#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 0.00 -1.07 -5.12 0.00 -0.41 -4.98 120.51 108.93 1yx3 n ALA 2 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 1yx3 n ALA 2 Cb 0.00 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.54 1yx3 n ALA 2 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1yx3 n ASP 3 N 0.00 -1.17 -3.91 0.00 -0.08 -1.26 -4.66 116.55 105.47 1yx3 n ASP 3 Ca 0.00 -0.80 -0.23 0.00 -1.51 0.00 0.00 54.79 52.25 1yx3 n ASP 3 Cb 0.00 -0.35 -0.17 0.00 2.34 0.00 0.00 41.12 42.94 1yx3 n ASP 3 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 1yx3 s THR 4 N -1.75 0.76 0.16 5.18 -4.23 -1.26 -2.09 115.64 112.41 1yx3 s THR 4 Ca 0.25 -0.21 -0.15 0.00 -1.18 0.00 0.00 61.69 60.40 1yx3 s THR 4 Cb -0.02 -0.78 -0.07 0.00 1.34 0.00 0.00 72.50 72.97 1yx3 s THR 4 CO 0.19 0.29 0.58 0.27 -0.54 0.00 0.00 174.62 175.42 1yx3 s ILE 5 N 1.19 4.80 -0.21 2.99 -4.36 -0.29 -4.84 121.20 120.47 1yx3 s ILE 5 Ca -0.06 0.93 -0.02 0.00 -0.26 0.00 0.00 60.65 61.24 1yx3 s ILE 5 Cb -0.14 -3.76 0.00 0.00 1.25 0.00 0.00 42.46 39.81 1yx3 s ILE 5 CO -0.02 0.24 -0.10 -0.70 0.24 0.00 0.00 174.94 174.61 1yx3 s GLU 6 N -1.94 3.19 -0.80 0.37 2.12 -1.26 -0.14 118.70 120.24 1yx3 s GLU 6 Ca 0.39 -0.73 -0.04 0.00 0.36 0.00 0.00 54.97 54.95 1yx3 s GLU 6 Cb -0.15 -2.85 0.20 0.00 0.26 0.00 0.00 34.13 31.58 1yx3 s GLU 6 CO 0.19 -0.22 0.68 0.08 -0.54 0.00 0.00 175.26 175.45 1yx3 s VAL 7 N 1.40 4.33 -0.67 3.70 1.01 0.14 -4.76 120.40 125.54 1yx3 s VAL 7 Ca 0.05 -3.40 -0.06 0.00 0.00 0.00 0.00 61.98 58.57 1yx3 s VAL 7 Cb -0.14 -3.72 0.01 0.00 0.00 0.00 0.00 36.38 32.52 1yx3 s VAL 7 CO -0.07 -1.01 0.66 -0.67 0.00 0.00 0.00 175.10 174.01 1yx3 n ASP 8 N 2.90 -7.20 0.00 3.32 2.03 -1.26 -3.03 116.55 113.31 1yx3 n ASP 8 Ca 0.16 -0.10 0.00 0.00 0.52 0.00 0.00 54.79 55.37 1yx3 n ASP 8 Cb 0.38 -4.50 0.00 0.00 -0.72 0.00 0.00 41.12 36.28 1yx3 n ASP 8 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1yx3 n GLY 9 N -1.36 1.70 3.63 0.27 0.00 -1.26 -4.94 105.19 103.23 1yx3 n GLY 9 Ca -0.04 -0.08 -0.40 0.00 0.00 0.00 0.00 46.02 45.50 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 0.00 4.11 -0.03 1.61 2.20 -1.17 -5.04 119.74 121.42 1yx3 s LYS 10 Ca 0.00 0.50 -0.02 0.00 -0.36 0.00 0.00 55.97 56.09 1yx3 s LYS 10 Cb 0.00 -3.64 -0.04 0.00 -1.51 0.00 0.00 37.83 32.64 1yx3 s LYS 10 CO 0.00 -0.38 0.08 1.14 -0.36 0.00 0.00 175.35 175.84 1yx3 s GLN 11 N 2.38 3.13 -0.01 4.03 -2.07 -1.26 0.23 119.66 126.10 1yx3 s GLN 11 Ca 0.25 -0.42 0.05 0.00 -1.82 0.00 0.00 55.36 53.42 1yx3 s GLN 11 Cb -0.16 -2.91 -0.01 0.00 -1.09 0.00 0.00 33.01 28.84 1yx3 s GLN 11 CO 0.09 0.68 -0.16 -0.06 -1.32 0.00 0.00 175.29 174.52 1yx3 s PHE 12 N -1.13 1.40 -0.09 9.60 0.40 0.81 -4.96 117.98 124.00 1yx3 s PHE 12 Ca 0.21 -0.27 -0.23 0.00 -0.60 0.00 0.00 56.93 56.03 1yx3 s PHE 12 Cb -0.12 -0.90 -0.03 0.00 0.51 0.00 0.00 43.02 42.48 1yx3 s PHE 12 CO 0.11 -0.02 0.70 0.00 0.70 0.00 0.00 175.22 176.72 1yx3 s ALA 13 N -0.40 3.38 0.40 5.36 0.00 -1.26 -1.14 121.76 128.09 1yx3 s ALA 13 Ca 0.06 0.08 0.08 0.00 0.00 0.00 0.00 51.96 52.17 1yx3 s ALA 13 Cb -0.06 -2.98 -0.03 0.00 0.00 0.00 0.00 23.12 20.04 1yx3 s ALA 13 CO -0.00 -0.21 0.28 0.14 0.00 0.00 0.00 175.76 175.97 1yx3 s VAL 14 N 1.05 2.69 0.62 0.00 -7.23 -0.89 -2.48 120.40 114.17 1yx3 s VAL 14 Ca 0.37 -1.50 0.08 0.00 -1.81 0.00 0.00 61.98 59.12 1yx3 s VAL 14 Cb -0.17 -3.01 0.11 0.00 0.56 0.00 0.00 36.38 33.86 1yx3 s VAL 14 CO 0.17 -0.04 0.86 -0.62 -0.31 0.00 0.00 175.10 175.15 1yx3 s ASP 15 N -4.01 4.89 0.43 4.85 -1.08 0.12 -1.28 116.67 120.59 1yx3 s ASP 15 Ca 0.44 -0.83 0.28 0.00 -0.52 0.00 0.00 52.55 51.91 1yx3 s ASP 15 Cb -0.01 0.39 0.91 0.00 -1.46 0.00 0.00 42.92 42.74 1yx3 s ASP 15 CO 0.25 -1.51 1.80 -0.33 0.52 0.00 0.00 175.17 175.90 1yx3 h GLU 16 N -0.00 0.00 0.00 4.34 5.08 -1.94 -1.20 114.58 120.86 1yx3 h GLU 16 Ca -0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 1yx3 h GLU 16 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 1yx3 h GLU 16 CO 0.40 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 178.80 1yx3 n GLU 17 N -2.87 0.30 -1.63 2.33 1.02 -1.26 -4.90 120.64 113.63 1yx3 n GLU 17 Ca 0.03 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 1yx3 n GLU 17 Cb 0.38 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.30 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 1.20 0.67 3.12 0.62 0.00 -0.45 -5.10 105.19 105.25 1yx3 n GLY 18 Ca 0.12 -0.42 -0.09 0.00 0.00 0.00 0.00 46.02 45.63 1yx3 n GLY 18 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1yx3 s TYR 19 N -2.59 0.69 0.04 1.61 1.13 -1.25 -4.92 117.35 112.07 1yx3 s TYR 19 Ca 0.00 -0.91 -0.31 0.00 -1.41 0.00 0.00 57.07 54.44 1yx3 s TYR 19 Cb 0.00 -0.44 -0.07 0.00 -1.10 0.00 0.00 41.96 40.35 1yx3 s TYR 19 CO 0.00 -0.23 1.53 -1.17 -2.51 0.00 0.00 175.55 173.17 1yx3 s LEU 20 N -2.78 4.34 0.02 -3.49 2.96 -1.24 0.13 118.68 118.63 1yx3 s LEU 20 Ca 0.06 2.32 0.22 0.00 -0.22 0.00 0.00 54.13 56.52 1yx3 s LEU 20 Cb 0.04 -3.56 -0.17 0.00 0.50 0.00 0.00 46.19 43.00 1yx3 s LEU 20 CO -0.06 -0.81 0.79 -0.24 -1.32 0.00 0.00 176.35 174.71 1yx3 n SER 21 N 5.41 0.49 -3.93 3.68 2.88 -1.03 -4.17 113.62 116.94 1yx3 n SER 21 Ca 0.14 -0.29 -0.30 0.00 -1.33 0.00 0.00 58.87 57.09 1yx3 n SER 21 Cb 0.42 1.28 -0.16 0.00 -0.75 0.00 0.00 64.21 65.00 1yx3 n SER 21 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 1yx3 s ASN 22 N -4.01 3.78 -1.30 -3.46 0.02 -1.25 -4.87 114.94 103.84 1yx3 s ASN 22 Ca 0.00 -1.14 -0.15 0.00 -1.02 0.00 0.00 52.86 50.55 1yx3 s ASN 22 Cb 0.14 -1.15 0.11 0.00 0.02 0.00 0.00 41.25 40.37 1yx3 s ASN 22 CO 0.86 -0.24 1.77 0.18 0.02 0.00 0.00 177.10 179.69 1yx3 n LEU 23 N 4.69 5.66 -0.71 0.60 4.77 -1.26 -4.56 117.00 126.20 1yx3 n LEU 23 Ca -0.12 -4.23 0.07 0.00 -0.03 0.00 0.00 56.01 51.70 1yx3 n LEU 23 Cb 0.44 -1.65 0.15 0.00 -2.33 0.00 0.00 43.42 40.03 1yx3 n LEU 23 CO 0.18 0.69 0.61 -0.46 -1.33 0.00 0.00 177.39 177.08 1yx3 n ASN 24 N 6.46 2.89 0.00 -1.43 6.94 -1.26 -4.94 115.26 123.92 1yx3 n ASN 24 Ca 0.45 -1.90 0.00 0.00 -0.02 0.00 0.00 54.58 53.10 1yx3 n ASN 24 Cb 0.42 -0.22 0.00 0.00 -2.36 0.00 0.00 39.78 37.62 1yx3 n ASN 24 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 1yx3 n ASP 25 N 0.71 0.00 -2.47 0.53 2.03 -1.26 -5.13 116.55 110.95 1yx3 n ASP 25 Ca 0.12 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.40 1yx3 n ASP 25 Cb 0.43 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.81 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 0.00 -4.69 -4.04 -0.67 -0.00 -1.26 -5.07 117.44 101.71 1yx3 n TRP 26 Ca 0.00 2.76 -0.22 0.00 -0.00 0.00 0.00 57.50 60.04 1yx3 n TRP 26 Cb 0.00 -3.90 -0.05 0.00 -0.00 0.00 0.00 31.31 27.36 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 -0.63 3.64 0.34 5.87 -7.23 -1.26 -5.02 120.40 116.10 1yx3 s VAL 27 Ca -0.15 -1.54 0.10 0.00 -1.81 0.00 0.00 61.98 58.58 1yx3 s VAL 27 Cb 0.01 -3.14 0.33 0.00 0.56 0.00 0.00 36.38 34.14 1yx3 s VAL 27 CO 0.40 -0.25 1.77 -0.65 -0.31 0.00 0.00 175.10 176.06 1yx3 h PRO 28 N 1.48 0.59 -0.40 4.82 0.11 -2.00 0.06 132.00 136.66 1yx3 h PRO 28 Ca -0.45 -0.04 0.06 0.00 0.11 0.00 0.00 66.00 65.68 1yx3 h PRO 28 Cb 1.25 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 1yx3 h PRO 28 CO 0.60 0.39 0.27 0.78 -0.21 0.00 0.00 178.00 179.83 1yx3 h GLY 29 N 0.61 0.37 0.99 -0.55 0.00 -1.98 -2.13 103.07 100.37 1yx3 h GLY 29 Ca 0.60 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.80 1yx3 h GLY 29 CO -0.38 0.10 0.19 -2.08 0.00 0.00 0.00 176.54 174.37 1yx3 h VAL 30 N 0.30 1.10 -0.63 4.60 2.07 -1.36 0.15 116.25 122.48 1yx3 h VAL 30 Ca 0.17 -0.21 -0.09 0.00 0.82 0.00 0.00 66.70 67.40 1yx3 h VAL 30 Cb 0.30 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 1yx3 h VAL 30 CO -0.04 0.09 0.05 0.00 0.02 0.00 0.00 177.57 177.70 1yx3 h ALA 31 N 1.09 0.90 0.05 1.67 0.00 -1.47 -1.95 119.26 119.55 1yx3 h ALA 31 Ca 0.11 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1yx3 h ALA 31 Cb -0.01 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.54 1yx3 h ALA 31 CO -0.02 0.66 -0.02 0.22 0.00 0.00 0.00 179.25 180.09 1yx3 h ASP 32 N 0.98 -0.05 -0.30 0.00 3.58 -1.07 -0.54 116.42 119.03 1yx3 h ASP 32 Ca 0.19 -0.30 0.04 0.00 0.42 0.00 0.00 57.03 57.37 1yx3 h ASP 32 Cb 0.49 0.01 -0.04 0.00 1.72 0.00 0.00 39.33 41.52 1yx3 h ASP 32 CO 0.02 0.28 0.08 0.58 -2.88 0.00 0.00 179.24 177.32 1yx3 h VAL 33 N -0.39 0.89 -0.06 2.25 2.07 -0.95 0.21 116.25 120.27 1yx3 h VAL 33 Ca -0.01 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 67.44 1yx3 h VAL 33 Cb 0.35 0.67 -0.00 0.00 -1.52 0.00 0.00 31.29 30.78 1yx3 h VAL 33 CO 0.01 0.04 0.03 -0.03 0.02 0.00 0.00 177.57 177.64 1yx3 h MET 34 N 0.20 0.07 0.00 1.57 1.85 -1.31 -1.46 114.93 115.85 1yx3 h MET 34 Ca 0.14 -0.01 -0.06 0.00 -0.61 0.00 0.00 59.70 59.16 1yx3 h MET 34 Cb 0.13 -0.02 -0.01 0.00 0.43 0.00 0.00 31.60 32.13 1yx3 h MET 34 CO -0.16 0.08 -0.27 0.00 -0.40 0.00 0.00 176.91 176.16 1yx3 h ALA 35 N 0.99 1.31 0.00 0.39 0.00 -0.85 -2.30 119.26 118.81 1yx3 h ALA 35 Ca 0.02 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.59 1yx3 h ALA 35 Cb 0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1yx3 h ALA 35 CO -0.00 0.34 -0.43 -0.22 0.00 0.00 0.00 179.25 178.94 1yx3 h LYS 36 N 0.00 0.00 -0.61 0.00 3.64 0.00 0.30 116.57 119.90 1yx3 h LYS 36 Ca -0.00 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 1yx3 h LYS 36 Cb 0.57 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.36 1yx3 h LYS 36 CO 0.04 0.43 0.16 1.96 -2.27 0.00 0.00 179.45 179.77 1yx3 h GLN 37 N 0.00 0.97 -0.00 1.90 4.20 -0.69 -1.16 115.11 120.33 1yx3 h GLN 37 Ca -0.00 -0.23 0.00 0.00 0.06 0.00 0.00 58.65 58.48 1yx3 h GLN 37 Cb 1.04 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.69 1yx3 h GLN 37 CO 0.06 0.88 -0.06 -0.25 -0.67 0.00 0.00 178.83 178.78 1yx3 n ASP 38 N -4.36 0.09 -3.30 1.46 9.92 -1.10 -4.95 116.55 114.31 1yx3 n ASP 38 Ca 0.03 0.18 -0.16 0.00 -0.53 0.00 0.00 54.79 54.32 1yx3 n ASP 38 Cb 0.23 -0.34 0.06 0.00 -0.64 0.00 0.00 41.12 40.43 1yx3 n ASP 38 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1yx3 n ASN 39 N -1.40 -6.56 -4.29 -2.24 2.85 0.03 -5.03 115.26 98.61 1yx3 n ASN 39 Ca 0.09 -0.70 -0.33 0.00 -0.11 0.00 0.00 54.58 53.54 1yx3 n ASN 39 Cb 0.31 -4.93 -0.15 0.00 1.24 0.00 0.00 39.78 36.25 1yx3 n ASN 39 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 1yx3 s LEU 40 N -5.42 2.44 0.06 1.20 2.96 0.85 -4.98 118.68 115.79 1yx3 s LEU 40 Ca 0.42 -0.44 -0.30 0.00 -0.22 0.00 0.00 54.13 53.58 1yx3 s LEU 40 Cb -0.07 -1.53 -0.05 0.00 0.50 0.00 0.00 46.19 45.04 1yx3 s LEU 40 CO 0.76 0.15 1.16 -0.70 -1.32 0.00 0.00 176.35 176.40 1yx3 s GLU 41 N 0.44 4.46 -0.53 1.98 2.12 -1.26 -4.41 118.70 121.49 1yx3 s GLU 41 Ca -0.13 1.71 -0.16 0.00 0.36 0.00 0.00 54.97 56.76 1yx3 s GLU 41 Cb -0.17 -3.36 0.12 0.00 0.26 0.00 0.00 34.13 30.99 1yx3 s GLU 41 CO 0.06 -0.21 0.50 -0.51 -0.54 0.00 0.00 175.26 174.55 1yx3 s LEU 42 N 0.98 6.11 0.78 2.70 1.43 -1.26 -4.97 118.68 124.45 1yx3 s LEU 42 Ca 0.57 -1.74 -0.05 0.00 -1.03 0.00 0.00 54.13 51.88 1yx3 s LEU 42 Cb -0.28 -2.21 0.14 0.00 0.03 0.00 0.00 46.19 43.87 1yx3 s LEU 42 CO 0.29 -0.85 1.08 -0.89 0.23 0.00 0.00 176.35 176.22 1yx3 s THR 43 N 1.63 2.12 0.41 5.49 2.01 -1.26 -4.80 115.64 121.23 1yx3 s THR 43 Ca 0.03 -0.41 0.09 0.00 0.31 0.00 0.00 61.69 61.72 1yx3 s THR 43 Cb -0.29 -2.71 0.30 0.00 0.01 0.00 0.00 72.50 69.81 1yx3 s THR 43 CO 0.03 0.00 2.00 1.05 -0.69 0.00 0.00 174.62 177.01 1yx3 h GLU 44 N -0.83 0.54 0.00 4.92 4.11 -1.99 -0.01 114.58 121.32 1yx3 h GLU 44 Ca -0.39 -0.03 -0.18 0.00 0.07 0.00 0.00 59.36 58.83 1yx3 h GLU 44 Cb 1.26 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.37 1yx3 h GLU 44 CO 0.41 0.36 -0.84 0.93 0.07 0.00 0.00 179.01 179.94 1yx3 h GLU 45 N 0.56 0.06 -0.05 1.06 5.08 -1.99 -2.03 114.58 117.27 1yx3 h GLU 45 Ca 0.25 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1yx3 h GLU 45 Cb 0.28 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 1yx3 h GLU 45 CO -0.07 0.86 0.02 0.45 -1.00 0.00 0.00 179.01 179.27 1yx3 h HIS 46 N 0.03 0.08 -0.93 4.33 3.86 -1.41 -1.94 115.15 119.18 1yx3 h HIS 46 Ca -0.02 -0.01 0.06 0.00 -1.16 0.00 0.00 60.37 59.25 1yx3 h HIS 46 Cb 1.46 -0.02 -0.06 0.00 1.06 0.00 0.00 27.41 29.85 1yx3 h HIS 46 CO 0.01 0.23 0.59 -1.49 0.86 0.00 0.00 177.93 178.12 1yx3 h TRP 47 N -0.09 1.09 -0.53 2.45 4.06 -1.18 -1.88 115.95 119.87 1yx3 h TRP 47 Ca 0.02 0.03 -0.08 0.00 2.06 0.00 0.00 58.89 60.92 1yx3 h TRP 47 Cb 0.18 -0.36 -0.02 0.00 -1.00 0.00 0.00 29.16 27.97 1yx3 h TRP 47 CO -0.01 0.56 0.04 0.22 -3.56 0.00 0.00 178.44 175.68 1yx3 h ASP 48 N 1.07 0.88 -0.07 -3.49 3.58 -1.17 0.28 116.42 117.50 1yx3 h ASP 48 Ca 0.40 -0.29 -0.00 0.00 0.42 0.00 0.00 57.03 57.56 1yx3 h ASP 48 Cb 0.17 -0.24 -0.00 0.00 1.72 0.00 0.00 39.33 40.98 1yx3 h ASP 48 CO -0.17 0.95 0.03 0.40 -2.88 0.00 0.00 179.24 177.57 1yx3 h ILE 49 N 0.78 1.13 -0.44 2.25 1.08 -0.99 0.31 117.51 121.62 1yx3 h ILE 49 Ca 0.15 -0.38 0.01 0.00 -0.39 0.00 0.00 64.86 64.26 1yx3 h ILE 49 Cb 0.48 1.25 -0.02 0.00 -3.07 0.00 0.00 36.82 35.45 1yx3 h ILE 49 CO 0.02 0.11 0.29 0.40 -0.69 0.00 0.00 178.15 178.28 1yx3 h ILE 50 N -0.03 1.10 -0.14 -0.67 2.04 -1.18 -1.34 117.51 117.29 1yx3 h ILE 50 Ca 0.02 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.68 1yx3 h ILE 50 Cb 0.15 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 1yx3 h ILE 50 CO -0.00 0.11 0.09 -1.13 0.00 0.00 0.00 178.15 177.22 1yx3 h ASN 51 N 0.59 0.16 -0.82 1.72 -1.24 -0.26 -2.61 115.58 113.12 1yx3 h ASN 51 Ca 0.17 -0.02 0.03 0.00 0.71 0.00 0.00 56.30 57.18 1yx3 h ASN 51 Cb -0.05 -0.04 -0.04 0.00 0.73 0.00 0.00 38.32 38.91 1yx3 h ASN 51 CO -0.05 0.13 0.54 0.15 -1.29 0.00 0.00 177.43 176.92 1yx3 h PHE 52 N 0.18 0.99 -0.45 0.67 3.57 -0.10 -1.15 116.94 120.66 1yx3 h PHE 52 Ca 0.05 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 1yx3 h PHE 52 Cb -0.01 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 38.38 1yx3 h PHE 52 CO -0.06 0.59 0.22 -0.07 -2.23 0.00 0.00 178.31 176.76 1yx3 h LEU 53 N 1.04 0.58 -1.06 0.59 3.38 -0.94 0.20 115.31 119.10 1yx3 h LEU 53 Ca 0.32 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 58.14 1yx3 h LEU 53 Cb -0.02 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 1yx3 h LEU 53 CO -0.09 0.54 -0.13 0.08 0.09 0.00 0.00 178.44 178.94 1yx3 h ARG 54 N 0.58 0.00 0.07 1.13 0.11 -1.05 -1.05 114.38 114.17 1yx3 h ARG 54 Ca 0.15 0.00 -0.27 0.00 0.10 0.00 0.00 59.98 59.96 1yx3 h ARG 54 Cb 0.11 0.00 0.02 0.00 1.11 0.00 0.00 29.97 31.21 1yx3 h ARG 54 CO -0.02 0.13 -1.13 0.93 0.10 0.00 0.00 179.97 179.97 1yx3 h GLU 55 N 0.00 0.58 -0.60 0.08 5.08 -0.59 0.17 114.58 119.30 1yx3 h GLU 55 Ca -0.00 -0.71 -0.09 0.00 -1.00 0.00 0.00 59.36 57.56 1yx3 h GLU 55 Cb 0.72 0.22 -0.02 0.00 0.50 0.00 0.00 28.75 30.17 1yx3 h GLU 55 CO 0.02 1.30 0.01 -0.92 -1.00 0.00 0.00 179.01 178.41 1yx3 h TYR 56 N 0.28 1.15 -0.24 4.33 3.20 -0.38 -1.03 116.97 124.29 1yx3 h TYR 56 Ca -0.15 -0.20 -0.15 0.00 3.14 0.00 0.00 58.73 61.38 1yx3 h TYR 56 Cb 1.80 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 39.76 1yx3 h TYR 56 CO 0.10 1.02 -0.46 -0.92 -1.64 0.00 0.00 178.16 176.25 1yx3 h TYR 57 N 0.96 0.75 -0.62 -3.82 3.20 -1.22 0.90 116.97 117.11 1yx3 h TYR 57 Ca 0.17 -0.24 0.01 0.00 3.14 0.00 0.00 58.73 61.82 1yx3 h TYR 57 Cb 0.55 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.64 1yx3 h TYR 57 CO 0.04 0.96 0.41 1.49 -1.64 0.00 0.00 178.16 179.42 1yx3 h GLU 58 N 0.49 0.79 0.00 1.82 4.57 -0.21 0.27 114.58 122.31 1yx3 h GLU 58 Ca 0.03 -0.05 -0.10 0.00 -1.18 0.00 0.00 59.36 58.07 1yx3 h GLU 58 Cb 0.99 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 29.39 1yx3 h GLU 58 CO 0.09 0.52 -0.79 1.49 -1.18 0.00 0.00 179.01 179.15 1yx3 h GLU 59 N 0.82 0.00 0.00 1.92 4.57 -1.06 -3.41 114.58 117.41 1yx3 h GLU 59 Ca 0.23 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.41 1yx3 h GLU 59 Cb -0.06 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.53 1yx3 h GLU 59 CO -0.05 0.43 -1.21 0.66 -1.18 0.00 0.00 179.01 177.67 1yx3 n TYR 60 N -4.55 0.00 -1.86 0.92 4.01 0.30 -4.94 117.16 111.03 1yx3 n TYR 60 Ca -0.17 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.38 1yx3 n TYR 60 Cb 0.43 -0.10 -0.05 0.00 -0.31 0.00 0.00 39.34 39.30 1yx3 n TYR 60 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1yx3 n GLN 61 N -1.66 -1.40 -4.89 -0.72 3.00 0.94 -4.99 117.38 107.67 1yx3 n GLN 61 Ca 0.02 1.07 -0.33 0.00 -0.01 0.00 0.00 57.00 57.76 1yx3 n GLN 61 Cb 0.38 -5.48 -0.14 0.00 0.00 0.00 0.00 30.24 25.00 1yx3 n GLN 61 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 1yx3 s ILE 62 N -2.80 2.94 -0.40 5.09 1.01 -1.26 -4.95 121.20 120.83 1yx3 s ILE 62 Ca 0.00 -0.74 -0.12 0.00 0.00 0.00 0.00 60.65 59.79 1yx3 s ILE 62 Cb 0.00 -2.18 0.04 0.00 0.01 0.00 0.00 42.46 40.33 1yx3 s ILE 62 CO 0.00 0.56 0.26 0.00 0.00 0.00 0.00 174.94 175.76 1yx3 s ALA 63 N -0.18 3.36 0.09 9.38 0.00 -1.26 -3.46 121.76 129.69 1yx3 s ALA 63 Ca -0.01 -1.84 -0.31 0.00 0.00 0.00 0.00 51.96 49.81 1yx3 s ALA 63 Cb -0.13 -2.73 -0.08 0.00 0.00 0.00 0.00 23.12 20.18 1yx3 s ALA 63 CO 0.03 -1.49 1.46 -1.25 0.00 0.00 0.00 175.76 174.51 1yx3 s PRO 64 N 1.57 4.28 1.21 0.00 0.04 -1.26 -4.98 135.00 135.85 1yx3 s PRO 64 Ca 0.03 2.14 -0.20 0.00 0.04 0.00 0.00 61.00 63.01 1yx3 s PRO 64 Cb -0.20 -3.35 0.29 0.00 0.04 0.00 0.00 34.50 31.28 1yx3 s PRO 64 CO 0.07 -0.54 1.12 0.00 0.04 0.00 0.00 177.00 177.69 1yx3 s ALA 65 N 1.61 0.67 0.12 8.56 0.00 -1.26 -4.51 121.76 126.96 1yx3 s ALA 65 Ca 0.67 -1.02 -0.23 0.00 0.00 0.00 0.00 51.96 51.38 1yx3 s ALA 65 Cb -0.37 -2.86 -0.04 0.00 0.00 0.00 0.00 23.12 19.85 1yx3 s ALA 65 CO 0.30 -3.59 1.67 0.28 0.00 0.00 0.00 175.76 174.42 1yx3 h VAL 66 N -2.59 0.61 0.00 0.00 2.07 -1.95 0.39 116.25 114.78 1yx3 h VAL 66 Ca -0.44 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 66.99 1yx3 h VAL 66 Cb 1.29 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 1yx3 h VAL 66 CO 0.32 0.00 -0.46 -0.09 0.02 0.00 0.00 177.57 177.36 1yx3 h ARG 67 N -0.21 0.00 -0.06 1.57 9.65 -2.01 -2.87 114.38 120.45 1yx3 h ARG 67 Ca 0.07 0.00 -0.24 0.00 -1.10 0.00 0.00 59.98 58.72 1yx3 h ARG 67 Cb 0.32 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 28.91 1yx3 h ARG 67 CO -0.20 0.46 -0.91 0.28 2.80 0.00 0.00 179.97 182.40 1yx3 h VAL 68 N 0.00 1.31 -0.05 0.20 2.07 -1.69 -3.19 116.25 114.90 1yx3 h VAL 68 Ca -0.00 -2.19 -0.04 0.00 0.82 0.00 0.00 66.70 65.28 1yx3 h VAL 68 Cb 1.00 2.23 -0.01 0.00 -1.52 0.00 0.00 31.29 33.00 1yx3 h VAL 68 CO 0.06 0.68 -0.17 0.25 0.02 0.00 0.00 177.57 178.41 1yx3 h LEU 69 N 0.39 0.08 -1.06 2.57 5.85 -0.06 -2.26 115.31 120.82 1yx3 h LEU 69 Ca -0.09 -0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.70 1yx3 h LEU 69 Cb 1.54 -0.02 -0.07 0.00 0.37 0.00 0.00 40.66 42.48 1yx3 h LEU 69 CO 0.17 0.26 0.63 0.74 -0.34 0.00 0.00 178.44 179.90 1yx3 h THR 70 N 0.08 1.03 -0.24 1.05 2.02 -1.49 0.26 112.91 115.62 1yx3 h THR 70 Ca 0.02 -0.37 -0.05 0.00 0.77 0.00 0.00 66.41 66.78 1yx3 h THR 70 Cb 0.35 -0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 66.62 1yx3 h THR 70 CO 0.02 0.20 -0.05 0.11 0.37 0.00 0.00 175.52 176.17 1yx3 h LYS 71 N 1.07 0.45 -0.43 6.66 1.57 -1.53 -1.17 116.57 123.20 1yx3 h LYS 71 Ca 0.44 -0.17 -0.03 0.00 -1.87 0.00 0.00 60.65 59.03 1yx3 h LYS 71 Cb 0.28 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 1yx3 h LYS 71 CO -0.19 0.67 0.16 0.00 -0.57 0.00 0.00 179.45 179.52 1yx3 h ALA 72 N 0.76 0.55 -0.48 3.86 0.00 -1.15 -1.81 119.26 121.00 1yx3 h ALA 72 Ca 0.06 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1yx3 h ALA 72 Cb 0.50 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1yx3 h ALA 72 CO 0.02 0.16 0.02 0.28 0.00 0.00 0.00 179.25 179.73 1yx3 h VAL 73 N 0.54 1.26 -0.79 0.00 2.07 -0.55 -0.15 116.25 118.64 1yx3 h VAL 73 Ca 0.14 -1.03 0.04 0.00 0.82 0.00 0.00 66.70 66.67 1yx3 h VAL 73 Cb 0.20 0.99 -0.05 0.00 -1.52 0.00 0.00 31.29 30.91 1yx3 h VAL 73 CO -0.01 0.36 0.52 1.23 0.02 0.00 0.00 177.57 179.69 1yx3 h GLY 74 N 0.69 1.10 1.12 2.17 0.00 -0.97 0.20 103.07 107.38 1yx3 h GLY 74 Ca 0.14 -0.37 -0.25 0.00 0.00 0.00 0.00 47.33 46.85 1yx3 h GLY 74 CO 0.02 0.32 -0.98 0.50 0.00 0.00 0.00 176.54 176.39 1yx3 h LYS 75 N 0.95 0.63 -0.32 4.80 1.57 -1.11 -1.50 116.57 121.59 1yx3 h LYS 75 Ca 0.32 -0.71 -0.18 0.00 -1.87 0.00 0.00 60.65 58.22 1yx3 h LYS 75 Cb 0.08 0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.60 1yx3 h LYS 75 CO -0.10 1.29 -0.50 -0.22 -0.57 0.00 0.00 179.45 179.36 1yx3 h LYS 76 N 0.27 0.89 0.04 3.15 3.11 -0.48 -3.32 116.57 120.23 1yx3 h LYS 76 Ca -0.13 -0.53 -0.20 0.00 -2.81 0.00 0.00 60.65 56.98 1yx3 h LYS 76 Cb 1.65 0.05 -0.02 0.00 -1.00 0.00 0.00 32.23 32.92 1yx3 h LYS 76 CO 0.19 1.18 -1.06 -0.07 -2.81 0.00 0.00 179.45 176.88 1yx3 h LEU 77 N 0.70 0.15 0.00 5.20 4.07 -0.74 -3.51 115.31 121.17 1yx3 h LEU 77 Ca 0.03 -0.75 0.00 0.00 0.08 0.00 0.00 57.88 57.24 1yx3 h LEU 77 Cb 1.10 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.79 1yx3 h LEU 77 CO 0.11 1.44 0.00 0.61 -1.08 0.00 0.00 178.44 179.52 1yx3 n GLY 78 N 1.59 2.42 3.85 0.83 0.00 -0.56 -4.97 105.19 108.34 1yx3 n GLY 78 Ca -0.25 -1.68 -0.29 0.00 0.00 0.00 0.00 46.02 43.81 1yx3 n GLY 78 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1yx3 n LYS 79 N 1.48 -5.94 0.00 1.61 5.02 -1.26 -3.71 118.16 115.37 1yx3 n LYS 79 Ca 0.00 0.64 0.00 0.00 -2.02 0.00 0.00 58.31 56.93 1yx3 n LYS 79 Cb 0.00 -5.55 0.00 0.00 -0.02 0.00 0.00 35.03 29.46 1yx3 n LYS 79 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1yx3 n GLU 80 N -4.72 0.00 0.00 1.97 2.13 -1.25 -4.86 120.64 113.91 1yx3 n GLU 80 Ca 0.02 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.84 1yx3 n GLU 80 Cb 0.54 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.25 1yx3 n GLU 80 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1yx3 n LYS 81 N 0.00 0.00 -1.36 5.31 3.00 -1.24 -3.90 118.16 119.96 1yx3 n LYS 81 Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 58.31 57.93 1yx3 n LYS 81 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.01 1yx3 n LYS 81 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1yx3 n GLY 82 N 0.00 4.00 3.70 3.14 0.00 -1.26 -4.79 105.19 109.98 1yx3 n GLY 82 Ca 0.00 -1.42 -0.30 0.00 0.00 0.00 0.00 46.02 44.29 1yx3 n GLY 82 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1yx3 s ASN 83 N 2.95 3.46 0.27 1.61 3.84 -1.26 -4.65 114.94 121.16 1yx3 s ASN 83 Ca 0.57 1.77 -0.00 0.00 0.21 0.00 0.00 52.86 55.41 1yx3 s ASN 83 Cb 0.15 -2.39 0.54 0.00 -0.55 0.00 0.00 41.25 39.00 1yx3 s ASN 83 CO -0.05 -2.69 1.79 0.28 -2.79 0.00 0.00 177.10 173.64 1yx3 h SER 84 N -1.58 0.67 0.34 -4.21 0.02 -1.97 0.25 113.55 107.07 1yx3 h SER 84 Ca -0.47 0.08 -0.18 0.00 -0.84 0.00 0.00 61.79 60.37 1yx3 h SER 84 Cb 1.27 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.75 1yx3 h SER 84 CO 0.50 0.31 -0.75 0.11 -1.14 0.00 0.00 176.83 175.87 1yx3 h LYS 85 N 0.75 0.34 -0.40 3.45 6.56 -1.97 -1.72 116.57 123.58 1yx3 h LYS 85 Ca 0.48 -0.29 -0.09 0.00 -1.06 0.00 0.00 60.65 59.69 1yx3 h LYS 85 Cb 0.61 0.06 -0.01 0.00 -0.57 0.00 0.00 32.23 32.32 1yx3 h LYS 85 CO -0.33 0.94 -0.08 -0.92 -2.06 0.00 0.00 179.45 177.00 1yx3 h TYR 86 N 0.23 0.86 0.00 -1.35 3.20 -1.43 -0.28 116.97 118.20 1yx3 h TYR 86 Ca -0.03 -0.18 -0.10 0.00 3.14 0.00 0.00 58.73 61.56 1yx3 h TYR 86 Cb 1.32 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 39.37 1yx3 h TYR 86 CO 0.04 0.89 -0.48 -0.07 -1.64 0.00 0.00 178.16 176.90 1yx3 h LEU 87 N 0.58 0.00 -0.01 2.82 3.38 -0.62 -2.35 115.31 119.11 1yx3 h LEU 87 Ca 0.10 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 1yx3 h LEU 87 Cb 0.60 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1yx3 h LEU 87 CO 0.04 0.48 -0.30 0.22 0.09 0.00 0.00 178.44 178.97 1yx3 h TYR 88 N 0.00 0.00 0.00 1.13 3.20 -0.98 -0.07 116.97 120.25 1yx3 h TYR 88 Ca -0.00 0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.75 1yx3 h TYR 88 Cb 1.14 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.39 1yx3 h TYR 88 CO 0.00 0.30 -0.79 0.66 -1.64 0.00 0.00 178.16 176.69 1yx3 h SER 89 N 0.00 0.00 0.35 -2.11 4.64 -0.98 -2.24 113.55 113.21 1yx3 h SER 89 Ca -0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1yx3 h SER 89 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1yx3 h SER 89 CO 0.04 0.48 -0.17 -0.07 -0.87 0.00 0.00 176.83 176.24 1yx3 h LEU 90 N 0.00 -0.40 -7.19 5.97 3.38 -1.18 -3.42 115.31 112.47 1yx3 h LEU 90 Ca -0.05 -0.15 -0.58 0.00 0.09 0.00 0.00 57.88 57.19 1yx3 h LEU 90 Cb 1.41 0.10 -0.40 0.00 0.09 0.00 0.00 40.66 41.87 1yx3 h LEU 90 CO 0.05 -0.04 -0.76 -0.36 0.09 0.00 0.00 178.44 177.43 1yx3 s PHE 91 N -4.69 1.69 -2.00 1.13 0.08 -0.06 -5.01 117.98 109.12 1yx3 s PHE 91 Ca -0.14 -1.67 0.11 0.00 0.12 0.00 0.00 56.93 55.35 1yx3 s PHE 91 Cb 0.02 -1.66 0.65 0.00 -0.57 0.00 0.00 43.02 41.46 1yx3 s PHE 91 CO 0.53 -0.85 1.29 -2.30 -0.10 0.00 0.00 175.22 173.79 1yx3 n PRO 92 N 4.85 0.84 -0.15 0.24 -0.02 -0.84 -2.76 135.00 137.16 1yx3 n PRO 92 Ca -0.03 0.00 0.07 0.00 -2.02 0.00 0.00 63.50 61.52 1yx3 n PRO 92 Cb 0.43 -1.20 0.13 0.00 -0.02 0.00 0.00 33.50 32.84 1yx3 n PRO 92 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1yx3 n TYR 93 N -0.70 0.26 0.00 6.00 4.01 -1.26 -4.98 117.16 120.48 1yx3 n TYR 93 Ca 0.08 -0.78 0.00 0.00 -0.16 0.00 0.00 57.90 57.04 1yx3 n TYR 93 Cb 0.04 -0.14 0.00 0.00 -0.31 0.00 0.00 39.34 38.92 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 -0.75 1.71 0.29 2.72 0.00 -1.11 -4.63 105.19 103.43 1yx3 n GLY 94 Ca 0.12 -0.70 -0.08 0.00 0.00 0.00 0.00 46.02 45.37 1yx3 n GLY 94 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1yx3 n PRO 95 N 0.11 -0.31 -0.07 1.61 -0.02 -1.18 0.26 135.00 135.41 1yx3 n PRO 95 Ca 0.00 1.24 -0.15 0.00 -2.02 0.00 0.00 63.50 62.57 1yx3 n PRO 95 Cb 0.00 -1.82 -0.06 0.00 -0.02 0.00 0.00 33.50 31.60 1yx3 n PRO 95 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1yx3 h ALA 96 N 0.17 0.37 -0.03 3.55 0.00 -1.87 -2.13 119.26 119.32 1yx3 h ALA 96 Ca 0.11 -0.48 -0.13 0.00 0.00 0.00 0.00 54.91 54.41 1yx3 h ALA 96 Cb 0.29 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1yx3 h ALA 96 CO -0.66 0.53 -0.56 -0.22 0.00 0.00 0.00 179.25 178.33 1yx3 h LYS 97 N 0.45 0.09 0.15 0.00 3.11 -1.61 0.33 116.57 119.10 1yx3 h LYS 97 Ca 0.01 -0.06 -0.30 0.00 -2.81 0.00 0.00 60.65 57.48 1yx3 h LYS 97 Cb 1.08 0.01 0.03 0.00 -1.00 0.00 0.00 32.23 32.35 1yx3 h LYS 97 CO 0.11 0.63 -1.29 0.37 -2.81 0.00 0.00 179.45 176.46 1yx3 h GLN 98 N 0.07 0.55 -0.28 1.90 5.75 -0.22 -2.38 115.11 120.49 1yx3 h GLN 98 Ca -0.00 -0.80 -0.19 0.00 -0.15 0.00 0.00 58.65 57.52 1yx3 h GLN 98 Cb 1.02 0.27 0.00 0.00 1.07 0.00 0.00 27.48 29.84 1yx3 h GLN 98 CO 0.08 1.36 -0.55 0.00 -2.65 0.00 0.00 178.83 177.07 1yx3 h ALA 99 N 0.32 0.48 -0.04 3.38 0.00 -1.15 -2.62 119.26 119.63 1yx3 h ALA 99 Ca -0.19 -0.52 -0.09 0.00 0.00 0.00 0.00 54.91 54.11 1yx3 h ALA 99 Cb 1.97 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.67 1yx3 h ALA 99 CO 0.24 0.68 -0.40 0.00 0.00 0.00 0.00 179.25 179.78 1yx3 h ARG 101 N 0.07 -0.26 0.00 0.00 2.43 -1.22 0.19 114.38 115.59 1yx3 h ARG 101 Ca 0.01 0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.08 1yx3 h ARG 101 Cb 0.74 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.33 1yx3 h ARG 101 CO 0.05 -0.17 -0.55 0.74 -1.51 0.00 0.00 179.97 178.54 1yx3 h PHE 102 N -0.27 0.00 0.00 2.20 0.04 -1.04 -2.85 116.94 115.03 1yx3 h PHE 102 Ca 0.11 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.88 1yx3 h PHE 102 Cb 0.42 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.57 1yx3 h PHE 102 CO -0.33 0.55 0.00 0.00 -0.60 0.00 0.00 178.31 177.92 1yx3 n ALA 103 N -2.42 2.18 -1.40 2.45 0.00 0.47 -4.22 120.51 117.57 1yx3 n ALA 103 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1yx3 n ALA 103 Cb 0.57 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.57 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 1.10 0.40 3.77 0.00 0.00 0.40 -4.90 105.19 105.96 1yx3 n GLY 104 Ca 0.05 -0.99 -0.39 0.00 0.00 0.00 0.00 46.02 44.69 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 4.56 0.22 0.99 1.43 0.31 -4.48 118.68 121.71 1yx3 s LEU 105 Ca 0.00 1.80 -0.32 0.00 -1.03 0.00 0.00 54.13 54.59 1yx3 s LEU 105 Cb 0.00 -3.58 -0.14 0.00 0.03 0.00 0.00 46.19 42.50 1yx3 s LEU 105 CO 0.00 0.13 1.33 -2.65 0.23 0.00 0.00 176.35 175.39 1yx3 n PRO 106 N 1.32 1.77 -1.46 1.29 -0.02 -1.26 -4.66 135.00 131.98 1yx3 n PRO 106 Ca -0.03 0.63 -0.48 0.00 -2.02 0.00 0.00 63.50 61.60 1yx3 n PRO 106 Cb 0.48 -2.24 -0.07 0.00 -0.02 0.00 0.00 33.50 31.65 1yx3 n PRO 106 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1yx3 n LYS 107 N 1.95 1.01 -2.85 -0.52 4.81 -1.26 -4.86 118.16 116.44 1yx3 n LYS 107 Ca 0.13 0.24 -0.44 0.00 -0.87 0.00 0.00 58.31 57.37 1yx3 n LYS 107 Cb 0.29 -2.50 -0.01 0.00 0.02 0.00 0.00 35.03 32.83 1yx3 n LYS 107 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1yx3 s PRO 108 N 6.65 3.90 0.00 1.64 0.04 -1.26 -4.67 135.00 141.30 1yx3 s PRO 108 Ca 1.10 -2.15 0.00 0.00 0.04 0.00 0.00 61.00 60.00 1yx3 s PRO 108 Cb -0.81 -5.13 0.00 0.00 0.04 0.00 0.00 34.50 28.60 1yx3 s PRO 108 CO 0.46 -1.89 0.00 2.41 0.04 0.00 0.00 177.00 178.02 1yx3 n THR 109 N 5.34 0.00 0.00 1.26 -1.04 -1.26 -4.73 114.28 113.84 1yx3 n THR 109 Ca 0.35 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.36 1yx3 n THR 109 Cb 0.46 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.97 1yx3 n THR 109 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1yx3 n GLY 110 N 0.00 2.12 3.66 3.41 0.00 -1.26 -4.94 105.19 108.17 1yx3 n GLY 110 Ca 0.00 -0.34 -0.43 0.00 0.00 0.00 0.00 46.02 45.25 1yx3 n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32