#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yjx h ALA 3 N 0.00 -0.41 -4.57 0.00 0.00 -1.16 -3.46 119.26 109.66 1yjx h ALA 3 Ca 0.00 0.03 -0.40 0.00 0.00 0.00 0.00 54.91 54.54 1yjx h ALA 3 Cb 0.00 0.71 -0.11 0.00 0.00 0.00 0.00 17.79 18.39 1yjx h ALA 3 CO 0.00 -0.83 -0.37 0.66 0.00 0.00 0.00 179.25 178.71 1yjx n TYR 4 N -5.42 -0.85 -4.04 0.00 4.02 -0.41 -4.99 117.16 105.48 1yjx n TYR 4 Ca -0.02 -2.49 -0.20 0.00 -0.01 0.00 0.00 57.90 55.18 1yjx n TYR 4 Cb 0.34 0.31 -0.17 0.00 -0.02 0.00 0.00 39.34 39.81 1yjx n TYR 4 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 1yjx s LYS 5 N -3.14 0.69 -0.07 -0.72 1.02 -1.26 -2.32 119.74 113.93 1yjx s LYS 5 Ca 0.35 -0.03 0.05 0.00 0.02 0.00 0.00 55.97 56.36 1yjx s LYS 5 Cb 0.01 -0.80 -0.01 0.00 -0.52 0.00 0.00 37.83 36.52 1yjx s LYS 5 CO 0.25 -0.14 -0.25 -1.17 -0.92 0.00 0.00 175.35 173.12 1yjx s LEU 6 N 1.15 2.08 -0.11 3.17 0.20 -0.53 -4.05 118.68 120.58 1yjx s LEU 6 Ca -0.08 -0.53 0.03 0.00 0.69 0.00 0.00 54.13 54.25 1yjx s LEU 6 Cb -0.14 -1.38 0.00 0.00 -0.43 0.00 0.00 46.19 44.24 1yjx s LEU 6 CO -0.01 0.21 -0.22 -0.69 -0.29 0.00 0.00 176.35 175.35 1yjx s VAL 7 N 0.02 1.95 0.13 1.68 1.01 -0.97 -0.37 120.40 123.84 1yjx s VAL 7 Ca -0.09 -0.94 0.08 0.00 0.00 0.00 0.00 61.98 61.03 1yjx s VAL 7 Cb -0.15 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.48 1yjx s VAL 7 CO 0.06 0.53 -0.14 -0.76 0.00 0.00 0.00 175.10 174.79 1yjx s LEU 8 N 0.54 2.87 -0.16 3.92 1.43 0.69 -0.80 118.68 127.16 1yjx s LEU 8 Ca -0.15 -0.51 -0.06 0.00 -1.03 0.00 0.00 54.13 52.38 1yjx s LEU 8 Cb -0.17 -1.67 0.07 0.00 0.03 0.00 0.00 46.19 44.46 1yjx s LEU 8 CO 0.05 0.16 0.35 -0.51 0.23 0.00 0.00 176.35 176.63 1yjx s ILE 9 N -1.29 -0.41 -0.14 -0.59 2.07 0.12 0.22 121.20 121.18 1yjx s ILE 9 Ca 0.21 0.19 -0.20 0.00 -1.41 0.00 0.00 60.65 59.44 1yjx s ILE 9 Cb -0.10 -0.55 -0.03 0.00 0.13 0.00 0.00 42.46 41.90 1yjx s ILE 9 CO 0.12 0.08 0.56 -0.60 -1.91 0.00 0.00 174.94 173.20 1yjx s ARG 10 N 2.22 4.30 0.76 3.50 3.52 -1.26 -1.60 118.95 130.39 1yjx s ARG 10 Ca -0.03 0.56 -0.15 0.00 -0.13 0.00 0.00 55.73 55.99 1yjx s ARG 10 Cb -0.11 -3.50 0.03 0.00 -1.56 0.00 0.00 34.95 29.81 1yjx s ARG 10 CO -0.11 -0.01 1.04 -2.39 -0.81 0.00 0.00 175.30 173.02 1yjx n HIS 11 N 4.23 0.85 -0.88 5.12 1.44 -1.00 0.86 115.22 125.84 1yjx n HIS 11 Ca -0.04 0.39 0.00 0.00 -2.01 0.00 0.00 57.72 56.06 1yjx n HIS 11 Cb 0.51 -2.09 0.00 0.00 0.12 0.00 0.00 29.99 28.53 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 0.92 -0.15 3.60 -1.39 0.00 -1.26 -4.21 105.19 102.70 1yjx n GLY 12 Ca 0.13 -1.76 -0.49 0.00 0.00 0.00 0.00 46.02 43.91 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 -0.36 1.37 -3.55 1.61 2.13 -1.26 -4.86 120.64 115.72 1yjx n GLU 13 Ca 0.00 0.49 -0.21 0.00 0.66 0.00 0.00 57.16 58.10 1yjx n GLU 13 Cb 0.00 -2.07 -0.03 0.00 0.27 0.00 0.00 31.44 29.62 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 0.22 5.04 0.25 4.31 1.04 -1.26 -0.61 113.70 122.69 1yjx s SER 14 Ca 0.75 -0.77 -0.05 0.00 0.48 0.00 0.00 55.95 56.36 1yjx s SER 14 Cb -0.83 -0.49 0.32 0.00 0.10 0.00 0.00 66.02 65.12 1yjx s SER 14 CO 0.49 -0.70 1.88 0.00 0.98 0.00 0.00 173.24 175.90 1yjx h ALA 15 N 0.98 1.25 0.00 5.32 0.00 -0.51 -0.48 119.26 125.81 1yjx h ALA 15 Ca -0.41 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.44 1yjx h ALA 15 Cb 1.27 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 1yjx h ALA 15 CO 0.57 0.44 -0.12 -1.49 0.00 0.00 0.00 179.25 178.64 1yjx h TRP 16 N 1.14 0.00 -0.04 0.00 4.06 -1.92 -2.94 115.95 116.25 1yjx h TRP 16 Ca 0.38 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 61.33 1yjx h TRP 16 Cb 0.05 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.21 1yjx h TRP 16 CO -0.01 0.12 0.02 -0.91 -3.56 0.00 0.00 178.44 174.10 1yjx h ASN 17 N 0.00 0.06 0.32 -3.49 2.35 -1.34 -0.62 115.58 112.85 1yjx h ASN 17 Ca -0.00 -0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.59 1yjx h ASN 17 Cb 0.85 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.20 1yjx h ASN 17 CO 0.02 0.20 0.00 0.00 -1.65 0.00 0.00 177.43 176.00 1yjx n LEU 18 N -4.97 0.00 -0.57 1.61 -0.00 -1.11 -1.10 117.00 110.86 1yjx n LEU 18 Ca -0.07 0.16 0.13 0.00 -0.00 0.00 0.00 56.01 56.23 1yjx n LEU 18 Cb 0.10 -0.16 0.27 0.00 -0.00 0.00 0.00 43.42 43.63 1yjx n LEU 18 CO 0.34 -0.00 0.64 -0.62 -0.00 0.00 0.00 177.39 177.75 1yjx n GLU 19 N -1.16 1.59 -3.63 1.47 1.02 -0.85 -4.96 120.64 114.13 1yjx n GLU 19 Ca 0.18 -1.15 -0.21 0.00 -0.02 0.00 0.00 57.16 55.97 1yjx n GLU 19 Cb 0.18 -1.48 0.06 0.00 -0.02 0.00 0.00 31.44 30.18 1yjx n GLU 19 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1yjx n ASN 20 N 0.29 -2.54 -4.47 1.62 4.05 -0.25 -4.88 115.26 109.08 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 0.45 -4.51 -0.11 0.00 1.23 0.00 0.00 39.78 36.84 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 1.69 -0.08 1.20 0.52 -0.37 -0.64 118.95 115.37 1yjx s ARG 21 Ca 0.16 -1.58 -0.30 0.00 -0.52 0.00 0.00 55.73 53.49 1yjx s ARG 21 Cb -0.07 -1.87 -0.02 0.00 0.52 0.00 0.00 34.95 33.50 1yjx s ARG 21 CO 0.78 0.38 1.10 -0.06 0.02 0.00 0.00 175.30 177.51 1yjx s PHE 22 N -2.02 3.37 -0.20 -0.53 0.08 -0.46 -4.62 117.98 113.61 1yjx s PHE 22 Ca 0.25 1.42 -0.15 0.00 0.12 0.00 0.00 56.93 58.57 1yjx s PHE 22 Cb -0.07 -3.29 -0.09 0.00 -0.57 0.00 0.00 43.02 39.00 1yjx s PHE 22 CO 0.13 -0.72 -0.19 0.43 -0.10 0.00 0.00 175.22 174.77 1yjx n SER 23 N 5.04 1.89 0.00 1.36 7.64 -1.26 -0.08 113.62 128.21 1yjx n SER 23 Ca 0.10 0.43 0.00 0.00 1.01 0.00 0.00 58.87 60.41 1yjx n SER 23 Cb 0.48 -0.84 0.00 0.00 -1.01 0.00 0.00 64.21 62.84 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 1.45 3.93 0.14 0.23 0.00 -1.26 -0.49 105.19 109.19 1yjx n GLY 24 Ca -0.25 0.04 0.15 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.87 1.61 7.02 -1.26 -4.64 117.44 132.30 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 -0.07 -0.03 0.00 -2.42 0.00 0.00 31.31 28.80 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 2.97 -0.85 -5.99 5.04 0.35 -4.84 117.35 111.87 1yjx s TYR 26 Ca 0.39 0.65 -0.08 0.00 -2.44 0.00 0.00 57.07 55.60 1yjx s TYR 26 Cb 0.21 -3.99 -0.15 0.00 0.35 0.00 0.00 41.96 38.38 1yjx s TYR 26 CO 0.39 -3.55 3.04 -3.47 -1.34 0.00 0.00 175.55 170.63 1yjx n ASP 27 N 3.41 6.65 -4.77 4.32 2.03 -1.26 -4.94 116.55 121.99 1yjx n ASP 27 Ca 0.12 -2.47 -0.40 0.00 0.52 0.00 0.00 54.79 52.57 1yjx n ASP 27 Cb 0.38 -1.39 -0.01 0.00 -0.72 0.00 0.00 41.12 39.38 1yjx n ASP 27 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1yjx s ALA 28 N 1.89 3.31 0.57 -1.67 0.00 -1.26 -4.77 121.76 119.83 1yjx s ALA 28 Ca 0.63 1.27 -0.02 0.00 0.00 0.00 0.00 51.96 53.83 1yjx s ALA 28 Cb 0.22 -3.50 0.03 0.00 0.00 0.00 0.00 23.12 19.87 1yjx s ALA 28 CO -0.03 -0.83 0.84 0.34 0.00 0.00 0.00 175.76 176.08 1yjx s ASP 29 N -0.65 5.36 0.56 0.00 -1.08 -1.26 -3.56 116.67 116.04 1yjx s ASP 29 Ca 0.56 0.33 -0.19 0.00 -0.52 0.00 0.00 52.55 52.72 1yjx s ASP 29 Cb -0.39 -1.26 -0.05 0.00 -1.46 0.00 0.00 42.92 39.76 1yjx s ASP 29 CO 0.51 -1.13 1.13 -0.76 0.52 0.00 0.00 175.17 175.43 1yjx s LEU 30 N -4.88 3.70 0.60 -1.34 1.43 -1.26 0.14 118.68 117.07 1yjx s LEU 30 Ca 0.55 2.15 -0.05 0.00 -1.03 0.00 0.00 54.13 55.76 1yjx s LEU 30 Cb -0.10 -4.58 0.02 0.00 0.03 0.00 0.00 46.19 41.56 1yjx s LEU 30 CO 0.41 -1.27 0.90 -0.94 0.23 0.00 0.00 176.35 175.67 1yjx s SER 31 N -1.89 5.36 0.26 2.29 1.04 0.22 -4.42 113.70 116.57 1yjx s SER 31 Ca 0.72 0.52 -0.01 0.00 0.48 0.00 0.00 55.95 57.66 1yjx s SER 31 Cb -0.23 -1.43 0.52 0.00 0.10 0.00 0.00 66.02 64.97 1yjx s SER 31 CO 0.29 -1.19 1.78 -0.65 0.98 0.00 0.00 173.24 174.45 1yjx h PRO 32 N -0.21 0.67 -0.36 4.02 0.11 -1.96 0.80 132.00 135.08 1yjx h PRO 32 Ca -0.45 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 1yjx h PRO 32 Cb 1.28 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 1yjx h PRO 32 CO 0.59 0.44 0.21 0.00 -0.21 0.00 0.00 178.00 179.03 1yjx h ALA 33 N 1.54 0.46 -0.66 -0.75 0.00 -1.92 -0.45 119.26 117.48 1yjx h ALA 33 Ca 0.46 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1yjx h ALA 33 Cb 0.59 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1yjx h ALA 33 CO -0.33 -0.03 0.43 0.78 0.00 0.00 0.00 179.25 180.10 1yjx h GLY 34 N 0.46 0.93 0.87 0.00 0.00 -1.17 0.42 103.07 104.58 1yjx h GLY 34 Ca 0.13 -0.35 -0.04 0.00 0.00 0.00 0.00 47.33 47.07 1yjx h GLY 34 CO -0.02 0.34 0.02 0.84 0.00 0.00 0.00 176.54 177.72 1yjx h HIS 35 N 0.89 0.52 -0.88 5.60 6.17 -0.38 -2.41 115.15 124.66 1yjx h HIS 35 Ca 0.24 -0.08 0.04 0.00 0.71 0.00 0.00 60.37 61.28 1yjx h HIS 35 Cb -0.09 -0.14 -0.05 0.00 2.52 0.00 0.00 27.41 29.65 1yjx h HIS 35 CO 0.00 0.61 0.58 1.49 0.71 0.00 0.00 177.93 181.32 1yjx h GLU 36 N 0.28 1.04 -0.13 5.26 4.57 -0.13 -0.96 114.58 124.51 1yjx h GLU 36 Ca 0.08 -0.06 0.01 0.00 -1.18 0.00 0.00 59.36 58.21 1yjx h GLU 36 Cb 0.39 -0.24 -0.01 0.00 -0.16 0.00 0.00 28.75 28.73 1yjx h GLU 36 CO 0.01 0.69 0.05 0.93 -1.18 0.00 0.00 179.01 179.51 1yjx h GLU 37 N 1.08 0.11 -0.57 1.92 5.08 -0.63 0.11 114.58 121.68 1yjx h GLU 37 Ca 0.35 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.75 1yjx h GLU 37 Cb 0.06 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.24 1yjx h GLU 37 CO -0.11 0.07 0.32 0.00 -1.00 0.00 0.00 179.01 178.29 1yjx h ALA 38 N 1.08 0.74 -0.62 3.43 0.00 -0.86 0.23 119.26 123.26 1yjx h ALA 38 Ca 0.06 0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.03 1yjx h ALA 38 Cb 0.03 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 1yjx h ALA 38 CO -0.06 0.00 0.32 -0.22 0.00 0.00 0.00 179.25 179.30 1yjx h LYS 39 N 0.61 0.58 -0.50 0.00 3.64 -0.54 0.81 116.57 121.18 1yjx h LYS 39 Ca 0.24 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.54 1yjx h LYS 39 Cb 0.10 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 1yjx h LYS 39 CO -0.14 0.38 0.11 0.00 -2.27 0.00 0.00 179.45 177.53 1yjx h ARG 40 N 0.60 0.80 -0.26 1.90 3.08 0.35 0.66 114.38 121.51 1yjx h ARG 40 Ca 0.28 -0.20 -0.10 0.00 0.07 0.00 0.00 59.98 60.03 1yjx h ARG 40 Cb 0.20 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 1yjx h ARG 40 CO -0.19 0.79 -0.28 0.78 -1.07 0.00 0.00 179.97 179.99 1yjx h GLY 41 N 0.69 0.56 0.74 0.04 0.00 0.29 -1.92 103.07 103.46 1yjx h GLY 41 Ca 0.15 -0.48 -0.00 0.00 0.00 0.00 0.00 47.33 47.00 1yjx h GLY 41 CO 0.00 0.44 -0.04 -1.33 0.00 0.00 0.00 176.54 175.61 1yjx h GLY 42 N 1.03 -0.12 0.74 4.60 0.00 0.94 -2.90 103.07 107.36 1yjx h GLY 42 Ca 0.06 0.04 0.14 0.00 0.00 0.00 0.00 47.33 47.58 1yjx h GLY 42 CO 0.06 -0.04 0.49 -1.61 0.00 0.00 0.00 176.54 175.43 1yjx h GLN 43 N -0.38 0.40 -0.22 4.80 5.75 -0.62 -0.93 115.11 123.92 1yjx h GLN 43 Ca -0.01 -0.02 -0.02 0.00 -0.15 0.00 0.00 58.65 58.44 1yjx h GLN 43 Cb 0.32 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.77 1yjx h GLN 43 CO 0.02 0.27 0.06 0.00 -2.65 0.00 0.00 178.83 176.52 1yjx h ALA 44 N 1.65 0.28 -0.85 3.38 0.00 -1.26 -0.76 119.26 121.70 1yjx h ALA 44 Ca 0.35 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1yjx h ALA 44 Cb 0.80 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 1yjx h ALA 44 CO -0.11 -0.07 0.49 -0.07 0.00 0.00 0.00 179.25 179.49 1yjx h LEU 45 N 0.17 1.03 -0.44 0.00 3.38 -1.01 -0.06 115.31 118.39 1yjx h LEU 45 Ca 0.07 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1yjx h LEU 45 Cb 0.27 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1yjx h LEU 45 CO 0.00 0.81 0.15 -0.09 0.09 0.00 0.00 178.44 179.40 1yjx h ARG 46 N 1.18 0.67 -0.61 1.13 1.12 -1.02 -0.60 114.38 116.25 1yjx h ARG 46 Ca 0.30 -0.14 -0.10 0.00 -1.11 0.00 0.00 59.98 58.94 1yjx h ARG 46 Cb -0.02 -0.10 -0.02 0.00 -0.01 0.00 0.00 29.97 29.82 1yjx h ARG 46 CO -0.05 0.64 -0.00 -0.44 -3.11 0.00 0.00 179.97 177.00 1yjx h ASP 47 N 0.56 1.06 0.14 -3.80 3.32 -0.71 -1.54 116.42 115.45 1yjx h ASP 47 Ca 0.14 -0.31 0.00 0.00 0.02 0.00 0.00 57.03 56.88 1yjx h ASP 47 Cb 0.24 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.51 1yjx h ASP 47 CO -0.01 1.11 0.00 0.00 -1.72 0.00 0.00 179.24 178.62 1yjx n ALA 48 N -2.48 2.36 -3.37 3.45 0.00 -0.07 -4.90 120.51 115.50 1yjx n ALA 48 Ca 0.03 -0.14 -0.24 0.00 0.00 0.00 0.00 53.44 53.09 1yjx n ALA 48 Cb 0.35 -1.40 0.06 0.00 0.00 0.00 0.00 19.45 18.46 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 0.62 -0.53 3.78 0.00 0.00 -0.37 -4.97 105.19 103.72 1yjx n GLY 49 Ca 0.16 0.20 -0.37 0.00 0.00 0.00 0.00 46.02 46.02 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 3.11 -0.02 1.61 1.51 -0.41 -5.03 117.35 114.87 1yjx s TYR 50 Ca 0.47 1.60 0.04 0.00 -1.01 0.00 0.00 57.07 58.17 1yjx s TYR 50 Cb -0.21 -3.22 -0.01 0.00 -0.11 0.00 0.00 41.96 38.41 1yjx s TYR 50 CO 0.58 -0.96 -0.14 -1.21 -1.11 0.00 0.00 175.55 172.71 1yjx s GLU 51 N -2.60 1.20 0.34 -0.62 2.02 -1.26 -4.87 118.70 112.90 1yjx s GLU 51 Ca 0.60 -0.48 0.07 0.00 0.02 0.00 0.00 54.97 55.18 1yjx s GLU 51 Cb -0.24 -1.13 -0.07 0.00 0.10 0.00 0.00 34.13 32.79 1yjx s GLU 51 CO 0.30 0.26 -0.03 -0.06 0.02 0.00 0.00 175.26 175.75 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 -0.69 0.00 0.00 -0.60 0.00 0.00 56.93 55.66 1yjx s PHE 52 Cb -0.07 -1.39 0.00 0.00 0.51 0.00 0.00 43.02 42.07 1yjx s PHE 52 CO 0.00 0.35 0.00 -0.25 0.70 0.00 0.00 175.22 176.02 1yjx n ASP 53 N -0.76 4.59 -3.64 1.36 8.00 0.43 -4.90 116.55 121.64 1yjx n ASP 53 Ca -0.05 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.30 1yjx n ASP 53 Cb 0.65 0.77 -0.07 0.00 -0.02 0.00 0.00 41.12 42.44 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 -1.86 0.01 0.06 0.53 2.07 -1.22 -4.25 121.20 116.54 1yjx s ILE 54 Ca 0.00 -0.12 0.08 0.00 -1.41 0.00 0.00 60.65 59.20 1yjx s ILE 54 Cb 0.00 -0.83 -0.03 0.00 0.13 0.00 0.00 42.46 41.73 1yjx s ILE 54 CO 0.00 -0.07 -0.22 0.00 -1.91 0.00 0.00 174.94 172.74 1yjx s PHE 56 N -0.89 1.39 0.31 0.00 0.40 -0.47 -0.11 117.98 118.61 1yjx s PHE 56 Ca 0.09 -0.40 -0.04 0.00 -0.60 0.00 0.00 56.93 55.98 1yjx s PHE 56 Cb -0.09 -0.96 -0.00 0.00 0.51 0.00 0.00 43.02 42.47 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 0.17 0.00 0.00 0.64 -1.32 -0.32 -1.42 115.64 113.39 1yjx s THR 57 Ca -0.05 -1.62 0.00 0.00 -1.21 0.00 0.00 61.69 58.82 1yjx s THR 57 Cb -0.11 -2.53 0.00 0.00 -1.51 0.00 0.00 72.50 68.35 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 -1.07 0.00 -1.20 8.08 3.41 -1.25 -1.19 113.62 120.39 1yjx n SER 58 Ca 0.01 -0.62 -0.02 0.00 -0.26 0.00 0.00 58.87 57.97 1yjx n SER 58 Cb 0.62 0.00 0.22 0.00 -0.26 0.00 0.00 64.21 64.79 1yjx n SER 58 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1yjx n VAL 59 N -1.17 2.55 -4.59 -3.33 0.24 -1.24 -4.00 118.33 106.79 1yjx n VAL 59 Ca 0.00 -2.39 -0.33 0.00 -2.04 0.00 0.00 64.34 59.58 1yjx n VAL 59 Cb 0.00 -0.32 -0.14 0.00 -1.47 0.00 0.00 33.84 31.92 1yjx n VAL 59 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1yjx s GLN 60 N -3.12 3.46 0.04 7.34 -0.21 -1.26 -5.04 119.66 120.86 1yjx s GLN 60 Ca 0.45 -0.64 -0.08 0.00 0.02 0.00 0.00 55.36 55.11 1yjx s GLN 60 Cb 0.40 -2.74 -0.02 0.00 1.00 0.00 0.00 33.01 31.65 1yjx s GLN 60 CO 0.04 0.18 0.93 1.63 -2.12 0.00 0.00 175.29 175.95 1yjx n LYS 61 N 3.65 -0.12 -0.37 2.91 5.02 -1.26 -1.25 118.16 126.74 1yjx n LYS 61 Ca -0.18 0.92 0.29 0.00 -2.02 0.00 0.00 58.31 57.33 1yjx n LYS 61 Cb 0.52 -1.37 0.56 0.00 -0.02 0.00 0.00 35.03 34.72 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 0.20 0.00 1.97 0.11 -1.89 0.95 114.38 115.71 1yjx h ARG 62 Ca 0.04 -0.01 -0.01 0.00 0.10 0.00 0.00 59.98 60.10 1yjx h ARG 62 Cb 0.11 -0.04 -0.00 0.00 1.11 0.00 0.00 29.97 31.15 1yjx h ARG 62 CO -0.26 0.13 -0.05 0.00 0.10 0.00 0.00 179.97 179.89 1yjx h ALA 63 N 1.76 0.01 -0.37 0.08 0.00 -1.50 -2.80 119.26 116.44 1yjx h ALA 63 Ca 0.77 -0.48 0.07 0.00 0.00 0.00 0.00 54.91 55.26 1yjx h ALA 63 Cb 2.05 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 19.81 1yjx h ALA 63 CO -0.53 0.03 -0.00 0.82 0.00 0.00 0.00 179.25 179.57 1yjx h ILE 64 N -1.00 0.72 -0.38 0.00 2.04 0.25 0.81 117.51 119.95 1yjx h ILE 64 Ca -0.01 -0.03 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 1yjx h ILE 64 Cb 0.92 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.59 1yjx h ILE 64 CO -0.01 0.02 0.17 -0.09 0.00 0.00 0.00 178.15 178.24 1yjx h ARG 65 N 0.10 0.53 -0.36 2.37 2.43 0.70 0.93 114.38 121.08 1yjx h ARG 65 Ca 0.18 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.26 1yjx h ARG 65 Cb 0.25 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 1yjx h ARG 65 CO -0.30 0.42 0.11 1.15 -1.51 0.00 0.00 179.97 179.84 1yjx h THR 66 N 0.53 1.21 0.14 0.20 2.02 -0.73 -0.16 112.91 116.12 1yjx h THR 66 Ca 0.13 -0.68 0.01 0.00 0.77 0.00 0.00 66.41 66.64 1yjx h THR 66 Cb 0.07 0.98 -0.02 0.00 -1.74 0.00 0.00 68.15 67.45 1yjx h THR 66 CO -0.02 0.23 -0.15 0.25 0.37 0.00 0.00 175.52 176.20 1yjx h LEU 67 N 0.43 -0.41 -0.29 2.58 6.46 0.29 -1.14 115.31 123.23 1yjx h LEU 67 Ca 0.12 0.04 0.07 0.00 -0.12 0.00 0.00 57.88 57.98 1yjx h LEU 67 Cb 0.25 0.15 -0.07 0.00 -0.73 0.00 0.00 40.66 40.26 1yjx h LEU 67 CO -0.00 -0.23 -0.15 -0.50 -0.62 0.00 0.00 178.44 176.94 1yjx h TRP 68 N -0.33 -0.37 -0.70 1.25 4.06 -0.69 0.17 115.95 119.35 1yjx h TRP 68 Ca 0.01 0.03 0.07 0.00 2.06 0.00 0.00 58.89 61.06 1yjx h TRP 68 Cb 0.32 0.21 -0.06 0.00 -1.00 0.00 0.00 29.16 28.62 1yjx h TRP 68 CO -0.14 -0.22 0.38 1.15 -3.56 0.00 0.00 178.44 176.05 1yjx h THR 69 N -0.11 0.94 0.18 1.49 2.02 -0.72 0.50 112.91 117.20 1yjx h THR 69 Ca 0.15 -0.24 -0.01 0.00 0.77 0.00 0.00 66.41 67.09 1yjx h THR 69 Cb 0.34 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 66.94 1yjx h THR 69 CO -0.36 0.13 -0.08 0.58 0.37 0.00 0.00 175.52 176.15 1yjx h VAL 70 N 0.69 0.92 -0.92 3.16 2.07 -0.31 -0.54 116.25 121.32 1yjx h VAL 70 Ca 0.32 -0.47 0.12 0.00 0.82 0.00 0.00 66.70 67.50 1yjx h VAL 70 Cb 0.24 1.20 -0.08 0.00 -1.52 0.00 0.00 31.29 31.13 1yjx h VAL 70 CO -0.21 0.11 0.55 -0.07 0.02 0.00 0.00 177.57 177.97 1yjx h LEU 71 N -0.46 0.78 -0.23 2.57 3.38 -0.33 -0.20 115.31 120.81 1yjx h LEU 71 Ca -0.02 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1yjx h LEU 71 Cb 0.36 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1yjx h LEU 71 CO 0.04 0.40 0.10 -0.78 0.09 0.00 0.00 178.44 178.28 1yjx h ASP 72 N 0.86 0.32 -0.94 -0.43 -0.00 -0.76 0.95 116.42 116.42 1yjx h ASP 72 Ca 0.47 -0.16 0.03 0.00 -0.00 0.00 0.00 57.03 57.37 1yjx h ASP 72 Cb 0.51 -0.08 -0.05 0.00 -0.00 0.00 0.00 39.33 39.70 1yjx h ASP 72 CO -0.28 0.39 0.61 0.00 -0.00 0.00 0.00 179.24 179.96 1yjx h ALA 73 N 0.94 1.24 -0.46 -0.78 0.00 0.40 -2.39 119.26 118.21 1yjx h ALA 73 Ca 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1yjx h ALA 73 Cb 0.17 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1yjx h ALA 73 CO -0.01 0.49 0.00 0.44 0.00 0.00 0.00 179.25 180.18 1yjx n ILE 74 N -4.48 1.59 -3.87 0.00 -5.35 -0.24 -4.82 119.36 102.20 1yjx n ILE 74 Ca 0.12 -0.92 -0.29 0.00 -0.27 0.00 0.00 62.75 61.39 1yjx n ILE 74 Cb 0.08 -0.11 0.00 0.00 -1.74 0.00 0.00 39.64 37.88 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 0.66 -2.23 -2.74 7.28 4.64 -0.73 -4.91 116.55 118.52 1yjx n ASP 75 Ca 0.20 -1.03 -0.00 0.00 -1.38 0.00 0.00 54.79 52.57 1yjx n ASP 75 Cb 0.78 -3.09 0.05 0.00 -1.04 0.00 0.00 41.12 37.82 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 -4.37 1.68 0.16 -0.67 6.02 0.25 -4.86 117.38 115.60 1yjx n GLN 76 Ca -0.23 -3.44 0.13 0.00 -0.01 0.00 0.00 57.00 53.45 1yjx n GLN 76 Cb 0.65 -1.54 0.57 0.00 1.02 0.00 0.00 30.24 30.94 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 -2.00 114.93 115.30 1yjx h MET 77 Ca -0.13 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.51 1yjx h MET 77 Cb 1.31 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.97 1yjx h MET 77 CO 0.19 0.00 -0.06 -2.67 1.06 0.00 0.00 176.91 175.43 1yjx n TRP 78 N -2.35 0.00 -1.90 -0.22 4.27 -1.26 -4.89 117.44 111.09 1yjx n TRP 78 Ca 0.01 0.00 -0.39 0.00 -3.89 0.00 0.00 57.50 53.22 1yjx n TRP 78 Cb 0.16 -0.38 0.01 0.00 -1.36 0.00 0.00 31.31 29.75 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 -2.83 4.08 0.29 5.67 1.43 -0.75 -4.95 118.68 121.61 1yjx s LEU 79 Ca 0.19 2.77 -0.29 0.00 -1.03 0.00 0.00 54.13 55.77 1yjx s LEU 79 Cb 0.19 -4.02 -0.10 0.00 0.03 0.00 0.00 46.19 42.30 1yjx s LEU 79 CO 0.52 -1.15 1.10 -2.16 0.23 0.00 0.00 176.35 174.89 1yjx s PRO 80 N -2.50 4.61 0.00 1.29 0.04 -1.26 -4.90 135.00 132.28 1yjx s PRO 80 Ca 0.62 1.80 0.05 0.00 0.04 0.00 0.00 61.00 63.52 1yjx s PRO 80 Cb -0.40 -3.16 -0.02 0.00 0.04 0.00 0.00 34.50 30.96 1yjx s PRO 80 CO 0.51 0.19 -0.16 0.14 0.04 0.00 0.00 177.00 177.72 1yjx s VAL 81 N -1.18 1.30 -0.13 -0.36 -7.23 -1.26 -1.22 120.40 110.31 1yjx s VAL 81 Ca 0.45 -0.79 0.03 0.00 -1.81 0.00 0.00 61.98 59.86 1yjx s VAL 81 Cb -0.32 -1.10 0.01 0.00 0.56 0.00 0.00 36.38 35.53 1yjx s VAL 81 CO 0.41 0.30 -0.22 -0.69 -0.31 0.00 0.00 175.10 174.59 1yjx s VAL 82 N -0.49 2.13 0.01 1.32 1.01 0.85 -4.96 120.40 120.28 1yjx s VAL 82 Ca 0.06 -0.96 -0.01 0.00 0.00 0.00 0.00 61.98 61.07 1yjx s VAL 82 Cb -0.07 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.43 1yjx s VAL 82 CO -0.00 0.55 0.13 -0.13 0.00 0.00 0.00 175.10 175.65 1yjx s ARG 83 N 0.71 3.22 -0.25 2.72 0.52 -1.26 -1.17 118.95 123.45 1yjx s ARG 83 Ca -0.09 -0.44 -0.18 0.00 -0.52 0.00 0.00 55.73 54.49 1yjx s ARG 83 Cb -0.16 -2.95 0.07 0.00 0.52 0.00 0.00 34.95 32.43 1yjx s ARG 83 CO 0.01 0.64 0.63 -0.08 0.02 0.00 0.00 175.30 176.52 1yjx s THR 84 N -1.30 -0.00 0.46 0.02 -1.32 -0.34 -4.95 115.64 108.21 1yjx s THR 84 Ca 0.27 0.01 0.38 0.00 -1.21 0.00 0.00 61.69 61.14 1yjx s THR 84 Cb -0.12 -0.89 0.40 0.00 -1.51 0.00 0.00 72.50 70.38 1yjx s THR 84 CO 0.18 0.01 2.21 4.11 -2.21 0.00 0.00 174.62 178.92 1yjx h TRP 85 N 6.15 0.00 0.00 9.09 5.08 -1.89 -2.03 115.95 132.35 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 0.24 0.02 0.00 0.54 -1.28 0.00 0.00 178.44 177.95 1yjx n ARG 86 N -3.21 0.16 -0.25 0.12 1.74 -1.26 -0.38 116.66 113.59 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 0.17 -1.92 0.23 0.00 -1.02 0.00 0.00 32.46 29.92 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 -2.24 3.39 -4.65 0.55 4.77 -0.76 -4.03 117.00 114.02 1yjx n LEU 87 Ca 0.00 -1.86 -0.31 0.00 -0.03 0.00 0.00 56.01 53.81 1yjx n LEU 87 Cb 0.11 -0.33 0.18 0.00 -2.33 0.00 0.00 43.42 41.05 1yjx n LEU 87 CO 0.14 0.82 0.66 0.20 -1.33 0.00 0.00 177.39 177.88 1yjx s ASN 88 N -1.07 2.65 0.82 -1.43 -0.87 0.49 -4.20 114.94 111.32 1yjx s ASN 88 Ca 0.36 2.13 -0.10 0.00 -1.57 0.00 0.00 52.86 53.67 1yjx s ASN 88 Cb 0.19 -2.54 0.08 0.00 -0.02 0.00 0.00 41.25 38.96 1yjx s ASN 88 CO 0.25 -3.27 1.11 -0.70 -2.57 0.00 0.00 177.10 171.93 1yjx s GLU 89 N -4.62 1.87 0.25 -0.60 2.56 -1.26 -4.35 118.70 112.54 1yjx s GLU 89 Ca 0.67 1.29 -0.30 0.00 0.00 0.00 0.00 54.97 56.63 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 0.00 175.26 175.28 1yjx s ARG 90 N -4.81 4.26 -0.12 4.30 3.00 -1.26 -4.66 118.95 119.66 1yjx s ARG 90 Ca 0.63 2.31 -0.29 0.00 -1.00 0.00 0.00 55.73 57.37 1yjx s ARG 90 Cb -0.19 -3.11 -0.04 0.00 0.00 0.00 0.00 34.95 31.61 1yjx s ARG 90 CO 0.56 -0.43 1.54 -1.58 0.00 0.00 0.00 175.30 175.40 1yjx s HIS 91 N 0.02 2.24 -0.83 5.12 5.65 -1.26 -4.23 115.29 121.99 1yjx s HIS 91 Ca 0.60 0.48 0.06 0.00 0.25 0.00 0.00 55.06 56.45 1yjx s HIS 91 Cb -0.42 -3.82 0.34 0.00 -1.18 0.00 0.00 32.58 27.51 1yjx s HIS 91 CO 0.43 -3.09 1.06 0.66 -0.65 0.00 0.00 174.74 173.15 1yjx n TYR 92 N 7.25 0.84 -0.71 3.88 4.01 -1.26 -0.33 117.16 130.85 1yjx n TYR 92 Ca 0.17 -0.30 0.00 0.00 -0.16 0.00 0.00 57.90 57.61 1yjx n TYR 92 Cb 0.44 -0.25 0.00 0.00 -0.31 0.00 0.00 39.34 39.22 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 0.36 1.36 0.34 2.72 0.00 -1.25 -1.44 105.19 107.28 1yjx n GLY 93 Ca 0.12 -0.35 0.18 0.00 0.00 0.00 0.00 46.02 45.96 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 0.23 0.46 103.07 105.74 1yjx h GLY 94 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1yjx h GLY 94 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.54 177.95 1yjx h LEU 95 N 0.00 0.00 -9.27 3.11 3.38 -1.42 -3.44 115.31 107.67 1yjx h LEU 95 Ca 0.04 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 57.33 1yjx h LEU 95 Cb 0.56 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.35 1yjx h LEU 95 CO -0.00 0.00 0.70 0.41 0.09 0.00 0.00 178.44 179.64 1yjx n THR 96 N -2.81 0.15 0.00 0.22 -1.04 0.15 -0.87 114.28 110.08 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 0.27 -1.14 0.00 0.00 -1.82 0.00 0.00 70.33 67.63 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 3.32 2.99 3.77 3.41 0.00 0.88 -4.87 105.19 114.68 1yjx n GLY 97 Ca 0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 1yjx n GLY 97 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1yjx s LEU 98 N 0.00 3.65 -0.00 0.99 1.43 -0.05 -4.64 118.68 120.06 1yjx s LEU 98 Ca 0.00 2.17 -0.30 0.00 -1.03 0.00 0.00 54.13 54.97 1yjx s LEU 98 Cb 0.00 -4.58 -0.03 0.00 0.03 0.00 0.00 46.19 41.61 1yjx s LEU 98 CO 0.00 -1.37 1.05 0.21 0.23 0.00 0.00 176.35 176.47 1yjx s ASN 99 N -1.93 7.26 0.18 2.29 3.84 -1.26 -1.36 114.94 123.97 1yjx s ASN 99 Ca 0.72 1.74 -0.13 0.00 0.21 0.00 0.00 52.86 55.41 1yjx s ASN 99 Cb -0.24 -2.57 0.14 0.00 -0.55 0.00 0.00 41.25 38.03 1yjx s ASN 99 CO 0.31 -0.36 1.81 0.11 -2.79 0.00 0.00 177.10 176.18 1yjx h LYS 100 N 6.89 0.58 -0.46 0.43 1.57 -1.21 -0.20 116.57 124.17 1yjx h LYS 100 Ca -0.39 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.35 1yjx h LYS 100 Cb 1.20 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.36 1yjx h LYS 100 CO 0.79 0.39 0.27 0.00 -0.57 0.00 0.00 179.45 180.32 1yjx h ALA 101 N 1.27 0.58 -0.53 3.86 0.00 -1.93 -1.40 119.26 121.12 1yjx h ALA 101 Ca 0.23 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 1yjx h ALA 101 Cb 0.08 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1yjx h ALA 101 CO -0.13 0.08 -0.01 0.93 0.00 0.00 0.00 179.25 180.13 1yjx h GLU 102 N 0.61 0.94 -1.00 0.00 5.08 -1.87 -1.72 114.58 116.62 1yjx h GLU 102 Ca 0.16 -0.30 0.02 0.00 -1.00 0.00 0.00 59.36 58.23 1yjx h GLU 102 Cb 0.01 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.13 1yjx h GLU 102 CO -0.03 0.96 0.66 1.15 -1.00 0.00 0.00 179.01 180.75 1yjx h THR 103 N 0.81 1.24 -0.54 1.13 2.02 -0.78 0.18 112.91 116.97 1yjx h THR 103 Ca 0.15 -0.46 -0.07 0.00 0.77 0.00 0.00 66.41 66.80 1yjx h THR 103 Cb 0.54 -0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 66.72 1yjx h THR 103 CO 0.03 0.24 0.05 0.00 0.37 0.00 0.00 175.52 176.21 1yjx h ALA 104 N 1.37 1.08 -0.33 6.16 0.00 -1.01 -2.59 119.26 123.93 1yjx h ALA 104 Ca 0.37 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 1yjx h ALA 104 Cb -0.13 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 1yjx h ALA 104 CO -0.09 0.59 -0.20 0.00 0.00 0.00 0.00 179.25 179.55 1yjx h ALA 105 N 1.23 0.47 -0.63 0.00 0.00 -0.22 1.03 119.26 121.14 1yjx h ALA 105 Ca 0.16 -0.36 -0.29 0.00 0.00 0.00 0.00 54.91 54.43 1yjx h ALA 105 Cb 0.42 -0.11 -0.17 0.00 0.00 0.00 0.00 17.79 17.93 1yjx h ALA 105 CO 0.01 0.42 0.36 0.36 0.00 0.00 0.00 179.25 180.41 1yjx n LYS 106 N -4.30 2.22 0.00 0.00 0.00 0.48 -4.04 118.16 112.51 1yjx n LYS 106 Ca -0.03 -2.08 0.00 0.00 -0.00 0.00 0.00 58.31 56.20 1yjx n LYS 106 Cb 0.42 -1.85 0.00 0.00 -0.00 0.00 0.00 35.03 33.60 1yjx n LYS 106 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1yjx n HIS 107 N -0.42 0.00 -0.06 5.58 8.25 -0.99 -5.01 115.22 122.57 1yjx n HIS 107 Ca 0.37 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.83 1yjx n HIS 107 Cb 1.23 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.34 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 0.00 -2.86 0.38 -1.41 0.00 0.36 -3.38 105.19 98.28 1yjx n GLY 108 Ca 0.00 -1.27 0.20 0.00 0.00 0.00 0.00 46.02 44.95 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 0.01 0.00 0.00 1.61 4.39 -1.93 -2.06 114.58 116.60 1yjx h GLU 109 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1yjx h GLU 109 Cb 0.03 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 1yjx h GLU 109 CO 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 177.85 1yjx n ALA 110 N -2.30 -0.02 0.18 3.43 0.00 -1.26 0.51 120.51 121.04 1yjx n ALA 110 Ca 0.06 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.54 1yjx n ALA 110 Cb 0.60 0.20 0.41 0.00 0.00 0.00 0.00 19.45 20.66 1yjx n ALA 110 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1yjx h GLN 111 N 0.00 0.08 -0.55 0.00 5.75 -1.51 -2.76 115.11 116.12 1yjx h GLN 111 Ca 0.00 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.47 1yjx h GLN 111 Cb 0.00 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.52 1yjx h GLN 111 CO 0.00 0.32 0.29 -0.24 -2.65 0.00 0.00 178.83 176.55 1yjx h VAL 112 N 0.07 1.19 -0.44 2.39 3.04 -1.17 -2.78 116.25 118.56 1yjx h VAL 112 Ca 0.01 -0.50 -0.05 0.00 -1.01 0.00 0.00 66.70 65.16 1yjx h VAL 112 Cb 0.47 0.52 -0.02 0.00 -2.01 0.00 0.00 31.29 30.24 1yjx h VAL 112 CO 0.03 0.21 0.07 0.11 -1.01 0.00 0.00 177.57 176.98 1yjx h LYS 113 N 0.74 0.67 0.07 4.17 6.56 0.36 -2.21 116.57 126.93 1yjx h LYS 113 Ca 0.19 -0.14 -0.00 0.00 -1.06 0.00 0.00 60.65 59.64 1yjx h LYS 113 Cb 0.07 -0.10 0.00 0.00 -0.57 0.00 0.00 32.23 31.63 1yjx h LYS 113 CO -0.03 0.64 -0.03 0.82 -2.06 0.00 0.00 179.45 178.79 1yjx h ILE 114 N 0.65 1.05 -0.45 1.86 1.08 -1.45 0.10 117.51 120.35 1yjx h ILE 114 Ca 0.14 -0.39 0.02 0.00 -0.39 0.00 0.00 64.86 64.24 1yjx h ILE 114 Cb 0.30 1.30 -0.02 0.00 -3.07 0.00 0.00 36.82 35.33 1yjx h ILE 114 CO 0.00 0.10 0.30 -0.50 -0.69 0.00 0.00 178.15 177.36 1yjx h TRP 115 N -0.27 0.50 0.00 1.37 6.55 -1.31 -2.06 115.95 120.74 1yjx h TRP 115 Ca -0.01 0.01 -0.03 0.00 0.95 0.00 0.00 58.89 59.81 1yjx h TRP 115 Cb 0.23 -0.17 -0.00 0.00 -0.86 0.00 0.00 29.16 28.36 1yjx h TRP 115 CO -0.02 0.30 -0.42 0.00 -1.05 0.00 0.00 178.44 177.26 1yjx h ARG 116 N 0.53 0.00 -0.37 0.49 -0.00 -1.17 -3.42 114.38 110.44 1yjx h ARG 116 Ca 0.17 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.65 1yjx h ARG 116 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.02 1yjx h ARG 116 CO -0.04 0.20 0.00 2.89 0.00 0.00 0.00 179.97 183.02 1yjx n ARG 117 N -4.64 2.20 -3.08 0.04 -4.01 0.34 -4.95 116.66 102.56 1yjx n ARG 117 Ca -0.09 -1.83 -0.31 0.00 -1.04 0.00 0.00 57.85 54.59 1yjx n ARG 117 Cb 0.26 -1.45 -0.04 0.00 -3.04 0.00 0.00 32.46 28.18 1yjx n ARG 117 CO 0.00 0.00 0.00 -1.54 -3.04 0.00 0.00 177.63 173.05 1yjx s SER 118 N -1.36 6.61 -0.02 2.89 1.04 -0.77 -4.96 113.70 117.12 1yjx s SER 118 Ca 0.36 1.10 -0.19 0.00 0.48 0.00 0.00 55.95 57.71 1yjx s SER 118 Cb 0.20 -2.30 -0.33 0.00 0.10 0.00 0.00 66.02 63.69 1yjx s SER 118 CO 0.28 -0.27 0.90 0.22 0.98 0.00 0.00 173.24 175.35 1yjx h TYR 119 N 1.82 0.73 0.00 5.02 3.20 -1.92 -3.39 116.97 122.42 1yjx h TYR 119 Ca -0.47 -0.53 0.00 0.00 3.14 0.00 0.00 58.73 60.87 1yjx h TYR 119 Cb 1.18 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.42 1yjx h TYR 119 CO 0.61 1.45 -0.03 -0.40 -1.64 0.00 0.00 178.16 178.15 1yjx n ASP 120 N -3.93 2.04 -4.35 -2.11 5.68 -1.26 -1.22 116.55 111.41 1yjx n ASP 120 Ca -0.16 -2.60 -0.43 0.00 -0.50 0.00 0.00 54.79 51.10 1yjx n ASP 120 Cb 0.95 -0.26 -0.08 0.00 -1.14 0.00 0.00 41.12 40.59 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 -2.00 4.88 0.58 2.12 1.01 -1.26 -4.93 120.40 120.80 1yjx s VAL 121 Ca 0.18 -1.17 -0.17 0.00 0.00 0.00 0.00 61.98 60.82 1yjx s VAL 121 Cb 0.16 -3.93 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 1yjx s VAL 121 CO 0.02 -0.55 1.09 -2.16 0.00 0.00 0.00 175.10 173.50 1yjx s PRO 122 N 1.57 3.24 0.93 2.72 0.04 -1.26 -4.61 135.00 137.63 1yjx s PRO 122 Ca 0.04 1.39 -0.13 0.00 0.04 0.00 0.00 61.00 62.33 1yjx s PRO 122 Cb -0.24 -2.01 0.15 0.00 0.04 0.00 0.00 34.50 32.44 1yjx s PRO 122 CO 0.05 -0.90 1.16 -1.25 0.04 0.00 0.00 177.00 176.10 1yjx s PRO 123 N -3.75 0.96 0.46 0.56 0.04 -1.26 -4.94 135.00 127.06 1yjx s PRO 123 Ca 0.68 0.18 -0.23 0.00 0.04 0.00 0.00 61.00 61.66 1yjx s PRO 123 Cb -0.19 -1.83 -0.09 0.00 0.04 0.00 0.00 34.50 32.43 1yjx s PRO 123 CO 0.33 -2.30 1.08 -2.30 0.04 0.00 0.00 177.00 173.85 1yjx n PRO 124 N -3.82 1.43 -1.86 0.56 -0.02 -1.26 -4.75 135.00 125.29 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 -2.17 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 2.77 -0.53 0.52 0.02 -1.26 0.19 135.00 134.51 1yjx s PRO 125 Ca 0.65 1.76 -0.24 0.00 0.02 0.00 0.00 61.00 63.19 1yjx s PRO 125 Cb -0.52 -1.91 0.04 0.00 0.02 0.00 0.00 34.50 32.13 1yjx s PRO 125 CO 0.55 -1.35 0.92 1.41 -0.33 0.00 0.00 177.00 178.20 1yjx s MET 126 N -3.54 3.36 0.56 5.54 1.75 -0.74 -2.80 119.30 123.43 1yjx s MET 126 Ca 0.76 -0.20 -0.17 0.00 -1.25 0.00 0.00 55.69 54.82 1yjx s MET 126 Cb -0.29 -4.02 -0.05 0.00 2.84 0.00 0.00 34.83 33.30 1yjx s MET 126 CO 0.37 -1.40 1.06 -1.21 -0.65 0.00 0.00 175.02 173.18 1yjx s GLU 127 N 3.82 3.47 0.60 4.11 0.41 -1.26 -4.87 118.70 124.97 1yjx s GLU 127 Ca 0.31 1.29 0.27 0.00 -0.41 0.00 0.00 54.97 56.43 1yjx s GLU 127 Cb -0.12 -2.05 1.46 0.00 -1.78 0.00 0.00 34.13 31.64 1yjx s GLU 127 CO 0.20 -0.70 1.81 -1.35 -0.49 0.00 0.00 175.26 174.73 1yjx h PRO 128 N 0.86 0.00 -0.55 0.39 0.11 -1.99 0.36 132.00 131.18 1yjx h PRO 128 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1yjx h PRO 128 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1yjx h PRO 128 CO 0.58 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.97 1yjx n ASP 129 N -2.73 3.43 -4.76 -2.05 5.75 -1.26 -4.79 116.55 110.13 1yjx n ASP 129 Ca -0.02 -1.98 -0.40 0.00 -0.01 0.00 0.00 54.79 52.38 1yjx n ASP 129 Cb 0.36 -0.36 -0.03 0.00 -1.03 0.00 0.00 41.12 40.06 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 -1.28 3.28 0.63 2.11 2.46 0.12 -4.90 115.29 117.71 1yjx s HIS 130 Ca 0.42 1.55 0.26 0.00 0.47 0.00 0.00 55.06 57.77 1yjx s HIS 130 Cb 0.23 -3.48 1.34 0.00 -0.13 0.00 0.00 32.58 30.53 1yjx s HIS 130 CO 0.31 -1.24 1.76 -1.35 -2.47 0.00 0.00 174.74 171.75 1yjx h PRO 131 N 3.48 0.00 0.00 2.88 0.11 -1.92 -1.09 132.00 135.46 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 0.66 0.00 -0.00 1.19 -0.21 0.00 0.00 178.00 179.63 1yjx n PHE 132 N -3.26 0.00 0.13 0.65 3.72 -1.26 -4.79 117.46 112.65 1yjx n PHE 132 Ca 0.05 -0.77 -0.13 0.00 -0.05 0.00 0.00 57.45 56.55 1yjx n PHE 132 Cb 0.69 -0.11 -0.08 0.00 -0.94 0.00 0.00 39.48 39.04 1yjx n PHE 132 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 176.76 175.79 1yjx h TYR 133 N 0.00 -1.16 -0.35 1.38 3.20 -1.46 -0.94 116.97 117.64 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 0.79 0.48 -0.02 0.00 1.54 0.00 0.00 36.73 39.53 1yjx h TYR 133 CO 0.00 -0.48 0.20 0.77 -1.64 0.00 0.00 178.16 177.01 1yjx h SER 134 N -0.65 0.43 -0.93 -2.11 0.02 -1.87 -0.24 113.55 108.20 1yjx h SER 134 Ca -0.02 -0.07 0.22 0.00 -0.84 0.00 0.00 61.79 61.08 1yjx h SER 134 Cb 0.62 -0.11 -0.12 0.00 0.14 0.00 0.00 62.40 62.93 1yjx h SER 134 CO -0.17 0.38 0.48 -1.13 -1.14 0.00 0.00 176.83 175.25 1yjx h ASN 135 N 0.45 0.50 0.00 3.07 -0.73 -1.82 -1.53 115.58 115.52 1yjx h ASN 135 Ca 0.13 0.14 0.00 0.00 1.87 0.00 0.00 56.30 58.43 1yjx h ASN 135 Cb 0.04 0.07 0.00 0.00 0.27 0.00 0.00 38.32 38.70 1yjx h ASN 135 CO -0.02 0.08 0.00 -0.38 -0.37 0.00 0.00 177.43 176.74 1yjx n ILE 136 N -4.95 0.00 0.03 2.57 2.08 -0.37 -4.47 119.36 114.25 1yjx n ILE 136 Ca 0.23 0.17 0.20 0.00 0.56 0.00 0.00 62.75 63.91 1yjx n ILE 136 Cb 0.65 -0.97 0.71 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 -0.91 4.38 4.64 -1.17 -1.71 113.55 118.78 1yjx h SER 137 Ca 0.00 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.75 1yjx h SER 137 Cb 0.00 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 61.82 1yjx h SER 137 CO 0.00 0.00 0.74 0.29 -0.87 0.00 0.00 176.83 176.99 1yjx n LYS 138 N -4.25 2.41 -3.67 4.77 4.01 -0.58 -4.94 118.16 115.92 1yjx n LYS 138 Ca 0.09 -2.91 -0.37 0.00 -0.51 0.00 0.00 58.31 54.61 1yjx n LYS 138 Cb 0.58 -2.14 -0.10 0.00 -0.51 0.00 0.00 35.03 32.86 1yjx n LYS 138 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 1yjx s ASP 139 N -1.36 6.06 0.37 4.39 3.68 -0.65 -4.85 116.67 124.32 1yjx s ASP 139 Ca 0.57 0.09 0.21 0.00 2.13 0.00 0.00 52.55 55.55 1yjx s ASP 139 Cb 0.45 -2.10 1.34 0.00 -1.45 0.00 0.00 42.92 41.16 1yjx s ASP 139 CO 0.02 0.06 1.59 -0.09 0.13 0.00 0.00 175.17 176.88 1yjx h ARG 140 N 7.59 0.03 -0.98 4.34 2.43 -1.92 -0.40 114.38 125.47 1yjx h ARG 140 Ca -0.38 -0.00 0.34 0.00 -0.81 0.00 0.00 59.98 59.13 1yjx h ARG 140 Cb 1.17 -0.01 -0.17 0.00 -0.42 0.00 0.00 29.97 30.55 1yjx h ARG 140 CO 0.64 0.02 0.43 -0.09 -1.51 0.00 0.00 179.97 179.46 1yjx h ARG 141 N 0.03 0.12 -0.52 0.20 2.43 -1.95 0.01 114.38 114.70 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 2.24 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 31.76 1yjx h ARG 141 CO -0.73 0.08 0.00 0.66 -1.51 0.00 0.00 179.97 178.47 1yjx n TYR 142 N -5.23 1.53 -0.29 2.20 4.01 -0.16 -4.67 117.16 114.55 1yjx n TYR 142 Ca 0.32 -0.70 0.18 0.00 -0.16 0.00 0.00 57.90 57.53 1yjx n TYR 142 Cb 1.04 -0.35 0.46 0.00 -0.31 0.00 0.00 39.34 40.18 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 3.45 2.07 -0.06 -0.72 0.00 -1.08 -1.63 119.26 121.29 1yjx h ALA 143 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1yjx h ALA 143 Cb 1.61 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.36 1yjx h ALA 143 CO 0.31 -0.40 0.00 -0.25 0.00 0.00 0.00 179.25 178.91 1yjx n ASP 144 N -4.60 1.12 -4.60 0.00 8.00 -1.26 -4.83 116.55 110.39 1yjx n ASP 144 Ca 0.21 -1.47 -0.43 0.00 0.71 0.00 0.00 54.79 53.81 1yjx n ASP 144 Cb 0.70 -0.03 -0.03 0.00 -0.02 0.00 0.00 41.12 41.74 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 -1.82 3.81 0.91 0.64 1.02 -0.61 -5.00 118.68 117.64 1yjx s LEU 145 Ca 0.37 0.48 -0.17 0.00 0.02 0.00 0.00 54.13 54.83 1yjx s LEU 145 Cb 0.19 -3.42 -0.13 0.00 0.02 0.00 0.00 46.19 42.85 1yjx s LEU 145 CO 0.30 -1.10 -0.53 0.35 0.02 0.00 0.00 176.35 175.40 1yjx n THR 146 N 6.49 0.08 -0.32 5.49 -2.24 -1.26 -4.22 114.28 118.30 1yjx n THR 146 Ca 0.10 -0.46 0.12 0.00 -2.27 0.00 0.00 64.05 61.54 1yjx n THR 146 Cb 0.48 -0.10 0.34 0.00 -2.10 0.00 0.00 70.33 68.96 1yjx n THR 146 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1yjx h GLU 147 N -0.88 0.73 -0.37 -0.78 9.09 -1.94 0.27 114.58 120.70 1yjx h GLU 147 Ca -0.44 -0.04 -0.14 0.00 0.05 0.00 0.00 59.36 58.79 1yjx h GLU 147 Cb 1.32 -0.16 -0.01 0.00 -1.65 0.00 0.00 28.75 28.25 1yjx h GLU 147 CO 0.28 0.48 -0.33 -0.44 0.05 0.00 0.00 179.01 179.05 1yjx h ASP 148 N 0.75 0.87 -0.15 3.06 3.32 -2.03 -3.27 116.42 118.97 1yjx h ASP 148 Ca 0.50 -0.37 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 1yjx h ASP 148 Cb 0.78 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.08 1yjx h ASP 148 CO -0.27 1.12 0.04 1.56 -1.72 0.00 0.00 179.24 179.97 1yjx h GLN 149 N 0.69 0.24 -6.09 3.56 4.20 -1.24 -3.41 115.11 113.07 1yjx h GLN 149 Ca 0.07 -0.06 -0.58 0.00 0.06 0.00 0.00 58.65 58.14 1yjx h GLN 149 Cb 0.89 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.63 1yjx h GLN 149 CO 0.08 0.39 1.42 -1.17 -0.67 0.00 0.00 178.83 178.88 1yjx s LEU 150 N -9.70 3.46 0.51 1.46 1.98 -0.74 -4.95 118.68 110.70 1yjx s LEU 150 Ca -0.14 1.67 -0.08 0.00 -2.89 0.00 0.00 54.13 52.69 1yjx s LEU 150 Cb 0.06 -3.51 -0.04 0.00 0.66 0.00 0.00 46.19 43.36 1yjx s LEU 150 CO 0.71 -1.88 0.87 -2.16 -1.89 0.00 0.00 176.35 171.99 1yjx s PRO 151 N 6.12 3.62 0.00 0.98 0.04 -1.26 -4.96 135.00 139.54 1yjx s PRO 151 Ca 0.93 0.45 0.11 0.00 0.04 0.00 0.00 61.00 62.53 1yjx s PRO 151 Cb -0.29 -2.27 -0.05 0.00 0.04 0.00 0.00 34.50 31.92 1yjx s PRO 151 CO 0.34 -0.30 0.58 -1.13 0.04 0.00 0.00 177.00 176.54 1yjx n SER 152 N -2.23 0.94 0.00 6.66 3.41 -1.26 -5.00 113.62 116.14 1yjx n SER 152 Ca 0.03 -0.97 0.00 0.00 -0.26 0.00 0.00 58.87 57.67 1yjx n SER 152 Cb 0.55 0.71 0.00 0.00 -0.26 0.00 0.00 64.21 65.20 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 0.30 0.37 0.00 2.02 0.56 -4.91 118.70 115.04 1yjx s GLU 154 Ca 0.00 -0.07 0.04 0.00 0.02 0.00 0.00 54.97 54.95 1yjx s GLU 154 Cb 0.00 0.13 -0.01 0.00 0.10 0.00 0.00 34.13 34.35 1yjx s GLU 154 CO 0.00 -0.06 0.54 -1.54 0.02 0.00 0.00 175.26 174.22 1yjx s SER 155 N -0.57 5.98 0.65 -0.19 1.04 -1.26 -4.35 113.70 115.00 1yjx s SER 155 Ca -0.07 0.07 0.33 0.00 0.48 0.00 0.00 55.95 56.76 1yjx s SER 155 Cb -0.04 -1.48 1.78 0.00 0.10 0.00 0.00 66.02 66.38 1yjx s SER 155 CO 0.01 -0.49 2.03 0.17 0.98 0.00 0.00 173.24 175.94 1yjx h LEU 156 N 0.72 0.00 0.08 2.42 -0.00 -1.73 0.73 115.31 117.53 1yjx h LEU 156 Ca -0.47 0.00 -0.22 0.00 -0.00 0.00 0.00 57.88 57.19 1yjx h LEU 156 Cb 1.25 0.00 0.02 0.00 -0.00 0.00 0.00 40.66 41.93 1yjx h LEU 156 CO 0.56 0.00 -0.90 0.50 -0.00 0.00 0.00 178.44 178.60 1yjx h LYS 157 N 0.00 0.46 -0.22 0.17 3.64 -1.49 -2.91 116.57 116.23 1yjx h LYS 157 Ca 0.03 -0.61 0.04 0.00 -1.27 0.00 0.00 60.65 58.83 1yjx h LYS 157 Cb 0.56 0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 32.54 1yjx h LYS 157 CO -0.00 1.25 -0.01 -0.44 -2.27 0.00 0.00 179.45 177.98 1yjx h ASP 158 N -0.04 -0.11 0.03 4.20 3.32 -1.14 -2.01 116.42 120.67 1yjx h ASP 158 Ca -0.14 0.05 0.02 0.00 0.02 0.00 0.00 57.03 56.99 1yjx h ASP 158 Cb 1.63 0.10 -0.05 0.00 0.22 0.00 0.00 39.33 41.23 1yjx h ASP 158 CO 0.17 -0.03 -0.46 0.74 -1.72 0.00 0.00 179.24 177.94 1yjx h THR 159 N 0.05 0.09 -0.98 0.35 2.02 -1.52 -0.78 112.91 112.15 1yjx h THR 159 Ca 0.10 0.00 0.19 0.00 0.77 0.00 0.00 66.41 67.47 1yjx h THR 159 Cb 0.14 0.09 -0.09 0.00 -1.74 0.00 0.00 68.15 66.55 1yjx h THR 159 CO -0.19 0.00 0.61 0.40 0.37 0.00 0.00 175.52 176.72 1yjx h ILE 160 N -0.63 0.72 -0.80 3.11 2.04 -1.29 0.53 117.51 121.19 1yjx h ILE 160 Ca 0.03 -0.23 0.02 0.00 1.00 0.00 0.00 64.86 65.68 1yjx h ILE 160 Cb 0.69 -0.02 -0.04 0.00 -0.74 0.00 0.00 36.82 36.71 1yjx h ILE 160 CO -0.32 0.12 0.52 0.00 0.00 0.00 0.00 178.15 178.48 1yjx h ALA 161 N 1.62 1.03 -0.02 1.87 0.00 -0.42 -1.55 119.26 121.80 1yjx h ALA 161 Ca 0.54 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.40 1yjx h ALA 161 Cb 0.94 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1yjx h ALA 161 CO -0.30 0.37 -0.06 2.89 0.00 0.00 0.00 179.25 182.15 1yjx n ARG 162 N -4.56 1.68 -0.10 0.00 -4.01 -0.05 -4.21 116.66 105.41 1yjx n ARG 162 Ca 0.09 -1.12 -0.14 0.00 -1.04 0.00 0.00 57.85 55.64 1yjx n ARG 162 Cb 0.05 -1.48 -0.06 0.00 -3.04 0.00 0.00 32.46 27.94 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 0.31 0.77 -0.31 2.89 0.00 -0.02 -4.49 120.51 119.66 1yjx n ALA 163 Ca 0.16 -0.67 0.15 0.00 0.00 0.00 0.00 53.44 53.08 1yjx n ALA 163 Cb 0.41 -0.08 0.33 0.00 0.00 0.00 0.00 19.45 20.11 1yjx n ALA 163 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1yjx h LEU 164 N -1.00 0.20 -0.25 0.00 -0.00 -1.49 -1.87 115.31 110.89 1yjx h LEU 164 Ca -0.20 0.18 0.03 0.00 -0.00 0.00 0.00 57.88 57.89 1yjx h LEU 164 Cb 1.01 0.20 -0.06 0.00 -0.00 0.00 0.00 40.66 41.81 1yjx h LEU 164 CO -0.12 -0.10 -0.46 -0.65 -0.00 0.00 0.00 178.44 177.10 1yjx h PRO 165 N 0.29 -0.38 -0.58 1.13 0.11 -1.79 0.17 132.00 130.95 1yjx h PRO 165 Ca 0.59 0.03 0.12 0.00 0.11 0.00 0.00 66.00 66.84 1yjx h PRO 165 Cb 1.20 0.09 -0.11 0.00 0.11 0.00 0.00 31.00 32.29 1yjx h PRO 165 CO -0.61 -0.26 -0.08 0.35 -0.21 0.00 0.00 178.00 177.20 1yjx h PHE 166 N -0.40 -0.19 -0.30 0.65 3.57 -1.59 0.34 116.94 119.02 1yjx h PHE 166 Ca 0.05 0.05 0.06 0.00 3.53 0.00 0.00 57.97 61.65 1yjx h PHE 166 Cb 0.53 0.17 -0.08 0.00 2.79 0.00 0.00 35.95 39.36 1yjx h PHE 166 CO -0.65 -0.21 -0.44 2.35 -2.23 0.00 0.00 178.31 177.13 1yjx h TRP 167 N 0.05 -1.28 -0.23 0.41 2.91 -0.22 0.63 115.95 118.21 1yjx h TRP 167 Ca 0.29 0.06 -0.06 0.00 1.13 0.00 0.00 58.89 60.32 1yjx h TRP 167 Cb 0.46 0.60 -0.01 0.00 -0.51 0.00 0.00 29.16 29.71 1yjx h TRP 167 CO -0.42 -0.46 -0.08 -0.91 -1.03 0.00 0.00 178.44 175.53 1yjx h ASN 168 N -0.40 0.47 -0.18 2.65 2.35 0.27 0.41 115.58 121.15 1yjx h ASN 168 Ca 0.11 -0.39 -0.15 0.00 -0.55 0.00 0.00 56.30 55.32 1yjx h ASN 168 Cb 0.60 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.83 1yjx h ASN 168 CO -0.51 0.75 -0.40 -0.33 -1.65 0.00 0.00 177.43 175.29 1yjx h GLU 169 N 0.19 0.72 0.00 0.81 5.08 -0.02 -3.37 114.58 117.99 1yjx h GLU 169 Ca 0.06 -0.38 -0.17 0.00 -1.00 0.00 0.00 59.36 57.87 1yjx h GLU 169 Cb 0.56 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.79 1yjx h GLU 169 CO 0.03 0.99 -1.62 0.39 -1.00 0.00 0.00 179.01 177.80 1yjx n GLU 170 N -4.04 0.26 -0.05 2.33 -0.58 0.22 -4.72 120.64 114.05 1yjx n GLU 170 Ca -0.02 0.08 -0.07 0.00 -0.42 0.00 0.00 57.16 56.73 1yjx n GLU 170 Cb 0.53 -1.08 -0.07 0.00 -0.57 0.00 0.00 31.44 30.26 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 -0.18 0.91 -0.71 -3.67 2.04 -1.26 -3.35 117.51 111.30 1yjx h ILE 171 Ca -0.26 -1.66 0.13 0.00 1.00 0.00 0.00 64.86 64.07 1yjx h ILE 171 Cb 1.32 1.71 -0.13 0.00 -0.74 0.00 0.00 36.82 38.98 1yjx h ILE 171 CO -0.10 0.31 -0.26 0.58 0.00 0.00 0.00 178.15 178.68 1yjx h VAL 172 N -0.99 0.20 -0.63 1.67 2.07 -1.09 0.26 116.25 117.73 1yjx h VAL 172 Ca -0.00 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.65 1yjx h VAL 172 Cb 0.51 0.20 -0.11 0.00 -1.52 0.00 0.00 31.29 30.37 1yjx h VAL 172 CO 0.00 0.00 0.00 -0.65 0.02 0.00 0.00 177.57 176.94 1yjx h PRO 173 N -0.06 0.11 -0.16 1.57 0.11 -1.74 -0.16 132.00 131.67 1yjx h PRO 173 Ca 0.31 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 66.44 1yjx h PRO 173 Cb 0.56 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 31.61 1yjx h PRO 173 CO -0.76 0.07 -0.03 1.96 -0.21 0.00 0.00 178.00 179.03 1yjx h GLN 174 N 0.12 0.01 -0.68 1.05 1.08 -1.09 -1.25 115.11 114.34 1yjx h GLN 174 Ca 0.33 -0.00 0.05 0.00 -1.45 0.00 0.00 58.65 57.58 1yjx h GLN 174 Cb 0.54 -0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.92 1yjx h GLN 174 CO -0.55 0.00 0.40 0.82 -0.95 0.00 0.00 178.83 178.56 1yjx h ILE 175 N 0.01 1.02 0.00 2.54 2.04 -0.56 -0.01 117.51 122.55 1yjx h ILE 175 Ca 0.07 -0.26 -0.02 0.00 1.00 0.00 0.00 64.86 65.65 1yjx h ILE 175 Cb 0.11 0.20 -0.00 0.00 -0.74 0.00 0.00 36.82 36.39 1yjx h ILE 175 CO -0.16 0.14 -0.11 0.11 0.00 0.00 0.00 178.15 178.14 1yjx h LYS 176 N 0.75 0.00 -0.63 2.37 1.57 -0.59 0.10 116.57 120.14 1yjx h LYS 176 Ca 0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 1yjx h LYS 176 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1yjx h LYS 176 CO -0.15 0.11 0.00 0.39 -0.57 0.00 0.00 179.45 179.22 1yjx n GLU 177 N -3.75 2.24 -0.95 3.15 1.02 -0.11 -4.88 120.64 117.36 1yjx n GLU 177 Ca -0.02 -1.19 0.00 0.00 -0.02 0.00 0.00 57.16 55.93 1yjx n GLU 177 Cb 0.21 -1.59 0.00 0.00 -0.02 0.00 0.00 31.44 30.04 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 0.52 0.37 3.70 0.62 0.00 0.35 -4.98 105.19 105.77 1yjx n GLY 178 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.72 4.37 -0.51 1.61 -0.14 -0.63 -4.95 119.74 118.77 1yjx s LYS 179 Ca 0.00 1.85 -0.29 0.00 -1.36 0.00 0.00 55.97 56.17 1yjx s LYS 179 Cb 0.00 -3.41 0.03 0.00 -1.68 0.00 0.00 37.83 32.76 1yjx s LYS 179 CO 0.00 -0.39 1.20 1.03 -0.76 0.00 0.00 175.35 176.43 1yjx s ARG 180 N 1.55 3.62 0.15 1.68 3.00 -1.26 -4.22 118.95 123.47 1yjx s ARG 180 Ca 0.60 0.50 -0.13 0.00 0.00 0.00 0.00 55.73 56.71 1yjx s ARG 180 Cb -0.30 -3.96 -0.07 0.00 0.00 0.00 0.00 34.95 30.62 1yjx s ARG 180 CO 0.28 -1.52 0.53 0.08 0.00 0.00 0.00 175.30 174.66 1yjx s VAL 181 N 4.80 4.91 -0.10 3.52 1.01 -1.26 -0.43 120.40 132.84 1yjx s VAL 181 Ca 0.48 0.71 0.00 0.00 0.00 0.00 0.00 61.98 63.17 1yjx s VAL 181 Cb -0.08 -3.70 0.02 0.00 0.00 0.00 0.00 36.38 32.62 1yjx s VAL 181 CO 0.30 0.20 -0.09 -0.22 0.00 0.00 0.00 175.10 175.29 1yjx s LEU 182 N -2.09 1.33 -0.23 3.92 2.96 -0.98 -2.28 118.68 121.30 1yjx s LEU 182 Ca 0.39 -0.31 -0.01 0.00 -0.22 0.00 0.00 54.13 53.97 1yjx s LEU 182 Cb -0.14 -0.86 0.02 0.00 0.50 0.00 0.00 46.19 45.71 1yjx s LEU 182 CO 0.19 -0.08 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.42 1yjx s ILE 183 N 1.45 2.72 -0.37 6.68 1.01 0.02 -1.36 121.20 131.35 1yjx s ILE 183 Ca 0.00 -0.94 -0.08 0.00 0.00 0.00 0.00 60.65 59.64 1yjx s ILE 183 Cb -0.13 -2.31 0.05 0.00 0.01 0.00 0.00 42.46 40.07 1yjx s ILE 183 CO -0.06 0.31 0.16 0.00 0.00 0.00 0.00 174.94 175.36 1yjx s ALA 184 N 1.33 3.15 0.00 9.38 0.00 -0.51 -0.70 121.76 134.41 1yjx s ALA 184 Ca 0.02 -1.85 0.00 0.00 0.00 0.00 0.00 51.96 50.13 1yjx s ALA 184 Cb -0.15 -2.43 0.00 0.00 0.00 0.00 0.00 23.12 20.54 1yjx s ALA 184 CO -0.06 -1.43 0.00 0.00 0.00 0.00 0.00 175.76 174.27 1yjx n ALA 185 N 4.87 0.00 -2.54 0.00 0.00 -0.62 -3.79 120.51 118.43 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 1.10 2.61 0.14 0.00 3.76 -1.26 -2.38 115.29 119.26 1yjx s HIS 186 Ca 0.00 -0.39 -0.29 0.00 -0.15 0.00 0.00 55.06 54.22 1yjx s HIS 186 Cb 0.00 -1.50 -0.05 0.00 1.11 0.00 0.00 32.58 32.14 1yjx s HIS 186 CO 0.00 0.45 1.57 0.78 -0.85 0.00 0.00 174.74 176.69 1yjx h GLY 187 N 1.74 -0.75 1.32 -2.22 0.00 -1.95 0.32 103.07 101.53 1yjx h GLY 187 Ca -0.43 0.60 -0.16 0.00 0.00 0.00 0.00 47.33 47.34 1yjx h GLY 187 CO 0.65 -0.17 -0.46 3.43 0.00 0.00 0.00 176.54 179.98 1yjx h ASN 188 N -0.40 0.80 -0.46 0.19 2.35 -1.97 -1.03 115.58 115.07 1yjx h ASN 188 Ca 0.10 -0.39 -0.11 0.00 -0.55 0.00 0.00 56.30 55.35 1yjx h ASN 188 Cb 0.61 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.74 1yjx h ASN 188 CO -0.54 1.14 -0.16 0.77 -1.65 0.00 0.00 177.43 176.98 1yjx h SER 189 N 0.59 0.93 -0.42 5.81 4.64 -1.72 -2.49 113.55 120.89 1yjx h SER 189 Ca 0.03 -0.38 -0.04 0.00 -0.47 0.00 0.00 61.79 60.93 1yjx h SER 189 Cb 1.03 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 62.84 1yjx h SER 189 CO 0.10 1.10 0.13 -0.07 -0.87 0.00 0.00 176.83 177.22 1yjx h LEU 190 N 0.75 0.67 -0.86 5.97 3.38 -0.88 -1.38 115.31 122.96 1yjx h LEU 190 Ca 0.11 -0.10 0.08 0.00 0.09 0.00 0.00 57.88 58.06 1yjx h LEU 190 Cb 0.72 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 41.23 1yjx h LEU 190 CO 0.05 0.65 0.52 0.03 0.09 0.00 0.00 178.44 179.79 1yjx h ARG 191 N 0.70 0.88 -0.23 1.13 3.08 -0.81 -0.34 114.38 118.79 1yjx h ARG 191 Ca 0.16 -0.05 0.05 0.00 0.07 0.00 0.00 59.98 60.21 1yjx h ARG 191 Cb 0.24 -0.20 -0.06 0.00 0.08 0.00 0.00 29.97 30.04 1yjx h ARG 191 CO -0.00 0.58 -0.14 0.78 -1.07 0.00 0.00 179.97 180.12 1yjx h GLY 192 N 0.90 0.04 0.99 0.04 0.00 -0.82 0.42 103.07 104.64 1yjx h GLY 192 Ca 0.40 0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.89 1yjx h GLY 192 CO -0.21 -0.15 -0.12 -2.22 0.00 0.00 0.00 176.54 173.83 1yjx h ILE 193 N -0.12 0.76 -0.28 2.60 5.03 -1.14 -1.80 117.51 122.56 1yjx h ILE 193 Ca 0.13 -0.03 0.05 0.00 -0.12 0.00 0.00 64.86 64.90 1yjx h ILE 193 Cb 0.31 0.77 -0.05 0.00 -3.03 0.00 0.00 36.82 34.83 1yjx h ILE 193 CO -0.31 0.01 -0.04 0.58 -0.68 0.00 0.00 178.15 177.71 1yjx h VAL 194 N -0.35 0.75 -0.93 1.67 2.07 -0.58 0.98 116.25 119.85 1yjx h VAL 194 Ca -0.03 -0.01 0.09 0.00 0.82 0.00 0.00 66.70 67.56 1yjx h VAL 194 Cb 0.27 0.71 -0.07 0.00 -1.52 0.00 0.00 31.29 30.68 1yjx h VAL 194 CO 0.06 0.01 0.58 0.50 0.02 0.00 0.00 177.57 178.73 1yjx h LYS 195 N 0.03 0.96 -0.04 1.57 3.64 -0.06 -0.16 116.57 122.51 1yjx h LYS 195 Ca 0.14 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 1yjx h LYS 195 Cb 0.20 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 31.80 1yjx h LYS 195 CO -0.27 0.64 -0.00 1.25 -2.27 0.00 0.00 179.45 178.80 1yjx h HIS 196 N 0.99 0.08 0.04 1.91 2.76 -0.36 0.16 115.15 120.73 1yjx h HIS 196 Ca 0.43 -0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.59 1yjx h HIS 196 Cb 0.31 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.24 1yjx h HIS 196 CO -0.02 0.38 -0.05 -0.07 -1.30 0.00 0.00 177.93 176.86 1yjx h LEU 197 N -0.24 -0.15 -0.52 0.26 3.38 -0.41 -3.01 115.31 114.62 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 0.35 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1yjx h LEU 197 CO 0.00 -0.09 -0.12 -0.62 0.09 0.00 0.00 178.44 177.71 1yjx n GLU 198 N -5.16 1.06 -3.83 1.13 1.02 -0.11 -4.44 120.64 110.29 1yjx n GLU 198 Ca -0.07 -0.52 -0.29 0.00 -0.02 0.00 0.00 57.16 56.26 1yjx n GLU 198 Cb 0.09 -1.49 0.03 0.00 -0.02 0.00 0.00 31.44 30.06 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 1.24 -0.51 3.79 0.62 0.00 0.52 -4.94 105.19 105.92 1yjx n GLY 199 Ca 0.16 0.20 -0.33 0.00 0.00 0.00 0.00 46.02 46.05 1yjx n GLY 199 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1yjx s LEU 200 N -7.26 3.40 0.78 0.99 1.43 -0.91 -5.04 118.68 112.08 1yjx s LEU 200 Ca 0.64 1.89 -0.12 0.00 -1.03 0.00 0.00 54.13 55.51 1yjx s LEU 200 Cb -0.32 -4.54 0.06 0.00 0.03 0.00 0.00 46.19 41.43 1yjx s LEU 200 CO 0.79 -1.44 1.12 -0.94 0.23 0.00 0.00 176.35 176.11 1yjx s SER 201 N -2.79 4.68 0.05 2.29 1.04 -1.26 -4.81 113.70 112.90 1yjx s SER 201 Ca 0.65 1.11 -0.25 0.00 0.48 0.00 0.00 55.95 57.93 1yjx s SER 201 Cb -0.18 -1.80 -0.17 0.00 0.10 0.00 0.00 66.02 63.97 1yjx s SER 201 CO 0.41 -1.83 1.55 -0.33 0.98 0.00 0.00 173.24 174.03 1yjx h GLU 202 N -0.99 -0.15 -0.14 4.02 5.08 -1.99 -1.05 114.58 119.35 1yjx h GLU 202 Ca -0.47 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 57.95 1yjx h GLU 202 Cb 1.28 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.56 1yjx h GLU 202 CO 0.62 0.03 0.23 0.93 -1.00 0.00 0.00 179.01 179.83 1yjx h GLU 203 N -0.31 0.00 0.00 2.33 4.39 -2.00 -2.96 114.58 116.03 1yjx h GLU 203 Ca -0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1yjx h GLU 203 Cb 0.25 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 1yjx h GLU 203 CO 0.03 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 177.88 1yjx n ALA 204 N -2.20 -0.09 0.15 3.43 0.00 -0.59 -3.74 120.51 117.48 1yjx n ALA 204 Ca 0.01 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.48 1yjx n ALA 204 Cb 0.34 0.00 0.17 0.00 0.00 0.00 0.00 19.45 19.95 1yjx n ALA 204 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 1yjx n ILE 205 N -1.48 0.32 0.08 0.00 0.13 -0.50 0.98 119.36 118.89 1yjx n ILE 205 Ca 0.00 0.73 0.08 0.00 -1.10 0.00 0.00 62.75 62.46 1yjx n ILE 205 Cb 0.00 -1.73 -0.02 0.00 -0.84 0.00 0.00 39.64 37.05 1yjx n ILE 205 CO 0.00 0.00 0.00 0.23 2.80 0.00 0.00 176.55 179.58 1yjx n MET 206 N -1.84 0.61 0.00 9.51 2.81 -1.13 -3.55 117.12 123.53 1yjx n MET 206 Ca -0.00 0.15 0.13 0.00 -1.81 0.00 0.00 57.70 56.16 1yjx n MET 206 Cb 0.52 -1.82 0.36 0.00 -0.71 0.00 0.00 33.22 31.56 1yjx n MET 206 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1yjx n GLU 207 N -2.74 0.07 -3.04 0.03 4.71 0.27 -4.84 120.64 115.11 1yjx n GLU 207 Ca -0.03 -0.03 -0.40 0.00 -0.01 0.00 0.00 57.16 56.69 1yjx n GLU 207 Cb 0.63 -1.50 -0.05 0.00 -1.01 0.00 0.00 31.44 29.52 1yjx n GLU 207 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 1yjx s LEU 208 N -2.95 4.30 -0.30 -4.62 2.96 -1.13 -5.04 118.68 111.91 1yjx s LEU 208 Ca 0.13 1.17 -0.01 0.00 -0.22 0.00 0.00 54.13 55.20 1yjx s LEU 208 Cb 0.18 -3.08 0.09 0.00 0.50 0.00 0.00 46.19 43.89 1yjx s LEU 208 CO 0.64 -0.14 0.08 0.20 -1.32 0.00 0.00 176.35 175.81 1yjx s ASN 209 N 0.84 3.94 0.41 3.68 -0.87 -1.26 -5.00 114.94 116.67 1yjx s ASN 209 Ca 0.37 -1.55 -0.26 0.00 -1.57 0.00 0.00 52.86 49.84 1yjx s ASN 209 Cb -0.18 -0.89 -0.09 0.00 -0.02 0.00 0.00 41.25 40.08 1yjx s ASN 209 CO 0.17 -0.39 1.39 -0.76 -2.57 0.00 0.00 177.10 174.94 1yjx s LEU 210 N 1.60 4.23 0.64 0.60 1.43 -1.26 -4.83 118.68 121.08 1yjx s LEU 210 Ca 0.08 2.84 -0.16 0.00 -1.03 0.00 0.00 54.13 55.85 1yjx s LEU 210 Cb -0.17 -3.83 -0.01 0.00 0.03 0.00 0.00 46.19 42.20 1yjx s LEU 210 CO -0.22 -0.93 1.14 -2.84 0.23 0.00 0.00 176.35 173.73 1yjx s PRO 211 N -2.23 2.83 0.05 1.29 0.02 -1.26 -5.02 135.00 130.68 1yjx s PRO 211 Ca 0.56 1.55 -0.04 0.00 0.02 0.00 0.00 61.00 63.10 1yjx s PRO 211 Cb -0.42 -1.94 -0.05 0.00 0.02 0.00 0.00 34.50 32.11 1yjx s PRO 211 CO 0.55 -1.25 0.27 0.95 -0.33 0.00 0.00 177.00 177.19 1yjx s THR 212 N -2.07 5.31 0.00 0.99 -4.23 -1.26 -4.30 115.64 110.08 1yjx s THR 212 Ca 0.71 -0.05 0.00 0.00 -1.18 0.00 0.00 61.69 61.17 1yjx s THR 212 Cb -0.24 -3.59 0.00 0.00 1.34 0.00 0.00 72.50 70.01 1yjx s THR 212 CO 0.38 0.22 0.00 0.61 -0.54 0.00 0.00 174.62 175.29 1yjx n GLY 213 N 0.64 0.54 3.65 3.99 0.00 0.25 -4.85 105.19 109.41 1yjx n GLY 213 Ca -0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 1yjx n GLY 213 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1yjx s ILE 214 N -1.95 5.07 0.06 -0.61 1.01 -1.26 -3.64 121.20 119.88 1yjx s ILE 214 Ca 0.00 0.07 -0.30 0.00 0.00 0.00 0.00 60.65 60.42 1yjx s ILE 214 Cb 0.00 -3.32 -0.09 0.00 0.01 0.00 0.00 42.46 39.06 1yjx s ILE 214 CO 0.00 0.41 1.84 -2.84 0.00 0.00 0.00 174.94 174.36 1yjx s PRO 215 N 0.65 4.15 -0.29 2.79 0.02 -1.26 -4.51 135.00 136.55 1yjx s PRO 215 Ca 0.06 2.52 -0.10 0.00 0.02 0.00 0.00 61.00 63.50 1yjx s PRO 215 Cb -0.13 -3.87 -0.03 0.00 0.02 0.00 0.00 34.50 30.50 1yjx s PRO 215 CO 0.01 -0.87 0.16 0.42 -0.33 0.00 0.00 177.00 176.39 1yjx s ILE 216 N 3.58 4.85 -0.18 2.83 1.01 0.13 -0.88 121.20 132.54 1yjx s ILE 216 Ca 0.82 -0.17 -0.07 0.00 0.00 0.00 0.00 60.65 61.23 1yjx s ILE 216 Cb -0.42 -3.39 -0.04 0.00 0.01 0.00 0.00 42.46 38.62 1yjx s ILE 216 CO 0.37 0.16 0.06 -0.69 0.00 0.00 0.00 174.94 174.84 1yjx s VAL 217 N 1.67 4.73 -0.01 2.92 1.01 0.10 -0.22 120.40 130.60 1yjx s VAL 217 Ca 0.06 -0.05 0.07 0.00 0.00 0.00 0.00 61.98 62.06 1yjx s VAL 217 Cb -0.16 -3.13 -0.02 0.00 0.00 0.00 0.00 36.38 33.06 1yjx s VAL 217 CO 0.08 0.46 -0.22 -0.31 0.00 0.00 0.00 175.10 175.10 1yjx s TYR 218 N 0.40 2.44 -0.29 5.22 1.51 0.50 -1.51 117.35 125.61 1yjx s TYR 218 Ca 0.03 -0.35 -0.00 0.00 -1.01 0.00 0.00 57.07 55.73 1yjx s TYR 218 Cb -0.13 -1.52 0.05 0.00 -0.11 0.00 0.00 41.96 40.26 1yjx s TYR 218 CO 0.00 0.06 -0.03 -1.21 -1.11 0.00 0.00 175.55 173.26 1yjx s GLU 219 N -0.78 2.38 0.07 -0.62 2.02 -1.26 -1.45 118.70 119.06 1yjx s GLU 219 Ca 0.11 -1.28 0.02 0.00 0.02 0.00 0.00 54.97 53.83 1yjx s GLU 219 Cb -0.10 -3.10 -0.04 0.00 0.10 0.00 0.00 34.13 30.99 1yjx s GLU 219 CO 0.00 -0.60 0.13 -0.51 0.02 0.00 0.00 175.26 174.29 1yjx s LEU 220 N 1.21 4.00 0.00 1.80 1.43 -0.98 -0.05 118.68 126.09 1yjx s LEU 220 Ca -0.06 0.09 -0.02 0.00 -1.03 0.00 0.00 54.13 53.11 1yjx s LEU 220 Cb -0.20 -2.65 0.08 0.00 0.03 0.00 0.00 46.19 43.45 1yjx s LEU 220 CO -0.02 0.17 0.50 -0.90 0.23 0.00 0.00 176.35 176.33 1yjx n ASP 221 N 0.39 0.50 0.06 2.29 5.68 -0.17 -0.66 116.55 124.65 1yjx n ASP 221 Ca -0.07 -1.46 0.02 0.00 -0.50 0.00 0.00 54.79 52.77 1yjx n ASP 221 Cb 0.51 -0.34 0.11 0.00 -1.14 0.00 0.00 41.12 40.26 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 -1.97 0.03 -0.72 0.11 -0.00 -1.26 -0.35 118.16 114.00 1yjx n LYS 222 Ca 0.08 0.35 0.06 0.00 -0.00 0.00 0.00 58.31 58.80 1yjx n LYS 222 Cb 0.27 -1.90 0.15 0.00 -0.00 0.00 0.00 35.03 33.56 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 -1.52 1.57 -1.88 -5.58 3.02 -1.26 -4.94 115.26 104.67 1yjx n ASN 223 Ca -0.00 -3.31 -0.20 0.00 -0.03 0.00 0.00 54.58 51.04 1yjx n ASN 223 Cb 0.31 -0.45 -0.06 0.00 -0.61 0.00 0.00 39.78 38.97 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 -0.77 -1.57 -4.61 3.41 4.77 0.52 -4.92 117.00 113.84 1yjx n LEU 224 Ca 0.15 0.31 -0.41 0.00 -0.03 0.00 0.00 56.01 56.03 1yjx n LEU 224 Cb 0.78 -2.75 -0.07 0.00 -2.33 0.00 0.00 43.42 39.05 1yjx n LEU 224 CO -0.03 -0.72 0.36 -0.54 -1.33 0.00 0.00 177.39 175.13 1yjx s LYS 225 N -4.16 3.97 0.20 3.23 -0.14 -1.26 -4.74 119.74 116.83 1yjx s LYS 225 Ca 0.00 0.35 -0.33 0.00 -1.36 0.00 0.00 55.97 54.63 1yjx s LYS 225 Cb 0.00 -3.70 -0.14 0.00 -1.68 0.00 0.00 37.83 32.31 1yjx s LYS 225 CO 0.00 -0.50 1.46 -2.30 -0.76 0.00 0.00 175.35 173.24 1yjx n PRO 226 N 5.79 1.99 -0.47 -1.68 -0.02 -1.26 -1.00 135.00 138.35 1yjx n PRO 226 Ca -0.01 0.71 0.09 0.00 -2.02 0.00 0.00 63.50 62.27 1yjx n PRO 226 Cb 0.49 -2.40 0.30 0.00 -0.02 0.00 0.00 33.50 31.87 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 2.49 1.34 -3.57 4.25 -5.35 0.93 -4.86 119.36 114.58 1yjx n ILE 227 Ca 0.14 -0.97 0.03 0.00 -0.27 0.00 0.00 62.75 61.68 1yjx n ILE 227 Cb 0.29 0.20 -0.00 0.00 -1.74 0.00 0.00 39.64 38.39 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 -1.58 0.05 0.73 6.28 -2.85 -1.26 -5.07 119.74 116.04 1yjx s LYS 228 Ca 0.44 -0.03 -0.13 0.00 -1.00 0.00 0.00 55.97 55.25 1yjx s LYS 228 Cb 0.27 0.02 0.04 0.00 -2.06 0.00 0.00 37.83 36.09 1yjx s LYS 228 CO 0.24 -0.02 1.13 -1.25 0.10 0.00 0.00 175.35 175.55 1yjx s PRO 229 N -2.05 2.34 0.37 1.78 0.04 -1.26 -4.80 135.00 131.41 1yjx s PRO 229 Ca 0.14 1.42 -0.28 0.00 0.04 0.00 0.00 61.00 62.32 1yjx s PRO 229 Cb 0.06 -1.89 -0.11 0.00 0.04 0.00 0.00 34.50 32.60 1yjx s PRO 229 CO -0.06 -1.62 1.49 0.00 0.04 0.00 0.00 177.00 176.85 1yjx n MET 230 N -2.96 2.65 -4.38 4.56 0.00 -1.26 -4.92 117.12 110.81 1yjx n MET 230 Ca 0.11 0.93 -0.31 0.00 0.00 0.00 0.00 57.70 58.43 1yjx n MET 230 Cb 0.52 -2.66 -0.10 0.00 0.00 0.00 0.00 33.22 30.98 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 -1.90 2.36 -0.12 3.17 -0.21 -0.57 -4.95 119.66 117.44 1yjx s GLN 231 Ca 0.55 -0.86 -0.04 0.00 0.02 0.00 0.00 55.36 55.02 1yjx s GLN 231 Cb -0.48 -2.41 -0.04 0.00 1.00 0.00 0.00 33.01 31.09 1yjx s GLN 231 CO 0.62 0.56 0.04 -0.06 -2.12 0.00 0.00 175.29 174.33 1yjx s PHE 232 N -1.09 3.27 -0.16 0.91 2.99 -1.26 0.03 117.98 122.66 1yjx s PHE 232 Ca 0.19 0.21 -0.08 0.00 0.00 0.00 0.00 56.93 57.25 1yjx s PHE 232 Cb -0.11 -1.89 -0.04 0.00 0.00 0.00 0.00 43.02 40.97 1yjx s PHE 232 CO 0.10 0.43 0.11 -0.51 -0.00 0.00 0.00 175.22 175.35 1yjx s LEU 233 N -0.57 4.14 0.00 -0.37 1.43 -0.06 -4.90 118.68 118.36 1yjx s LEU 233 Ca 0.10 0.27 0.00 0.00 -1.03 0.00 0.00 54.13 53.48 1yjx s LEU 233 Cb -0.12 -2.04 0.00 0.00 0.03 0.00 0.00 46.19 44.06 1yjx s LEU 233 CO 0.02 0.27 0.00 0.61 0.23 0.00 0.00 176.35 177.48 1yjx n GLY 234 N 2.92 -0.19 3.74 -3.19 0.00 -1.26 -4.02 105.19 103.19 1yjx n GLY 234 Ca -0.18 -1.53 -0.41 0.00 0.00 0.00 0.00 46.02 43.90 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 7.27 0.05 1.61 -4.77 -1.26 -4.57 116.67 115.00 1yjx s ASP 235 Ca 0.00 2.14 -0.03 0.00 -3.30 0.00 0.00 52.55 51.36 1yjx s ASP 235 Cb 0.00 -2.61 0.06 0.00 -1.09 0.00 0.00 42.92 39.28 1yjx s ASP 235 CO 0.00 -0.19 0.33 -1.84 0.70 0.00 0.00 175.17 174.17 1yjx n GLU 236 N 2.03 -0.04 -0.17 2.11 -0.00 -1.26 0.66 120.64 123.97 1yjx n GLU 236 Ca 0.02 0.33 -0.05 0.00 -0.00 0.00 0.00 57.16 57.46 1yjx n GLU 236 Cb 0.46 -0.49 0.01 0.00 -0.00 0.00 0.00 31.44 31.41 1yjx n GLU 236 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.13 178.18 1yjx h GLU 237 N 0.00 -0.16 0.02 3.44 -0.00 -1.98 1.22 114.58 117.12 1yjx h GLU 237 Ca 0.08 0.01 -0.00 0.00 -0.00 0.00 0.00 59.36 59.45 1yjx h GLU 237 Cb 0.13 0.04 0.00 0.00 -0.00 0.00 0.00 28.75 28.92 1yjx h GLU 237 CO -0.21 -0.11 -0.01 1.15 -0.00 0.00 0.00 179.01 179.83 1yjx h THR 238 N -0.16 1.48 0.00 -1.06 2.02 -0.13 -2.27 112.91 112.79 1yjx h THR 238 Ca 0.22 -1.61 0.00 0.00 0.77 0.00 0.00 66.41 65.80 1yjx h THR 238 Cb 0.53 2.54 0.00 0.00 -1.74 0.00 0.00 68.15 69.48 1yjx h THR 238 CO -0.61 0.41 0.00 1.62 0.37 0.00 0.00 175.52 177.30 1yjx h VAL 239 N -0.73 0.00 0.00 3.16 3.04 -1.07 -2.51 116.25 118.13 1yjx h VAL 239 Ca -0.00 -0.24 -0.10 0.00 -1.01 0.00 0.00 66.70 65.35 1yjx h VAL 239 Cb 0.68 1.12 -0.01 0.00 -2.01 0.00 0.00 31.29 31.07 1yjx h VAL 239 CO 0.00 0.00 -0.71 0.03 -1.01 0.00 0.00 177.57 175.88 1yjx h ARG 240 N 0.00 0.00 -0.71 4.17 -0.00 0.15 -3.08 114.38 114.91 1yjx h ARG 240 Ca 0.00 0.00 0.17 0.00 -0.50 0.00 0.00 59.98 59.65 1yjx h ARG 240 Cb 0.26 0.00 -0.04 0.00 0.00 0.00 0.00 29.97 30.19 1yjx h ARG 240 CO 0.00 0.56 0.49 1.57 0.00 0.00 0.00 179.97 182.58 1yjx h LYS 241 N -1.00 0.23 -0.20 0.04 2.10 -1.38 0.55 116.57 116.91 1yjx h LYS 241 Ca -0.15 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.49 1yjx h LYS 241 Cb 0.86 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 32.14 1yjx h LYS 241 CO -0.09 0.15 0.00 0.00 -2.00 0.00 0.00 179.45 177.51 1yjx n ALA 242 N -2.58 2.49 -0.03 0.07 0.00 -0.95 -3.91 120.51 115.60 1yjx n ALA 242 Ca 0.14 -0.68 -0.16 0.00 0.00 0.00 0.00 53.44 52.74 1yjx n ALA 242 Cb 0.62 -1.00 -0.14 0.00 0.00 0.00 0.00 19.45 18.93 1yjx n ALA 242 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1yjx n MET 243 N 0.79 0.70 -0.05 0.00 2.81 0.19 -3.77 117.12 117.79 1yjx n MET 243 Ca 0.17 0.24 -0.03 0.00 -1.81 0.00 0.00 57.70 56.27 1yjx n MET 243 Cb 0.45 -1.70 0.21 0.00 -0.71 0.00 0.00 33.22 31.47 1yjx n MET 243 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 1yjx h GLU 244 N 0.04 0.64 0.39 0.03 5.08 -1.56 -2.96 114.58 116.23 1yjx h GLU 244 Ca -0.41 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 57.76 1yjx h GLU 244 Cb 2.03 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 31.19 1yjx h GLU 244 CO 0.06 0.70 -0.37 0.00 -1.00 0.00 0.00 179.01 178.40 1yjx h ALA 245 N 1.34 -1.06 0.00 3.43 0.00 -1.70 -3.53 119.26 117.74 1yjx h ALA 245 Ca 0.11 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1yjx h ALA 245 Cb 0.47 0.59 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1yjx h ALA 245 CO 0.02 -1.08 0.00 1.55 0.00 0.00 0.00 179.25 179.75