2.03 -1.26 -4.94 116.55 122.04 1yjx n ASP 27 Ca 0.10 -2.50 -0.39 0.00 0.52 0.00 0.00 54.79 52.51 1yjx n ASP 27 Cb 0.39 -1.45 -0.00 0.00 -0.72 0.00 0.00 41.12 39.34 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 1.89 3.26 0.55 -1.67 0.00 -1.26 -4.76 121.76 119.76 1yjx s ALA 28 Ca 0.65 1.23 -0.02 0.00 0.00 0.00 0.00 51.96 53.83 1yjx s ALA 28 Cb 0.22 -3.49 0.02 0.00 0.00 0.00 0.00 23.12 19.87 1yjx s ALA 28 CO -0.04 -0.82 0.81 0.34 0.00 0.00 0.00 175.76 176.05 1yjx s ASP 29 N -0.74 5.45 0.55 0.00 -1.08 -1.26 -3.48 116.67 116.12 1yjx s ASP 29 Ca 0.57 0.32 -0.19 0.00 -0.52 0.00 0.00 52.55 52.73 1yjx s ASP 29 Cb -0.38 -1.31 -0.05 0.00 -1.46 0.00 0.00 42.92 39.72 1yjx s ASP 29 CO 0.49 -1.06 1.15 -0.76 0.52 0.00 0.00 175.17 175.51 1yjx s LEU 30 N -4.83 3.74 0.56 -1.34 1.43 -1.26 0.11 118.68 117.09 1yjx s LEU 30 Ca 0.54 2.23 -0.04 0.00 -1.03 0.00 0.00 54.13 55.83 1yjx s LEU 30 Cb -0.10 -4.58 0.01 0.00 0.03 0.00 0.00 46.19 41.55 1yjx s LEU 30 CO 0.41 -1.29 0.84 -0.94 0.23 0.00 0.00 176.35 175.60 1yjx s SER 31 N -1.72 5.61 0.26 2.29 1.04 -0.01 -4.41 113.70 116.75 1yjx s SER 31 Ca 0.74 0.58 -0.02 0.00 0.48 0.00 0.00 55.95 57.72 1yjx s SER 31 Cb -0.25 -1.61 0.51 0.00 0.10 0.00 0.00 66.02 64.77 1yjx s SER 31 CO 0.28 -1.00 1.73 -0.65 0.98 0.00 0.00 173.24 174.59 1yjx h PRO 32 N -0.04 0.45 -0.29 4.02 0.11 -1.96 0.77 132.00 135.06 1yjx h PRO 32 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1yjx h PRO 32 Cb 1.26 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 1yjx h PRO 32 CO 0.59 0.30 0.19 0.00 -0.21 0.00 0.00 178.00 178.87 1yjx h ALA 33 N 1.58 0.37 -0.71 -0.75 0.00 -1.92 -0.57 119.26 117.26 1yjx h ALA 33 Ca 0.45 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.36 1yjx h ALA 33 Cb 0.70 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 1yjx h ALA 33 CO -0.42 -0.16 0.47 0.78 0.00 0.00 0.00 179.25 179.92 1yjx h GLY 34 N 0.39 0.98 0.92 0.00 0.00 -1.09 0.45 103.07 104.72 1yjx h GLY 34 Ca 0.11 -0.34 -0.06 0.00 0.00 0.00 0.00 47.33 47.04 1yjx h GLY 34 CO -0.02 0.31 0.01 0.84 0.00 0.00 0.00 176.54 177.67 1yjx h HIS 35 N 0.87 0.69 -0.85 5.60 6.17 -0.33 -2.33 115.15 124.98 1yjx h HIS 35 Ca 0.28 -0.12 0.02 0.00 0.71 0.00 0.00 60.37 61.26 1yjx h HIS 35 Cb 0.03 -0.18 -0.05 0.00 2.52 0.00 0.00 27.41 29.73 1yjx h HIS 35 CO -0.00 0.73 0.56 1.49 0.71 0.00 0.00 177.93 181.42 1yjx h GLU 36 N 0.45 1.06 -0.03 5.26 4.57 0.08 -0.95 114.58 125.02 1yjx h GLU 36 Ca 0.10 -0.06 0.01 0.00 -1.18 0.00 0.00 59.36 58.23 1yjx h GLU 36 Cb 0.45 -0.24 -0.01 0.00 -0.16 0.00 0.00 28.75 28.79 1yjx h GLU 36 CO 0.02 0.70 -0.03 0.93 -1.18 0.00 0.00 179.01 179.45 1yjx h GLU 37 N 1.09 -0.03 -0.57 1.92 5.08 -0.61 -0.57 114.58 120.89 1yjx h GLU 37 Ca 0.33 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.74 1yjx h GLU 37 Cb -0.04 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.17 1yjx h GLU 37 CO -0.09 -0.02 0.29 0.00 -1.00 0.00 0.00 179.01 178.20 1yjx h ALA 38 N 1.00 0.74 -0.66 3.43 0.00 -0.84 -0.96 119.26 121.98 1yjx h ALA 38 Ca 0.02 0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.03 1yjx h ALA 38 Cb 0.06 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.72 1yjx h ALA 38 CO -0.05 -0.05 0.34 -0.22 0.00 0.00 0.00 179.25 179.27 1yjx h LYS 39 N 0.56 0.60 -0.43 0.00 3.64 -0.57 0.29 116.57 120.66 1yjx h LYS 39 Ca 0.26 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 59.47 1yjx h LYS 39 Cb 0.17 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 1yjx h LYS 39 CO -0.18 0.39 -0.25 0.00 -2.27 0.00 0.00 179.45 177.15 1yjx h ARG 40 N 0.61 0.93 -0.75 1.90 3.08 -0.32 -1.80 114.38 118.05 1yjx h ARG 40 Ca 0.31 -0.43 0.02 0.00 0.07 0.00 0.00 59.98 59.95 1yjx h ARG 40 Cb 0.26 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.25 1yjx h ARG 40 CO -0.22 1.09 0.48 0.78 -1.07 0.00 0.00 179.97 181.03 1yjx h GLY 41 N 0.77 1.06 0.86 0.04 0.00 -0.55 -0.14 103.07 105.11 1yjx h GLY 41 Ca 0.09 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 47.05 1yjx h GLY 41 CO 0.07 0.34 -0.10 -1.33 0.00 0.00 0.00 176.54 175.52 1yjx h GLY 42 N 0.96 -0.20 0.02 4.60 0.00 -0.79 -1.66 103.07 106.00 1yjx h GLY 42 Ca 0.29 0.11 0.21 0.00 0.00 0.00 0.00 47.33 47.95 1yjx h GLY 42 CO -0.09 -0.11 0.61 0.06 0.00 0.00 0.00 176.54 177.02 1yjx h GLN 43 N -0.22 0.65 -0.06 4.80 -0.00 -0.41 0.27 115.11 120.14 1yjx h GLN 43 Ca 0.01 -0.04 -0.00 0.00 -0.00 0.00 0.00 58.65 58.62 1yjx h GLN 43 Cb 0.22 -0.15 -0.00 0.00 -0.00 0.00 0.00 27.48 27.55 1yjx h GLN 43 CO -0.03 0.43 0.03 0.00 -0.00 0.00 0.00 178.83 179.26 1yjx h ALA 44 N 1.67 0.07 -0.85 0.06 0.00 -0.27 0.73 119.26 120.67 1yjx h ALA 44 Ca 0.60 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.44 1yjx h ALA 44 Cb 1.06 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 1yjx h ALA 44 CO -0.40 -0.37 0.49 -0.07 0.00 0.00 0.00 179.25 178.90 1yjx h LEU 45 N -0.03 1.03 -0.29 0.00 3.38 0.02 0.36 115.31 119.79 1yjx h LEU 45 Ca 0.02 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1yjx h LEU 45 Cb 0.12 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1yjx h LEU 45 CO -0.00 0.81 0.14 -0.09 0.09 0.00 0.00 178.44 179.38 1yjx h ARG 46 N 1.18 0.41 -0.48 1.13 1.12 -0.22 -0.38 114.38 117.14 1yjx h ARG 46 Ca 0.30 -0.06 -0.09 0.00 -1.11 0.00 0.00 59.98 59.02 1yjx h ARG 46 Cb -0.02 -0.07 -0.02 0.00 -0.01 0.00 0.00 29.97 29.85 1yjx h ARG 46 CO -0.05 0.40 -0.06 -0.44 -3.11 0.00 0.00 179.97 176.71 1yjx h ASP 47 N 0.33 0.82 0.19 -3.80 3.32 -0.38 -0.99 116.42 115.92 1yjx h ASP 47 Ca 0.10 -0.23 0.00 0.00 0.02 0.00 0.00 57.03 56.92 1yjx h ASP 47 Cb 0.12 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.45 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 -2.48 2.45 -3.31 3.45 0.00 0.07 -4.90 120.51 115.79 1yjx n ALA 48 Ca 0.02 -0.15 -0.23 0.00 0.00 0.00 0.00 53.44 53.08 1yjx n ALA 48 Cb 0.34 -1.44 0.06 0.00 0.00 0.00 0.00 19.45 18.41 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 0.81 -0.51 3.77 0.00 0.00 -0.28 -4.97 105.19 104.01 1yjx n GLY 49 Ca 0.18 0.18 -0.38 0.00 0.00 0.00 0.00 46.02 46.01 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 -3.25 3.22 -0.02 1.61 1.51 -0.46 -5.03 117.35 114.92 1yjx s TYR 50 Ca 0.45 1.62 0.04 0.00 -1.01 0.00 0.00 57.07 58.17 1yjx s TYR 50 Cb -0.20 -3.24 -0.01 0.00 -0.11 0.00 0.00 41.96 38.40 1yjx s TYR 50 CO 0.56 -0.88 -0.15 -1.21 -1.11 0.00 0.00 175.55 172.75 1yjx s GLU 51 N -2.32 1.40 0.33 -0.62 2.02 -1.26 -4.87 118.70 113.37 1yjx s GLU 51 Ca 0.56 -0.55 0.08 0.00 0.02 0.00 0.00 54.97 55.08 1yjx s GLU 51 Cb -0.26 -1.30 -0.06 0.00 0.10 0.00 0.00 34.13 32.61 1yjx s GLU 51 CO 0.33 0.28 -0.05 -0.06 0.02 0.00 0.00 175.26 175.78 1yjx s PHE 52 N -0.18 2.21 0.00 1.61 0.40 -1.26 -4.81 117.98 115.95 1yjx s PHE 52 Ca 0.02 -0.64 0.00 0.00 -0.60 0.00 0.00 56.93 55.71 1yjx s PHE 52 Cb -0.08 -1.33 0.00 0.00 0.51 0.00 0.00 43.02 42.12 1yjx s PHE 52 CO 0.00 0.40 0.00 -0.25 0.70 0.00 0.00 175.22 176.07 1yjx n ASP 53 N -0.73 4.91 -3.60 1.36 8.00 0.28 -4.91 116.55 121.87 1yjx n ASP 53 Ca -0.05 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.29 1yjx n ASP 53 Cb 0.64 0.90 -0.07 0.00 -0.02 0.00 0.00 41.12 42.57 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 -1.97 0.01 0.07 0.53 2.07 -1.22 -4.27 121.20 116.41 1yjx s ILE 54 Ca 0.00 -0.06 0.08 0.00 -1.41 0.00 0.00 60.65 59.27 1yjx s ILE 54 Cb 0.00 -0.92 -0.03 0.00 0.13 0.00 0.00 42.46 41.64 1yjx s ILE 54 CO 0.00 -0.03 -0.22 0.00 -1.91 0.00 0.00 174.94 172.78 1yjx s PHE 56 N -0.92 1.31 0.30 0.00 0.40 -0.53 -0.12 117.98 118.42 1yjx s PHE 56 Ca 0.08 -0.37 -0.04 0.00 -0.60 0.00 0.00 56.93 56.00 1yjx s PHE 56 Cb -0.09 -0.91 -0.01 0.00 0.51 0.00 0.00 43.02 42.52 1yjx s PHE 56 CO 0.03 -0.15 0.43 -0.08 0.70 0.00 0.00 175.22 176.14 1yjx s THR 57 N 0.21 0.00 0.00 0.64 -1.32 -0.41 -1.43 115.64 113.33 1yjx s THR 57 Ca -0.05 -1.62 0.00 0.00 -1.21 0.00 0.00 61.69 58.81 1yjx s THR 57 Cb -0.11 -2.52 0.00 0.00 -1.51 0.00 0.00 72.50 68.36 1yjx s THR 57 CO 0.02 0.00 0.00 -1.54 -2.21 0.00 0.00 174.62 170.89 1yjx n SER 58 N -1.04 0.00 -1.15 8.08 3.41 -1.25 -1.22 113.62 120.45 1yjx n SER 58 Ca 0.01 -0.60 0.00 0.00 -0.26 0.00 0.00 58.87 58.02 1yjx n SER 58 Cb 0.62 0.00 0.23 0.00 -0.26 0.00 0.00 64.21 64.80 1yjx n SER 58 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1yjx n VAL 59 N -1.12 2.50 -4.66 -3.33 0.24 -1.24 -3.99 118.33 106.73 1yjx n VAL 59 Ca 0.00 -2.26 -0.33 0.00 -2.04 0.00 0.00 64.34 59.71 1yjx n VAL 59 Cb 0.00 -0.30 -0.13 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 -3.06 3.41 0.08 7.34 -0.21 -1.26 -5.04 119.66 120.92 1yjx s GLN 60 Ca 0.45 -0.63 -0.16 0.00 0.02 0.00 0.00 55.36 55.04 1yjx s GLN 60 Cb 0.38 -2.71 -0.04 0.00 1.00 0.00 0.00 33.01 31.65 1yjx s GLN 60 CO 0.05 0.26 1.21 1.63 -2.12 0.00 0.00 175.29 176.33 1yjx n LYS 61 N 3.41 -0.23 -0.38 2.91 5.02 -1.26 -1.52 118.16 126.11 1yjx n LYS 61 Ca -0.18 1.20 0.30 0.00 -2.02 0.00 0.00 58.31 57.60 1yjx n LYS 61 Cb 0.53 -1.77 0.57 0.00 -0.02 0.00 0.00 35.03 34.33 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 -1.89 0.88 114.38 115.68 1yjx h ARG 62 Ca 0.08 -0.01 -0.01 0.00 0.10 0.00 0.00 59.98 60.14 1yjx h ARG 62 Cb 0.21 -0.05 -0.00 0.00 1.11 0.00 0.00 29.97 31.24 1yjx h ARG 62 CO -0.49 0.15 -0.08 0.00 0.10 0.00 0.00 179.97 179.65 1yjx h ALA 63 N 1.66 0.01 -0.32 0.08 0.00 -1.62 -2.94 119.26 116.13 1yjx h ALA 63 Ca 0.73 -0.41 0.07 0.00 0.00 0.00 0.00 54.91 55.30 1yjx h ALA 63 Cb 2.04 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 19.81 1yjx h ALA 63 CO -0.42 0.05 -0.11 0.82 0.00 0.00 0.00 179.25 179.59 1yjx h ILE 64 N -1.00 0.60 -0.55 0.00 2.04 -0.14 0.94 117.51 119.41 1yjx h ILE 64 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.85 1yjx h ILE 64 Cb 0.74 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 37.40 1yjx h ILE 64 CO -0.01 0.00 0.36 -0.09 0.00 0.00 0.00 178.15 178.41 1yjx h ARG 65 N -0.05 0.72 -0.38 2.37 2.43 0.59 0.10 114.38 120.16 1yjx h ARG 65 Ca 0.16 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.27 1yjx h ARG 65 Cb 0.29 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.66 1yjx h ARG 65 CO -0.36 0.48 0.16 1.15 -1.51 0.00 0.00 179.97 179.89 1yjx h THR 66 N 0.74 1.19 0.17 0.20 2.02 -0.86 -0.39 112.91 115.98 1yjx h THR 66 Ca 0.20 -0.56 0.01 0.00 0.77 0.00 0.00 66.41 66.82 1yjx h THR 66 Cb -0.08 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 1yjx h THR 66 CO -0.04 0.20 -0.18 0.25 0.37 0.00 0.00 175.52 176.12 1yjx h LEU 67 N 0.48 -0.48 -0.36 2.58 6.46 0.54 -1.06 115.31 123.46 1yjx h LEU 67 Ca 0.13 0.05 0.08 0.00 -0.12 0.00 0.00 57.88 58.01 1yjx h LEU 67 Cb 0.17 0.17 -0.07 0.00 -0.73 0.00 0.00 40.66 40.20 1yjx h LEU 67 CO -0.01 -0.27 -0.12 -0.50 -0.62 0.00 0.00 178.44 176.92 1yjx h TRP 68 N -0.38 -0.26 -0.72 1.25 4.06 -0.69 0.20 115.95 119.40 1yjx h TRP 68 Ca 0.01 0.04 0.04 0.00 2.06 0.00 0.00 58.89 61.03 1yjx h TRP 68 Cb 0.37 0.17 -0.05 0.00 -1.00 0.00 0.00 29.16 28.65 1yjx h TRP 68 CO -0.15 -0.19 0.44 1.15 -3.56 0.00 0.00 178.44 176.13 1yjx h THR 69 N -0.04 1.05 -0.03 1.49 2.02 -0.74 0.38 112.91 117.05 1yjx h THR 69 Ca 0.18 -0.28 -0.00 0.00 0.77 0.00 0.00 66.41 67.07 1yjx h THR 69 Cb 0.31 0.15 -0.00 0.00 -1.74 0.00 0.00 68.15 66.86 1yjx h THR 69 CO -0.40 0.15 0.00 0.58 0.37 0.00 0.00 175.52 176.23 1yjx h VAL 70 N 0.83 1.22 -0.99 3.16 2.07 -0.18 -0.86 116.25 121.50 1yjx h VAL 70 Ca 0.30 -0.66 0.09 0.00 0.82 0.00 0.00 66.70 67.25 1yjx h VAL 70 Cb 0.10 1.62 -0.07 0.00 -1.52 0.00 0.00 31.29 31.41 1yjx h VAL 70 CO -0.14 0.18 0.63 -0.07 0.02 0.00 0.00 177.57 178.18 1yjx h LEU 71 N -0.22 0.97 -0.11 2.57 3.38 -0.33 -0.79 115.31 120.78 1yjx h LEU 71 Ca 0.01 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1yjx h LEU 71 Cb 0.28 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 1yjx h LEU 71 CO 0.00 0.58 0.04 -0.78 0.09 0.00 0.00 178.44 178.37 1yjx h ASP 72 N 1.08 0.14 -0.97 -0.43 -0.00 -0.72 0.34 116.42 115.86 1yjx h ASP 72 Ca 0.45 -0.15 0.08 0.00 -0.00 0.00 0.00 57.03 57.41 1yjx h ASP 72 Cb 0.30 -0.04 -0.07 0.00 -0.00 0.00 0.00 39.33 39.52 1yjx h ASP 72 CO -0.21 0.26 0.62 0.00 -0.00 0.00 0.00 179.24 179.90 1yjx h ALA 73 N 0.89 1.37 -0.50 -0.78 0.00 -0.21 -2.21 119.26 117.82 1yjx h ALA 73 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1yjx h ALA 73 Cb 0.16 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1yjx h ALA 73 CO -0.00 0.36 0.00 0.44 0.00 0.00 0.00 179.25 180.05 1yjx n ILE 74 N -4.55 2.17 -3.94 0.00 -5.35 -0.39 -4.81 119.36 102.49 1yjx n ILE 74 Ca 0.15 -1.14 -0.34 0.00 -0.27 0.00 0.00 62.75 61.15 1yjx n ILE 74 Cb 0.22 -0.24 0.00 0.00 -1.74 0.00 0.00 39.64 37.87 1yjx n ILE 74 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 1yjx n ASP 75 N 0.60 -2.92 -2.82 7.28 4.64 -0.80 -4.90 116.55 117.63 1yjx n ASP 75 Ca 0.23 -1.13 -0.00 0.00 -1.38 0.00 0.00 54.79 52.51 1yjx n ASP 75 Cb 1.00 -2.61 0.05 0.00 -1.04 0.00 0.00 41.12 38.52 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 1.70 0.20 -0.67 6.02 0.04 -4.87 117.38 115.27 1yjx n GLN 76 Ca -0.18 -3.37 0.14 0.00 -0.01 0.00 0.00 57.00 53.58 1yjx n GLN 76 Cb 0.62 -1.48 0.66 0.00 1.02 0.00 0.00 30.24 31.05 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 2.51 0.00 0.00 -1.09 2.86 -1.91 -2.07 114.93 115.23 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 1.28 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.94 1yjx h MET 77 CO 0.16 0.00 -0.05 -2.67 1.06 0.00 0.00 176.91 175.41 1yjx n TRP 78 N -2.53 0.05 -1.81 -0.22 4.27 -1.26 -4.88 117.44 111.06 1yjx n TRP 78 Ca 0.00 0.01 -0.39 0.00 -3.89 0.00 0.00 57.50 53.24 1yjx n TRP 78 Cb 0.17 -0.50 0.03 0.00 -1.36 0.00 0.00 31.31 29.65 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 -3.08 3.97 0.27 5.67 1.43 -0.78 -4.94 118.68 121.21 1yjx s LEU 79 Ca 0.14 2.82 -0.30 0.00 -1.03 0.00 0.00 54.13 55.76 1yjx s LEU 79 Cb 0.19 -4.12 -0.09 0.00 0.03 0.00 0.00 46.19 42.19 1yjx s LEU 79 CO 0.55 -1.38 1.10 -2.16 0.23 0.00 0.00 176.35 174.69 1yjx s PRO 80 N -2.70 4.64 0.03 1.29 0.04 -1.26 -4.90 135.00 132.15 1yjx s PRO 80 Ca 0.67 1.79 0.07 0.00 0.04 0.00 0.00 61.00 63.56 1yjx s PRO 80 Cb -0.41 -3.20 -0.02 0.00 0.04 0.00 0.00 34.50 30.90 1yjx s PRO 80 CO 0.51 0.20 -0.19 0.14 0.04 0.00 0.00 177.00 177.70 1yjx s VAL 81 N -1.05 1.53 -0.13 -0.36 -7.23 -1.26 -1.21 120.40 110.68 1yjx s VAL 81 Ca 0.45 -1.09 0.02 0.00 -1.81 0.00 0.00 61.98 59.55 1yjx s VAL 81 Cb -0.32 -1.33 0.01 0.00 0.56 0.00 0.00 36.38 35.31 1yjx s VAL 81 CO 0.40 0.21 -0.19 -0.69 -0.31 0.00 0.00 175.10 174.52 1yjx s VAL 82 N -0.74 1.85 -0.02 1.32 1.01 0.83 -4.95 120.40 119.70 1yjx s VAL 82 Ca 0.06 -0.85 -0.03 0.00 0.00 0.00 0.00 61.98 61.17 1yjx s VAL 82 Cb -0.08 -1.65 -0.04 0.00 0.00 0.00 0.00 36.38 34.60 1yjx s VAL 82 CO 0.01 0.51 0.16 -0.13 0.00 0.00 0.00 175.10 175.65 1yjx s ARG 83 N 0.92 3.35 -0.22 2.72 0.52 -1.26 -1.29 118.95 123.69 1yjx s ARG 83 Ca -0.06 -0.34 -0.17 0.00 -0.52 0.00 0.00 55.73 54.64 1yjx s ARG 83 Cb -0.15 -3.05 0.06 0.00 0.52 0.00 0.00 34.95 32.33 1yjx s ARG 83 CO -0.03 0.68 0.57 -0.08 0.02 0.00 0.00 175.30 176.46 1yjx s THR 84 N -1.27 -0.01 0.43 0.02 -1.32 -0.36 -4.95 115.64 108.19 1yjx s THR 84 Ca 0.25 0.02 0.35 0.00 -1.21 0.00 0.00 61.69 61.11 1yjx s THR 84 Cb -0.12 -0.82 0.38 0.00 -1.51 0.00 0.00 72.50 70.43 1yjx s THR 84 CO 0.17 0.01 2.17 4.11 -2.21 0.00 0.00 174.62 178.86 1yjx h TRP 85 N 6.08 0.00 0.00 9.09 5.08 -1.89 -2.26 115.95 132.06 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 0.04 0.00 0.54 -1.28 0.00 0.00 178.44 178.01 1yjx n ARG 86 N -3.31 0.14 -0.22 0.12 1.74 -1.26 -0.25 116.66 113.64 1yjx n ARG 86 Ca -0.02 0.55 0.09 0.00 -0.77 0.00 0.00 57.85 57.71 1yjx n ARG 86 Cb 0.19 -1.89 0.21 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 -2.19 3.28 -4.64 0.55 4.77 -0.85 -4.02 117.00 113.90 1yjx n LEU 87 Ca -0.00 -1.73 -0.31 0.00 -0.03 0.00 0.00 56.01 53.94 1yjx n LEU 87 Cb 0.10 -0.28 0.18 0.00 -2.33 0.00 0.00 43.42 41.08 1yjx n LEU 87 CO 0.12 0.77 0.65 0.59 -1.33 0.00 0.00 177.39 178.19 1yjx n ASN 88 N 1.15 0.07 -4.74 -1.43 4.13 0.66 -4.22 115.26 110.88 1yjx n ASN 88 Ca 0.17 0.35 -0.31 0.00 1.68 0.00 0.00 54.58 56.46 1yjx n ASN 88 Cb 0.52 -1.45 0.11 0.00 -1.54 0.00 0.00 39.78 37.42 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 -4.61 1.88 0.29 3.52 2.56 -1.26 -4.35 118.70 116.73 1yjx s GLU 89 Ca 0.67 1.31 -0.30 0.00 0.00 0.00 0.00 54.97 56.66 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 -1.95 1.45 0.50 -0.56 0.00 0.00 175.26 175.29 1yjx s ARG 90 N -4.77 4.24 -0.09 4.30 3.52 -1.26 -4.63 118.95 120.26 1yjx s ARG 90 Ca 0.63 2.37 -0.30 0.00 -0.13 0.00 0.00 55.73 58.31 1yjx s ARG 90 Cb -0.19 -3.07 -0.04 0.00 -1.56 0.00 0.00 34.95 30.09 1yjx s ARG 90 CO 0.56 -0.43 1.40 -1.58 -0.81 0.00 0.00 175.30 174.44 1yjx s HIS 91 N -0.33 2.62 -0.80 5.12 5.65 -1.26 -4.21 115.29 122.07 1yjx s HIS 91 Ca 0.57 0.74 0.08 0.00 0.25 0.00 0.00 55.06 56.71 1yjx s HIS 91 Cb -0.43 -3.65 0.44 0.00 -1.18 0.00 0.00 32.58 27.75 1yjx s HIS 91 CO 0.48 -2.47 1.20 0.66 -0.65 0.00 0.00 174.74 173.96 1yjx n TYR 92 N 6.40 1.06 -1.11 3.88 4.01 -1.26 -1.17 117.16 128.96 1yjx n TYR 92 Ca 0.14 -0.38 0.00 0.00 -0.16 0.00 0.00 57.90 57.51 1yjx n TYR 92 Cb 0.44 -0.28 0.00 0.00 -0.31 0.00 0.00 39.34 39.19 1yjx n TYR 92 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1yjx n GLY 93 N 0.46 1.49 0.34 2.72 0.00 -1.25 -1.62 105.19 107.33 1yjx n GLY 93 Ca 0.15 -0.36 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 -0.71 -0.07 103.07 104.27 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 -9.34 3.11 3.38 -1.53 -3.44 115.31 107.50 1yjx h LEU 95 Ca 0.04 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 57.37 1yjx h LEU 95 Cb 0.46 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.25 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 -2.63 0.16 0.00 0.22 -1.04 -0.04 -1.12 114.28 109.83 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 -1.34 0.00 0.00 -1.82 0.00 0.00 70.33 67.42 1yjx n THR 96 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1yjx n GLY 97 N 3.47 3.05 3.78 3.41 0.00 0.12 -4.91 105.19 114.11 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 3.63 -0.04 0.99 1.43 -0.28 -4.63 118.68 119.78 1yjx s LEU 98 Ca 0.00 2.07 -0.30 0.00 -1.03 0.00 0.00 54.13 54.87 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 -1.30 1.02 0.21 0.23 0.00 0.00 176.35 176.51 1yjx s ASN 99 N -2.11 7.28 0.21 2.29 3.84 -1.26 -1.50 114.94 123.69 1yjx s ASN 99 Ca 0.70 1.65 -0.09 0.00 0.21 0.00 0.00 52.86 55.33 1yjx s ASN 99 Cb -0.22 -2.56 0.23 0.00 -0.55 0.00 0.00 41.25 38.15 1yjx s ASN 99 CO 0.31 -0.36 1.82 0.11 -2.79 0.00 0.00 177.10 176.18 1yjx h LYS 100 N 6.95 0.70 -0.40 0.43 1.57 -1.21 -0.07 116.57 124.54 1yjx h LYS 100 Ca -0.37 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.36 1yjx h LYS 100 Cb 1.19 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 33.32 1yjx h LYS 100 CO 0.80 0.46 0.21 0.00 -0.57 0.00 0.00 179.45 180.35 1yjx h ALA 101 N 1.34 0.52 -0.53 3.86 0.00 -1.93 -1.14 119.26 121.38 1yjx h ALA 101 Ca 0.30 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 1yjx h ALA 101 Cb 0.15 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1yjx h ALA 101 CO -0.17 0.05 0.02 0.93 0.00 0.00 0.00 179.25 180.08 1yjx h GLU 102 N 0.52 0.92 -0.89 0.00 5.08 -1.86 -1.56 114.58 116.78 1yjx h GLU 102 Ca 0.14 -0.28 0.02 0.00 -1.00 0.00 0.00 59.36 58.24 1yjx h GLU 102 Cb 0.08 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.19 1yjx h GLU 102 CO -0.02 0.93 0.58 1.15 -1.00 0.00 0.00 179.01 180.65 1yjx h THR 103 N 0.79 1.18 -0.54 1.13 2.02 -0.77 0.70 112.91 117.43 1yjx h THR 103 Ca 0.15 -0.40 -0.06 0.00 0.77 0.00 0.00 66.41 66.87 1yjx h THR 103 Cb 0.50 -0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 66.82 1yjx h THR 103 CO 0.02 0.21 0.08 0.00 0.37 0.00 0.00 175.52 176.21 1yjx h ALA 104 N 1.35 1.13 -0.36 6.16 0.00 -0.92 -0.74 119.26 125.88 1yjx h ALA 104 Ca 0.34 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 1yjx h ALA 104 Cb -0.06 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1yjx h ALA 104 CO -0.10 0.57 -0.05 0.00 0.00 0.00 0.00 179.25 179.68 1yjx h ALA 105 N 1.27 0.49 0.09 0.00 0.00 -0.12 2.46 119.26 123.45 1yjx h ALA 105 Ca 0.17 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1yjx h ALA 105 Cb 0.37 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1yjx h ALA 105 CO 0.01 0.30 -0.04 1.57 0.00 0.00 0.00 179.25 181.09 1yjx h LYS 106 N 0.47 -0.12 0.00 0.00 -0.00 -0.78 -3.35 116.57 112.78 1yjx h LYS 106 Ca 0.10 0.01 0.00 0.00 -0.00 0.00 0.00 60.65 60.75 1yjx h LYS 106 Cb 0.53 0.03 0.00 0.00 -0.00 0.00 0.00 32.23 32.79 1yjx h LYS 106 CO 0.03 0.35 -0.65 0.72 -0.00 0.00 0.00 179.45 179.90 1yjx n HIS 107 N -4.91 0.00 0.00 0.07 8.25 -0.30 -5.08 115.22 113.26 1yjx n HIS 107 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 1yjx n HIS 107 Cb 0.26 -0.18 0.00 0.00 1.12 0.00 0.00 29.99 31.20 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 1.50 -1.49 0.39 -1.41 0.00 0.83 -4.21 105.19 100.79 1yjx n GLY 108 Ca 0.05 -1.51 -0.16 0.00 0.00 0.00 0.00 46.02 44.40 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 -0.73 -0.52 1.61 4.39 -1.93 -1.86 114.58 115.53 1yjx h GLU 109 Ca 0.00 0.05 0.06 0.00 0.34 0.00 0.00 59.36 59.81 1yjx h GLU 109 Cb 0.00 0.17 -0.09 0.00 -0.10 0.00 0.00 28.75 28.73 1yjx h GLU 109 CO 0.00 -0.49 -0.55 0.00 -1.16 0.00 0.00 179.01 176.81 1yjx h ALA 110 N -0.32 -0.71 -0.56 3.43 0.00 -1.94 0.17 119.26 119.33 1yjx h ALA 110 Ca -0.03 0.03 0.08 0.00 0.00 0.00 0.00 54.91 54.99 1yjx h ALA 110 Cb 0.68 1.16 -0.06 0.00 0.00 0.00 0.00 17.79 19.56 1yjx h ALA 110 CO -0.06 -1.02 0.23 0.37 0.00 0.00 0.00 179.25 178.77 1yjx h GLN 111 N -0.32 0.42 -0.37 0.00 5.75 -1.70 -2.09 115.11 116.80 1yjx h GLN 111 Ca 0.10 -0.02 -0.10 0.00 -0.15 0.00 0.00 58.65 58.47 1yjx h GLN 111 Cb 0.56 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 29.00 1yjx h GLN 111 CO -0.66 0.27 -0.17 0.28 -2.65 0.00 0.00 178.83 175.90 1yjx h VAL 112 N 0.43 1.26 -0.87 2.39 2.07 -0.41 -1.92 116.25 119.20 1yjx h VAL 112 Ca 0.27 -1.22 -0.02 0.00 0.82 0.00 0.00 66.70 66.56 1yjx h VAL 112 Cb 0.29 1.16 -0.04 0.00 -1.52 0.00 0.00 31.29 31.18 1yjx h VAL 112 CO -0.25 0.40 0.47 0.11 0.02 0.00 0.00 177.57 178.32 1yjx h LYS 113 N 0.61 1.22 0.81 1.57 6.56 -0.20 -0.32 116.57 126.83 1yjx h LYS 113 Ca 0.10 -0.15 -0.04 0.00 -1.06 0.00 0.00 60.65 59.51 1yjx h LYS 113 Cb 0.63 -0.24 -0.00 0.00 -0.57 0.00 0.00 32.23 32.05 1yjx h LYS 113 CO 0.04 0.89 -0.50 0.82 -2.06 0.00 0.00 179.45 178.65 1yjx h ILE 114 N 1.22 0.00 -0.55 1.86 1.08 -1.01 1.31 117.51 121.42 1yjx h ILE 114 Ca 0.31 0.00 0.16 0.00 -0.39 0.00 0.00 64.86 64.94 1yjx h ILE 114 Cb 0.04 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 33.77 1yjx h ILE 114 CO -0.05 0.00 0.45 -0.50 -0.69 0.00 0.00 178.15 177.37 1yjx h TRP 115 N -1.23 0.00 0.00 1.37 6.55 -0.94 -0.73 115.95 120.97 1yjx h TRP 115 Ca -0.11 0.00 -0.29 0.00 0.95 0.00 0.00 58.89 59.45 1yjx h TRP 115 Cb 0.98 0.00 -0.05 0.00 -0.86 0.00 0.00 29.16 29.23 1yjx h TRP 115 CO -0.10 0.00 -2.08 0.54 -1.05 0.00 0.00 178.44 175.75 1yjx n ARG 116 N -4.09 0.86 0.00 0.49 1.74 -0.17 -4.68 116.66 110.81 1yjx n ARG 116 Ca 0.10 0.07 0.08 0.00 -0.77 0.00 0.00 57.85 57.34 1yjx n ARG 116 Cb 0.68 -1.39 -0.00 0.00 -1.02 0.00 0.00 32.46 30.73 1yjx n ARG 116 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1yjx n ARG 117 N -2.89 1.61 -2.69 5.56 1.74 0.45 -4.98 116.66 115.45 1yjx n ARG 117 Ca -0.31 -0.84 -0.32 0.00 -0.77 0.00 0.00 57.85 55.60 1yjx n ARG 117 Cb 0.91 -1.31 -0.05 0.00 -1.02 0.00 0.00 32.46 30.99 1yjx n ARG 117 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1yjx s SER 118 N -1.98 6.79 0.01 0.55 1.04 -0.29 -4.88 113.70 114.93 1yjx s SER 118 Ca 0.14 1.58 -0.18 0.00 0.48 0.00 0.00 55.95 57.98 1yjx s SER 118 Cb 0.14 -2.50 -0.33 0.00 0.10 0.00 0.00 66.02 63.42 1yjx s SER 118 CO 0.43 -0.44 0.98 0.22 0.98 0.00 0.00 173.24 175.41 1yjx h TYR 119 N 1.53 0.84 0.00 5.02 3.20 -1.90 -3.41 116.97 122.25 1yjx h TYR 119 Ca -0.48 -0.60 0.00 0.00 3.14 0.00 0.00 58.73 60.79 1yjx h TYR 119 Cb 1.18 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 39.41 1yjx h TYR 119 CO 0.63 1.46 -0.03 -0.40 -1.64 0.00 0.00 178.16 178.18 1yjx n ASP 120 N -3.88 1.93 -4.37 -2.11 5.68 -1.26 -1.15 116.55 111.39 1yjx n ASP 120 Ca -0.15 -2.43 -0.43 0.00 -0.50 0.00 0.00 54.79 51.27 1yjx n ASP 120 Cb 0.99 -0.20 -0.08 0.00 -1.14 0.00 0.00 41.12 40.68 1yjx n ASP 120 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1yjx s VAL 121 N -1.72 5.02 0.58 2.12 1.01 -1.26 -4.92 120.40 121.23 1yjx s VAL 121 Ca 0.14 -1.09 -0.17 0.00 0.00 0.00 0.00 61.98 60.86 1yjx s VAL 121 Cb 0.12 -3.99 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 1yjx s VAL 121 CO 0.01 -0.53 1.08 -2.16 0.00 0.00 0.00 175.10 173.50 1yjx s PRO 122 N 1.60 3.28 0.97 2.72 0.04 -1.26 -4.72 135.00 137.63 1yjx s PRO 122 Ca 0.04 1.35 -0.14 0.00 0.04 0.00 0.00 61.00 62.28 1yjx s PRO 122 Cb -0.23 -2.02 0.17 0.00 0.04 0.00 0.00 34.50 32.46 1yjx s PRO 122 CO 0.06 -0.86 1.16 -1.25 0.04 0.00 0.00 177.00 176.15 1yjx s PRO 123 N -3.80 0.63 0.48 0.56 0.04 -1.26 -4.95 135.00 126.69 1yjx s PRO 123 Ca 0.67 0.15 -0.23 0.00 0.04 0.00 0.00 61.00 61.62 1yjx s PRO 123 Cb -0.18 -1.79 -0.08 0.00 0.04 0.00 0.00 34.50 32.48 1yjx s PRO 123 CO 0.33 -2.52 1.12 -2.30 0.04 0.00 0.00 177.00 173.68 1yjx n PRO 124 N -3.96 1.47 -1.73 0.56 -0.02 -1.26 -4.79 135.00 125.26 1yjx n PRO 124 Ca 0.09 0.53 -0.35 0.00 -2.02 0.00 0.00 63.50 61.75 1yjx n PRO 124 Cb 0.59 -2.24 0.06 0.00 -0.02 0.00 0.00 33.50 31.89 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 -2.35 2.60 -0.53 0.52 0.02 -1.26 -0.43 135.00 133.56 1yjx s PRO 125 Ca 0.66 1.75 -0.23 0.00 0.02 0.00 0.00 61.00 63.19 1yjx s PRO 125 Cb -0.49 -1.89 0.04 0.00 0.02 0.00 0.00 34.50 32.18 1yjx s PRO 125 CO 0.54 -1.48 0.89 1.41 -0.33 0.00 0.00 177.00 178.03 1yjx s MET 126 N -3.68 3.32 0.55 5.54 1.75 0.28 -3.22 119.30 123.85 1yjx s MET 126 Ca 0.75 -0.32 -0.17 0.00 -1.25 0.00 0.00 55.69 54.69 1yjx s MET 126 Cb -0.29 -4.05 -0.06 0.00 2.84 0.00 0.00 34.83 33.28 1yjx s MET 126 CO 0.39 -1.42 1.05 -1.21 -0.65 0.00 0.00 175.02 173.18 1yjx s GLU 127 N 3.72 3.52 0.57 4.11 0.41 -1.26 -4.91 118.70 124.87 1yjx s GLU 127 Ca 0.29 1.25 0.26 0.00 -0.41 0.00 0.00 54.97 56.35 1yjx s GLU 127 Cb -0.13 -2.06 1.39 0.00 -1.78 0.00 0.00 34.13 31.55 1yjx s GLU 127 CO 0.19 -0.65 1.76 -1.35 -0.49 0.00 0.00 175.26 174.72 1yjx h PRO 128 N 0.87 0.00 -0.48 0.39 0.11 -1.99 0.36 132.00 131.26 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 -2.67 3.31 -4.77 -2.05 5.75 -1.26 -4.80 116.55 110.07 1yjx n ASP 129 Ca -0.02 -1.97 -0.40 0.00 -0.01 0.00 0.00 54.79 52.39 1yjx n ASP 129 Cb 0.36 -0.32 -0.03 0.00 -1.03 0.00 0.00 41.12 40.11 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 -1.37 3.19 0.61 2.11 2.46 0.13 -4.90 115.29 117.52 1yjx s HIS 130 Ca 0.40 1.51 0.28 0.00 0.47 0.00 0.00 55.06 57.72 1yjx s HIS 130 Cb 0.22 -3.53 1.37 0.00 -0.13 0.00 0.00 32.58 30.51 1yjx s HIS 130 CO 0.30 -1.43 1.78 -1.35 -2.47 0.00 0.00 174.74 171.58 1yjx h PRO 131 N 3.39 0.00 -0.07 2.88 0.11 -1.92 -1.27 132.00 135.12 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 -3.48 0.16 0.13 0.65 3.72 -1.26 -4.78 117.46 112.59 1yjx n PHE 132 Ca 0.09 -0.74 -0.12 0.00 -0.05 0.00 0.00 57.45 56.63 1yjx n PHE 132 Cb 0.77 -0.12 -0.07 0.00 -0.94 0.00 0.00 39.48 39.12 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 0.42 -1.10 -0.39 1.38 3.20 -1.50 -0.90 116.97 118.09 1yjx h TYR 133 Ca 0.00 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.89 1yjx h TYR 133 Cb 0.83 0.45 -0.02 0.00 1.54 0.00 0.00 36.73 39.53 1yjx h TYR 133 CO 0.08 -0.46 0.23 0.77 -1.64 0.00 0.00 178.16 177.14 1yjx h SER 134 N -0.62 0.48 -1.00 -2.11 0.02 -1.87 0.26 113.55 108.71 1yjx h SER 134 Ca -0.02 -0.07 0.22 0.00 -0.84 0.00 0.00 61.79 61.09 1yjx h SER 134 Cb 0.59 -0.12 -0.12 0.00 0.14 0.00 0.00 62.40 62.89 1yjx h SER 134 CO -0.16 0.40 0.59 -1.13 -1.14 0.00 0.00 176.83 175.39 1yjx h ASN 135 N 0.51 0.70 0.00 3.07 -0.73 -1.81 -1.37 115.58 115.95 1yjx h ASN 135 Ca 0.14 0.12 0.00 0.00 1.87 0.00 0.00 56.30 58.43 1yjx h ASN 135 Cb 0.02 0.01 0.00 0.00 0.27 0.00 0.00 38.32 38.62 1yjx h ASN 135 CO -0.02 0.16 0.00 -0.38 -0.37 0.00 0.00 177.43 176.82 1yjx n ILE 136 N -4.85 0.00 0.29 2.57 2.08 -0.36 -4.20 119.36 114.89 1yjx n ILE 136 Ca 0.25 0.24 0.18 0.00 0.56 0.00 0.00 62.75 63.98 1yjx n ILE 136 Cb 0.68 -1.12 0.90 0.00 -0.75 0.00 0.00 39.64 39.34 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 -0.50 4.38 4.64 -1.07 -1.19 113.55 119.81 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 -3.15 3.09 -2.38 4.77 4.76 -0.52 -4.97 118.16 119.75 1yjx n LYS 138 Ca -0.01 -2.51 -0.42 0.00 -2.87 0.00 0.00 58.31 52.50 1yjx n LYS 138 Cb 0.33 -1.58 -0.03 0.00 -1.84 0.00 0.00 35.03 31.92 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 -1.10 7.01 0.36 4.39 3.68 -0.45 -4.89 116.67 125.66 1yjx s ASP 139 Ca 0.39 1.97 0.18 0.00 2.13 0.00 0.00 52.55 57.22 1yjx s ASP 139 Cb 0.23 -2.57 1.26 0.00 -1.45 0.00 0.00 42.92 40.40 1yjx s ASP 139 CO 0.21 -0.57 1.58 -0.09 0.13 0.00 0.00 175.17 176.43 1yjx h ARG 140 N 7.27 0.02 -0.99 4.34 2.43 -1.93 -0.36 114.38 125.15 1yjx h ARG 140 Ca -0.38 -0.00 0.36 0.00 -0.81 0.00 0.00 59.98 59.15 1yjx h ARG 140 Cb 1.19 -0.00 -0.17 0.00 -0.42 0.00 0.00 29.97 30.56 1yjx h ARG 140 CO 0.86 0.01 0.45 -0.09 -1.51 0.00 0.00 179.97 179.69 1yjx h ARG 141 N 0.02 0.10 -0.47 0.20 2.43 -1.95 0.32 114.38 115.03 1yjx h ARG 141 Ca 0.81 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.98 1yjx h ARG 141 Cb 2.09 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 31.62 1yjx h ARG 141 CO -0.78 0.06 0.00 0.66 -1.51 0.00 0.00 179.97 178.40 1yjx n TYR 142 N -5.24 1.68 -0.27 2.20 4.01 -0.15 -4.68 117.16 114.71 1yjx n TYR 142 Ca 0.33 -0.77 0.13 0.00 -0.16 0.00 0.00 57.90 57.43 1yjx n TYR 142 Cb 1.09 -0.43 0.40 0.00 -0.31 0.00 0.00 39.34 40.08 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 3.26 1.89 -0.06 -0.72 0.00 -1.02 -2.00 119.26 120.61 1yjx h ALA 143 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1yjx h ALA 143 Cb 1.78 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.47 1yjx h ALA 143 CO 0.39 -0.15 0.00 -0.25 0.00 0.00 0.00 179.25 179.24 1yjx n ASP 144 N -4.57 0.61 -4.74 0.00 8.00 -1.26 -4.84 116.55 109.75 1yjx n ASP 144 Ca 0.18 -1.55 -0.40 0.00 0.71 0.00 0.00 54.79 53.73 1yjx n ASP 144 Cb 0.52 -0.04 -0.05 0.00 -0.02 0.00 0.00 41.12 41.53 1yjx n ASP 144 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1yjx s LEU 145 N -1.54 4.56 1.17 0.64 1.43 -0.75 -5.03 118.68 119.17 1yjx s LEU 145 Ca 0.28 1.81 -0.16 0.00 -1.03 0.00 0.00 54.13 55.03 1yjx s LEU 145 Cb 0.14 -3.54 0.27 0.00 0.03 0.00 0.00 46.19 43.09 1yjx s LEU 145 CO 0.22 0.06 1.06 0.42 0.23 0.00 0.00 176.35 178.34 1yjx s THR 146 N -0.58 1.74 0.37 5.49 -4.23 -1.26 -4.69 115.64 112.47 1yjx s THR 146 Ca 0.43 0.00 0.08 0.00 -1.18 0.00 0.00 61.69 61.02 1yjx s THR 146 Cb -0.24 -2.35 0.16 0.00 1.34 0.00 0.00 72.50 71.41 1yjx s THR 146 CO 0.30 0.00 1.91 -0.33 -0.54 0.00 0.00 174.62 175.95 1yjx h GLU 147 N -2.53 0.32 -0.06 3.99 5.08 -1.95 -2.38 114.58 117.04 1yjx h GLU 147 Ca -0.51 -0.07 -0.20 0.00 -1.00 0.00 0.00 59.36 57.58 1yjx h GLU 147 Cb 1.32 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.53 1yjx h GLU 147 CO 0.44 0.42 -0.81 -0.44 -1.00 0.00 0.00 179.01 177.62 1yjx h ASP 148 N 0.31 0.54 -0.10 1.42 3.32 -2.03 -3.32 116.42 116.55 1yjx h ASP 148 Ca 0.06 -0.38 -0.01 0.00 0.02 0.00 0.00 57.03 56.72 1yjx h ASP 148 Cb 0.35 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.74 1yjx h ASP 148 CO 0.02 1.15 0.01 1.56 -1.72 0.00 0.00 179.24 180.26 1yjx h GLN 149 N 0.29 0.17 -6.07 3.56 4.20 -1.79 -3.41 115.11 112.05 1yjx h GLN 149 Ca -0.05 -0.05 -0.58 0.00 0.06 0.00 0.00 58.65 58.03 1yjx h GLN 149 Cb 1.41 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 29.16 1yjx h GLN 149 CO 0.14 0.40 1.43 -1.17 -0.67 0.00 0.00 178.83 178.95 1yjx s LEU 150 N -9.60 3.51 0.49 1.46 1.98 -0.93 -4.95 118.68 110.63 1yjx s LEU 150 Ca -0.14 1.79 -0.09 0.00 -2.89 0.00 0.00 54.13 52.80 1yjx s LEU 150 Cb 0.05 -3.52 -0.05 0.00 0.66 0.00 0.00 46.19 43.34 1yjx s LEU 150 CO 0.70 -1.85 0.85 -2.16 -1.89 0.00 0.00 176.35 172.00 1yjx s PRO 151 N 6.07 3.66 0.00 0.98 0.04 -1.26 -4.96 135.00 139.53 1yjx s PRO 151 Ca 0.95 0.46 0.12 0.00 0.04 0.00 0.00 61.00 62.57 1yjx s PRO 151 Cb -0.31 -2.30 -0.05 0.00 0.04 0.00 0.00 34.50 31.89 1yjx s PRO 151 CO 0.35 -0.23 0.62 -1.13 0.04 0.00 0.00 177.00 176.65 1yjx n SER 152 N -2.00 1.05 0.00 6.66 3.41 -1.26 -4.98 113.62 116.51 1yjx n SER 152 Ca 0.03 -1.03 0.00 0.00 -0.26 0.00 0.00 58.87 57.61 1yjx n SER 152 Cb 0.54 0.66 0.00 0.00 -0.26 0.00 0.00 64.21 65.15 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 0.34 0.39 0.00 2.02 -0.32 -4.93 118.70 114.21 1yjx s GLU 154 Ca 0.00 -0.10 0.05 0.00 0.02 0.00 0.00 54.97 54.94 1yjx s GLU 154 Cb 0.00 0.15 -0.00 0.00 0.10 0.00 0.00 34.13 34.38 1yjx s GLU 154 CO 0.00 -0.07 0.56 -1.54 0.02 0.00 0.00 175.26 174.23 1yjx s SER 155 N -0.68 5.85 0.21 -0.19 1.04 -1.26 -4.29 113.70 114.37 1yjx s SER 155 Ca -0.08 -0.08 -0.09 0.00 0.48 0.00 0.00 55.95 56.19 1yjx s SER 155 Cb -0.05 -1.22 0.27 0.00 0.10 0.00 0.00 66.02 65.12 1yjx s SER 155 CO 0.01 -0.59 1.78 0.25 0.98 0.00 0.00 173.24 175.66 1yjx h LEU 156 N 0.67 0.39 -1.76 2.42 5.85 -1.75 0.12 115.31 121.26 1yjx h LEU 156 Ca -0.45 0.05 0.16 0.00 0.84 0.00 0.00 57.88 58.49 1yjx h LEU 156 Cb 1.26 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 42.24 1yjx h LEU 156 CO 0.53 0.24 0.47 0.50 -0.34 0.00 0.00 178.44 179.85 1yjx h LYS 157 N 0.54 0.23 0.05 1.25 3.64 -1.48 0.24 116.57 121.06 1yjx h LYS 157 Ca 0.31 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.67 1yjx h LYS 157 Cb 0.30 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 1yjx h LYS 157 CO -0.24 0.15 -0.03 -0.44 -2.27 0.00 0.00 179.45 176.62 1yjx h ASP 158 N 0.24 -0.06 -0.07 4.20 3.32 -1.11 -1.26 116.42 121.68 1yjx h ASP 158 Ca 0.34 -0.55 0.03 0.00 0.02 0.00 0.00 57.03 56.87 1yjx h ASP 158 Cb 0.98 0.02 -0.06 0.00 0.22 0.00 0.00 39.33 40.49 1yjx h ASP 158 CO -0.07 0.55 -0.45 0.74 -1.72 0.00 0.00 179.24 178.29 1yjx h THR 159 N -0.72 0.10 -0.72 0.35 2.02 0.36 -0.73 112.91 113.57 1yjx h THR 159 Ca -0.01 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.31 1yjx h THR 159 Cb 0.60 0.10 -0.09 0.00 -1.74 0.00 0.00 68.15 67.02 1yjx h THR 159 CO 0.01 0.00 0.25 0.40 0.37 0.00 0.00 175.52 176.56 1yjx h ILE 160 N -0.56 0.64 -0.49 3.11 2.04 -0.66 -0.77 117.51 120.81 1yjx h ILE 160 Ca 0.05 -0.13 0.04 0.00 1.00 0.00 0.00 64.86 65.82 1yjx h ILE 160 Cb 0.66 0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 36.93 1yjx h ILE 160 CO -0.37 0.07 0.32 0.00 0.00 0.00 0.00 178.15 178.18 1yjx h ALA 161 N 1.54 1.81 -0.01 1.87 0.00 0.08 -1.31 119.26 123.24 1yjx h ALA 161 Ca 0.39 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1yjx h ALA 161 Cb 0.60 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1yjx h ALA 161 CO -0.41 0.13 -0.47 2.89 0.00 0.00 0.00 179.25 181.39 1yjx n ARG 162 N -4.47 0.58 -0.08 0.00 -4.01 -0.39 -4.37 116.66 103.91 1yjx n ARG 162 Ca 0.06 -0.40 -0.08 0.00 -1.04 0.00 0.00 57.85 56.38 1yjx n ARG 162 Cb 0.17 -1.49 -0.03 0.00 -3.04 0.00 0.00 32.46 28.06 1yjx n ARG 162 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1yjx n ALA 163 N -0.86 0.56 -0.32 2.89 0.00 -0.63 -4.36 120.51 117.80 1yjx n ALA 163 Ca 0.09 -0.49 0.31 0.00 0.00 0.00 0.00 53.44 53.35 1yjx n ALA 163 Cb 0.37 -0.07 0.55 0.00 0.00 0.00 0.00 19.45 20.30 1yjx n ALA 163 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1yjx n LEU 164 N -4.56 0.30 -0.11 0.00 -0.00 -0.57 0.53 117.00 112.58 1yjx n LEU 164 Ca -0.13 1.47 -0.06 0.00 -0.00 0.00 0.00 56.01 57.30 1yjx n LEU 164 Cb 0.37 -0.72 0.02 0.00 -0.00 0.00 0.00 43.42 43.09 1yjx n LEU 164 CO 0.13 -1.64 0.94 -0.65 -0.00 0.00 0.00 177.39 176.16 1yjx h PRO 165 N 0.00 0.27 -0.35 1.47 0.11 -1.76 0.17 132.00 131.91 1yjx h PRO 165 Ca 0.78 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 66.82 1yjx h PRO 165 Cb 2.15 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 33.19 1yjx h PRO 165 CO -0.65 0.18 -0.04 0.35 -0.21 0.00 0.00 178.00 177.62 1yjx h PHE 166 N 0.28 0.58 -0.42 0.65 3.57 -0.12 -0.97 116.94 120.51 1yjx h PHE 166 Ca 0.17 -0.07 -0.10 0.00 3.53 0.00 0.00 57.97 61.50 1yjx h PHE 166 Cb 0.15 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.71 1yjx h PHE 166 CO -0.15 0.60 -0.15 2.35 -2.23 0.00 0.00 178.31 178.73 1yjx h TRP 167 N 0.53 0.87 0.06 0.41 2.91 -0.88 0.77 115.95 120.62 1yjx h TRP 167 Ca 0.11 -0.17 -0.24 0.00 1.13 0.00 0.00 58.89 59.71 1yjx h TRP 167 Cb 0.40 -0.22 -0.00 0.00 -0.51 0.00 0.00 29.16 28.83 1yjx h TRP 167 CO 0.01 0.88 -1.07 -0.91 -1.03 0.00 0.00 178.44 176.33 1yjx h ASN 168 N 0.70 0.36 0.09 2.65 2.35 -0.09 0.32 115.58 121.95 1yjx h ASN 168 Ca 0.11 -0.34 -0.03 0.00 -0.55 0.00 0.00 56.30 55.49 1yjx h ASN 168 Cb 0.64 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.89 1yjx h ASN 168 CO 0.05 1.21 -1.94 -0.62 -1.65 0.00 0.00 177.43 174.47 1yjx n GLU 169 N -3.59 0.66 -0.05 0.81 1.02 -0.42 -4.49 120.64 114.58 1yjx n GLU 169 Ca -0.06 -0.16 -0.10 0.00 -0.02 0.00 0.00 57.16 56.82 1yjx n GLU 169 Cb 0.92 -1.55 -0.04 0.00 -0.02 0.00 0.00 31.44 30.76 1yjx n GLU 169 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1yjx n GLU 170 N -2.34 0.22 -0.06 3.49 -0.58 0.24 -4.75 120.64 116.87 1yjx n GLU 170 Ca -0.06 0.09 -0.07 0.00 -0.42 0.00 0.00 57.16 56.70 1yjx n GLU 170 Cb 0.62 -0.92 -0.06 0.00 -0.57 0.00 0.00 31.44 30.50 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 0.80 -0.75 -3.67 2.04 -1.25 -3.34 117.51 111.04 1yjx h ILE 171 Ca -0.25 -1.61 0.14 0.00 1.00 0.00 0.00 64.86 64.15 1yjx h ILE 171 Cb 1.25 1.51 -0.14 0.00 -0.74 0.00 0.00 36.82 38.70 1yjx h ILE 171 CO -0.13 0.27 -0.24 0.58 0.00 0.00 0.00 178.15 178.62 1yjx h VAL 172 N -1.00 0.19 -0.60 1.67 2.07 -0.61 0.03 116.25 118.01 1yjx h VAL 172 Ca -0.01 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.64 1yjx h VAL 172 Cb 0.47 0.19 -0.11 0.00 -1.52 0.00 0.00 31.29 30.32 1yjx h VAL 172 CO -0.00 0.00 -0.11 -0.65 0.02 0.00 0.00 177.57 176.83 1yjx h PRO 173 N -0.04 0.03 -0.14 1.57 0.11 -1.79 -0.23 132.00 131.51 1yjx h PRO 173 Ca 0.34 -0.00 0.04 0.00 0.11 0.00 0.00 66.00 66.48 1yjx h PRO 173 Cb 0.56 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 31.63 1yjx h PRO 173 CO -0.78 0.02 -0.08 1.96 -0.21 0.00 0.00 178.00 178.90 1yjx h GLN 174 N 0.03 -0.08 -0.59 1.05 1.08 -1.13 -0.84 115.11 114.63 1yjx h GLN 174 Ca 0.30 0.01 0.05 0.00 -1.45 0.00 0.00 58.65 57.56 1yjx h GLN 174 Cb 0.46 0.02 -0.05 0.00 -0.05 0.00 0.00 27.48 27.86 1yjx h GLN 174 CO -0.59 -0.05 0.31 0.82 -0.95 0.00 0.00 178.83 178.37 1yjx h ILE 175 N -0.08 0.95 0.00 2.54 2.04 -0.66 -0.60 117.51 121.71 1yjx h ILE 175 Ca 0.08 -0.20 -0.04 0.00 1.00 0.00 0.00 64.86 65.71 1yjx h ILE 175 Cb 0.20 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 1yjx h ILE 175 CO -0.19 0.11 -0.18 0.11 0.00 0.00 0.00 178.15 177.99 1yjx h LYS 176 N 0.58 0.00 -0.03 2.37 1.57 -0.56 -0.28 116.57 120.22 1yjx h LYS 176 Ca 0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 1yjx h LYS 176 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1yjx h LYS 176 CO -0.18 0.18 0.00 -1.91 -0.57 0.00 0.00 179.45 176.97 1yjx n GLU 177 N -4.10 1.27 -0.40 3.15 2.13 -0.34 -4.88 120.64 117.46 1yjx n GLU 177 Ca -0.02 -0.40 0.00 0.00 0.66 0.00 0.00 57.16 57.40 1yjx n GLU 177 Cb 0.25 -1.42 0.00 0.00 0.27 0.00 0.00 31.44 30.55 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 1.00 0.74 3.71 8.31 0.00 -0.11 -5.05 105.19 113.79 1yjx n GLY 178 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.60 4.39 -0.52 1.61 -0.14 -0.54 -4.96 119.74 118.98 1yjx s LYS 179 Ca 0.00 1.86 -0.28 0.00 -1.36 0.00 0.00 55.97 56.18 1yjx s LYS 179 Cb 0.00 -3.35 0.03 0.00 -1.68 0.00 0.00 37.83 32.83 1yjx s LYS 179 CO 0.00 -0.34 1.14 1.03 -0.76 0.00 0.00 175.35 176.43 1yjx s ARG 180 N 1.24 3.63 0.13 1.68 3.00 -1.26 -4.20 118.95 123.16 1yjx s ARG 180 Ca 0.60 0.41 -0.14 0.00 0.00 0.00 0.00 55.73 56.60 1yjx s ARG 180 Cb -0.31 -3.95 -0.07 0.00 0.00 0.00 0.00 34.95 30.62 1yjx s ARG 180 CO 0.29 -1.49 0.53 0.08 0.00 0.00 0.00 175.30 174.71 1yjx s VAL 181 N 4.60 4.88 -0.12 3.52 1.01 -1.26 -0.55 120.40 132.48 1yjx s VAL 181 Ca 0.45 0.83 0.01 0.00 0.00 0.00 0.00 61.98 63.26 1yjx s VAL 181 Cb -0.07 -3.74 0.02 0.00 0.00 0.00 0.00 36.38 32.59 1yjx s VAL 181 CO 0.29 0.29 -0.12 -0.22 0.00 0.00 0.00 175.10 175.35 1yjx s LEU 182 N -1.83 1.50 -0.22 3.92 2.96 -1.02 -2.23 118.68 121.76 1yjx s LEU 182 Ca 0.36 -0.38 -0.01 0.00 -0.22 0.00 0.00 54.13 53.87 1yjx s LEU 182 Cb -0.15 -1.00 0.02 0.00 0.50 0.00 0.00 46.19 45.56 1yjx s LEU 182 CO 0.19 -0.05 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.43 1yjx s ILE 183 N 1.37 2.72 -0.36 6.68 1.01 -0.06 -1.45 121.20 131.10 1yjx s ILE 183 Ca 0.00 -0.91 -0.07 0.00 0.00 0.00 0.00 60.65 59.67 1yjx s ILE 183 Cb -0.13 -2.29 0.05 0.00 0.01 0.00 0.00 42.46 40.09 1yjx s ILE 183 CO -0.06 0.34 0.16 0.00 0.00 0.00 0.00 174.94 175.37 1yjx s ALA 184 N 1.34 3.14 0.00 9.38 0.00 -0.51 -0.71 121.76 134.39 1yjx s ALA 184 Ca 0.02 -1.87 0.00 0.00 0.00 0.00 0.00 51.96 50.11 1yjx s ALA 184 Cb -0.15 -2.41 0.00 0.00 0.00 0.00 0.00 23.12 20.56 1yjx s ALA 184 CO -0.07 -1.44 0.00 0.00 0.00 0.00 0.00 175.76 174.26 1yjx n ALA 185 N 4.85 0.00 -2.53 0.00 0.00 -0.73 -3.79 120.51 118.31 1yjx n ALA 185 Ca -0.11 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.09 1yjx n ALA 185 Cb 0.44 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.82 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 1.11 2.61 0.12 0.00 3.76 -1.26 -2.28 115.29 119.35 1yjx s HIS 186 Ca 0.00 -0.42 -0.33 0.00 -0.15 0.00 0.00 55.06 54.15 1yjx s HIS 186 Cb 0.00 -1.56 -0.12 0.00 1.11 0.00 0.00 32.58 32.01 1yjx s HIS 186 CO 0.00 0.42 1.55 0.78 -0.85 0.00 0.00 174.74 176.63 1yjx h GLY 187 N 1.70 -1.05 1.30 -2.22 0.00 -1.96 0.54 103.07 101.38 1yjx h GLY 187 Ca -0.43 0.71 -0.14 0.00 0.00 0.00 0.00 47.33 47.46 1yjx h GLY 187 CO 0.66 -0.15 -0.35 3.43 0.00 0.00 0.00 176.54 180.13 1yjx h ASN 188 N -0.48 0.82 -0.47 0.19 2.35 -1.97 -0.83 115.58 115.20 1yjx h ASN 188 Ca 0.05 -0.35 -0.11 0.00 -0.55 0.00 0.00 56.30 55.34 1yjx h ASN 188 Cb 0.63 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.76 1yjx h ASN 188 CO -0.52 1.09 -0.13 0.77 -1.65 0.00 0.00 177.43 176.98 1yjx h SER 189 N 0.65 0.92 -0.47 5.81 4.64 -1.72 -2.42 113.55 120.97 1yjx h SER 189 Ca 0.06 -0.37 -0.04 0.00 -0.47 0.00 0.00 61.79 60.98 1yjx h SER 189 Cb 0.89 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.70 1yjx h SER 189 CO 0.08 1.08 0.17 -0.07 -0.87 0.00 0.00 176.83 177.22 1yjx h LEU 190 N 0.76 0.70 -0.96 5.97 3.38 -0.79 -1.17 115.31 123.19 1yjx h LEU 190 Ca 0.12 -0.10 0.07 0.00 0.09 0.00 0.00 57.88 58.06 1yjx h LEU 190 Cb 0.69 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 41.19 1yjx h LEU 190 CO 0.05 0.66 0.61 0.03 0.09 0.00 0.00 178.44 179.87 1yjx h ARG 191 N 0.75 1.04 -0.18 1.13 3.08 -0.70 -0.29 114.38 119.21 1yjx h ARG 191 Ca 0.17 -0.06 0.04 0.00 0.07 0.00 0.00 59.98 60.20 1yjx h ARG 191 Cb 0.20 -0.24 -0.04 0.00 0.08 0.00 0.00 29.97 29.97 1yjx h ARG 191 CO -0.01 0.69 -0.10 0.78 -1.07 0.00 0.00 179.97 180.26 1yjx h GLY 192 N 1.07 0.05 0.93 0.04 0.00 -0.75 0.32 103.07 104.73 1yjx h GLY 192 Ca 0.43 0.12 -0.00 0.00 0.00 0.00 0.00 47.33 47.87 1yjx h GLY 192 CO -0.19 -0.12 -0.12 -2.22 0.00 0.00 0.00 176.54 173.90 1yjx h ILE 193 N -0.09 0.75 -0.23 2.60 5.03 -1.09 -1.69 117.51 122.79 1yjx h ILE 193 Ca 0.10 0.00 0.05 0.00 -0.12 0.00 0.00 64.86 64.89 1yjx h ILE 193 Cb 0.24 0.75 -0.05 0.00 -3.03 0.00 0.00 36.82 34.73 1yjx h ILE 193 CO -0.23 0.00 -0.08 0.58 -0.68 0.00 0.00 178.15 177.73 1yjx h VAL 194 N -0.29 0.71 -0.88 1.67 2.07 -0.66 0.76 116.25 119.63 1yjx h VAL 194 Ca -0.01 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.61 1yjx h VAL 194 Cb 0.25 0.71 -0.08 0.00 -1.52 0.00 0.00 31.29 30.65 1yjx h VAL 194 CO 0.01 0.00 0.52 0.50 0.02 0.00 0.00 177.57 178.62 1yjx h LYS 195 N -0.04 0.84 -0.03 1.57 3.64 -0.23 -0.15 116.57 122.17 1yjx h LYS 195 Ca 0.12 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1yjx h LYS 195 Cb 0.22 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 31.85 1yjx h LYS 195 CO -0.26 0.56 0.00 1.25 -2.27 0.00 0.00 179.45 178.73 1yjx h HIS 196 N 0.87 0.06 -0.09 1.91 2.76 -0.37 0.21 115.15 120.50 1yjx h HIS 196 Ca 0.43 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.59 1yjx h HIS 196 Cb 0.38 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.32 1yjx h HIS 196 CO -0.04 0.34 0.05 -0.07 -1.30 0.00 0.00 177.93 176.91 1yjx h LEU 197 N -0.24 0.07 -0.53 0.26 3.38 -0.35 -2.99 115.31 114.91 1yjx h LEU 197 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1yjx h LEU 197 Cb 0.32 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1yjx h LEU 197 CO 0.00 0.06 -0.15 -0.62 0.09 0.00 0.00 178.44 177.82 1yjx n GLU 198 N -5.04 1.01 -3.85 1.13 1.02 -0.12 -4.58 120.64 110.20 1yjx n GLU 198 Ca -0.05 -0.53 -0.29 0.00 -0.02 0.00 0.00 57.16 56.27 1yjx n GLU 198 Cb 0.04 -1.49 0.04 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 -0.49 3.80 0.62 0.00 0.69 -4.94 105.19 106.15 1yjx n GLY 199 Ca 0.15 0.20 -0.33 0.00 0.00 0.00 0.00 46.02 46.04 1yjx n GLY 199 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1yjx s LEU 200 N -7.26 3.45 0.81 0.99 1.43 -0.94 -5.04 118.68 112.14 1yjx s LEU 200 Ca 0.62 1.82 -0.12 0.00 -1.03 0.00 0.00 54.13 55.42 1yjx s LEU 200 Cb -0.30 -4.53 0.08 0.00 0.03 0.00 0.00 46.19 41.47 1yjx s LEU 200 CO 0.81 -1.25 1.13 -0.94 0.23 0.00 0.00 176.35 176.33 1yjx s SER 201 N -2.84 4.40 0.18 2.29 1.04 -1.26 -4.78 113.70 112.73 1yjx s SER 201 Ca 0.64 1.07 -0.12 0.00 0.48 0.00 0.00 55.95 58.01 1yjx s SER 201 Cb -0.16 -1.72 0.09 0.00 0.10 0.00 0.00 66.02 64.33 1yjx s SER 201 CO 0.39 -2.00 1.76 -0.33 0.98 0.00 0.00 173.24 174.04 1yjx h GLU 202 N -1.12 0.90 -0.41 4.02 5.08 -1.99 -0.45 114.58 120.61 1yjx h GLU 202 Ca -0.47 -0.13 0.02 0.00 -1.00 0.00 0.00 59.36 57.77 1yjx h GLU 202 Cb 1.30 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 30.36 1yjx h GLU 202 CO 0.62 0.72 0.23 0.93 -1.00 0.00 0.00 179.01 180.52 1yjx h GLU 203 N 0.85 0.45 0.32 2.33 4.39 -1.99 -1.14 114.58 119.80 1yjx h GLU 203 Ca 0.21 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.87 1yjx h GLU 203 Cb 0.12 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 28.67 1yjx h GLU 203 CO -0.03 0.30 -0.22 0.00 -1.16 0.00 0.00 179.01 177.91 1yjx h ALA 204 N 1.19 -1.03 -0.95 3.43 0.00 -1.74 -2.34 119.26 117.82 1yjx h ALA 204 Ca 0.16 -0.10 0.27 0.00 0.00 0.00 0.00 54.91 55.24 1yjx h ALA 204 Cb 0.02 0.36 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1yjx h ALA 204 CO -0.08 -1.02 0.67 0.97 0.00 0.00 0.00 179.25 179.79 1yjx h ILE 205 N -0.51 0.54 -0.75 0.00 6.09 -1.09 0.22 117.51 122.01 1yjx h ILE 205 Ca -0.04 -0.02 -0.02 0.00 -1.37 0.00 0.00 64.86 63.41 1yjx h ILE 205 Cb 0.42 0.47 -0.04 0.00 0.47 0.00 0.00 36.82 38.14 1yjx h ILE 205 CO 0.03 0.01 0.39 0.24 -3.07 0.00 0.00 178.15 175.75 1yjx h MET 206 N 0.06 1.05 0.00 2.19 2.86 -0.67 -2.72 114.93 117.71 1yjx h MET 206 Ca 0.46 -0.13 0.00 0.00 -2.06 0.00 0.00 59.70 57.97 1yjx h MET 206 Cb 1.73 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 33.19 1yjx h MET 206 CO -0.04 0.79 -0.22 0.93 1.06 0.00 0.00 176.91 179.44 1yjx h GLU 207 N 1.06 0.00 -6.50 1.72 3.07 -0.29 -3.46 114.58 110.18 1yjx h GLU 207 Ca 0.26 0.00 -0.53 0.00 -0.50 0.00 0.00 59.36 58.59 1yjx h GLU 207 Cb 0.06 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 27.97 1yjx h GLU 207 CO -0.04 0.00 0.49 -1.17 -1.40 0.00 0.00 179.01 176.89 1yjx s LEU 208 N -5.01 4.39 -0.28 1.33 2.96 -1.00 -5.02 118.68 116.05 1yjx s LEU 208 Ca 0.08 1.93 -0.01 0.00 -0.22 0.00 0.00 54.13 55.91 1yjx s LEU 208 Cb 0.10 -3.58 0.09 0.00 0.50 0.00 0.00 46.19 43.30 1yjx s LEU 208 CO 0.66 -0.37 0.08 0.20 -1.32 0.00 0.00 176.35 175.60 1yjx s ASN 209 N 0.83 3.81 0.41 3.68 -0.87 -1.26 -5.00 114.94 116.54 1yjx s ASN 209 Ca 0.55 -1.45 -0.26 0.00 -1.57 0.00 0.00 52.86 50.13 1yjx s ASN 209 Cb -0.27 -0.82 -0.09 0.00 -0.02 0.00 0.00 41.25 40.05 1yjx s ASN 209 CO 0.30 -0.39 1.35 -0.76 -2.57 0.00 0.00 177.10 175.04 1yjx s LEU 210 N 1.66 4.21 0.64 0.60 1.43 -1.26 -4.98 118.68 120.99 1yjx s LEU 210 Ca 0.07 2.77 -0.16 0.00 -1.03 0.00 0.00 54.13 55.78 1yjx s LEU 210 Cb -0.17 -3.87 -0.01 0.00 0.03 0.00 0.00 46.19 42.17 1yjx s LEU 210 CO -0.21 -0.91 1.14 -2.84 0.23 0.00 0.00 176.35 173.75 1yjx s PRO 211 N -2.25 2.81 0.05 1.29 0.02 -1.26 -5.03 135.00 130.64 1yjx s PRO 211 Ca 0.57 1.52 -0.04 0.00 0.02 0.00 0.00 61.00 63.08 1yjx s PRO 211 Cb -0.41 -1.94 -0.05 0.00 0.02 0.00 0.00 34.50 32.13 1yjx s PRO 211 CO 0.53 -1.27 0.27 0.95 -0.33 0.00 0.00 177.00 177.14 1yjx s THR 212 N -2.12 5.31 0.00 0.99 -4.23 -1.26 -4.33 115.64 110.00 1yjx s THR 212 Ca 0.70 -0.08 0.00 0.00 -1.18 0.00 0.00 61.69 61.13 1yjx s THR 212 Cb -0.23 -3.60 0.00 0.00 1.34 0.00 0.00 72.50 70.01 1yjx s THR 212 CO 0.39 0.21 0.00 0.61 -0.54 0.00 0.00 174.62 175.29 1yjx n GLY 213 N 0.58 0.61 3.68 3.99 0.00 0.18 -4.87 105.19 109.37 1yjx n GLY 213 Ca -0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 1yjx n GLY 213 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1yjx s ILE 214 N -1.92 5.23 0.06 -0.61 1.01 -1.26 -3.83 121.20 119.88 1yjx s ILE 214 Ca 0.00 0.13 -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 38.99 1yjx s ILE 214 CO 0.00 0.42 1.82 -2.84 0.00 0.00 0.00 174.94 174.33 1yjx s PRO 215 N 0.59 4.16 -0.30 2.79 0.02 -1.26 -4.50 135.00 136.49 1yjx s PRO 215 Ca 0.07 2.50 -0.10 0.00 0.02 0.00 0.00 61.00 63.49 1yjx s PRO 215 Cb -0.12 -3.83 -0.02 0.00 0.02 0.00 0.00 34.50 30.55 1yjx s PRO 215 CO 0.00 -0.86 0.16 0.42 -0.33 0.00 0.00 177.00 176.39 1yjx s ILE 216 N 3.44 4.77 -0.18 2.83 1.01 0.16 -2.00 121.20 131.23 1yjx s ILE 216 Ca 0.81 -0.24 -0.07 0.00 0.00 0.00 0.00 60.65 61.16 1yjx s ILE 216 Cb -0.42 -3.37 -0.04 0.00 0.01 0.00 0.00 42.46 38.64 1yjx s ILE 216 CO 0.36 0.14 0.05 -0.69 0.00 0.00 0.00 174.94 174.80 1yjx s VAL 217 N 1.66 4.64 0.01 2.92 1.01 0.64 0.22 120.40 131.49 1yjx s VAL 217 Ca 0.06 -0.09 0.08 0.00 0.00 0.00 0.00 61.98 62.02 1yjx s VAL 217 Cb -0.17 -3.08 -0.03 0.00 0.00 0.00 0.00 36.38 33.11 1yjx s VAL 217 CO 0.07 0.47 -0.23 -0.31 0.00 0.00 0.00 175.10 175.10 1yjx s TYR 218 N 0.37 2.43 -0.27 5.22 1.51 0.12 -2.01 117.35 124.72 1yjx s TYR 218 Ca 0.02 -0.36 0.01 0.00 -1.01 0.00 0.00 57.07 55.73 1yjx s TYR 218 Cb -0.13 -1.48 0.05 0.00 -0.11 0.00 0.00 41.96 40.29 1yjx s TYR 218 CO 0.01 0.10 -0.07 -1.21 -1.11 0.00 0.00 175.55 173.26 1yjx s GLU 219 N -0.96 2.39 0.04 -0.62 2.02 -1.26 -0.43 118.70 119.88 1yjx s GLU 219 Ca 0.12 -1.27 0.02 0.00 0.02 0.00 0.00 54.97 53.86 1yjx s GLU 219 Cb -0.10 -2.98 -0.04 0.00 0.10 0.00 0.00 34.13 31.11 1yjx s GLU 219 CO 0.01 -0.55 0.08 -0.51 0.02 0.00 0.00 175.26 174.31 1yjx s LEU 220 N 1.18 3.84 0.83 1.80 1.43 0.18 -0.11 118.68 127.83 1yjx s LEU 220 Ca -0.06 0.06 -0.08 0.00 -1.03 0.00 0.00 54.13 53.01 1yjx s LEU 220 Cb -0.19 -2.41 0.15 0.00 0.03 0.00 0.00 46.19 43.77 1yjx s LEU 220 CO -0.04 0.21 1.14 1.51 0.23 0.00 0.00 176.35 179.41 1yjx s ASP 221 N -2.12 3.86 0.47 2.29 1.47 0.11 -2.65 116.67 120.09 1yjx s ASP 221 Ca 0.27 0.02 0.19 0.00 1.18 0.00 0.00 52.55 54.21 1yjx s ASP 221 Cb -0.12 -0.29 1.02 0.00 -0.34 0.00 0.00 42.92 43.20 1yjx s ASP 221 CO 0.19 -2.22 1.52 0.11 0.68 0.00 0.00 175.17 175.44 1yjx h LYS 222 N -1.04 0.00 -0.69 2.11 1.79 -1.99 0.14 116.57 116.90 1yjx h LYS 222 Ca -0.41 0.00 -0.19 0.00 -2.18 0.00 0.00 60.65 57.87 1yjx h LYS 222 Cb 1.26 0.00 -0.11 0.00 -1.58 0.00 0.00 32.23 31.80 1yjx h LYS 222 CO 0.42 0.00 0.23 0.09 -1.08 0.00 0.00 179.45 179.10 1yjx n ASN 223 N -2.39 4.74 -2.57 0.86 3.02 -1.26 -4.90 115.26 112.76 1yjx n ASN 223 Ca -0.01 -3.23 -0.21 0.00 -0.03 0.00 0.00 54.58 51.10 1yjx n ASN 223 Cb 0.38 -0.73 0.00 0.00 -0.61 0.00 0.00 39.78 38.82 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 -0.18 -2.15 -4.46 3.41 4.77 0.49 -4.98 117.00 113.88 1yjx n LEU 224 Ca 0.39 -0.09 -0.33 0.00 -0.03 0.00 0.00 56.01 55.94 1yjx n LEU 224 Cb 1.34 -2.96 -0.13 0.00 -2.33 0.00 0.00 43.42 39.34 1yjx n LEU 224 CO 0.40 -0.09 -0.40 -0.54 -1.33 0.00 0.00 177.39 175.43 1yjx s LYS 225 N -5.23 3.37 -0.33 3.23 1.02 -1.25 -4.80 119.74 115.74 1yjx s LYS 225 Ca 0.08 -0.59 -0.33 0.00 0.02 0.00 0.00 55.97 55.15 1yjx s LYS 225 Cb -0.04 -2.73 -0.10 0.00 -0.52 0.00 0.00 37.83 34.44 1yjx s LYS 225 CO 0.10 0.32 2.22 -2.30 -0.92 0.00 0.00 175.35 174.77 1yjx n PRO 226 N 3.26 1.31 0.00 -1.68 -0.02 -1.26 0.05 135.00 136.66 1yjx n PRO 226 Ca -0.18 0.34 0.13 0.00 -2.02 0.00 0.00 63.50 61.78 1yjx n PRO 226 Cb 0.53 -2.71 0.78 0.00 -0.02 0.00 0.00 33.50 32.07 1yjx n PRO 226 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 1yjx n ILE 227 N 7.41 0.02 -3.65 4.25 -5.35 0.84 -4.82 119.36 118.07 1yjx n ILE 227 Ca 0.38 0.01 -0.03 0.00 -0.27 0.00 0.00 62.75 62.84 1yjx n ILE 227 Cb 0.30 -0.59 -0.01 0.00 -1.74 0.00 0.00 39.64 37.60 1yjx n ILE 227 CO 0.00 0.00 0.00 -1.59 -1.76 0.00 0.00 176.55 173.20 1yjx s LYS 228 N -2.08 0.79 0.77 6.28 -2.85 -1.26 -5.09 119.74 116.30 1yjx s LYS 228 Ca 0.38 -0.40 -0.12 0.00 -1.00 0.00 0.00 55.97 54.83 1yjx s LYS 228 Cb 0.18 0.29 0.06 0.00 -2.06 0.00 0.00 37.83 36.31 1yjx s LYS 228 CO 0.32 -0.36 1.13 -1.25 0.10 0.00 0.00 175.35 175.30 1yjx s PRO 229 N -2.91 2.08 0.44 1.78 0.04 -1.26 -4.67 135.00 130.50 1yjx s PRO 229 Ca 0.11 1.43 -0.25 0.00 0.04 0.00 0.00 61.00 62.33 1yjx s PRO 229 Cb 0.01 -1.86 -0.08 0.00 0.04 0.00 0.00 34.50 32.60 1yjx s PRO 229 CO -0.02 -1.81 1.39 0.00 0.04 0.00 0.00 177.00 176.60 1yjx s MET 230 N -4.44 3.74 0.09 4.56 0.23 -1.26 -4.88 119.30 117.33 1yjx s MET 230 Ca 0.67 2.35 0.09 0.00 -1.03 0.00 0.00 55.69 57.76 1yjx s MET 230 Cb -0.22 -2.67 -0.03 0.00 -1.53 0.00 0.00 34.83 30.38 1yjx s MET 230 CO 0.51 -0.75 -0.23 -0.65 -2.03 0.00 0.00 175.02 171.87 1yjx s GLN 231 N -2.41 1.33 -0.14 3.16 -0.21 -0.85 -4.96 119.66 115.59 1yjx s GLN 231 Ca 0.60 -1.14 -0.02 0.00 0.02 0.00 0.00 55.36 54.83 1yjx s GLN 231 Cb -0.42 -1.60 -0.02 0.00 1.00 0.00 0.00 33.01 31.96 1yjx s GLN 231 CO 0.54 0.39 -0.08 -0.06 -2.12 0.00 0.00 175.29 173.96 1yjx s PHE 232 N -1.00 2.93 0.20 0.91 0.40 -1.26 -0.26 117.98 119.89 1yjx s PHE 232 Ca 0.09 -0.41 -0.19 0.00 -0.60 0.00 0.00 56.93 55.83 1yjx s PHE 232 Cb -0.10 -1.88 -0.08 0.00 0.51 0.00 0.00 43.02 41.47 1yjx s PHE 232 CO 0.04 -0.07 0.68 -0.51 0.70 0.00 0.00 175.22 176.06 1yjx s LEU 233 N 0.24 4.35 0.00 -0.37 1.43 -0.85 -4.85 118.68 118.63 1yjx s LEU 233 Ca -0.05 1.35 0.00 0.00 -1.03 0.00 0.00 54.13 54.40 1yjx s LEU 233 Cb -0.15 -3.50 0.00 0.00 0.03 0.00 0.00 46.19 42.58 1yjx s LEU 233 CO 0.04 0.06 0.00 0.61 0.23 0.00 0.00 176.35 177.29 1yjx n GLY 234 N 0.78 0.45 3.77 -3.19 0.00 -1.26 -4.27 105.19 101.47 1yjx n GLY 234 Ca -0.03 -1.64 -0.38 0.00 0.00 0.00 0.00 46.02 43.97 1yjx n GLY 234 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1yjx s ASP 235 N 0.00 6.29 0.14 1.61 1.47 -1.26 -4.60 116.67 120.31 1yjx s ASP 235 Ca 0.00 2.39 -0.06 0.00 1.18 0.00 0.00 52.55 56.06 1yjx s ASP 235 Cb 0.00 -2.61 0.20 0.00 -0.34 0.00 0.00 42.92 40.16 1yjx s ASP 235 CO 0.00 -0.84 0.81 -1.84 0.68 0.00 0.00 175.17 173.98 1yjx n GLU 236 N -0.20 -0.08 0.38 2.11 -0.00 -1.26 -0.91 120.64 120.69 1yjx n GLU 236 Ca 0.06 0.81 -0.16 0.00 -0.00 0.00 0.00 57.16 57.87 1yjx n GLU 236 Cb 0.47 -1.21 -0.08 0.00 -0.00 0.00 0.00 31.44 30.62 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 -0.96 0.14 3.44 4.11 -1.99 -1.26 114.58 118.06 1yjx h GLU 237 Ca 0.22 0.07 0.02 0.00 0.07 0.00 0.00 59.36 59.74 1yjx h GLU 237 Cb 0.35 0.22 -0.04 0.00 0.50 0.00 0.00 28.75 29.79 1yjx h GLU 237 CO -0.53 -0.64 -0.32 1.15 0.07 0.00 0.00 179.01 178.74 1yjx h THR 238 N -1.00 0.32 0.24 -1.06 2.02 -1.38 0.38 112.91 112.43 1yjx h THR 238 Ca -0.10 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.08 1yjx h THR 238 Cb 0.78 0.32 -0.03 0.00 -1.74 0.00 0.00 68.15 67.48 1yjx h THR 238 CO 0.15 0.00 -0.43 1.62 0.37 0.00 0.00 175.52 177.23 1yjx h VAL 239 N -0.56 0.00 -0.32 3.16 3.04 -1.22 -0.98 116.25 119.37 1yjx h VAL 239 Ca 0.03 0.00 0.06 0.00 -1.01 0.00 0.00 66.70 65.77 1yjx h VAL 239 Cb 0.58 0.00 -0.05 0.00 -2.01 0.00 0.00 31.29 29.81 1yjx h VAL 239 CO -0.18 0.00 0.00 0.03 -1.01 0.00 0.00 177.57 176.42 1yjx h ARG 240 N -0.71 0.09 -1.01 4.17 -0.00 -1.18 -2.21 114.38 113.53 1yjx h ARG 240 Ca -0.03 -0.01 0.23 0.00 -0.50 0.00 0.00 59.98 59.68 1yjx h ARG 240 Cb 0.66 -0.02 -0.11 0.00 0.00 0.00 0.00 29.97 30.51 1yjx h ARG 240 CO -0.15 0.06 0.62 -0.22 0.00 0.00 0.00 179.97 180.28 1yjx h LYS 241 N 0.10 0.55 -1.56 0.04 3.64 0.13 -0.99 116.57 118.48 1yjx h LYS 241 Ca 0.16 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.46 1yjx h LYS 241 Cb 0.21 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 1yjx h LYS 241 CO -0.26 0.36 0.06 0.00 -2.27 0.00 0.00 179.45 177.34 1yjx n ALA 242 N -2.38 3.59 -1.00 5.00 0.00 -0.40 -5.07 120.51 120.24 1yjx n ALA 242 Ca 0.25 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1yjx n ALA 242 Cb 0.73 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 19.14 1yjx n ALA 242 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17