#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oyj n GLU 4 N 0.00 0.00 -2.06 3.49 2.13 -1.26 -4.92 120.64 118.02 1oyj n GLU 4 Ca 0.00 0.00 -0.32 0.00 0.66 0.00 0.00 57.16 57.50 1oyj n GLU 4 Cb 0.00 -0.12 0.01 0.00 0.27 0.00 0.00 31.44 31.60 1oyj n GLU 4 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1oyj s LYS 5 N 0.13 3.40 0.27 5.31 1.02 -1.26 -4.98 119.74 123.62 1oyj s LYS 5 Ca 0.08 1.13 -0.03 0.00 0.02 0.00 0.00 55.97 57.17 1oyj s LYS 5 Cb -0.11 -2.05 0.37 0.00 -0.52 0.00 0.00 37.83 35.52 1oyj s LYS 5 CO 0.06 -0.74 1.91 0.93 -0.92 0.00 0.00 175.35 176.58 1oyj h GLU 6 N 0.40 1.20 -4.96 1.68 3.07 -1.91 -3.42 114.58 110.64 1oyj h GLU 6 Ca -0.46 -0.07 -0.66 0.00 -0.50 0.00 0.00 59.36 57.67 1oyj h GLU 6 Cb 1.21 -0.27 -0.26 0.00 -0.84 0.00 0.00 28.75 28.60 1oyj h GLU 6 CO 0.58 0.79 -0.68 -0.51 -1.40 0.00 0.00 179.01 177.79 1oyj s LEU 7 N -10.12 3.17 -0.09 1.33 1.43 -1.26 -0.47 118.68 112.67 1oyj s LEU 7 Ca -0.12 -0.35 0.04 0.00 -1.03 0.00 0.00 54.13 52.67 1oyj s LEU 7 Cb 0.19 -1.82 0.00 0.00 0.03 0.00 0.00 46.19 44.60 1oyj s LEU 7 CO 0.81 -0.04 -0.22 -0.69 0.23 0.00 0.00 176.35 176.45 1oyj s VAL 8 N 1.53 1.86 -0.17 -1.59 1.01 -0.38 -0.69 120.40 121.97 1oyj s VAL 8 Ca 0.06 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 61.14 1oyj s VAL 8 Cb -0.15 -1.62 0.02 0.00 0.00 0.00 0.00 36.38 34.63 1oyj s VAL 8 CO -0.00 0.52 -0.20 -0.22 0.00 0.00 0.00 175.10 175.20 1oyj s LEU 9 N 0.37 2.18 -0.18 3.92 1.98 -0.06 -0.12 118.68 126.76 1oyj s LEU 9 Ca -0.17 -0.62 -0.16 0.00 -2.89 0.00 0.00 54.13 50.29 1oyj s LEU 9 Cb -0.17 -1.49 -0.04 0.00 0.66 0.00 0.00 46.19 45.15 1oyj s LEU 9 CO 0.08 0.02 0.40 -0.76 -1.89 0.00 0.00 176.35 174.20 1oyj s LEU 10 N 1.15 4.19 0.00 -0.68 1.43 0.04 -0.67 118.68 124.15 1oyj s LEU 10 Ca 0.01 0.58 -0.08 0.00 -1.03 0.00 0.00 54.13 53.61 1oyj s LEU 10 Cb -0.14 -2.54 0.03 0.00 0.03 0.00 0.00 46.19 43.58 1oyj s LEU 10 CO -0.09 -0.04 0.59 -0.67 0.23 0.00 0.00 176.35 176.37 1oyj n ASP 11 N 4.18 -1.69 -3.73 2.29 -0.08 -0.16 -2.10 116.55 115.26 1oyj n ASP 11 Ca -0.08 -2.57 -0.15 0.00 -1.51 0.00 0.00 54.79 50.48 1oyj n ASP 11 Cb 0.51 2.93 -0.16 0.00 2.34 0.00 0.00 41.12 46.75 1oyj n ASP 11 CO 0.00 0.00 0.00 0.12 0.12 0.00 0.00 177.20 177.44 1oyj s PHE 12 N -2.99 -0.06 0.29 -0.67 5.36 -1.26 0.33 117.98 118.98 1oyj s PHE 12 Ca 0.20 0.34 0.03 0.00 -0.96 0.00 0.00 56.93 56.54 1oyj s PHE 12 Cb -0.03 -0.22 0.67 0.00 -0.34 0.00 0.00 43.02 43.10 1oyj s PHE 12 CO 0.14 -0.15 1.76 0.11 -1.46 0.00 0.00 175.22 175.62 1oyj h TRP 13 N 7.58 0.90 -0.29 10.12 5.08 -1.96 -1.25 115.95 136.13 1oyj h TRP 13 Ca -0.36 0.04 0.00 0.00 1.08 0.00 0.00 58.89 59.64 1oyj h TRP 13 Cb 1.13 -0.26 0.00 0.00 -3.00 0.00 0.00 29.16 27.03 1oyj h TRP 13 CO 0.47 0.17 0.00 1.55 -1.28 0.00 0.00 178.44 179.35 1oyj n VAL 14 N -4.85 0.37 -1.88 0.12 3.14 -1.26 -4.92 118.33 109.05 1oyj n VAL 14 Ca 0.21 -0.66 -0.42 0.00 -2.96 0.00 0.00 64.34 60.51 1oyj n VAL 14 Cb 0.54 1.04 -0.03 0.00 -1.06 0.00 0.00 33.84 34.34 1oyj n VAL 14 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 1oyj s SER 15 N -1.61 6.54 0.38 6.55 0.15 -0.47 -4.88 113.70 120.35 1oyj s SER 15 Ca 0.36 2.36 0.07 0.00 0.70 0.00 0.00 55.95 59.44 1oyj s SER 15 Cb 0.22 -2.53 0.74 0.00 -1.71 0.00 0.00 66.02 62.74 1oyj s SER 15 CO 0.31 -1.02 1.93 -0.65 1.20 0.00 0.00 173.24 175.02 1oyj h PRO 16 N 10.13 0.39 -0.42 5.44 0.11 -1.91 -0.31 132.00 145.43 1oyj h PRO 16 Ca -0.43 -0.07 -0.07 0.00 0.11 0.00 0.00 66.00 65.54 1oyj h PRO 16 Cb 1.20 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 1oyj h PRO 16 CO 0.95 0.43 -0.00 0.74 -0.21 0.00 0.00 178.00 179.91 1oyj h PHE 17 N 0.38 0.82 -0.24 0.65 -1.00 -1.95 -2.32 116.94 113.28 1oyj h PHE 17 Ca 0.09 -0.14 -0.17 0.00 2.81 0.00 0.00 57.97 60.55 1oyj h PHE 17 Cb 0.27 -0.21 -0.00 0.00 3.61 0.00 0.00 35.95 39.61 1oyj h PHE 17 CO 0.01 0.81 -0.54 0.78 -1.61 0.00 0.00 178.31 177.76 1oyj h GLY 18 N 0.58 0.78 1.02 -1.45 0.00 -1.80 -3.10 103.07 99.11 1oyj h GLY 18 Ca 0.12 -0.91 0.07 0.00 0.00 0.00 0.00 47.33 46.61 1oyj h GLY 18 CO 0.02 0.81 0.47 1.46 0.00 0.00 0.00 176.54 179.31 1oyj h GLN 19 N 0.55 0.70 -0.71 4.80 4.20 -0.93 0.40 115.11 124.12 1oyj h GLN 19 Ca 0.01 -0.04 0.14 0.00 0.06 0.00 0.00 58.65 58.82 1oyj h GLN 19 Cb 1.11 -0.16 -0.10 0.00 0.30 0.00 0.00 27.48 28.64 1oyj h GLN 19 CO 0.11 0.46 0.24 0.00 -0.67 0.00 0.00 178.83 178.97 1oyj h ARG 20 N 0.72 0.36 -0.11 1.46 3.08 -1.34 0.20 114.38 118.75 1oyj h ARG 20 Ca 0.31 -0.02 -0.23 0.00 0.07 0.00 0.00 59.98 60.11 1oyj h ARG 20 Cb 0.30 -0.08 0.01 0.00 0.08 0.00 0.00 29.97 30.28 1oyj h ARG 20 CO -0.11 0.24 -0.84 0.00 -1.07 0.00 0.00 179.97 178.19 1oyj h ARG 22 N 0.50 0.91 -0.50 0.00 3.08 -0.90 -1.16 114.38 116.31 1oyj h ARG 22 Ca -0.07 -0.10 -0.07 0.00 0.07 0.00 0.00 59.98 59.81 1oyj h ARG 22 Cb 1.48 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 31.32 1oyj h ARG 22 CO 0.17 0.68 0.05 0.82 -1.07 0.00 0.00 179.97 180.62 1oyj h ILE 23 N 0.90 1.26 -0.75 2.04 2.04 -0.84 -1.60 117.51 120.55 1oyj h ILE 23 Ca 0.23 -0.99 -0.05 0.00 1.00 0.00 0.00 64.86 65.05 1oyj h ILE 23 Cb 0.02 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 36.98 1oyj h ILE 23 CO -0.04 0.35 0.25 0.00 0.00 0.00 0.00 178.15 178.72 1oyj h ALA 24 N 0.96 1.03 -0.43 1.87 0.00 -0.97 0.15 119.26 121.87 1oyj h ALA 24 Ca 0.15 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 1oyj h ALA 24 Cb 0.44 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1oyj h ALA 24 CO 0.02 0.66 -0.21 0.52 0.00 0.00 0.00 179.25 180.23 1oyj h MET 25 N 1.11 0.87 -0.17 0.00 2.86 -1.08 -2.09 114.93 116.43 1oyj h MET 25 Ca 0.25 -0.35 -0.18 0.00 -2.06 0.00 0.00 59.70 57.35 1oyj h MET 25 Cb 0.28 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 31.90 1oyj h MET 25 CO -0.01 1.00 -0.62 0.00 1.06 0.00 0.00 176.91 178.34 1oyj h ALA 26 N 1.00 0.60 0.00 6.32 0.00 -0.57 0.16 119.26 126.78 1oyj h ALA 26 Ca 0.10 -0.54 -0.05 0.00 0.00 0.00 0.00 54.91 54.42 1oyj h ALA 26 Cb 0.75 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1oyj h ALA 26 CO 0.06 0.70 -0.24 0.93 0.00 0.00 0.00 179.25 180.71 1oyj h GLU 27 N 0.44 0.00 -0.01 0.00 4.39 -0.61 -2.21 114.58 116.58 1oyj h GLU 27 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1oyj h GLU 27 Cb 1.18 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 1oyj h GLU 27 CO 0.12 0.24 -0.00 1.63 -1.16 0.00 0.00 179.01 179.83 1oyj n LYS 28 N -4.22 1.55 -1.85 2.33 5.02 -0.58 -4.75 118.16 115.66 1oyj n LYS 28 Ca -0.02 -0.81 -0.11 0.00 -2.02 0.00 0.00 58.31 55.34 1oyj n LYS 28 Cb 0.29 -1.48 -0.02 0.00 -0.02 0.00 0.00 35.03 33.80 1oyj n LYS 28 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1oyj n GLY 29 N 1.15 0.45 3.68 0.72 0.00 -0.62 -4.76 105.19 105.82 1oyj n GLY 29 Ca 0.20 -0.45 -0.36 0.00 0.00 0.00 0.00 46.02 45.41 1oyj n GLY 29 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1oyj s LEU 30 N -2.98 4.12 0.40 0.99 1.43 0.46 -5.02 118.68 118.09 1oyj s LEU 30 Ca 0.00 0.15 -0.15 0.00 -1.03 0.00 0.00 54.13 53.11 1oyj s LEU 30 Cb 0.00 -2.09 -0.08 0.00 0.03 0.00 0.00 46.19 44.05 1oyj s LEU 30 CO 0.00 0.12 0.83 -1.61 0.23 0.00 0.00 176.35 175.92 1oyj s GLU 31 N 0.72 3.96 0.09 1.70 0.41 -1.26 -4.39 118.70 119.93 1oyj s GLU 31 Ca 0.07 0.74 -0.18 0.00 -0.41 0.00 0.00 54.97 55.19 1oyj s GLU 31 Cb -0.12 -2.32 0.04 0.00 -1.78 0.00 0.00 34.13 29.95 1oyj s GLU 31 CO 0.01 -0.02 0.44 -0.59 -0.49 0.00 0.00 175.26 174.62 1oyj s PHE 32 N -2.27 -0.29 -0.01 1.61 -0.12 -1.26 -4.55 117.98 111.09 1oyj s PHE 32 Ca 0.55 0.13 -0.18 0.00 -0.05 0.00 0.00 56.93 57.39 1oyj s PHE 32 Cb -0.10 0.29 -0.05 0.00 -0.63 0.00 0.00 43.02 42.53 1oyj s PHE 32 CO 0.24 -0.67 0.51 -2.00 -0.05 0.00 0.00 175.22 173.26 1oyj s GLU 33 N -3.17 4.19 -0.15 1.99 2.12 0.13 -4.98 118.70 118.84 1oyj s GLU 33 Ca -0.01 0.59 -0.04 0.00 0.36 0.00 0.00 54.97 55.87 1oyj s GLU 33 Cb 0.00 -3.31 -0.03 0.00 0.26 0.00 0.00 34.13 31.06 1oyj s GLU 33 CO -0.07 0.47 -0.03 -0.47 -0.54 0.00 0.00 175.26 174.61 1oyj s TYR 34 N -0.45 3.04 -0.12 5.30 5.04 -1.26 -0.88 117.35 128.02 1oyj s TYR 34 Ca 0.27 -0.22 0.02 0.00 -2.44 0.00 0.00 57.07 54.71 1oyj s TYR 34 Cb -0.17 -1.94 0.01 0.00 0.35 0.00 0.00 41.96 40.20 1oyj s TYR 34 CO 0.15 0.03 -0.20 1.03 -1.34 0.00 0.00 175.55 175.22 1oyj s ARG 35 N 0.22 2.73 -0.08 4.97 0.52 0.16 -4.96 118.95 122.50 1oyj s ARG 35 Ca -0.02 -0.75 -0.26 0.00 -0.52 0.00 0.00 55.73 54.18 1oyj s ARG 35 Cb -0.14 -2.21 -0.03 0.00 0.52 0.00 0.00 34.95 33.09 1oyj s ARG 35 CO 0.03 -0.01 0.85 -2.00 0.02 0.00 0.00 175.30 174.19 1oyj s GLU 36 N 0.81 4.43 -0.10 3.54 2.56 -1.26 -0.98 118.70 127.71 1oyj s GLU 36 Ca -0.08 1.13 -0.05 0.00 0.00 0.00 0.00 54.97 55.97 1oyj s GLU 36 Cb -0.16 -3.49 -0.04 0.00 2.00 0.00 0.00 34.13 32.44 1oyj s GLU 36 CO -0.00 -0.11 0.09 -1.21 -0.56 0.00 0.00 175.26 173.46 1oyj s GLU 37 N 1.35 3.27 -0.35 4.30 0.41 0.15 -4.90 118.70 122.93 1oyj s GLU 37 Ca 0.43 -0.25 -0.18 0.00 -0.41 0.00 0.00 54.97 54.56 1oyj s GLU 37 Cb -0.18 -3.04 -0.00 0.00 -1.78 0.00 0.00 34.13 29.13 1oyj s GLU 37 CO 0.19 0.74 0.52 0.34 -0.49 0.00 0.00 175.26 176.57 1oyj s ASP 38 N -1.06 6.33 0.00 -0.19 -1.08 -1.26 -4.71 116.67 114.69 1oyj s ASP 38 Ca 0.15 0.00 0.21 0.00 -0.52 0.00 0.00 52.55 52.40 1oyj s ASP 38 Cb -0.12 -2.27 0.99 0.00 -1.46 0.00 0.00 42.92 40.06 1oyj s ASP 38 CO 0.05 -0.48 1.66 0.18 0.52 0.00 0.00 175.17 177.10 1oyj n LEU 39 N 5.75 0.00 -0.09 -1.34 4.77 -1.26 -0.41 117.00 124.43 1oyj n LEU 39 Ca -0.04 0.36 0.11 0.00 -0.03 0.00 0.00 56.01 56.41 1oyj n LEU 39 Cb 0.49 -0.36 0.06 0.00 -2.33 0.00 0.00 43.42 41.28 1oyj n LEU 39 CO 0.45 -0.11 0.22 0.61 -1.33 0.00 0.00 177.39 177.23 1oyj n GLY 40 N 0.53 -0.91 2.40 -0.72 0.00 -1.26 -4.60 105.19 100.63 1oyj n GLY 40 Ca 0.08 -0.51 -0.19 0.00 0.00 0.00 0.00 46.02 45.40 1oyj n GLY 40 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1oyj n ASN 41 N -1.24 -0.97 -4.77 1.61 4.05 0.46 -5.12 115.26 109.28 1oyj n ASN 41 Ca 0.06 -2.80 -0.39 0.00 0.45 0.00 0.00 54.58 51.91 1oyj n ASN 41 Cb 0.35 0.16 -0.01 0.00 1.23 0.00 0.00 39.78 41.51 1oyj n ASN 41 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 1oyj s LYS 42 N -0.35 3.96 0.65 1.20 1.02 -1.05 -4.38 119.74 120.79 1oyj s LYS 42 Ca 0.34 1.96 -0.14 0.00 0.02 0.00 0.00 55.97 58.15 1oyj s LYS 42 Cb 0.15 -2.67 -0.01 0.00 -0.52 0.00 0.00 37.83 34.78 1oyj s LYS 42 CO -0.15 -0.43 1.07 -1.54 -0.92 0.00 0.00 175.35 173.37 1oyj s SER 43 N -1.00 5.45 0.41 2.83 1.04 -1.26 -4.89 113.70 116.28 1oyj s SER 43 Ca 0.58 1.79 0.08 0.00 0.48 0.00 0.00 55.95 58.87 1oyj s SER 43 Cb -0.34 -2.52 0.87 0.00 0.10 0.00 0.00 66.02 64.13 1oyj s SER 43 CO 0.42 -1.39 2.04 0.44 0.98 0.00 0.00 173.24 175.73 1oyj h ASP 44 N -0.10 0.48 -0.37 7.02 3.32 -1.99 -0.75 116.42 124.03 1oyj h ASP 44 Ca -0.46 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 56.56 1oyj h ASP 44 Cb 1.22 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.64 1oyj h ASP 44 CO 0.56 0.34 0.13 0.25 -1.72 0.00 0.00 179.24 178.80 1oyj h LEU 45 N 0.56 0.53 -0.34 1.55 5.85 -1.99 0.27 115.31 121.74 1oyj h LEU 45 Ca 0.18 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 1oyj h LEU 45 Cb 0.03 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 1oyj h LEU 45 CO -0.04 0.58 0.18 0.25 -0.34 0.00 0.00 178.44 179.06 1oyj h LEU 46 N 0.45 0.44 -1.43 2.25 5.85 -1.69 -0.19 115.31 120.98 1oyj h LEU 46 Ca 0.12 -0.10 -0.05 0.00 0.84 0.00 0.00 57.88 58.69 1oyj h LEU 46 Cb 0.23 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 1oyj h LEU 46 CO -0.01 0.41 -0.15 -0.07 -0.34 0.00 0.00 178.44 178.28 1oyj h LEU 47 N 0.43 0.17 -0.15 2.25 3.38 -0.96 -0.98 115.31 119.45 1oyj h LEU 47 Ca 0.12 -0.04 -0.18 0.00 0.09 0.00 0.00 57.88 57.87 1oyj h LEU 47 Cb 0.08 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 1oyj h LEU 47 CO -0.02 0.35 -0.87 -0.09 0.09 0.00 0.00 178.44 177.90 1oyj h ARG 48 N 0.17 0.00 0.13 1.13 2.43 -0.75 -3.16 114.38 114.34 1oyj h ARG 48 Ca 0.03 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 58.87 1oyj h ARG 48 Cb 0.38 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 1oyj h ARG 48 CO 0.02 0.87 -1.73 0.77 -1.51 0.00 0.00 179.97 178.39 1oyj h SER 49 N 0.00 0.44 -2.11 -3.80 0.02 -0.38 -3.39 113.55 104.34 1oyj h SER 49 Ca -0.01 -0.73 -0.57 0.00 -0.84 0.00 0.00 61.79 59.64 1oyj h SER 49 Cb 1.60 -0.14 -0.41 0.00 0.14 0.00 0.00 62.40 63.59 1oyj h SER 49 CO 0.11 1.63 -0.86 -3.20 -1.14 0.00 0.00 176.83 173.36 1oyj n ASN 50 N -3.47 2.20 0.27 3.07 5.15 -0.43 -4.82 115.26 117.23 1oyj n ASN 50 Ca -0.23 -3.15 0.16 0.00 -0.60 0.00 0.00 54.58 50.75 1oyj n ASN 50 Cb 1.06 -0.64 0.73 0.00 -0.53 0.00 0.00 39.78 40.40 1oyj n ASN 50 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1oyj h PRO 51 N 3.79 0.00 -0.01 1.20 0.13 -1.75 0.29 132.00 135.66 1oyj h PRO 51 Ca 0.13 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.25 1oyj h PRO 51 Cb 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 1oyj h PRO 51 CO 0.66 0.07 -0.05 0.28 -0.23 0.00 0.00 178.00 178.72 1oyj h VAL 52 N 0.00 1.56 0.00 1.56 2.07 -1.90 -3.38 116.25 116.16 1oyj h VAL 52 Ca -0.00 -1.71 -0.01 0.00 0.82 0.00 0.00 66.70 65.81 1oyj h VAL 52 Cb 0.45 2.69 -0.00 0.00 -1.52 0.00 0.00 31.29 32.90 1oyj h VAL 52 CO 0.01 0.45 -1.81 1.41 0.02 0.00 0.00 177.57 177.65 1oyj n HIS 53 N -4.70 0.00 -3.26 1.57 8.25 -1.22 -5.00 115.22 110.86 1oyj n HIS 53 Ca -0.09 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.13 1oyj n HIS 53 Cb 0.38 -0.41 0.02 0.00 1.12 0.00 0.00 29.99 31.10 1oyj n HIS 53 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1oyj n ARG 54 N -2.12 -4.44 -4.44 -0.41 1.74 0.10 -4.99 116.66 102.11 1oyj n ARG 54 Ca -0.04 0.70 -0.25 0.00 -0.77 0.00 0.00 57.85 57.49 1oyj n ARG 54 Cb 0.47 -5.51 -0.11 0.00 -1.02 0.00 0.00 32.46 26.29 1oyj n ARG 54 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1oyj s LYS 55 N -5.93 1.58 0.22 5.56 1.02 -1.26 -5.03 119.74 115.89 1oyj s LYS 55 Ca 0.39 -1.64 0.05 0.00 0.02 0.00 0.00 55.97 54.78 1oyj s LYS 55 Cb -0.19 -1.74 -0.03 0.00 -0.52 0.00 0.00 37.83 35.35 1oyj s LYS 55 CO 0.48 0.35 0.33 0.96 -0.92 0.00 0.00 175.35 176.54 1oyj s ILE 56 N -2.17 5.19 0.50 2.17 -5.25 -1.26 -4.47 121.20 115.90 1oyj s ILE 56 Ca 0.25 -0.96 -0.18 0.00 -0.99 0.00 0.00 60.65 58.77 1oyj s ILE 56 Cb -0.06 -3.78 -0.08 0.00 2.95 0.00 0.00 42.46 41.48 1oyj s ILE 56 CO 0.12 -0.27 0.99 -2.16 -1.79 0.00 0.00 174.94 171.83 1oyj s PRO 57 N -3.78 3.92 -0.08 0.37 0.04 -1.26 -4.84 135.00 129.37 1oyj s PRO 57 Ca 0.34 1.09 0.01 0.00 0.04 0.00 0.00 61.00 62.47 1oyj s PRO 57 Cb -0.09 -2.13 0.02 0.00 0.04 0.00 0.00 34.50 32.34 1oyj s PRO 57 CO 0.28 -0.30 -0.09 0.08 0.04 0.00 0.00 177.00 177.02 1oyj s VAL 58 N -2.40 0.95 -0.19 -0.36 1.01 -0.89 -3.98 120.40 114.54 1oyj s VAL 58 Ca 0.61 -0.32 -0.10 0.00 0.00 0.00 0.00 61.98 62.18 1oyj s VAL 58 Cb -0.11 -0.93 -0.05 0.00 0.00 0.00 0.00 36.38 35.29 1oyj s VAL 58 CO 0.25 0.33 0.13 -0.22 0.00 0.00 0.00 175.10 175.59 1oyj s LEU 59 N 1.11 4.21 -0.25 3.92 2.96 0.03 -0.78 118.68 129.88 1oyj s LEU 59 Ca -0.07 0.25 -0.04 0.00 -0.22 0.00 0.00 54.13 54.05 1oyj s LEU 59 Cb -0.14 -2.08 0.01 0.00 0.50 0.00 0.00 46.19 44.47 1oyj s LEU 59 CO -0.01 0.20 -0.02 -0.76 -1.32 0.00 0.00 176.35 174.44 1oyj s LEU 60 N 0.22 3.26 -0.34 -0.68 1.43 0.82 0.17 118.68 123.57 1oyj s LEU 60 Ca 0.09 -0.67 -0.07 0.00 -1.03 0.00 0.00 54.13 52.45 1oyj s LEU 60 Cb -0.11 -1.74 0.03 0.00 0.03 0.00 0.00 46.19 44.40 1oyj s LEU 60 CO -0.01 -0.11 0.11 -2.28 0.23 0.00 0.00 176.35 174.29 1oyj s HIS 61 N 1.42 3.23 -1.51 0.29 2.46 -0.06 -1.25 115.29 119.87 1oyj s HIS 61 Ca 0.03 -1.27 -0.11 0.00 0.47 0.00 0.00 55.06 54.17 1oyj s HIS 61 Cb -0.16 -2.30 0.08 0.00 -0.13 0.00 0.00 32.58 30.07 1oyj s HIS 61 CO -0.02 -0.69 0.88 0.00 -2.47 0.00 0.00 174.74 172.44 1oyj n ALA 62 N 4.85 -1.44 -0.87 1.58 0.00 0.38 -1.45 120.51 123.56 1oyj n ALA 62 Ca -0.13 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1oyj n ALA 62 Cb 0.45 -3.78 0.00 0.00 0.00 0.00 0.00 19.45 16.13 1oyj n ALA 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1oyj n GLY 63 N -1.66 1.26 3.69 0.00 0.00 -1.26 -5.02 105.19 102.20 1oyj n GLY 63 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 1oyj n GLY 63 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1oyj s ARG 64 N -0.00 4.19 0.23 1.61 0.52 -0.53 -5.02 118.95 119.94 1oyj s ARG 64 Ca 0.00 0.12 -0.23 0.00 -0.52 0.00 0.00 55.73 55.10 1oyj s ARG 64 Cb 0.00 -3.50 -0.09 0.00 0.52 0.00 0.00 34.95 31.88 1oyj s ARG 64 CO 0.00 0.06 0.79 -1.25 0.02 0.00 0.00 175.30 174.92 1oyj s PRO 65 N 1.02 4.41 -0.10 3.54 0.04 -1.26 -0.88 135.00 141.76 1oyj s PRO 65 Ca 0.17 1.05 0.01 0.00 0.04 0.00 0.00 61.00 62.27 1oyj s PRO 65 Cb -0.14 -2.96 0.02 0.00 0.04 0.00 0.00 34.50 31.46 1oyj s PRO 65 CO 0.06 0.41 -0.11 0.08 0.04 0.00 0.00 177.00 177.49 1oyj s VAL 66 N -1.45 1.18 0.37 -0.36 1.01 0.13 -4.98 120.40 116.29 1oyj s VAL 66 Ca 0.43 -0.43 0.09 0.00 0.00 0.00 0.00 61.98 62.06 1oyj s VAL 66 Cb -0.19 -1.13 -0.07 0.00 0.00 0.00 0.00 36.38 34.99 1oyj s VAL 66 CO 0.23 0.38 -0.02 -0.44 0.00 0.00 0.00 175.10 175.25 1oyj s SER 67 N 1.27 3.92 0.02 3.32 0.01 -1.26 -0.79 113.70 120.19 1oyj s SER 67 Ca -0.02 -1.19 0.00 0.00 1.31 0.00 0.00 55.95 56.04 1oyj s SER 67 Cb -0.14 -0.41 0.00 0.00 0.21 0.00 0.00 66.02 65.68 1oyj s SER 67 CO -0.04 -0.31 0.00 -0.62 0.41 0.00 0.00 173.24 172.68 1oyj n GLU 68 N -0.91 -1.29 -0.27 12.44 -0.58 -1.26 -4.38 120.64 124.40 1oyj n GLU 68 Ca -0.05 1.31 0.07 0.00 -0.42 0.00 0.00 57.16 58.07 1oyj n GLU 68 Cb 0.64 -1.38 0.21 0.00 -0.57 0.00 0.00 31.44 30.34 1oyj n GLU 68 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1oyj h SER 69 N 1.04 0.23 0.53 1.62 4.64 -1.87 0.21 113.55 119.95 1oyj h SER 69 Ca 0.00 0.13 -0.11 0.00 -0.47 0.00 0.00 61.79 61.34 1oyj h SER 69 Cb 0.00 0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 62.20 1oyj h SER 69 CO 0.00 0.05 -0.51 -0.07 -0.87 0.00 0.00 176.83 175.43 1oyj h LEU 70 N 0.40 0.00 -0.29 5.97 3.38 -1.94 -1.30 115.31 121.53 1oyj h LEU 70 Ca 0.44 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.34 1oyj h LEU 70 Cb 0.73 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 1oyj h LEU 70 CO -0.45 0.51 -0.12 0.58 0.09 0.00 0.00 178.44 179.05 1oyj h VAL 71 N 0.00 1.29 -0.55 1.22 2.07 -0.97 -2.50 116.25 116.81 1oyj h VAL 71 Ca -0.01 -1.19 0.04 0.00 0.82 0.00 0.00 66.70 66.37 1oyj h VAL 71 Cb 0.92 1.47 -0.05 0.00 -1.52 0.00 0.00 31.29 32.11 1oyj h VAL 71 CO 0.07 0.38 0.29 0.40 0.02 0.00 0.00 177.57 178.73 1oyj h ILE 72 N 0.33 0.97 -0.69 4.57 2.04 -0.60 -0.42 117.51 123.72 1oyj h ILE 72 Ca 0.07 -0.19 0.01 0.00 1.00 0.00 0.00 64.86 65.75 1oyj h ILE 72 Cb 0.62 0.36 -0.04 0.00 -0.74 0.00 0.00 36.82 37.03 1oyj h ILE 72 CO 0.04 0.10 0.45 -0.07 0.00 0.00 0.00 178.15 178.67 1oyj h LEU 73 N 0.56 0.77 -0.86 1.44 3.38 -1.10 -0.92 115.31 118.58 1oyj h LEU 73 Ca 0.24 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 58.07 1oyj h LEU 73 Cb 0.13 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1oyj h LEU 73 CO -0.15 0.55 -0.54 1.56 0.09 0.00 0.00 178.44 179.94 1oyj h GLN 74 N 0.91 0.08 -0.76 1.13 4.20 -1.07 -2.68 115.11 116.92 1oyj h GLN 74 Ca 0.26 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.88 1oyj h GLN 74 Cb -0.07 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.68 1oyj h GLN 74 CO -0.07 0.60 0.29 -0.92 -0.67 0.00 0.00 178.83 178.05 1oyj h TYR 75 N 0.06 1.17 0.00 2.96 3.20 -0.37 -1.26 116.97 122.73 1oyj h TYR 75 Ca -0.00 -0.10 -0.03 0.00 3.14 0.00 0.00 58.73 61.74 1oyj h TYR 75 Cb 0.98 -0.35 -0.00 0.00 1.54 0.00 0.00 36.73 38.90 1oyj h TYR 75 CO 0.01 0.90 -0.13 -0.07 -1.64 0.00 0.00 178.16 177.22 1oyj h LEU 76 N 1.10 0.00 0.29 2.82 3.38 -0.86 0.70 115.31 122.74 1oyj h LEU 76 Ca 0.25 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 1oyj h LEU 76 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1oyj h LEU 76 CO -0.02 0.13 -0.14 0.44 0.09 0.00 0.00 178.44 178.94 1oyj h ASP 77 N 0.00 -0.33 -0.98 -0.43 5.19 -1.24 -3.02 116.42 115.61 1oyj h ASP 77 Ca -0.00 -0.18 0.04 0.00 -0.62 0.00 0.00 57.03 56.26 1oyj h ASP 77 Cb 0.25 0.09 -0.06 0.00 0.18 0.00 0.00 39.33 39.79 1oyj h ASP 77 CO 0.02 0.14 0.64 0.44 -3.12 0.00 0.00 179.24 177.36 1oyj h ASP 78 N -0.96 1.06 1.41 6.45 3.45 -0.95 -2.88 116.42 124.00 1oyj h ASP 78 Ca -0.04 -0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.41 1oyj h ASP 78 Cb 0.49 -0.24 0.00 0.00 -0.56 0.00 0.00 39.33 39.02 1oyj h ASP 78 CO 0.07 0.73 -0.30 0.00 -1.57 0.00 0.00 179.24 178.16 1oyj h ALA 79 N 1.40 0.82 -2.06 3.45 0.00 0.27 -3.38 119.26 119.77 1oyj h ALA 79 Ca 0.39 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.73 1oyj h ALA 79 Cb 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 17.39 1oyj h ALA 79 CO -0.12 0.00 -0.96 1.19 0.00 0.00 0.00 179.25 179.36 1oyj n PHE 80 N -2.54 0.88 0.23 0.00 3.01 -1.10 -4.97 117.46 112.98 1oyj n PHE 80 Ca 0.04 -3.75 0.15 0.00 1.01 0.00 0.00 57.45 54.90 1oyj n PHE 80 Cb 0.48 -0.42 0.82 0.00 -0.01 0.00 0.00 39.48 40.36 1oyj n PHE 80 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1oyj h PRO 81 N 3.97 0.00 0.00 -1.08 0.13 -1.72 -2.28 132.00 131.02 1oyj h PRO 81 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1oyj h PRO 81 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 1oyj h PRO 81 CO 0.58 0.00 -0.62 0.41 -0.23 0.00 0.00 178.00 178.13 1oyj n GLY 82 N -1.41 -1.40 3.81 1.56 0.00 -1.26 -4.88 105.19 101.61 1oyj n GLY 82 Ca -0.00 -0.26 -0.30 0.00 0.00 0.00 0.00 46.02 45.46 1oyj n GLY 82 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1oyj s THR 83 N -3.15 3.32 -0.10 2.61 -4.23 -0.86 -4.93 115.64 108.28 1oyj s THR 83 Ca 0.07 0.43 -0.36 0.00 -1.18 0.00 0.00 61.69 60.64 1oyj s THR 83 Cb 0.14 -3.18 -0.13 0.00 1.34 0.00 0.00 72.50 70.66 1oyj s THR 83 CO 0.72 -0.56 1.77 -2.65 -0.54 0.00 0.00 174.62 173.36 1oyj n PRO 84 N -3.35 1.80 -2.96 3.99 -0.02 -1.26 -4.92 135.00 128.27 1oyj n PRO 84 Ca 0.07 0.66 -0.39 0.00 -2.02 0.00 0.00 63.50 61.82 1oyj n PRO 84 Cb 0.56 -2.43 -0.06 0.00 -0.02 0.00 0.00 33.50 31.54 1oyj n PRO 84 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1oyj s HIS 85 N 3.30 3.86 0.05 6.00 -3.43 -1.26 -4.82 115.29 118.99 1oyj s HIS 85 Ca 0.92 1.64 -0.10 0.00 -0.80 0.00 0.00 55.06 56.72 1oyj s HIS 85 Cb -0.82 -2.78 -0.32 0.00 -1.43 0.00 0.00 32.58 27.23 1oyj s HIS 85 CO 0.54 0.46 1.04 -0.07 -2.00 0.00 0.00 174.74 174.71 1oyj h LEU 86 N 4.08 0.64 -9.00 5.38 3.38 -1.91 -3.45 115.31 114.42 1oyj h LEU 86 Ca -0.47 -0.70 -0.68 0.00 0.09 0.00 0.00 57.88 56.12 1oyj h LEU 86 Cb 1.20 -0.21 -0.21 0.00 0.09 0.00 0.00 40.66 41.53 1oyj h LEU 86 CO 0.66 1.55 -0.77 -0.76 0.09 0.00 0.00 178.44 179.21 1oyj s LEU 87 N -7.36 2.80 0.28 1.67 1.43 -1.26 -1.72 118.68 114.52 1oyj s LEU 87 Ca -0.07 -0.26 -0.29 0.00 -1.03 0.00 0.00 54.13 52.47 1oyj s LEU 87 Cb 0.06 -1.61 -0.10 0.00 0.03 0.00 0.00 46.19 44.57 1oyj s LEU 87 CO 0.91 0.30 1.34 -2.16 0.23 0.00 0.00 176.35 176.97 1oyj s PRO 88 N -1.16 4.34 0.44 1.29 0.04 -1.26 -4.97 135.00 133.71 1oyj s PRO 88 Ca 0.14 2.20 -0.23 0.00 0.04 0.00 0.00 61.00 63.15 1oyj s PRO 88 Cb -0.11 -3.11 -0.08 0.00 0.04 0.00 0.00 34.50 31.24 1oyj s PRO 88 CO 0.04 -0.26 1.10 -2.14 0.04 0.00 0.00 177.00 175.78 1oyj s PRO 89 N -1.05 3.94 0.48 0.56 0.02 -1.26 -4.87 135.00 132.82 1oyj s PRO 89 Ca 0.53 1.63 0.17 0.00 0.02 0.00 0.00 61.00 63.35 1oyj s PRO 89 Cb -0.40 -2.44 1.18 0.00 0.02 0.00 0.00 34.50 32.87 1oyj s PRO 89 CO 0.47 -0.36 2.05 0.00 -0.33 0.00 0.00 177.00 178.82 1oyj h ALA 90 N 2.21 2.10 -0.70 -1.55 0.00 -1.93 -3.44 119.26 115.95 1oyj h ALA 90 Ca -0.49 -0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.11 1oyj h ALA 90 Cb 1.23 -0.03 -0.12 0.00 0.00 0.00 0.00 17.79 18.87 1oyj h ALA 90 CO 0.61 -0.19 -0.27 0.27 0.00 0.00 0.00 179.25 179.67 1oyj n ASN 91 N -4.47 -5.55 -4.18 0.00 6.94 -1.26 -3.30 115.26 103.44 1oyj n ASN 91 Ca 0.05 0.36 -0.32 0.00 -0.02 0.00 0.00 54.58 54.65 1oyj n ASN 91 Cb 0.31 -4.34 -0.08 0.00 -2.36 0.00 0.00 39.78 33.30 1oyj n ASN 91 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 1oyj n SER 92 N -1.17 -0.03 0.00 0.53 7.64 -1.26 -5.22 113.62 114.10 1oyj n SER 92 Ca -0.15 -1.14 0.00 0.00 1.01 0.00 0.00 58.87 58.59 1oyj n SER 92 Cb 0.61 -1.43 0.00 0.00 -1.01 0.00 0.00 64.21 62.38 1oyj n SER 92 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1oyj n ALA 95 N -4.04 0.00 -0.83 -0.43 0.00 -1.21 -5.14 120.51 108.87 1oyj n ALA 95 Ca -0.15 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.20 1oyj n ALA 95 Cb 0.55 0.00 0.25 0.00 0.00 0.00 0.00 19.45 20.25 1oyj n ALA 95 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1oyj n ASP 96 N 0.00 4.34 -0.15 0.00 2.03 -1.26 -4.64 116.55 116.87 1oyj n ASP 96 Ca 0.00 -3.15 -0.05 0.00 0.52 0.00 0.00 54.79 52.11 1oyj n ASP 96 Cb 0.00 -0.74 0.13 0.00 -0.72 0.00 0.00 41.12 39.79 1oyj n ASP 96 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1oyj h ALA 97 N 2.30 1.07 -0.74 -1.67 0.00 -1.89 -1.02 119.26 117.31 1oyj h ALA 97 Ca 0.31 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1oyj h ALA 97 Cb 2.27 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 19.81 1oyj h ALA 97 CO 0.73 0.60 0.43 0.00 0.00 0.00 0.00 179.25 181.01 1oyj h ALA 98 N 1.22 0.94 -0.25 0.00 0.00 -1.91 0.52 119.26 119.77 1oyj h ALA 98 Ca 0.17 -0.09 -0.16 0.00 0.00 0.00 0.00 54.91 54.82 1oyj h ALA 98 Cb 0.42 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1oyj h ALA 98 CO 0.01 0.42 -0.50 -0.92 0.00 0.00 0.00 179.25 178.27 1oyj h TYR 99 N 1.01 0.86 -0.49 0.00 3.20 -1.87 -1.57 116.97 118.11 1oyj h TYR 99 Ca 0.26 -0.29 -0.06 0.00 3.14 0.00 0.00 58.73 61.79 1oyj h TYR 99 Cb -0.01 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.06 1oyj h TYR 99 CO -0.01 1.05 0.06 0.00 -1.64 0.00 0.00 178.16 177.63 1oyj h ALA 100 N 0.89 1.19 -0.56 1.82 0.00 -0.70 0.15 119.26 122.07 1oyj h ALA 100 Ca 0.02 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 1oyj h ALA 100 Cb 1.06 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 1oyj h ALA 100 CO 0.10 0.54 -0.07 0.00 0.00 0.00 0.00 179.25 179.82 1oyj h ARG 101 N 0.74 1.03 -0.48 0.00 3.08 -0.59 -1.36 114.38 116.79 1oyj h ARG 101 Ca 0.16 -0.36 -0.03 0.00 0.07 0.00 0.00 59.98 59.81 1oyj h ARG 101 Cb 0.36 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 1oyj h ARG 101 CO 0.01 1.05 0.18 0.00 -1.07 0.00 0.00 179.97 180.14 1oyj h ALA 102 N 0.94 0.63 -0.98 0.04 0.00 -0.73 -0.29 119.26 118.86 1oyj h ALA 102 Ca 0.15 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.92 1oyj h ALA 102 Cb 0.63 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 1oyj h ALA 102 CO 0.04 0.25 0.65 1.15 0.00 0.00 0.00 179.25 181.34 1oyj h THR 103 N 0.64 1.23 -0.45 0.00 2.02 -0.49 -1.25 112.91 114.61 1oyj h THR 103 Ca 0.16 -0.45 -0.12 0.00 0.77 0.00 0.00 66.41 66.77 1oyj h THR 103 Cb 0.22 -0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 66.42 1oyj h THR 103 CO -0.01 0.24 -0.17 0.00 0.37 0.00 0.00 175.52 175.95 1oyj h ALA 104 N 1.40 0.63 -0.52 6.16 0.00 -0.90 -2.42 119.26 123.60 1oyj h ALA 104 Ca 0.37 -0.37 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 1oyj h ALA 104 Cb -0.12 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1oyj h ALA 104 CO -0.09 0.57 -0.16 0.00 0.00 0.00 0.00 179.25 179.58 1oyj h ARG 105 N 0.75 1.02 -0.26 0.00 3.08 -0.66 -1.61 114.38 116.70 1oyj h ARG 105 Ca 0.11 -0.41 0.06 0.00 0.07 0.00 0.00 59.98 59.81 1oyj h ARG 105 Cb 0.74 -0.05 -0.07 0.00 0.08 0.00 0.00 29.97 30.66 1oyj h ARG 105 CO 0.06 1.09 -0.23 0.35 -1.07 0.00 0.00 179.97 180.17 1oyj h PHE 106 N 0.89 -0.62 -0.15 3.04 3.57 -1.12 -0.74 116.94 121.82 1oyj h PHE 106 Ca 0.13 0.04 -0.15 0.00 3.53 0.00 0.00 57.97 61.52 1oyj h PHE 106 Cb 0.74 0.31 -0.01 0.00 2.79 0.00 0.00 35.95 39.78 1oyj h PHE 106 CO 0.05 -0.31 -0.53 -1.49 -2.23 0.00 0.00 178.31 173.80 1oyj h TRP 107 N -0.23 0.52 -0.71 0.41 4.06 -1.23 -0.07 115.95 118.71 1oyj h TRP 107 Ca 0.14 -0.18 -0.04 0.00 2.06 0.00 0.00 58.89 60.87 1oyj h TRP 107 Cb 0.45 -0.10 -0.03 0.00 -1.00 0.00 0.00 29.16 28.48 1oyj h TRP 107 CO -0.40 0.86 0.29 0.00 -3.56 0.00 0.00 178.44 175.63 1oyj h ALA 108 N 1.10 0.92 -0.59 1.49 0.00 -1.22 -0.03 119.26 120.93 1oyj h ALA 108 Ca 0.01 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 1oyj h ALA 108 Cb 1.04 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 1oyj h ALA 108 CO 0.09 0.53 0.25 0.22 0.00 0.00 0.00 179.25 180.34 1oyj h ASP 109 N 1.00 0.80 -0.34 0.00 3.58 -0.70 -0.74 116.42 120.02 1oyj h ASP 109 Ca 0.24 -0.16 0.03 0.00 0.42 0.00 0.00 57.03 57.56 1oyj h ASP 109 Cb 0.20 -0.21 -0.03 0.00 1.72 0.00 0.00 39.33 41.01 1oyj h ASP 109 CO -0.02 0.74 0.14 0.22 -2.88 0.00 0.00 179.24 177.44 1oyj h TYR 110 N 0.81 0.25 -0.57 0.28 3.20 -0.42 -0.02 116.97 120.51 1oyj h TYR 110 Ca 0.20 0.02 0.08 0.00 3.14 0.00 0.00 58.73 62.16 1oyj h TYR 110 Cb 0.18 -0.06 -0.06 0.00 1.54 0.00 0.00 36.73 38.32 1oyj h TYR 110 CO 0.01 0.12 0.22 0.28 -1.64 0.00 0.00 178.16 177.15 1oyj h VAL 111 N 0.30 0.81 -0.40 1.81 2.07 -0.52 -1.35 116.25 118.97 1oyj h VAL 111 Ca 0.15 -0.14 -0.07 0.00 0.82 0.00 0.00 66.70 67.46 1oyj h VAL 111 Cb 0.10 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 1oyj h VAL 111 CO -0.13 0.07 -0.02 0.44 0.02 0.00 0.00 177.57 177.95 1oyj h ASP 112 N 0.41 0.62 0.82 0.57 3.45 -0.08 -2.15 116.42 120.07 1oyj h ASP 112 Ca 0.28 -0.14 -0.14 0.00 0.43 0.00 0.00 57.03 57.45 1oyj h ASP 112 Cb 0.31 -0.17 -0.02 0.00 -0.56 0.00 0.00 39.33 38.89 1oyj h ASP 112 CO -0.27 0.71 -0.68 0.03 -1.57 0.00 0.00 179.24 177.46 1oyj h ARG 113 N 0.62 0.00 0.00 3.56 3.08 -0.58 -3.42 114.38 117.64 1oyj h ARG 113 Ca 0.12 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.96 1oyj h ARG 113 Cb 0.42 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.43 1oyj h ARG 113 CO 0.02 0.68 -1.78 1.63 -1.07 0.00 0.00 179.97 179.45 1oyj n LYS 114 N -3.60 0.33 0.04 0.04 4.76 -0.55 -4.73 118.16 114.46 1oyj n LYS 114 Ca -0.00 0.09 -0.13 0.00 -2.87 0.00 0.00 58.31 55.40 1oyj n LYS 114 Cb 0.70 -1.22 -0.09 0.00 -1.84 0.00 0.00 35.03 32.58 1oyj n LYS 114 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1oyj h LEU 115 N -0.10 -0.11 0.18 -0.35 4.07 -1.61 -0.70 115.31 116.69 1oyj h LEU 115 Ca -0.31 -0.35 -0.01 0.00 0.08 0.00 0.00 57.88 57.28 1oyj h LEU 115 Cb 1.44 0.03 0.00 0.00 1.08 0.00 0.00 40.66 43.21 1oyj h LEU 115 CO -0.08 0.31 -0.09 0.22 -1.08 0.00 0.00 178.44 177.72 1oyj h TYR 116 N -0.56 -0.23 0.03 1.13 3.20 -1.82 -0.72 116.97 118.00 1oyj h TYR 116 Ca -0.01 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.85 1oyj h TYR 116 Cb 0.45 0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.80 1oyj h TYR 116 CO 0.06 0.05 -0.01 -0.44 -1.64 0.00 0.00 178.16 176.17 1oyj h ASP 117 N -0.49 -0.03 0.58 -2.11 3.45 -1.85 0.34 116.42 116.32 1oyj h ASP 117 Ca -0.03 -0.35 0.00 0.00 0.43 0.00 0.00 57.03 57.08 1oyj h ASP 117 Cb 0.37 0.01 0.00 0.00 -0.56 0.00 0.00 39.33 39.15 1oyj h ASP 117 CO 0.04 0.34 0.00 0.00 -1.57 0.00 0.00 179.24 178.05 1oyj n GLY 119 N -0.36 -0.94 0.36 0.00 0.00 -0.28 -4.17 105.19 99.80 1oyj n GLY 119 Ca 0.01 -0.08 0.04 0.00 0.00 0.00 0.00 46.02 45.99 1oyj n GLY 119 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1oyj h SER 120 N 0.01 0.84 0.10 1.61 0.02 0.97 -1.79 113.55 115.31 1oyj h SER 120 Ca -0.31 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 1oyj h SER 120 Cb 2.03 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 64.39 1oyj h SER 120 CO 0.08 0.55 0.00 0.54 -1.14 0.00 0.00 176.83 176.86 1oyj n ARG 121 N -4.48 0.15 0.09 3.45 1.74 -1.09 -3.17 116.66 113.35 1oyj n ARG 121 Ca 0.12 0.15 0.06 0.00 -0.77 0.00 0.00 57.85 57.42 1oyj n ARG 121 Cb 0.19 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.11 1oyj n ARG 121 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1oyj h LEU 122 N 0.00 0.00 -2.90 0.55 3.38 -1.55 -3.29 115.31 111.50 1oyj h LEU 122 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1oyj h LEU 122 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1oyj h LEU 122 CO 0.00 0.27 0.00 -2.67 0.09 0.00 0.00 178.44 176.13 1oyj n TRP 123 N -2.84 0.40 -2.74 1.13 2.14 -1.19 -4.50 117.44 109.84 1oyj n TRP 123 Ca -0.03 -0.50 0.01 0.00 2.07 0.00 0.00 57.50 59.05 1oyj n TRP 123 Cb 0.68 -0.03 0.04 0.00 -0.81 0.00 0.00 31.31 31.19 1oyj n TRP 123 CO 0.00 0.00 0.00 0.54 2.07 0.00 0.00 177.69 180.30 1oyj n ARG 124 N 0.37 1.26 -3.46 -2.67 1.74 -1.26 -4.71 116.66 107.93 1oyj n ARG 124 Ca 0.10 -3.09 -0.22 0.00 -0.77 0.00 0.00 57.85 53.87 1oyj n ARG 124 Cb 0.40 -1.17 -0.12 0.00 -1.02 0.00 0.00 32.46 30.55 1oyj n ARG 124 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1oyj s LEU 125 N -2.75 0.06 0.85 0.55 1.43 -1.24 -5.01 118.68 112.58 1oyj s LEU 125 Ca 0.29 -0.88 -0.12 0.00 -1.03 0.00 0.00 54.13 52.39 1oyj s LEU 125 Cb 0.34 0.18 0.10 0.00 0.03 0.00 0.00 46.19 46.84 1oyj s LEU 125 CO -0.08 -0.40 1.12 -1.59 0.23 0.00 0.00 176.35 175.63 1oyj s LYS 126 N 2.26 1.64 7.24 1.70 0.00 -1.26 -2.80 119.74 128.52 1oyj s LYS 126 Ca 0.09 0.45 0.00 0.00 0.00 0.00 0.00 55.97 56.51 1oyj s LYS 126 Cb -0.15 -1.88 0.00 0.00 0.00 0.00 0.00 37.83 35.80 1oyj s LYS 126 CO -0.31 -1.89 0.00 0.41 0.00 0.00 0.00 175.35 173.56 1oyj n GLY 127 N -2.21 3.64 0.26 0.59 0.00 -1.26 -3.17 105.19 103.04 1oyj n GLY 127 Ca 0.07 -0.04 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 1oyj n GLY 127 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1oyj h GLU 128 N 0.00 0.90 0.08 1.61 4.22 -1.99 -2.59 114.58 116.81 1oyj h GLU 128 Ca 0.00 -0.27 0.02 0.00 0.08 0.00 0.00 59.36 59.19 1oyj h GLU 128 Cb 0.00 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 1oyj h GLU 128 CO 0.00 0.90 -0.19 -1.35 -2.18 0.00 0.00 179.01 176.20 1oyj h PRO 129 N 0.77 -0.34 -0.44 0.92 0.11 -1.86 0.80 132.00 131.97 1oyj h PRO 129 Ca 0.15 0.02 0.05 0.00 0.11 0.00 0.00 66.00 66.33 1oyj h PRO 129 Cb 0.48 0.08 -0.07 0.00 0.11 0.00 0.00 31.00 31.59 1oyj h PRO 129 CO 0.02 -0.22 -0.43 0.37 -0.21 0.00 0.00 178.00 177.53 1oyj h GLN 130 N -0.35 -0.20 -0.10 1.05 4.15 -1.38 0.68 115.11 118.95 1oyj h GLN 130 Ca 0.03 0.01 0.03 0.00 0.77 0.00 0.00 58.65 59.49 1oyj h GLN 130 Cb 0.38 0.05 -0.00 0.00 0.21 0.00 0.00 27.48 28.11 1oyj h GLN 130 CO -0.12 -0.14 0.10 0.00 -1.93 0.00 0.00 178.83 176.74 1oyj h ALA 131 N -0.22 1.78 -0.07 3.38 0.00 -1.02 -0.60 119.26 122.51 1oyj h ALA 131 Ca 0.07 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1oyj h ALA 131 Cb 0.40 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1oyj h ALA 131 CO -0.52 -0.15 -0.11 0.00 0.00 0.00 0.00 179.25 178.47 1oyj h ALA 132 N 1.90 0.11 -0.93 0.00 0.00 0.13 -2.80 119.26 117.67 1oyj h ALA 132 Ca 0.05 -0.32 0.14 0.00 0.00 0.00 0.00 54.91 54.78 1oyj h ALA 132 Cb 0.24 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 17.92 1oyj h ALA 132 CO -0.00 -0.04 0.54 0.00 0.00 0.00 0.00 179.25 179.75 1oyj h ALA 133 N 0.51 1.42 -0.21 0.00 0.00 0.38 -1.85 119.26 119.50 1oyj h ALA 133 Ca 0.01 0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.03 1oyj h ALA 133 Cb 0.66 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.27 1oyj h ALA 133 CO 0.02 0.05 -0.31 0.78 0.00 0.00 0.00 179.25 179.79 1oyj h GLY 134 N 0.80 -0.36 1.08 0.00 0.00 -1.07 0.39 103.07 103.91 1oyj h GLY 134 Ca 0.49 0.39 -0.00 0.00 0.00 0.00 0.00 47.33 48.20 1oyj h GLY 134 CO -0.32 -0.21 0.55 3.21 0.00 0.00 0.00 176.54 179.77 1oyj h ARG 135 N -0.34 1.22 -0.12 4.80 3.08 -1.16 0.32 114.38 122.19 1oyj h ARG 135 Ca 0.12 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 1oyj h ARG 135 Cb 0.53 -0.26 -0.00 0.00 0.08 0.00 0.00 29.97 30.32 1oyj h ARG 135 CO -0.41 0.85 0.03 0.93 -1.07 0.00 0.00 179.97 180.31 1oyj h GLU 136 N 1.25 0.19 -0.98 0.04 4.39 -0.20 -1.44 114.58 117.82 1oyj h GLU 136 Ca 0.33 -0.04 0.06 0.00 0.34 0.00 0.00 59.36 60.04 1oyj h GLU 136 Cb -0.06 -0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 28.50 1oyj h GLU 136 CO -0.06 0.35 0.63 1.98 -1.16 0.00 0.00 179.01 180.75 1oyj h MET 137 N -0.01 1.12 -0.98 2.33 4.05 0.10 0.20 114.93 121.74 1oyj h MET 137 Ca 0.04 -0.07 0.09 0.00 -0.28 0.00 0.00 59.70 59.47 1oyj h MET 137 Cb 0.25 -0.25 -0.07 0.00 -0.80 0.00 0.00 31.60 30.73 1oyj h MET 137 CO 0.00 0.74 0.62 0.00 0.23 0.00 0.00 176.91 178.50 1oyj h ALA 138 N 1.44 1.40 -0.19 0.39 0.00 -0.20 -1.32 119.26 120.78 1oyj h ALA 138 Ca 0.42 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 55.19 1oyj h ALA 138 Cb 0.15 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1oyj h ALA 138 CO -0.17 0.33 -0.47 1.49 0.00 0.00 0.00 179.25 180.43 1oyj h GLU 139 N 1.07 0.50 -0.22 0.00 4.57 0.46 -0.42 114.58 120.55 1oyj h GLU 139 Ca 0.45 -0.28 -0.01 0.00 -1.18 0.00 0.00 59.36 58.34 1oyj h GLU 139 Cb 0.29 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.89 1oyj h GLU 139 CO -0.21 0.87 0.12 0.82 -1.18 0.00 0.00 179.01 179.42 1oyj h ILE 140 N 0.40 1.12 -0.39 2.32 2.04 -0.72 0.19 117.51 122.47 1oyj h ILE 140 Ca 0.02 -0.32 -0.07 0.00 1.00 0.00 0.00 64.86 65.49 1oyj h ILE 140 Cb 0.98 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 37.97 1oyj h ILE 140 CO 0.09 0.11 -0.06 -0.07 0.00 0.00 0.00 178.15 178.23 1oyj h LEU 141 N 0.24 0.62 -0.89 1.44 3.38 -1.09 0.47 115.31 119.48 1oyj h LEU 141 Ca 0.08 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1oyj h LEU 141 Cb 0.08 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 1oyj h LEU 141 CO -0.01 0.72 0.56 0.03 0.09 0.00 0.00 178.44 179.84 1oyj h ARG 142 N 0.60 1.18 -0.40 1.13 3.08 -0.60 -0.11 114.38 119.26 1oyj h ARG 142 Ca 0.12 -0.09 -0.04 0.00 0.07 0.00 0.00 59.98 60.04 1oyj h ARG 142 Cb 0.46 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 1oyj h ARG 142 CO 0.02 0.81 0.10 1.15 -1.07 0.00 0.00 179.97 180.97 1oyj h THR 143 N 1.21 1.23 -0.74 2.04 2.02 0.14 -1.46 112.91 117.35 1oyj h THR 143 Ca 0.32 -0.79 -0.05 0.00 0.77 0.00 0.00 66.41 66.67 1oyj h THR 143 Cb -0.10 0.98 -0.03 0.00 -1.74 0.00 0.00 68.15 67.26 1oyj h THR 143 CO -0.07 0.27 0.29 -0.07 0.37 0.00 0.00 175.52 176.32 1oyj h LEU 144 N 0.50 1.03 -0.57 2.58 3.38 -0.88 -2.06 115.31 119.30 1oyj h LEU 144 Ca 0.13 -0.18 0.07 0.00 0.09 0.00 0.00 57.88 57.99 1oyj h LEU 144 Cb 0.31 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.73 1oyj h LEU 144 CO 0.00 0.93 0.24 -0.08 0.09 0.00 0.00 178.44 179.62 1oyj h GLU 145 N 1.08 0.43 -0.49 1.13 4.81 -0.71 -0.26 114.58 120.56 1oyj h GLU 145 Ca 0.25 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.37 1oyj h GLU 145 Cb 0.23 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 1oyj h GLU 145 CO -0.02 0.29 -0.02 0.00 -0.73 0.00 0.00 179.01 178.53 1oyj h ALA 146 N 1.36 1.05 -0.48 2.92 0.00 -1.06 -1.52 119.26 121.52 1oyj h ALA 146 Ca 0.28 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 1oyj h ALA 146 Cb 0.28 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1oyj h ALA 146 CO -0.25 0.59 -0.11 1.49 0.00 0.00 0.00 179.25 180.97 1oyj h GLU 147 N 0.77 0.89 -0.57 0.00 4.57 -0.56 -3.06 114.58 116.62 1oyj h GLU 147 Ca 0.15 -0.31 -0.06 0.00 -1.18 0.00 0.00 59.36 57.95 1oyj h GLU 147 Cb 0.49 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.99 1oyj h GLU 147 CO 0.02 0.95 0.11 1.25 -1.18 0.00 0.00 179.01 180.17 1oyj h LEU 148 N 0.80 0.89 0.00 1.64 5.85 -0.93 -3.48 115.31 120.09 1oyj h LEU 148 Ca 0.13 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.60 1oyj h LEU 148 Cb 0.63 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.42 1oyj h LEU 148 CO 0.04 0.91 0.00 0.61 -0.34 0.00 0.00 178.44 179.66 1oyj n GLY 149 N -0.58 2.79 1.01 3.75 0.00 -0.59 -2.23 105.19 109.34 1oyj n GLY 149 Ca 0.03 -0.29 0.10 0.00 0.00 0.00 0.00 46.02 45.85 1oyj n GLY 149 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1oyj n ASP 150 N 4.52 2.95 -4.83 1.61 8.00 -1.26 -4.97 116.55 122.56 1oyj n ASP 150 Ca 0.00 -1.96 -0.30 0.00 0.71 0.00 0.00 54.79 53.23 1oyj n ASP 150 Cb 0.00 -0.32 0.06 0.00 -0.02 0.00 0.00 41.12 40.84 1oyj n ASP 150 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1oyj s ARG 151 N -1.35 2.60 0.07 -1.24 0.52 -0.95 -4.98 118.95 113.61 1oyj s ARG 151 Ca 0.37 0.68 -0.15 0.00 -0.52 0.00 0.00 55.73 56.12 1oyj s ARG 151 Cb 0.20 -1.97 -0.23 0.00 0.52 0.00 0.00 34.95 33.46 1oyj s ARG 151 CO 0.27 -1.27 1.18 1.49 0.02 0.00 0.00 175.30 176.99 1oyj h GLU 152 N -0.83 0.67 -4.40 3.54 4.81 -1.94 -3.47 114.58 112.96 1oyj h GLU 152 Ca -0.45 -0.72 -0.19 0.00 -0.13 0.00 0.00 59.36 57.86 1oyj h GLU 152 Cb 1.24 0.21 -0.17 0.00 0.63 0.00 0.00 28.75 30.66 1oyj h GLU 152 CO 0.60 1.30 -0.70 -0.06 -0.73 0.00 0.00 179.01 179.42 1oyj s PHE 153 N -3.30 0.64 0.36 0.92 0.08 -1.26 -4.88 117.98 110.54 1oyj s PHE 153 Ca -0.10 -0.83 0.11 0.00 0.12 0.00 0.00 56.93 56.23 1oyj s PHE 153 Cb 0.06 -0.40 0.69 0.00 -0.57 0.00 0.00 43.02 42.80 1oyj s PHE 153 CO 0.91 -0.22 1.82 0.74 -0.10 0.00 0.00 175.22 178.37 1oyj h PHE 154 N 3.57 0.07 -2.89 0.36 0.04 -1.92 -3.44 116.94 112.73 1oyj h PHE 154 Ca -0.34 -0.02 -0.58 0.00 2.80 0.00 0.00 57.97 59.83 1oyj h PHE 154 Cb 1.17 -0.02 0.09 0.00 2.20 0.00 0.00 35.95 39.39 1oyj h PHE 154 CO 0.59 0.41 0.59 0.41 -0.60 0.00 0.00 178.31 179.71 1oyj n GLY 155 N -0.48 0.74 0.00 -1.45 0.00 -1.26 -4.64 105.19 98.09 1oyj n GLY 155 Ca -0.02 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.44 1oyj n GLY 155 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1oyj n GLY 156 N 1.75 0.00 0.00 -0.02 0.00 -1.26 -4.65 105.19 101.01 1oyj n GLY 156 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1oyj n GLY 156 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1oyj n GLY 157 N 0.00 -0.61 5.00 -0.02 0.00 -1.26 -5.04 105.19 103.26 1oyj n GLY 157 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.38 1oyj n GLY 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1oyj n GLY 158 N 0.00 -0.03 0.00 -0.02 0.00 -1.26 -4.51 105.19 99.37 1oyj n GLY 158 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1oyj n GLY 158 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1oyj n GLY 159 N 0.00 0.00 0.00 -0.02 0.00 -1.26 -4.84 105.19 99.07 1oyj n GLY 159 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1oyj n GLY 159 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1oyj n GLY 160 N -0.00 1.39 3.67 -0.02 0.00 -1.26 -5.11 105.19 103.86 1oyj n GLY 160 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 1oyj n GLY 160 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1oyj s ARG 161 N -0.29 1.62 0.28 1.61 1.70 -1.26 -5.14 118.95 117.47 1oyj s ARG 161 Ca 0.00 -1.14 -0.30 0.00 -0.47 0.00 0.00 55.73 53.82 1oyj s ARG 161 Cb 0.00 0.52 -0.11 0.00 -0.57 0.00 0.00 34.95 34.79 1oyj s ARG 161 CO 0.00 -0.70 1.61 -0.51 -1.08 0.00 0.00 175.30 174.62 1oyj s LEU 162 N -2.98 4.35 0.00 -1.89 1.43 -1.26 -4.83 118.68 113.51 1oyj s LEU 162 Ca 0.18 2.93 0.00 0.00 -1.03 0.00 0.00 54.13 56.21 1oyj s LEU 162 Cb -0.02 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.57 1oyj s LEU 162 CO 0.07 -0.92 0.00 0.61 0.23 0.00 0.00 176.35 176.35 1oyj n GLY 163 N 2.41 2.73 0.14 -3.19 0.00 -1.26 -4.82 105.19 101.19 1oyj n GLY 163 Ca 0.09 -2.16 -0.08 0.00 0.00 0.00 0.00 46.02 43.88 1oyj n GLY 163 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1oyj h PHE 164 N 0.34 -0.18 -0.34 1.61 3.57 -1.67 -1.18 116.94 119.09 1oyj h PHE 164 Ca 0.00 0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.39 1oyj h PHE 164 Cb 0.00 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 1oyj h PHE 164 CO 0.00 -0.13 -0.33 0.28 -2.23 0.00 0.00 178.31 175.90 1oyj h VAL 165 N -0.04 1.28 -0.57 1.41 2.07 -1.87 -1.77 116.25 116.77 1oyj h VAL 165 Ca 0.11 -1.48 0.04 0.00 0.82 0.00 0.00 66.70 66.19 1oyj h VAL 165 Cb 0.21 1.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.32 1oyj h VAL 165 CO -0.25 0.48 0.33 0.44 0.02 0.00 0.00 177.57 178.59 1oyj h ASP 166 N 0.62 0.52 -0.03 0.57 3.32 -1.70 -1.65 116.42 118.08 1oyj h ASP 166 Ca 0.07 0.01 -0.10 0.00 0.02 0.00 0.00 57.03 57.03 1oyj h ASP 166 Cb 0.86 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.30 1oyj h ASP 166 CO 0.07 0.36 -0.28 0.58 -1.72 0.00 0.00 179.24 178.26 1oyj h VAL 167 N 0.65 1.27 -0.52 -1.35 2.07 -1.15 -0.12 116.25 117.10 1oyj h VAL 167 Ca 0.24 -1.31 -0.07 0.00 0.82 0.00 0.00 66.70 66.38 1oyj h VAL 167 Cb 0.07 1.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 1oyj h VAL 167 CO -0.12 0.41 0.05 0.00 0.02 0.00 0.00 177.57 177.93 1oyj h ALA 168 N 1.30 1.11 0.00 1.67 0.00 -0.80 -3.30 119.26 119.23 1oyj h ALA 168 Ca 0.06 -0.25 -0.33 0.00 0.00 0.00 0.00 54.91 54.39 1oyj h ALA 168 Cb 0.70 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.22 1oyj h ALA 168 CO 0.05 0.58 -2.07 -0.11 0.00 0.00 0.00 179.25 177.70 1oyj n LEU 169 N -4.23 0.41 -0.34 0.00 7.94 -0.67 -4.61 117.00 115.50 1oyj n LEU 169 Ca 0.03 0.20 0.10 0.00 -1.11 0.00 0.00 56.01 55.22 1oyj n LEU 169 Cb 0.28 0.34 0.29 0.00 0.53 0.00 0.00 43.42 44.86 1oyj n LEU 169 CO 0.41 0.44 1.22 1.62 -1.11 0.00 0.00 177.39 179.98 1oyj h VAL 170 N 0.00 0.85 -0.00 1.96 3.04 -1.10 0.43 116.25 121.43 1oyj h VAL 170 Ca -0.42 -0.30 0.00 0.00 -1.01 0.00 0.00 66.70 64.96 1oyj h VAL 170 Cb 2.13 -0.11 -0.00 0.00 -2.01 0.00 0.00 31.29 31.30 1oyj h VAL 170 CO 0.05 0.16 0.00 -0.65 -1.01 0.00 0.00 177.57 176.13 1oyj h PRO 171 N 0.88 0.00 0.00 4.17 0.11 -1.81 0.27 132.00 135.62 1oyj h PRO 171 Ca 0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.62 1oyj h PRO 171 Cb 0.64 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.75 1oyj h PRO 171 CO -0.28 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 178.70 1oyj n PHE 172 N -4.45 0.67 0.29 0.65 3.01 0.14 -1.78 117.46 115.99 1oyj n PHE 172 Ca -0.03 0.25 0.16 0.00 1.01 0.00 0.00 57.45 58.85 1oyj n PHE 172 Cb 0.09 -0.91 0.90 0.00 -0.01 0.00 0.00 39.48 39.55 1oyj n PHE 172 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 1oyj h THR 173 N 0.00 0.37 0.00 4.37 1.35 -0.53 0.93 112.91 119.40 1oyj h THR 173 Ca 0.00 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 1oyj h THR 173 Cb 0.39 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 67.99 1oyj h THR 173 CO 0.00 0.05 0.00 0.00 -0.25 0.00 0.00 175.52 175.32 1oyj n ALA 174 N -2.23 1.87 1.01 6.62 0.00 -0.74 -2.89 120.51 124.16 1oyj n ALA 174 Ca -0.02 0.01 0.11 0.00 0.00 0.00 0.00 53.44 53.53 1oyj n ALA 174 Cb 0.16 -1.38 -0.03 0.00 0.00 0.00 0.00 19.45 18.20 1oyj n ALA 174 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 1oyj n TRP 175 N -1.98 0.00 -0.11 0.00 7.02 0.30 -4.28 117.44 118.40 1oyj n TRP 175 Ca 0.04 0.00 -0.05 0.00 -1.02 0.00 0.00 57.50 56.47 1oyj n TRP 175 Cb 0.27 -0.02 0.03 0.00 -2.42 0.00 0.00 31.31 29.17 1oyj n TRP 175 CO 0.00 0.00 0.00 0.74 -2.02 0.00 0.00 177.69 176.41 1oyj h PHE 176 N 1.07 0.12 -0.82 -5.99 -1.00 -1.38 0.20 116.94 109.14 1oyj h PHE 176 Ca 0.00 0.02 0.19 0.00 2.81 0.00 0.00 57.97 60.99 1oyj h PHE 176 Cb 0.61 0.00 -0.12 0.00 3.61 0.00 0.00 35.95 40.06 1oyj h PHE 176 CO 0.00 0.01 0.29 -0.92 -1.61 0.00 0.00 178.31 176.08 1oyj h TYR 177 N 0.20 0.48 -0.39 -0.55 3.20 -1.80 0.10 116.97 118.21 1oyj h TYR 177 Ca 0.18 0.04 -0.14 0.00 3.14 0.00 0.00 58.73 61.95 1oyj h TYR 177 Cb 0.22 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.40 1oyj h TYR 177 CO -0.20 -0.05 -0.31 0.77 -1.64 0.00 0.00 178.16 176.73 1oyj h SER 178 N 0.35 0.94 -0.78 -2.11 0.02 -1.02 -1.41 113.55 109.55 1oyj h SER 178 Ca 0.49 -0.45 -0.02 0.00 -0.84 0.00 0.00 61.79 60.97 1oyj h SER 178 Cb 0.87 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 63.11 1oyj h SER 178 CO -0.51 1.19 0.42 1.88 -1.14 0.00 0.00 176.83 178.67 1oyj h TYR 179 N 0.71 1.07 -0.30 3.45 0.05 0.63 -0.29 116.97 122.30 1oyj h TYR 179 Ca 0.07 -0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.79 1oyj h TYR 179 Cb 0.90 -0.34 -0.01 0.00 1.01 0.00 0.00 36.73 38.28 1oyj h TYR 179 CO 0.06 0.76 0.06 0.93 -1.05 0.00 0.00 178.16 178.91 1oyj h GLU 180 N 1.08 0.50 -0.35 4.88 5.08 -0.72 0.42 114.58 125.47 1oyj h GLU 180 Ca 0.27 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.48 1oyj h GLU 180 Cb 0.04 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1oyj h GLU 180 CO -0.04 0.59 0.14 0.00 -1.00 0.00 0.00 179.01 178.70 1oyj h ARG 181 N 0.33 0.52 0.07 2.33 3.08 -0.93 -0.67 114.38 119.11 1oyj h ARG 181 Ca 0.09 -0.09 -0.27 0.00 0.07 0.00 0.00 59.98 59.77 1oyj h ARG 181 Cb 0.33 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 1oyj h ARG 181 CO 0.00 0.51 -1.40 0.00 -1.07 0.00 0.00 179.97 178.02 1oyj h GLY 183 N 2.35 0.00 -2.88 0.00 0.00 -0.19 -3.45 103.07 98.89 1oyj h GLY 183 Ca -0.18 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.06 1oyj h GLY 183 CO 0.14 0.00 -0.20 0.61 0.00 0.00 0.00 176.54 177.09 1oyj n GLY 184 N 1.14 0.27 3.53 4.60 0.00 -0.29 -4.47 105.19 109.96 1oyj n GLY 184 Ca 0.03 -0.34 -0.09 0.00 0.00 0.00 0.00 46.02 45.62 1oyj n GLY 184 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1oyj s PHE 185 N -3.09 0.31 -0.13 1.61 -0.12 -0.97 -5.06 117.98 110.53 1oyj s PHE 185 Ca 0.02 -0.67 0.01 0.00 -0.05 0.00 0.00 56.93 56.24 1oyj s PHE 185 Cb -0.01 0.17 -0.00 0.00 -0.63 0.00 0.00 43.02 42.54 1oyj s PHE 185 CO 0.20 -0.93 -0.17 0.45 -0.05 0.00 0.00 175.22 174.71 1oyj s SER 186 N -2.99 3.60 0.08 1.98 0.15 -1.26 -4.31 113.70 110.95 1oyj s SER 186 Ca 0.20 -0.45 -0.20 0.00 0.70 0.00 0.00 55.95 56.20 1oyj s SER 186 Cb 0.00 -1.53 -0.09 0.00 -1.71 0.00 0.00 66.02 62.68 1oyj s SER 186 CO 0.06 0.13 1.55 0.58 1.20 0.00 0.00 173.24 176.76 1oyj h VAL 187 N 5.60 1.23 -1.07 4.45 2.07 -1.94 0.29 116.25 126.88 1oyj h VAL 187 Ca -0.27 -0.75 0.32 0.00 0.82 0.00 0.00 66.70 66.82 1oyj h VAL 187 Cb 1.21 1.31 -0.13 0.00 -1.52 0.00 0.00 31.29 32.16 1oyj h VAL 187 CO 0.54 0.23 0.65 -0.08 0.02 0.00 0.00 177.57 178.93 1oyj h GLU 188 N 0.15 0.31 0.00 1.57 4.57 -1.92 0.12 114.58 119.38 1oyj h GLU 188 Ca 0.06 -0.02 -0.16 0.00 -1.18 0.00 0.00 59.36 58.06 1oyj h GLU 188 Cb 0.32 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 28.81 1oyj h GLU 188 CO 0.00 0.21 -1.48 -0.85 -1.18 0.00 0.00 179.01 175.71 1oyj n GLU 189 N -4.87 0.63 0.06 1.92 -0.00 -0.94 -3.38 120.64 114.05 1oyj n GLU 189 Ca 0.31 0.18 -0.23 0.00 -0.00 0.00 0.00 57.16 57.42 1oyj n GLU 189 Cb 1.02 -1.78 -0.15 0.00 -0.00 0.00 0.00 31.44 30.54 1oyj n GLU 189 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 1oyj h VAL 190 N 0.00 0.96 -1.72 3.84 2.07 0.08 -3.42 116.25 118.06 1oyj h VAL 190 Ca -0.17 -2.49 -0.48 0.00 0.82 0.00 0.00 66.70 64.38 1oyj h VAL 190 Cb 1.56 2.76 -0.33 0.00 -1.52 0.00 0.00 31.29 33.76 1oyj h VAL 190 CO 0.04 0.83 -0.93 0.00 0.02 0.00 0.00 177.57 177.53 1oyj n ALA 191 N -2.88 1.62 0.22 1.67 0.00 0.32 -4.72 120.51 116.74 1oyj n ALA 191 Ca -0.25 -2.82 0.05 0.00 0.00 0.00 0.00 53.44 50.43 1oyj n ALA 191 Cb 1.04 -0.93 0.49 0.00 0.00 0.00 0.00 19.45 20.05 1oyj n ALA 191 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1oyj h PRO 192 N 4.55 0.00 0.00 0.00 0.11 -1.64 -1.72 132.00 133.30 1oyj h PRO 192 Ca 0.09 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.10 1oyj h PRO 192 Cb 0.93 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.03 1oyj h PRO 192 CO 0.38 0.21 -0.49 0.00 -0.21 0.00 0.00 178.00 177.89 1oyj h ARG 193 N 0.00 0.00 -0.22 1.05 3.08 -1.91 -1.09 114.38 115.28 1oyj h ARG 193 Ca -0.00 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.88 1oyj h ARG 193 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.44 1oyj h ARG 193 CO 0.03 0.49 -0.53 1.25 -1.07 0.00 0.00 179.97 180.14 1oyj h LEU 194 N 0.00 0.84 -0.71 3.04 5.85 -1.70 0.47 115.31 123.11 1oyj h LEU 194 Ca -0.00 -0.56 0.02 0.00 0.84 0.00 0.00 57.88 58.17 1oyj h LEU 194 Cb 1.10 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.85 1oyj h LEU 194 CO 0.06 1.25 0.46 0.00 -0.34 0.00 0.00 178.44 179.88 1oyj h ALA 195 N 0.61 0.91 -0.50 1.25 0.00 -0.80 -0.87 119.26 119.85 1oyj h ALA 195 Ca -0.00 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1oyj h ALA 195 Cb 1.14 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1oyj h ALA 195 CO 0.11 0.28 0.12 0.00 0.00 0.00 0.00 179.25 179.76 1oyj h ALA 196 N 1.28 0.67 -0.89 0.00 0.00 -1.01 -2.05 119.26 117.25 1oyj h ALA 196 Ca 0.27 -0.21 0.07 0.00 0.00 0.00 0.00 54.91 55.03 1oyj h ALA 196 Cb -0.06 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 17.48 1oyj h ALA 196 CO -0.08 0.36 0.58 2.35 0.00 0.00 0.00 179.25 182.47 1oyj h TRP 197 N 0.70 1.02 -0.39 0.00 7.01 -0.61 -0.60 115.95 123.08 1oyj h TRP 197 Ca 0.16 0.03 -0.12 0.00 2.11 0.00 0.00 58.89 61.06 1oyj h TRP 197 Cb 0.34 -0.34 -0.01 0.00 -2.10 0.00 0.00 29.16 27.05 1oyj h TRP 197 CO 0.02 0.53 -0.24 0.00 -2.79 0.00 0.00 178.44 175.96 1oyj h ALA 198 N 1.52 0.85 -0.24 2.65 0.00 -0.50 -1.03 119.26 122.50 1oyj h ALA 198 Ca 0.38 -0.38 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 1oyj h ALA 198 Cb 0.21 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1oyj h ALA 198 CO -0.14 0.64 -0.45 0.00 0.00 0.00 0.00 179.25 179.29 1oyj h ARG 199 N 0.68 0.62 -0.38 0.00 3.08 -0.79 0.13 114.38 117.73 1oyj h ARG 199 Ca 0.09 -0.34 -0.11 0.00 0.07 0.00 0.00 59.98 59.68 1oyj h ARG 199 Cb 0.76 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.82 1oyj h ARG 199 CO 0.06 0.95 -0.20 -0.09 -1.07 0.00 0.00 179.97 179.63 1oyj h ARG 200 N 0.50 0.81 0.00 0.04 2.43 -0.99 -2.78 114.38 114.39 1oyj h ARG 200 Ca 0.03 -0.36 -0.06 0.00 -0.81 0.00 0.00 59.98 58.78 1oyj h ARG 200 Cb 0.98 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.50 1oyj h ARG 200 CO 0.09 0.98 -0.30 0.00 -1.51 0.00 0.00 179.97 179.23 1oyj n GLY 202 N -0.60 -0.65 0.48 0.00 0.00 0.00 -1.00 105.19 103.42 1oyj n GLY 202 Ca -0.02 -0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.11 1oyj n GLY 202 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1oyj n ARG 203 N -1.54 1.17 -2.57 1.61 1.74 -0.85 -4.35 116.66 111.88 1oyj n ARG 203 Ca 0.01 -0.96 -0.41 0.00 -0.77 0.00 0.00 57.85 55.71 1oyj n ARG 203 Cb 0.05 -1.48 -0.04 0.00 -1.02 0.00 0.00 32.46 29.97 1oyj n ARG 203 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1oyj s ILE 204 N -2.49 4.00 0.19 0.55 1.01 -0.17 -4.92 121.20 119.37 1oyj s ILE 204 Ca 0.18 1.72 -0.13 0.00 0.00 0.00 0.00 60.65 62.43 1oyj s ILE 204 Cb 0.18 -4.10 0.13 0.00 0.01 0.00 0.00 42.46 38.69 1oyj s ILE 204 CO 0.58 0.30 1.69 0.44 0.00 0.00 0.00 174.94 177.94 1oyj h ASP 205 N 5.15 -0.19 -0.54 3.58 3.45 -1.92 0.25 116.42 126.20 1oyj h ASP 205 Ca -0.44 0.12 0.01 0.00 0.43 0.00 0.00 57.03 57.15 1oyj h ASP 205 Cb 1.21 0.20 -0.03 0.00 -0.56 0.00 0.00 39.33 40.16 1oyj h ASP 205 CO 0.72 -0.06 0.36 0.77 -1.57 0.00 0.00 179.24 179.46 1oyj h SER 206 N 0.13 0.61 0.06 6.45 4.64 -1.92 -0.83 113.55 122.69 1oyj h SER 206 Ca 0.26 -0.02 -0.15 0.00 -0.47 0.00 0.00 61.79 61.41 1oyj h SER 206 Cb 0.39 -0.15 0.02 0.00 -0.31 0.00 0.00 62.40 62.34 1oyj h SER 206 CO -0.42 0.44 -0.63 0.58 -0.87 0.00 0.00 176.83 175.94 1oyj h VAL 207 N 0.72 1.49 -0.45 0.95 2.07 -1.25 -1.63 116.25 118.15 1oyj h VAL 207 Ca 0.20 -2.27 0.09 0.00 0.82 0.00 0.00 66.70 65.54 1oyj h VAL 207 Cb -0.07 2.90 -0.10 0.00 -1.52 0.00 0.00 31.29 32.51 1oyj h VAL 207 CO -0.04 0.64 -0.25 0.58 0.02 0.00 0.00 177.57 178.52 1oyj h VAL 208 N -0.30 0.32 -0.38 2.57 2.07 -1.15 -2.43 116.25 116.95 1oyj h VAL 208 Ca -0.10 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 1oyj h VAL 208 Cb 1.40 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 1oyj h VAL 208 CO 0.12 0.00 0.21 0.50 0.02 0.00 0.00 177.57 178.42 1oyj h LYS 209 N -0.15 0.53 -0.00 1.57 3.64 -1.16 -3.38 116.57 117.61 1oyj h LYS 209 Ca 0.21 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1oyj h LYS 209 Cb 0.48 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1oyj h LYS 209 CO -0.54 0.43 -0.80 0.72 -2.27 0.00 0.00 179.45 176.98 1oyj n HIS 210 N -4.75 0.00 -4.30 1.91 8.25 -0.62 -4.92 115.22 110.79 1oyj n HIS 210 Ca -0.00 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.11 1oyj n HIS 210 Cb 0.08 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.10 1oyj n HIS 210 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1oyj s LEU 211 N -2.78 3.65 0.89 2.41 1.43 -0.93 -4.95 118.68 118.41 1oyj s LEU 211 Ca 0.09 0.14 -0.13 0.00 -1.03 0.00 0.00 54.13 53.20 1oyj s LEU 211 Cb 0.14 -1.91 0.13 0.00 0.03 0.00 0.00 46.19 44.59 1oyj s LEU 211 CO 0.72 0.36 1.20 -2.16 0.23 0.00 0.00 176.35 176.70 1oyj s PRO 212 N -1.08 1.29 0.65 1.29 0.04 -1.26 -4.88 135.00 131.05 1oyj s PRO 212 Ca 0.15 0.02 -0.11 0.00 0.04 0.00 0.00 61.00 61.11 1oyj s PRO 212 Cb -0.11 -1.88 -0.02 0.00 0.04 0.00 0.00 34.50 32.52 1oyj s PRO 212 CO 0.05 -2.04 1.04 -1.54 0.04 0.00 0.00 177.00 174.55 1oyj s SER 213 N -4.49 5.90 0.44 6.66 1.04 -1.26 -4.89 113.70 117.11 1oyj s SER 213 Ca 0.66 1.48 0.10 0.00 0.48 0.00 0.00 55.95 58.67 1oyj s SER 213 Cb -0.10 -2.46 0.98 0.00 0.10 0.00 0.00 66.02 64.53 1oyj s SER 213 CO 0.51 -1.09 2.07 -0.65 0.98 0.00 0.00 173.24 175.07 1oyj h PRO 214 N -0.47 0.40 -0.32 4.02 0.11 -1.94 -1.75 132.00 132.05 1oyj h PRO 214 Ca -0.44 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.59 1oyj h PRO 214 Cb 1.20 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1oyj h PRO 214 CO 0.60 0.26 -0.00 0.93 -0.21 0.00 0.00 178.00 179.58 1oyj h GLU 215 N 0.41 0.57 -0.91 1.05 3.07 -1.91 0.33 114.58 117.19 1oyj h GLU 215 Ca 0.13 -0.18 0.02 0.00 -0.50 0.00 0.00 59.36 58.83 1oyj h GLU 215 Cb 0.03 -0.05 -0.05 0.00 -0.84 0.00 0.00 28.75 27.84 1oyj h GLU 215 CO -0.03 0.70 0.60 0.87 -1.40 0.00 0.00 179.01 179.75 1oyj h LYS 216 N 0.37 1.17 -0.20 2.33 6.56 -1.71 0.26 116.57 125.35 1oyj h LYS 216 Ca 0.09 -0.07 -0.03 0.00 -1.06 0.00 0.00 60.65 59.58 1oyj h LYS 216 Cb 0.45 -0.26 -0.01 0.00 -0.57 0.00 0.00 32.23 31.84 1oyj h LYS 216 CO 0.02 0.77 0.00 0.28 -2.06 0.00 0.00 179.45 178.46 1oyj h VAL 217 N 1.20 1.25 -0.92 0.50 2.07 -1.09 -1.43 116.25 117.84 1oyj h VAL 217 Ca 0.35 -0.86 0.08 0.00 0.82 0.00 0.00 66.70 67.09 1oyj h VAL 217 Cb -0.09 1.43 -0.07 0.00 -1.52 0.00 0.00 31.29 31.05 1oyj h VAL 217 CO -0.09 0.26 0.57 0.22 0.02 0.00 0.00 177.57 178.55 1oyj h TYR 218 N 0.11 1.04 -0.24 1.57 3.20 0.19 0.19 116.97 123.02 1oyj h TYR 218 Ca 0.06 0.03 0.04 0.00 3.14 0.00 0.00 58.73 62.00 1oyj h TYR 218 Cb 0.39 -0.33 -0.04 0.00 1.54 0.00 0.00 36.73 38.28 1oyj h TYR 218 CO 0.03 0.49 -0.02 -0.44 -1.64 0.00 0.00 178.16 176.58 1oyj h ASP 219 N 0.99 -0.15 -0.68 -2.11 3.32 -0.63 -2.55 116.42 114.61 1oyj h ASP 219 Ca 0.42 0.06 -0.03 0.00 0.02 0.00 0.00 57.03 57.50 1oyj h ASP 219 Cb 0.27 0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.90 1oyj h ASP 219 CO -0.21 -0.04 0.33 0.15 -1.72 0.00 0.00 179.24 177.76 1oyj h PHE 220 N 0.04 1.00 -0.24 4.55 3.57 0.01 0.52 116.94 126.39 1oyj h PHE 220 Ca 0.12 -0.04 0.07 0.00 3.53 0.00 0.00 57.97 61.65 1oyj h PHE 220 Cb 0.16 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 38.58 1oyj h PHE 220 CO -0.22 0.73 0.35 0.28 -2.23 0.00 0.00 178.31 177.23 1oyj h VAL 221 N 1.00 0.29 0.65 1.41 2.07 -0.29 0.22 116.25 121.60 1oyj h VAL 221 Ca 0.24 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.73 1oyj h VAL 221 Cb 0.11 0.70 0.01 0.00 -1.52 0.00 0.00 31.29 30.59 1oyj h VAL 221 CO -0.03 0.00 -0.31 1.23 0.02 0.00 0.00 177.57 178.47 1oyj h GLY 222 N 0.00 -0.92 0.16 2.17 0.00 -0.77 -2.60 103.07 101.11 1oyj h GLY 222 Ca 0.12 0.34 0.18 0.00 0.00 0.00 0.00 47.33 47.97 1oyj h GLY 222 CO -0.00 -0.33 0.60 -2.08 0.00 0.00 0.00 176.54 174.72 1oyj h VAL 223 N -1.05 0.72 0.00 4.60 2.07 -0.59 6.11 116.25 128.11 1oyj h VAL 223 Ca -0.09 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.17 1oyj h VAL 223 Cb 0.71 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 1oyj h VAL 223 CO 0.15 0.14 0.00 0.18 0.02 0.00 0.00 177.57 178.06 1oyj n LEU 224 N -4.77 0.00 -3.64 2.57 4.77 -0.51 -2.60 117.00 112.82 1oyj n LEU 224 Ca 0.22 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.82 1oyj n LEU 224 Cb 0.54 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.63 1oyj n LEU 224 CO 0.22 0.00 1.00 0.29 -1.33 0.00 0.00 177.39 177.56 1oyj n LYS 225 N -1.00 4.47 0.03 3.23 5.02 1.98 -4.18 118.16 127.71 1oyj n LYS 225 Ca 0.00 -4.66 0.00 0.00 -2.02 0.00 0.00 58.31 51.63 1oyj n LYS 225 Cb 0.00 -2.43 0.00 0.00 -0.02 0.00 0.00 35.03 32.58 1oyj n LYS 225 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1oyj n LYS 226 N 0.49 0.00 0.00 1.97 5.02 -1.07 -5.02 118.16 119.56 1oyj n LYS 226 Ca 0.35 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.64 1oyj n LYS 226 Cb 0.32 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.33 1oyj n LYS 226 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24