#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yx3 n ALA 2 N 0.00 -0.02 -2.40 -5.12 0.00 -1.26 -4.94 120.51 106.77 1yx3 n ALA 2 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.30 1yx3 n ALA 2 Cb 0.00 -0.01 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 1yx3 n ALA 2 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1yx3 s ASP 3 N -4.02 1.63 -0.09 0.00 2.15 -1.09 -5.02 116.67 110.24 1yx3 s ASP 3 Ca 0.00 -0.88 0.02 0.00 0.43 0.00 0.00 52.55 52.12 1yx3 s ASP 3 Cb 0.00 -0.01 0.01 0.00 -0.30 0.00 0.00 42.92 42.63 1yx3 s ASP 3 CO 0.00 -0.27 -0.16 0.42 -0.17 0.00 0.00 175.17 174.99 1yx3 s THR 4 N -2.71 1.47 -0.13 1.71 -4.23 -1.26 0.05 115.64 110.53 1yx3 s THR 4 Ca 0.10 -0.65 -0.20 0.00 -1.18 0.00 0.00 61.69 59.75 1yx3 s THR 4 Cb -0.01 -1.32 -0.04 0.00 1.34 0.00 0.00 72.50 72.47 1yx3 s THR 4 CO 0.00 0.43 0.59 0.27 -0.54 0.00 0.00 174.62 175.37 1yx3 s ILE 5 N 0.76 5.10 -0.45 2.99 -4.36 0.15 -4.84 121.20 120.54 1yx3 s ILE 5 Ca -0.12 1.16 -0.21 0.00 -0.26 0.00 0.00 60.65 61.23 1yx3 s ILE 5 Cb -0.16 -3.92 0.03 0.00 1.25 0.00 0.00 42.46 39.66 1yx3 s ILE 5 CO 0.02 0.24 0.69 -0.70 0.24 0.00 0.00 174.94 175.42 1yx3 s GLU 6 N 1.08 3.29 -0.48 0.37 2.56 -1.26 -1.13 118.70 123.13 1yx3 s GLU 6 Ca 0.30 -0.37 0.04 0.00 0.00 0.00 0.00 54.97 54.94 1yx3 s GLU 6 Cb -0.16 -3.97 0.12 0.00 2.00 0.00 0.00 34.13 32.12 1yx3 s GLU 6 CO 0.13 -1.08 0.22 0.08 -0.56 0.00 0.00 175.26 174.04 1yx3 s VAL 7 N 2.96 2.44 -1.21 3.70 1.01 0.44 -4.83 120.40 124.90 1yx3 s VAL 7 Ca 0.24 -3.07 -0.05 0.00 0.00 0.00 0.00 61.98 59.10 1yx3 s VAL 7 Cb -0.14 -2.72 0.01 0.00 0.00 0.00 0.00 36.38 33.53 1yx3 s VAL 7 CO 0.19 -0.77 1.04 0.47 0.00 0.00 0.00 175.10 176.03 1yx3 n ASP 8 N 3.37 -4.28 -0.32 3.32 8.00 -1.26 -2.76 116.55 122.62 1yx3 n ASP 8 Ca 0.05 -0.54 0.00 0.00 0.71 0.00 0.00 54.79 55.01 1yx3 n ASP 8 Cb 0.34 -4.80 0.00 0.00 -0.02 0.00 0.00 41.12 36.64 1yx3 n ASP 8 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1yx3 n GLY 9 N -1.56 0.76 3.18 0.44 0.00 -1.26 -5.05 105.19 101.70 1yx3 n GLY 9 Ca -0.12 -0.74 -0.10 0.00 0.00 0.00 0.00 46.02 45.06 1yx3 n GLY 9 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1yx3 s LYS 10 N -4.55 0.28 -0.31 1.61 2.47 -1.11 -5.14 119.74 112.99 1yx3 s LYS 10 Ca 0.00 0.88 -0.14 0.00 -1.56 0.00 0.00 55.97 55.15 1yx3 s LYS 10 Cb 0.00 0.14 -0.03 0.00 -1.46 0.00 0.00 37.83 36.49 1yx3 s LYS 10 CO 0.00 -0.24 0.33 -0.65 0.16 0.00 0.00 175.35 174.95 1yx3 s GLN 11 N 2.28 3.76 -0.30 4.03 -0.21 -1.26 -0.42 119.66 127.53 1yx3 s GLN 11 Ca -0.03 -0.28 -0.09 0.00 0.02 0.00 0.00 55.36 54.99 1yx3 s GLN 11 Cb -0.11 -3.74 -0.01 0.00 1.00 0.00 0.00 33.01 30.15 1yx3 s GLN 11 CO -0.11 -0.39 0.12 -0.06 -2.12 0.00 0.00 175.29 172.73 1yx3 s PHE 12 N 1.97 3.16 -0.14 0.91 0.08 -0.29 -4.93 117.98 118.75 1yx3 s PHE 12 Ca 0.12 -0.64 -0.29 0.00 0.12 0.00 0.00 56.93 56.23 1yx3 s PHE 12 Cb -0.16 -2.32 -0.02 0.00 -0.57 0.00 0.00 43.02 39.96 1yx3 s PHE 12 CO 0.11 -0.47 1.19 0.00 -0.10 0.00 0.00 175.22 175.95 1yx3 s ALA 13 N 1.59 3.60 0.15 5.36 0.00 -1.26 -0.67 121.76 130.52 1yx3 s ALA 13 Ca 0.04 0.45 0.10 0.00 0.00 0.00 0.00 51.96 52.56 1yx3 s ALA 13 Cb -0.17 -3.56 -0.04 0.00 0.00 0.00 0.00 23.12 19.35 1yx3 s ALA 13 CO 0.05 -0.99 -0.24 0.14 0.00 0.00 0.00 175.76 174.72 1yx3 s VAL 14 N 2.96 2.16 0.76 0.00 -7.23 0.11 -0.85 120.40 118.31 1yx3 s VAL 14 Ca 0.53 -1.83 -0.11 0.00 -1.81 0.00 0.00 61.98 58.76 1yx3 s VAL 14 Cb -0.21 -1.95 0.05 0.00 0.56 0.00 0.00 36.38 34.82 1yx3 s VAL 14 CO 0.16 -0.04 1.08 -0.62 -0.31 0.00 0.00 175.10 175.37 1yx3 s ASP 15 N -2.29 4.80 0.51 4.85 2.15 0.14 -2.66 116.67 124.16 1yx3 s ASP 15 Ca 0.15 1.45 0.34 0.00 0.43 0.00 0.00 52.55 54.92 1yx3 s ASP 15 Cb -0.09 -2.24 1.76 0.00 -0.30 0.00 0.00 42.92 42.05 1yx3 s ASP 15 CO 0.07 -1.79 2.04 1.05 -0.17 0.00 0.00 175.17 176.37 1yx3 h GLU 16 N -0.96 0.00 -0.01 4.34 4.11 -1.96 0.25 114.58 120.35 1yx3 h GLU 16 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.97 1yx3 h GLU 16 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1yx3 h GLU 16 CO 0.58 0.00 -0.06 0.39 0.07 0.00 0.00 179.01 179.99 1yx3 n GLU 17 N -2.75 1.52 -0.41 1.06 1.02 -1.26 -4.93 120.64 114.88 1yx3 n GLU 17 Ca -0.01 -0.92 0.00 0.00 -0.02 0.00 0.00 57.16 56.21 1yx3 n GLU 17 Cb 0.11 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.05 1yx3 n GLU 17 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1yx3 n GLY 18 N 1.22 0.75 3.85 0.62 0.00 0.89 -5.07 105.19 107.45 1yx3 n GLY 18 Ca 0.17 -0.45 -0.37 0.00 0.00 0.00 0.00 46.02 45.38 1yx3 n GLY 18 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1yx3 s TYR 19 N -2.00 3.60 0.05 1.61 2.02 -1.25 -4.83 117.35 116.56 1yx3 s TYR 19 Ca 0.00 0.59 -0.31 0.00 -0.37 0.00 0.00 57.07 56.98 1yx3 s TYR 19 Cb 0.00 -2.03 -0.07 0.00 -0.40 0.00 0.00 41.96 39.46 1yx3 s TYR 19 CO 0.00 0.67 1.45 -1.17 -1.57 0.00 0.00 175.55 174.92 1yx3 s LEU 20 N -0.86 4.34 -0.03 -1.29 2.96 -1.25 0.25 118.68 122.79 1yx3 s LEU 20 Ca 0.16 2.26 -0.02 0.00 -0.22 0.00 0.00 54.13 56.30 1yx3 s LEU 20 Cb -0.13 -3.57 -0.27 0.00 0.50 0.00 0.00 46.19 42.72 1yx3 s LEU 20 CO 0.05 -0.73 0.72 -1.28 -1.32 0.00 0.00 176.35 173.79 1yx3 h SER 21 N 7.57 0.37 -2.46 3.68 0.87 -1.31 -3.42 113.55 118.84 1yx3 h SER 21 Ca -0.40 -0.59 -0.73 0.00 -1.23 0.00 0.00 61.79 58.84 1yx3 h SER 21 Cb 1.19 -0.12 -0.19 0.00 -0.44 0.00 0.00 62.40 62.84 1yx3 h SER 21 CO 0.90 1.50 1.04 0.21 -0.53 0.00 0.00 176.83 179.95 1yx3 s ASN 22 N -6.90 6.93 -0.99 6.23 2.47 -1.24 -4.94 114.94 116.50 1yx3 s ASN 22 Ca -0.12 -2.72 -0.19 0.00 0.42 0.00 0.00 52.86 50.25 1yx3 s ASN 22 Cb 0.07 -2.37 0.12 0.00 -1.45 0.00 0.00 41.25 37.61 1yx3 s ASN 22 CO 0.83 -0.80 1.24 -0.76 -3.72 0.00 0.00 177.10 173.89 1yx3 s LEU 23 N 1.61 4.75 0.00 3.21 1.43 -1.26 -4.17 118.68 124.26 1yx3 s LEU 23 Ca 0.37 -2.07 0.00 0.00 -1.03 0.00 0.00 54.13 51.40 1yx3 s LEU 23 Cb -0.04 -2.43 0.00 0.00 0.03 0.00 0.00 46.19 43.74 1yx3 s LEU 23 CO -0.04 -1.10 0.00 -3.20 0.23 0.00 0.00 176.35 172.23 1yx3 n ASN 24 N 6.89 0.00 0.00 2.29 5.15 -1.26 -5.06 115.26 123.27 1yx3 n ASN 24 Ca 0.28 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.26 1yx3 n ASN 24 Cb 0.49 0.16 0.00 0.00 -0.53 0.00 0.00 39.78 39.90 1yx3 n ASN 24 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1yx3 n ASP 25 N -1.75 0.00 -1.26 1.20 2.03 -1.26 -5.11 116.55 110.40 1yx3 n ASP 25 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1yx3 n ASP 25 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1yx3 n ASP 25 CO 0.00 0.00 0.00 1.87 -1.92 0.00 0.00 177.20 177.15 1yx3 n TRP 26 N -0.24 -3.30 -4.21 -0.67 -0.00 -1.26 -5.08 117.44 102.68 1yx3 n TRP 26 Ca 0.00 1.72 -0.12 0.00 -0.00 0.00 0.00 57.50 59.10 1yx3 n TRP 26 Cb 0.00 -2.97 -0.10 0.00 -0.00 0.00 0.00 31.31 28.24 1yx3 n TRP 26 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 177.69 177.83 1yx3 s VAL 27 N -1.99 0.87 0.44 5.87 -7.23 -1.26 -5.04 120.40 112.07 1yx3 s VAL 27 Ca 0.00 -1.99 0.20 0.00 -1.81 0.00 0.00 61.98 58.38 1yx3 s VAL 27 Cb 0.00 -1.79 0.40 0.00 0.56 0.00 0.00 36.38 35.55 1yx3 s VAL 27 CO 0.00 -0.79 1.85 -0.65 -0.31 0.00 0.00 175.10 175.20 1yx3 h PRO 28 N 2.87 0.32 -0.14 4.82 0.11 -1.98 -0.04 132.00 137.96 1yx3 h PRO 28 Ca -0.36 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 65.77 1yx3 h PRO 28 Cb 1.18 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1yx3 h PRO 28 CO 0.64 0.21 0.11 0.78 -0.21 0.00 0.00 178.00 179.54 1yx3 h GLY 29 N 0.33 0.00 0.91 -0.55 0.00 -1.97 -0.46 103.07 101.33 1yx3 h GLY 29 Ca 0.47 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.80 1yx3 h GLY 29 CO -0.16 0.00 -0.11 -2.08 0.00 0.00 0.00 176.54 174.19 1yx3 h VAL 30 N 0.00 0.75 -0.50 4.60 2.07 -1.35 0.70 116.25 122.52 1yx3 h VAL 30 Ca 0.07 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.48 1yx3 h VAL 30 Cb 0.29 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 1yx3 h VAL 30 CO -0.00 0.00 -0.11 0.00 0.02 0.00 0.00 177.57 177.48 1yx3 h ALA 31 N 0.55 0.68 0.80 1.67 0.00 -1.51 -1.90 119.26 119.55 1yx3 h ALA 31 Ca -0.01 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 1yx3 h ALA 31 Cb 0.24 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1yx3 h ALA 31 CO 0.00 0.59 -0.47 0.22 0.00 0.00 0.00 179.25 179.59 1yx3 h ASP 32 N 0.81 -1.17 -0.70 0.00 1.82 -0.88 0.14 116.42 116.44 1yx3 h ASP 32 Ca 0.13 0.06 -0.05 0.00 -0.39 0.00 0.00 57.03 56.78 1yx3 h ASP 32 Cb 0.66 0.34 -0.03 0.00 0.68 0.00 0.00 39.33 40.98 1yx3 h ASP 32 CO 0.05 -0.74 0.24 0.58 -1.61 0.00 0.00 179.24 177.76 1yx3 h VAL 33 N -1.18 1.25 -0.42 2.25 2.07 -0.92 -2.33 116.25 116.97 1yx3 h VAL 33 Ca -0.11 -0.85 -0.12 0.00 0.82 0.00 0.00 66.70 66.44 1yx3 h VAL 33 Cb 0.94 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 1yx3 h VAL 33 CO 0.12 0.34 -0.22 -0.03 0.02 0.00 0.00 177.57 177.80 1yx3 h MET 34 N 1.05 0.84 -0.04 1.57 1.85 -1.22 -2.75 114.93 116.22 1yx3 h MET 34 Ca 0.23 -0.34 -0.10 0.00 -0.61 0.00 0.00 59.70 58.88 1yx3 h MET 34 Cb 0.27 -0.04 -0.01 0.00 0.43 0.00 0.00 31.60 32.25 1yx3 h MET 34 CO -0.01 0.98 -0.42 0.00 -0.40 0.00 0.00 176.91 177.05 1yx3 h ALA 35 N 1.02 1.21 0.00 0.39 0.00 -0.45 -2.70 119.26 118.73 1yx3 h ALA 35 Ca 0.10 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 1yx3 h ALA 35 Cb 0.75 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1yx3 h ALA 35 CO 0.06 0.56 -0.19 0.87 0.00 0.00 0.00 179.25 180.55 1yx3 h LYS 36 N 0.08 0.00 -0.27 0.00 1.57 -1.14 0.21 116.57 117.02 1yx3 h LYS 36 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1yx3 h LYS 36 Cb 0.79 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.09 1yx3 h LYS 36 CO 0.06 0.19 0.17 1.96 -0.57 0.00 0.00 179.45 181.26 1yx3 h GLN 37 N 0.00 0.37 0.00 3.15 1.08 -1.25 -1.87 115.11 116.60 1yx3 h GLN 37 Ca -0.00 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 1yx3 h GLN 37 Cb 0.77 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 28.12 1yx3 h GLN 37 CO 0.02 0.27 0.00 -0.44 -0.95 0.00 0.00 178.83 177.74 1yx3 h ASP 38 N 0.36 0.00 -4.60 1.46 5.19 -1.54 -3.48 116.42 113.80 1yx3 h ASP 38 Ca 0.10 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.51 1yx3 h ASP 38 Cb -0.01 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.50 1yx3 h ASP 38 CO -0.02 0.00 -0.41 -3.20 -3.12 0.00 0.00 179.24 172.49 1yx3 n ASN 39 N -2.42 -6.24 -3.82 6.45 4.05 0.58 -5.08 115.26 108.78 1yx3 n ASN 39 Ca 0.05 0.48 -0.23 0.00 0.45 0.00 0.00 54.58 55.34 1yx3 n ASN 39 Cb 0.44 -4.12 -0.17 0.00 1.23 0.00 0.00 39.78 37.16 1yx3 n ASN 39 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 177.26 173.99 1yx3 s LEU 40 N -1.99 0.85 -0.52 1.20 2.96 -0.21 -4.96 118.68 116.01 1yx3 s LEU 40 Ca 0.15 -0.12 -0.28 0.00 -0.22 0.00 0.00 54.13 53.66 1yx3 s LEU 40 Cb -0.04 -0.49 -0.01 0.00 0.50 0.00 0.00 46.19 46.15 1yx3 s LEU 40 CO 0.55 -0.15 1.66 -1.61 -1.32 0.00 0.00 176.35 175.48 1yx3 s GLU 41 N 1.67 3.08 -0.96 1.98 0.41 -1.26 -4.57 118.70 119.04 1yx3 s GLU 41 Ca 0.01 0.75 -0.23 0.00 -0.41 0.00 0.00 54.97 55.08 1yx3 s GLU 41 Cb -0.13 -4.23 0.05 0.00 -1.78 0.00 0.00 34.13 28.05 1yx3 s GLU 41 CO -0.04 -2.19 1.39 -0.51 -0.49 0.00 0.00 175.26 173.42 1yx3 s LEU 42 N 7.29 3.59 0.00 1.80 1.43 -1.26 -4.92 118.68 126.60 1yx3 s LEU 42 Ca 0.64 -1.33 -0.07 0.00 -1.03 0.00 0.00 54.13 52.34 1yx3 s LEU 42 Cb -0.14 -2.55 0.18 0.00 0.03 0.00 0.00 46.19 43.70 1yx3 s LEU 42 CO 0.26 -1.52 1.12 0.35 0.23 0.00 0.00 176.35 176.78 1yx3 n THR 43 N 6.68 0.00 0.28 5.49 -2.24 -1.26 -4.82 114.28 118.41 1yx3 n THR 43 Ca 0.27 -1.32 0.16 0.00 -2.27 0.00 0.00 64.05 60.89 1yx3 n THR 43 Cb 0.50 -1.15 0.79 0.00 -2.10 0.00 0.00 70.33 68.38 1yx3 n THR 43 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1yx3 h GLU 44 N 0.00 0.00 -0.20 -0.78 5.08 -1.97 -0.06 114.58 116.65 1yx3 h GLU 44 Ca -0.37 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.98 1yx3 h GLU 44 Cb 1.20 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 1yx3 h GLU 44 CO 0.33 0.06 0.07 0.93 -1.00 0.00 0.00 179.01 179.41 1yx3 h GLU 45 N 0.00 0.30 -0.24 2.33 3.07 -1.98 0.12 114.58 118.18 1yx3 h GLU 45 Ca -0.00 -0.06 -0.05 0.00 -0.50 0.00 0.00 59.36 58.75 1yx3 h GLU 45 Cb 0.37 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.22 1yx3 h GLU 45 CO 0.01 0.38 -0.06 0.45 -1.40 0.00 0.00 179.01 178.40 1yx3 h HIS 46 N 0.15 0.52 -0.12 4.33 3.86 -1.59 -2.58 115.15 119.72 1yx3 h HIS 46 Ca 0.06 -0.11 -0.02 0.00 -1.16 0.00 0.00 60.37 59.15 1yx3 h HIS 46 Cb 0.20 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.54 1yx3 h HIS 46 CO -0.00 0.68 -0.01 -1.49 0.86 0.00 0.00 177.93 177.97 1yx3 h TRP 47 N 0.20 0.16 -0.41 2.45 4.06 -1.04 0.34 115.95 121.72 1yx3 h TRP 47 Ca 0.06 -0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.97 1yx3 h TRP 47 Cb 0.52 -0.05 -0.02 0.00 -1.00 0.00 0.00 29.16 28.61 1yx3 h TRP 47 CO 0.05 0.18 0.13 0.22 -3.56 0.00 0.00 178.44 175.46 1yx3 h ASP 48 N 0.16 0.59 -0.31 -3.49 1.82 -0.49 0.23 116.42 114.94 1yx3 h ASP 48 Ca 0.04 -0.20 -0.07 0.00 -0.39 0.00 0.00 57.03 56.40 1yx3 h ASP 48 Cb 0.13 -0.15 -0.01 0.00 0.68 0.00 0.00 39.33 39.98 1yx3 h ASP 48 CO 0.00 0.64 -0.10 0.40 -1.61 0.00 0.00 179.24 178.58 1yx3 h ILE 49 N 0.51 1.28 -0.31 2.25 1.08 -0.96 0.12 117.51 121.49 1yx3 h ILE 49 Ca 0.13 -1.15 0.00 0.00 -0.39 0.00 0.00 64.86 63.45 1yx3 h ILE 49 Cb 0.26 1.39 -0.02 0.00 -3.07 0.00 0.00 36.82 35.39 1yx3 h ILE 49 CO -0.00 0.37 0.20 0.40 -0.69 0.00 0.00 178.15 178.42 1yx3 h ILE 50 N 0.38 1.09 -0.32 -0.67 2.04 -0.84 0.11 117.51 119.29 1yx3 h ILE 50 Ca 0.08 -0.19 -0.00 0.00 1.00 0.00 0.00 64.86 65.75 1yx3 h ILE 50 Cb 0.59 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 1yx3 h ILE 50 CO 0.03 0.09 0.19 -1.13 0.00 0.00 0.00 178.15 177.33 1yx3 h ASN 51 N 0.41 0.40 -0.93 1.72 -1.24 -0.45 -1.23 115.58 114.26 1yx3 h ASN 51 Ca 0.11 -0.07 0.05 0.00 0.71 0.00 0.00 56.30 57.10 1yx3 h ASN 51 Cb -0.03 -0.10 -0.06 0.00 0.73 0.00 0.00 38.32 38.86 1yx3 h ASN 51 CO -0.02 0.35 0.60 0.15 -1.29 0.00 0.00 177.43 177.22 1yx3 h PHE 52 N 0.41 1.11 -0.08 0.67 3.57 -0.40 0.13 116.94 122.36 1yx3 h PHE 52 Ca 0.12 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.52 1yx3 h PHE 52 Cb 0.04 -0.37 -0.01 0.00 2.79 0.00 0.00 35.95 38.40 1yx3 h PHE 52 CO -0.03 0.61 -0.51 -0.07 -2.23 0.00 0.00 178.31 176.08 1yx3 h LEU 53 N 1.13 0.24 -0.35 0.59 3.38 -0.70 0.34 115.31 119.94 1yx3 h LEU 53 Ca 0.38 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 58.18 1yx3 h LEU 53 Cb 0.07 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1yx3 h LEU 53 CO -0.14 0.71 0.01 -0.09 0.09 0.00 0.00 178.44 179.01 1yx3 h ARG 54 N 0.18 0.61 -0.20 1.13 2.43 -0.06 -1.68 114.38 116.80 1yx3 h ARG 54 Ca 0.01 -0.19 -0.08 0.00 -0.81 0.00 0.00 59.98 58.90 1yx3 h ARG 54 Cb 0.96 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.44 1yx3 h ARG 54 CO 0.08 0.73 -0.23 0.93 -1.51 0.00 0.00 179.97 179.96 1yx3 h GLU 55 N 0.43 0.35 -0.06 0.20 5.08 -0.51 0.20 114.58 120.28 1yx3 h GLU 55 Ca 0.10 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1yx3 h GLU 55 Cb 0.44 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 1yx3 h GLU 55 CO 0.02 0.57 0.03 -0.92 -1.00 0.00 0.00 179.01 177.71 1yx3 h TYR 56 N 0.32 0.08 -0.19 4.33 5.03 -0.06 0.79 116.97 127.27 1yx3 h TYR 56 Ca 0.05 -0.00 -0.11 0.00 2.58 0.00 0.00 58.73 61.25 1yx3 h TYR 56 Cb 0.58 -0.02 -0.01 0.00 1.55 0.00 0.00 36.73 38.83 1yx3 h TYR 56 CO 0.01 0.13 -0.35 -0.92 -1.32 0.00 0.00 178.16 175.71 1yx3 h TYR 57 N 0.00 0.47 -0.73 -3.82 3.20 -1.11 0.29 116.97 115.28 1yx3 h TYR 57 Ca 0.02 -0.12 -0.03 0.00 3.14 0.00 0.00 58.73 61.74 1yx3 h TYR 57 Cb 0.07 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.20 1yx3 h TYR 57 CO -0.05 0.71 0.33 1.49 -1.64 0.00 0.00 178.16 179.00 1yx3 h GLU 58 N 0.35 1.06 0.00 1.82 4.81 -0.09 -1.28 114.58 121.24 1yx3 h GLU 58 Ca 0.04 -0.17 -0.40 0.00 -0.13 0.00 0.00 59.36 58.69 1yx3 h GLU 58 Cb 0.78 -0.18 -0.06 0.00 0.63 0.00 0.00 28.75 29.92 1yx3 h GLU 58 CO 0.06 0.85 -2.34 -1.91 -0.73 0.00 0.00 179.01 174.94 1yx3 n GLU 59 N -4.39 0.56 0.20 1.92 2.13 0.23 -4.59 120.64 116.70 1yx3 n GLU 59 Ca 0.06 0.25 0.09 0.00 0.66 0.00 0.00 57.16 58.22 1yx3 n GLU 59 Cb 0.15 -1.45 0.22 0.00 0.27 0.00 0.00 31.44 30.63 1yx3 n GLU 59 CO 0.00 0.00 0.00 1.88 -0.41 0.00 0.00 177.13 178.60 1yx3 h TYR 60 N -0.97 0.00 -1.40 4.31 -1.99 -0.57 -3.47 116.97 112.88 1yx3 h TYR 60 Ca -0.61 0.00 -0.33 0.00 2.00 0.00 0.00 58.73 59.79 1yx3 h TYR 60 Cb 1.53 0.00 -0.09 0.00 2.00 0.00 0.00 36.73 40.18 1yx3 h TYR 60 CO -0.12 0.21 -0.35 1.04 -0.00 0.00 0.00 178.16 178.94 1yx3 n GLN 61 N -3.19 -1.20 -3.81 4.88 1.13 -0.48 -4.98 117.38 109.73 1yx3 n GLN 61 Ca 0.02 0.96 -0.12 0.00 -1.94 0.00 0.00 57.00 55.92 1yx3 n GLN 61 Cb 0.56 -5.24 -0.10 0.00 0.11 0.00 0.00 30.24 25.58 1yx3 n GLN 61 CO 0.00 0.00 0.00 -1.50 -1.44 0.00 0.00 177.06 174.12 1yx3 s ILE 62 N -2.69 0.06 -0.15 5.09 2.07 -1.26 -4.99 121.20 119.33 1yx3 s ILE 62 Ca 0.00 -0.47 -0.13 0.00 -1.41 0.00 0.00 60.65 58.64 1yx3 s ILE 62 Cb 0.00 -0.50 -0.05 0.00 0.13 0.00 0.00 42.46 42.04 1yx3 s ILE 62 CO 0.00 -0.26 0.26 0.00 -1.91 0.00 0.00 174.94 173.03 1yx3 s ALA 63 N -1.09 3.65 0.35 1.50 0.00 -1.26 -4.03 121.76 120.87 1yx3 s ALA 63 Ca -0.12 -0.48 -0.12 0.00 0.00 0.00 0.00 51.96 51.24 1yx3 s ALA 63 Cb -0.06 -2.31 -0.07 0.00 0.00 0.00 0.00 23.12 20.68 1yx3 s ALA 63 CO 0.03 0.20 0.72 -1.25 0.00 0.00 0.00 175.76 175.45 1yx3 s PRO 64 N 0.13 3.87 0.84 0.00 0.04 -1.26 -4.93 135.00 133.69 1yx3 s PRO 64 Ca 0.16 0.51 -0.08 0.00 0.04 0.00 0.00 61.00 61.62 1yx3 s PRO 64 Cb -0.13 -2.45 0.16 0.00 0.04 0.00 0.00 34.50 32.13 1yx3 s PRO 64 CO 0.04 0.09 1.16 0.00 0.04 0.00 0.00 177.00 178.33 1yx3 s ALA 65 N -2.14 2.97 0.25 8.56 0.00 -1.26 -4.77 121.76 125.37 1yx3 s ALA 65 Ca 0.52 -1.47 -0.04 0.00 0.00 0.00 0.00 51.96 50.97 1yx3 s ALA 65 Cb -0.10 -2.39 0.29 0.00 0.00 0.00 0.00 23.12 20.91 1yx3 s ALA 65 CO 0.24 -1.96 1.80 -0.24 0.00 0.00 0.00 175.76 175.61 1yx3 h VAL 66 N -1.09 1.24 0.00 0.00 3.04 -1.99 0.16 116.25 117.62 1yx3 h VAL 66 Ca -0.40 -0.83 0.00 0.00 -1.01 0.00 0.00 66.70 64.46 1yx3 h VAL 66 Cb 1.25 0.51 0.00 0.00 -2.01 0.00 0.00 31.29 31.04 1yx3 h VAL 66 CO 0.39 0.32 0.00 0.54 -1.01 0.00 0.00 177.57 177.81 1yx3 n ARG 67 N -4.27 0.13 -0.10 4.17 1.74 -1.26 -1.81 116.66 115.26 1yx3 n ARG 67 Ca 0.05 0.28 -0.24 0.00 -0.77 0.00 0.00 57.85 57.18 1yx3 n ARG 67 Cb 0.21 -1.72 -0.12 0.00 -1.02 0.00 0.00 32.46 29.82 1yx3 n ARG 67 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1yx3 n VAL 68 N -1.96 1.58 -0.36 1.55 0.31 -0.42 -4.14 118.33 114.89 1yx3 n VAL 68 Ca 0.04 -0.29 0.01 0.00 -0.01 0.00 0.00 64.34 64.09 1yx3 n VAL 68 Cb 0.27 -1.88 0.15 0.00 -0.91 0.00 0.00 33.84 31.47 1yx3 n VAL 68 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1yx3 h LEU 69 N -0.70 1.02 -0.91 7.52 5.85 -0.66 -0.76 115.31 126.67 1yx3 h LEU 69 Ca -0.48 0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.32 1yx3 h LEU 69 Cb 1.58 -0.22 -0.07 0.00 0.37 0.00 0.00 40.66 42.33 1yx3 h LEU 69 CO -0.20 0.67 0.56 0.74 -0.34 0.00 0.00 178.44 179.87 1yx3 h THR 70 N 1.17 1.02 -0.02 1.05 2.02 -1.56 0.15 112.91 116.74 1yx3 h THR 70 Ca 0.41 -0.34 -0.19 0.00 0.77 0.00 0.00 66.41 67.06 1yx3 h THR 70 Cb 0.10 -0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.44 1yx3 h THR 70 CO -0.15 0.18 -0.80 0.11 0.37 0.00 0.00 175.52 175.22 1yx3 h LYS 71 N 1.00 0.25 -0.65 6.66 1.57 -1.48 -2.71 116.57 121.21 1yx3 h LYS 71 Ca 0.41 -0.24 -0.07 0.00 -1.87 0.00 0.00 60.65 58.88 1yx3 h LYS 71 Cb 0.24 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.58 1yx3 h LYS 71 CO -0.20 0.93 0.14 0.00 -0.57 0.00 0.00 179.45 179.75 1yx3 h ALA 72 N 0.99 0.86 -0.41 3.86 0.00 -0.09 -1.78 119.26 122.69 1yx3 h ALA 72 Ca -0.04 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 1yx3 h ALA 72 Cb 1.40 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1yx3 h ALA 72 CO 0.13 0.60 0.15 0.28 0.00 0.00 0.00 179.25 180.41 1yx3 h VAL 73 N 0.98 1.16 0.00 0.00 2.07 -0.71 -1.34 116.25 118.42 1yx3 h VAL 73 Ca 0.20 -0.53 -0.02 0.00 0.82 0.00 0.00 66.70 67.17 1yx3 h VAL 73 Cb 0.40 0.69 -0.00 0.00 -1.52 0.00 0.00 31.29 30.85 1yx3 h VAL 73 CO 0.01 0.20 -0.11 1.23 0.02 0.00 0.00 177.57 178.92 1yx3 h GLY 74 N 0.75 0.00 0.76 2.17 0.00 -1.00 0.25 103.07 106.00 1yx3 h GLY 74 Ca 0.14 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.21 1yx3 h GLY 74 CO -0.01 0.00 -1.24 0.50 0.00 0.00 0.00 176.54 175.79 1yx3 h LYS 75 N 0.00 0.33 0.00 4.80 1.57 -0.78 -3.15 116.57 119.35 1yx3 h LYS 75 Ca -0.00 -0.57 -0.04 0.00 -1.87 0.00 0.00 60.65 58.17 1yx3 h LYS 75 Cb 0.33 0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 1yx3 h LYS 75 CO 0.01 1.27 -0.21 -0.22 -0.57 0.00 0.00 179.45 179.74 1yx3 h LYS 76 N -0.21 0.00 0.05 3.15 3.64 -1.09 -3.40 116.57 118.71 1yx3 h LYS 76 Ca -0.24 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 58.90 1yx3 h LYS 76 Cb 1.82 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.62 1yx3 h LYS 76 CO 0.14 0.97 -1.29 -0.07 -2.27 0.00 0.00 179.45 176.93 1yx3 h LEU 77 N -1.00 0.17 0.00 5.20 -0.00 -0.74 -3.51 115.31 115.43 1yx3 h LEU 77 Ca -0.06 -0.72 0.00 0.00 -0.00 0.00 0.00 57.88 57.10 1yx3 h LEU 77 Cb 1.02 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 41.63 1yx3 h LEU 77 CO -0.03 1.54 0.00 0.61 -0.00 0.00 0.00 178.44 180.55 1yx3 n GLY 78 N 1.62 2.68 0.23 0.83 0.00 -1.12 -4.87 105.19 104.56 1yx3 n GLY 78 Ca -0.28 -1.45 0.05 0.00 0.00 0.00 0.00 46.02 44.35 1yx3 n GLY 78 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1yx3 h LYS 79 N 0.00 0.02 -0.51 1.61 1.79 -1.89 -1.49 116.57 116.10 1yx3 h LYS 79 Ca 0.00 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1yx3 h LYS 79 Cb 0.00 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1yx3 h LYS 79 CO 0.00 0.17 0.00 -0.85 -1.08 0.00 0.00 179.45 177.69 1yx3 n GLU 80 N -4.35 2.26 -0.00 3.15 -0.00 -1.26 -3.30 120.64 117.13 1yx3 n GLU 80 Ca -0.02 -1.95 0.04 0.00 -0.00 0.00 0.00 57.16 55.22 1yx3 n GLU 80 Cb 0.22 -1.43 -0.05 0.00 -0.00 0.00 0.00 31.44 30.18 1yx3 n GLU 80 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1yx3 n LYS 81 N 1.09 2.90 -1.11 3.44 4.01 -0.63 -4.74 118.16 123.12 1yx3 n LYS 81 Ca 0.18 -0.03 -0.16 0.00 -0.51 0.00 0.00 58.31 57.80 1yx3 n LYS 81 Cb 0.47 -0.98 -0.13 0.00 -0.51 0.00 0.00 35.03 33.88 1yx3 n LYS 81 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1yx3 n GLY 82 N 1.51 3.37 3.12 0.72 0.00 -0.80 -4.62 105.19 108.49 1yx3 n GLY 82 Ca 0.00 -1.35 -0.13 0.00 0.00 0.00 0.00 46.02 44.55 1yx3 n GLY 82 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1yx3 s ASN 83 N 1.51 1.05 0.53 1.61 -0.87 -1.26 -4.72 114.94 112.79 1yx3 s ASN 83 Ca 0.62 -0.73 0.22 0.00 -1.57 0.00 0.00 52.86 51.39 1yx3 s ASN 83 Cb 0.32 0.05 1.37 0.00 -0.02 0.00 0.00 41.25 42.97 1yx3 s ASN 83 CO -0.06 -0.29 2.07 0.28 -2.57 0.00 0.00 177.10 176.53 1yx3 h SER 84 N 3.87 0.00 -0.60 -1.22 0.02 -1.94 -1.84 113.55 111.85 1yx3 h SER 84 Ca -0.36 0.00 0.10 0.00 -0.84 0.00 0.00 61.79 60.69 1yx3 h SER 84 Cb 1.19 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 63.65 1yx3 h SER 84 CO 0.50 0.00 0.18 0.11 -1.14 0.00 0.00 176.83 176.48 1yx3 h LYS 85 N 0.00 0.32 -0.15 3.45 1.57 -1.96 0.22 116.57 120.02 1yx3 h LYS 85 Ca 0.13 -0.02 -0.17 0.00 -1.87 0.00 0.00 60.65 58.72 1yx3 h LYS 85 Cb 0.54 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 1yx3 h LYS 85 CO -0.00 0.21 -0.61 -0.92 -0.57 0.00 0.00 179.45 177.56 1yx3 h TYR 86 N 0.33 0.66 0.01 -1.35 3.20 -1.59 -2.19 116.97 116.04 1yx3 h TYR 86 Ca 0.31 -0.25 -0.24 0.00 3.14 0.00 0.00 58.73 61.69 1yx3 h TYR 86 Cb 0.42 -0.12 0.01 0.00 1.54 0.00 0.00 36.73 38.58 1yx3 h TYR 86 CO -0.20 0.99 -0.98 -0.07 -1.64 0.00 0.00 178.16 176.26 1yx3 h LEU 87 N 0.38 0.60 0.00 2.82 -0.00 -1.35 -2.42 115.31 115.34 1yx3 h LEU 87 Ca -0.01 -0.49 0.00 0.00 -0.00 0.00 0.00 57.88 57.39 1yx3 h LEU 87 Cb 1.16 -0.18 0.00 0.00 -0.00 0.00 0.00 40.66 41.64 1yx3 h LEU 87 CO 0.11 1.29 -0.10 -1.22 -0.00 0.00 0.00 178.44 178.52 1yx3 n TYR 88 N -3.76 0.83 0.06 1.13 4.01 0.71 -0.03 117.16 120.12 1yx3 n TYR 88 Ca -0.08 0.24 -0.02 0.00 -0.16 0.00 0.00 57.90 57.89 1yx3 n TYR 88 Cb 0.85 -0.88 -0.07 0.00 -0.31 0.00 0.00 39.34 38.94 1yx3 n TYR 88 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1yx3 h SER 89 N 0.00 0.00 0.05 7.72 4.64 -1.34 -3.30 113.55 121.32 1yx3 h SER 89 Ca 0.00 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.24 1yx3 h SER 89 Cb 0.73 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.82 1yx3 h SER 89 CO 0.00 0.70 -0.38 -0.07 -0.87 0.00 0.00 176.83 176.21 1yx3 h LEU 90 N 0.00 0.17 -7.52 5.97 3.38 -1.28 -3.45 115.31 112.58 1yx3 h LEU 90 Ca -0.10 -0.96 -0.56 0.00 0.09 0.00 0.00 57.88 56.35 1yx3 h LEU 90 Cb 1.62 -0.06 -0.39 0.00 0.09 0.00 0.00 40.66 41.93 1yx3 h LEU 90 CO 0.07 1.18 -0.78 -0.36 0.09 0.00 0.00 178.44 178.64 1yx3 s PHE 91 N -2.31 1.76 0.01 1.13 0.08 0.96 -5.01 117.98 114.61 1yx3 s PHE 91 Ca -0.18 -1.27 0.21 0.00 0.12 0.00 0.00 56.93 55.81 1yx3 s PHE 91 Cb -0.01 -1.33 0.62 0.00 -0.57 0.00 0.00 43.02 41.73 1yx3 s PHE 91 CO 0.74 -0.67 1.70 -1.35 -0.10 0.00 0.00 175.22 175.53 1yx3 h PRO 92 N 8.09 0.00 -2.44 0.24 0.11 -1.81 -3.35 132.00 132.85 1yx3 h PRO 92 Ca -0.19 0.00 -0.65 0.00 0.11 0.00 0.00 66.00 65.27 1yx3 h PRO 92 Cb 1.10 0.00 -0.39 0.00 0.11 0.00 0.00 31.00 31.82 1yx3 h PRO 92 CO 0.38 0.30 -0.30 0.66 -0.21 0.00 0.00 178.00 178.83 1yx3 n TYR 93 N -3.33 3.39 -2.23 0.65 4.01 -1.26 -4.91 117.16 113.49 1yx3 n TYR 93 Ca 0.01 -3.86 -0.02 0.00 -0.16 0.00 0.00 57.90 53.87 1yx3 n TYR 93 Cb 0.53 -0.73 0.00 0.00 -0.31 0.00 0.00 39.34 38.83 1yx3 n TYR 93 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1yx3 n GLY 94 N 1.07 -2.31 0.32 2.72 0.00 -1.26 -4.42 105.19 101.31 1yx3 n GLY 94 Ca 0.28 0.43 0.07 0.00 0.00 0.00 0.00 46.02 46.80 1yx3 n GLY 94 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1yx3 h PRO 95 N 1.42 0.68 -0.47 1.61 0.13 -1.82 -1.24 132.00 132.31 1yx3 h PRO 95 Ca 0.00 -0.04 -0.00 0.00 -0.87 0.00 0.00 66.00 65.09 1yx3 h PRO 95 Cb 0.30 -0.15 -0.02 0.00 0.13 0.00 0.00 31.00 31.25 1yx3 h PRO 95 CO 0.09 0.45 0.28 0.00 -0.23 0.00 0.00 178.00 178.59 1yx3 h ALA 96 N 1.54 0.60 -0.07 -0.56 0.00 -1.93 -1.93 119.26 116.91 1yx3 h ALA 96 Ca 0.46 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 55.22 1yx3 h ALA 96 Cb 0.60 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1yx3 h ALA 96 CO -0.33 0.09 -0.30 0.87 0.00 0.00 0.00 179.25 179.58 1yx3 h LYS 97 N 0.63 0.33 -0.26 0.00 1.57 -1.63 -2.32 116.57 114.89 1yx3 h LYS 97 Ca 0.17 -0.26 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 1yx3 h LYS 97 Cb -0.01 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 1yx3 h LYS 97 CO -0.03 0.90 0.11 1.96 -0.57 0.00 0.00 179.45 181.82 1yx3 h GLN 98 N -0.16 0.38 -0.45 3.15 1.08 -1.26 0.09 115.11 117.93 1yx3 h GLN 98 Ca -0.02 -0.06 -0.06 0.00 -1.45 0.00 0.00 58.65 57.06 1yx3 h GLN 98 Cb 0.95 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 28.29 1yx3 h GLN 98 CO 0.06 0.39 0.06 0.00 -0.95 0.00 0.00 178.83 178.40 1yx3 h ALA 99 N 0.96 0.59 -0.16 3.87 0.00 -1.42 -2.32 119.26 120.80 1yx3 h ALA 99 Ca 0.09 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.63 1yx3 h ALA 99 Cb 0.15 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1yx3 h ALA 99 CO -0.01 0.33 -0.47 0.00 0.00 0.00 0.00 179.25 179.10 1yx3 h ARG 101 N 0.32 0.70 -0.21 0.00 2.43 -0.71 0.38 114.38 117.29 1yx3 h ARG 101 Ca 0.02 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.05 1yx3 h ARG 101 Cb 0.95 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.33 1yx3 h ARG 101 CO 0.08 0.46 -0.27 0.74 -1.51 0.00 0.00 179.97 179.47 1yx3 h PHE 102 N 0.72 0.45 0.00 2.20 0.04 -1.23 -1.91 116.94 117.20 1yx3 h PHE 102 Ca 0.24 -0.10 0.00 0.00 2.80 0.00 0.00 57.97 60.91 1yx3 h PHE 102 Cb 0.01 -0.11 0.00 0.00 2.20 0.00 0.00 35.95 38.05 1yx3 h PHE 102 CO -0.05 0.64 0.00 0.00 -0.60 0.00 0.00 178.31 178.30 1yx3 n ALA 103 N -2.48 2.19 -0.25 2.45 0.00 -0.67 -3.96 120.51 117.78 1yx3 n ALA 103 Ca -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1yx3 n ALA 103 Cb 0.41 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.45 1yx3 n ALA 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yx3 n GLY 104 N 1.03 0.65 3.70 0.00 0.00 -0.23 -4.95 105.19 105.39 1yx3 n GLY 104 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 1yx3 n GLY 104 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1yx3 s LEU 105 N 0.00 4.34 1.10 0.99 1.43 0.12 -3.96 118.68 122.69 1yx3 s LEU 105 Ca 0.00 2.08 -0.14 0.00 -1.03 0.00 0.00 54.13 55.04 1yx3 s LEU 105 Cb 0.00 -3.57 0.24 0.00 0.03 0.00 0.00 46.19 42.89 1yx3 s LEU 105 CO 0.00 -0.61 1.07 -2.16 0.23 0.00 0.00 176.35 174.88 1yx3 s PRO 106 N 1.73 -0.38 -0.22 1.29 0.04 -1.26 -3.99 135.00 132.21 1yx3 s PRO 106 Ca 0.61 0.48 -0.28 0.00 0.04 0.00 0.00 61.00 61.84 1yx3 s PRO 106 Cb -0.31 -1.65 -0.04 0.00 0.04 0.00 0.00 34.50 32.54 1yx3 s PRO 106 CO 0.27 -3.27 2.02 0.21 0.04 0.00 0.00 177.00 176.28 1yx3 s LYS 107 N -4.89 3.35 0.00 4.56 2.20 -1.26 -4.84 119.74 118.85 1yx3 s LYS 107 Ca 0.67 1.88 0.26 0.00 -0.36 0.00 0.00 55.97 58.43 1yx3 s LYS 107 Cb -0.19 -4.27 0.78 0.00 -1.51 0.00 0.00 37.83 32.64 1yx3 s LYS 107 CO 0.59 -1.85 1.60 -0.35 -0.36 0.00 0.00 175.35 174.98 1yx3 n PRO 108 N 8.45 0.16 -0.08 4.03 -0.04 -1.26 -4.17 135.00 142.09 1yx3 n PRO 108 Ca 0.26 -0.08 -0.16 0.00 -0.04 0.00 0.00 63.50 63.48 1yx3 n PRO 108 Cb 0.45 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.29 1yx3 n PRO 108 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1yx3 h THR 109 N 0.19 1.44 -3.05 0.52 2.02 -1.88 -3.48 112.91 108.67 1yx3 h THR 109 Ca 0.00 -2.25 -0.13 0.00 0.77 0.00 0.00 66.41 64.81 1yx3 h THR 109 Cb 0.48 2.89 0.06 0.00 -1.74 0.00 0.00 68.15 69.84 1yx3 h THR 109 CO 0.00 0.49 -0.26 0.61 0.37 0.00 0.00 175.52 176.73 1yx3 n GLY 110 N 1.56 0.27 1.49 2.16 0.00 -1.26 -4.85 105.19 104.56 1yx3 n GLY 110 Ca -0.17 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1yx3 n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32