#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yfl s LEU 2 N 0.00 3.64 0.26 4.03 1.02 -1.26 -4.59 118.68 121.79 1yfl s LEU 2 Ca 0.00 1.69 0.01 0.00 0.02 0.00 0.00 54.13 55.85 1yfl s LEU 2 Cb 0.00 -4.52 -0.04 0.00 0.02 0.00 0.00 46.19 41.65 1yfl s LEU 2 CO 0.00 -0.75 0.44 -0.83 0.02 0.00 0.00 176.35 175.23 1yfl s GLY 3 N -2.78 1.51 0.44 -3.19 0.00 -1.26 -4.67 107.32 97.37 1yfl s GLY 3 Ca 0.61 -0.94 0.11 0.00 0.00 0.00 0.00 44.72 44.50 1yfl s GLY 3 CO 0.30 -0.91 2.04 0.00 0.00 0.00 0.00 173.10 174.53 1yfl h ALA 4 N 1.40 1.73 -2.80 3.20 0.00 -1.59 -3.44 119.26 117.76 1yfl h ALA 4 Ca -0.49 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.20 1yfl h ALA 4 Cb 1.21 -0.09 -0.22 0.00 0.00 0.00 0.00 17.79 18.69 1yfl h ALA 4 CO 0.64 0.21 -0.41 0.96 0.00 0.00 0.00 179.25 180.66 1yfl s ILE 5 N -5.11 0.05 0.30 0.00 -4.36 -1.25 -4.37 121.20 106.46 1yfl s ILE 5 Ca -0.06 -0.41 -0.29 0.00 -0.26 0.00 0.00 60.65 59.62 1yfl s ILE 5 Cb 0.17 -0.46 -0.13 0.00 1.25 0.00 0.00 42.46 43.29 1yfl s ILE 5 CO 0.71 -0.23 1.30 0.00 0.24 0.00 0.00 174.94 176.96 1yfl n ALA 6 N 1.86 1.07 -3.53 2.27 0.00 -1.26 -4.78 120.51 116.13 1yfl n ALA 6 Ca -0.19 0.38 -0.12 0.00 0.00 0.00 0.00 53.44 53.51 1yfl n ALA 6 Cb 0.56 -2.23 -0.09 0.00 0.00 0.00 0.00 19.45 17.69 1yfl n ALA 6 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1yfl s TYR 7 N -0.75 -0.66 -0.04 0.00 5.04 -1.26 -4.98 117.35 114.71 1yfl s TYR 7 Ca 0.60 1.48 -0.30 0.00 -2.44 0.00 0.00 57.07 56.42 1yfl s TYR 7 Cb -0.61 0.29 -0.06 0.00 0.35 0.00 0.00 41.96 41.93 1yfl s TYR 7 CO 0.58 -0.34 1.60 0.99 -1.34 0.00 0.00 175.55 177.05 1yfl s THR 8 N 0.81 3.56 0.00 4.34 2.01 -1.26 -1.49 115.64 123.61 1yfl s THR 8 Ca -0.04 0.76 0.00 0.00 0.31 0.00 0.00 61.69 62.72 1yfl s THR 8 Cb -0.05 -3.49 0.00 0.00 0.01 0.00 0.00 72.50 68.97 1yfl s THR 8 CO -0.06 -0.05 0.00 0.61 -0.69 0.00 0.00 174.62 174.43 1yfl n GLY 9 N 4.03 0.64 3.01 4.40 0.00 -1.26 -4.95 105.19 111.06 1yfl n GLY 9 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 1yfl n GLY 9 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1yfl n ASN 10 N 0.00 -4.96 0.00 1.61 0.23 -0.56 -4.94 115.26 106.64 1yfl n ASN 10 Ca 0.00 0.12 0.00 0.00 -0.53 0.00 0.00 54.58 54.17 1yfl n ASN 10 Cb 0.00 -0.69 0.00 0.00 -2.08 0.00 0.00 39.78 37.01 1yfl n ASN 10 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1yfl n LYS 11 N 2.33 1.16 -0.04 -3.83 4.76 -1.26 -4.88 118.16 116.40 1yfl n LYS 11 Ca -0.02 -0.97 -0.00 0.00 -2.87 0.00 0.00 58.31 54.45 1yfl n LYS 11 Cb 0.62 -0.92 0.00 0.00 -1.84 0.00 0.00 35.03 32.90 1yfl n LYS 11 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1yfl n GLN 12 N -0.25 -0.02 -0.01 1.97 6.02 -1.26 -0.17 117.38 123.66 1yfl n GLN 12 Ca 0.00 0.14 -0.13 0.00 -0.01 0.00 0.00 57.00 57.01 1yfl n GLN 12 Cb 0.19 -0.21 -0.09 0.00 1.02 0.00 0.00 30.24 31.15 1yfl n GLN 12 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1yfl h SER 13 N 0.00 0.04 0.78 1.08 4.64 -1.90 -3.28 113.55 114.92 1yfl h SER 13 Ca 0.03 -0.39 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 1yfl h SER 13 Cb 0.05 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1yfl h SER 13 CO -0.09 0.42 0.00 0.18 -0.87 0.00 0.00 176.83 176.47 1yfl n LEU 14 N -4.87 0.33 -0.16 5.97 4.32 0.76 -3.76 117.00 119.59 1yfl n LEU 14 Ca -0.08 0.57 -0.03 0.00 -0.02 0.00 0.00 56.01 56.45 1yfl n LEU 14 Cb 0.21 -0.50 0.03 0.00 -1.62 0.00 0.00 43.42 41.55 1yfl n LEU 14 CO 0.34 -0.31 0.74 -0.07 -1.22 0.00 0.00 177.39 176.87 1yfl h LEU 15 N 0.00 -0.60 -0.12 2.23 3.38 -1.54 0.47 115.31 119.13 1yfl h LEU 15 Ca 0.00 0.17 0.02 0.00 0.09 0.00 0.00 57.88 58.15 1yfl h LEU 15 Cb 0.39 0.36 -0.03 0.00 0.09 0.00 0.00 40.66 41.47 1yfl h LEU 15 CO 0.00 -0.20 -0.26 -0.65 0.09 0.00 0.00 178.44 177.42 1yfl h PRO 16 N -0.05 -0.22 -0.07 1.13 0.11 -1.81 0.67 132.00 131.75 1yfl h PRO 16 Ca 0.24 0.02 0.02 0.00 0.11 0.00 0.00 66.00 66.39 1yfl h PRO 16 Cb 0.42 0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.58 1yfl h PRO 16 CO -0.55 -0.15 0.12 1.49 -0.21 0.00 0.00 178.00 178.70 1yfl h GLU 17 N -0.23 0.00 0.00 1.05 4.57 -1.66 -1.31 114.58 116.99 1yfl h GLU 17 Ca 0.02 0.00 -0.16 0.00 -1.18 0.00 0.00 59.36 58.05 1yfl h GLU 17 Cb 0.30 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.87 1yfl h GLU 17 CO -0.24 0.00 -0.78 -0.07 -1.18 0.00 0.00 179.01 176.74 1yfl h LEU 18 N 0.00 0.00 -0.23 1.64 3.38 0.39 -3.28 115.31 117.21 1yfl h LEU 18 Ca 0.04 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.80 1yfl h LEU 18 Cb 0.28 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1yfl h LEU 18 CO -0.00 0.73 -0.91 0.11 0.09 0.00 0.00 178.44 178.46 1yfl h LYS 19 N 0.00 0.26 0.00 1.13 1.57 0.13 -3.13 116.57 116.53 1yfl h LYS 19 Ca -0.02 -0.29 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 1yfl h LYS 19 Cb 1.57 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.97 1yfl h LYS 19 CO 0.09 1.01 0.17 -1.13 -0.57 0.00 0.00 179.45 179.02 1yfl n SER 20 N -3.68 0.00 -0.00 0.86 3.41 -1.11 -0.20 113.62 112.91 1yfl n SER 20 Ca -0.05 0.25 0.01 0.00 -0.26 0.00 0.00 58.87 58.82 1yfl n SER 20 Cb 0.82 -0.25 -0.01 0.00 -0.26 0.00 0.00 64.21 64.51 1yfl n SER 20 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1yfl n HIS 21 N -1.22 0.00 -1.74 7.33 8.25 -1.18 -5.04 115.22 121.61 1yfl n HIS 21 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.04 1yfl n HIS 21 Cb 0.17 -0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.25 1yfl n HIS 21 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1yfl n PHE 22 N -1.10 2.85 -1.40 4.41 3.72 0.73 -5.01 117.46 121.65 1yfl n PHE 22 Ca 0.00 0.20 -0.02 0.00 -0.05 0.00 0.00 57.45 57.58 1yfl n PHE 22 Cb 0.03 -2.62 0.01 0.00 -0.94 0.00 0.00 39.48 35.96 1yfl n PHE 22 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1yfl n PRO 23 N 2.60 0.11 -3.58 -1.08 -0.05 -1.26 -5.06 135.00 126.67 1yfl n PRO 23 Ca 0.10 -0.13 -0.37 0.00 -0.05 0.00 0.00 63.50 63.06 1yfl n PRO 23 Cb 0.36 -0.07 -0.06 0.00 -0.05 0.00 0.00 33.50 33.69 1yfl n PRO 23 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 175.50 175.66 1yfl s LYS 24 N -2.99 3.79 0.05 0.54 2.47 -1.26 -5.05 119.74 117.30 1yfl s LYS 24 Ca 0.04 0.24 -0.05 0.00 -1.56 0.00 0.00 55.97 54.65 1yfl s LYS 24 Cb -0.00 -3.14 -0.02 0.00 -1.46 0.00 0.00 37.83 33.22 1yfl s LYS 24 CO 0.03 0.66 0.08 1.52 0.16 0.00 0.00 175.35 177.80 1yfl s TYR 25 N -1.19 0.28 -0.39 4.03 -0.85 -1.26 -4.78 117.35 113.19 1yfl s TYR 25 Ca 0.26 -0.69 0.23 0.00 -0.52 0.00 0.00 57.07 56.35 1yfl s TYR 25 Cb -0.15 -0.19 -0.07 0.00 0.38 0.00 0.00 41.96 41.93 1yfl s TYR 25 CO 0.14 -0.41 0.89 0.09 -1.52 0.00 0.00 175.55 174.74 1yfl n ASN 26 N 0.39 0.54 -3.73 -0.18 3.02 0.76 -4.87 115.26 111.18 1yfl n ASN 26 Ca -0.17 -0.05 -0.12 0.00 -0.03 0.00 0.00 54.58 54.21 1yfl n ASN 26 Cb 0.60 1.01 -0.11 0.00 -0.61 0.00 0.00 39.78 40.67 1yfl n ASN 26 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1yfl s ARG 27 N -3.31 0.41 -0.24 3.52 3.52 -1.25 -4.32 118.95 117.27 1yfl s ARG 27 Ca -0.00 0.60 -0.10 0.00 -0.13 0.00 0.00 55.73 56.09 1yfl s ARG 27 Cb 0.13 0.13 -0.05 0.00 -1.56 0.00 0.00 34.95 33.60 1yfl s ARG 27 CO 0.83 -0.09 0.16 0.12 -0.81 0.00 0.00 175.30 175.51 1yfl s PHE 28 N 0.60 3.29 -0.22 5.12 2.19 0.43 -0.19 117.98 129.20 1yfl s PHE 28 Ca -0.03 0.19 -0.06 0.00 0.33 0.00 0.00 56.93 57.36 1yfl s PHE 28 Cb -0.05 -2.28 -0.03 0.00 -1.31 0.00 0.00 43.02 39.36 1yfl s PHE 28 CO -0.04 0.02 0.02 0.08 1.83 0.00 0.00 175.22 177.14 1yfl s VAL 29 N 1.15 4.07 -0.97 3.12 1.01 0.12 -0.18 120.40 128.73 1yfl s VAL 29 Ca 0.07 -0.26 -0.04 0.00 0.00 0.00 0.00 61.98 61.75 1yfl s VAL 29 Cb -0.14 -2.86 0.24 0.00 0.00 0.00 0.00 36.38 33.62 1yfl s VAL 29 CO 0.05 0.40 0.89 -0.67 0.00 0.00 0.00 175.10 175.78 1yfl n ASP 30 N 4.49 4.62 -0.24 3.32 -0.08 0.54 0.17 116.55 129.37 1yfl n ASP 30 Ca -0.17 -3.11 0.00 0.00 -1.51 0.00 0.00 54.79 50.00 1yfl n ASP 30 Cb 0.52 -1.15 0.07 0.00 2.34 0.00 0.00 41.12 42.90 1yfl n ASP 30 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 1yfl h LEU 31 N 6.15 -0.71 -7.71 -2.67 5.85 -1.73 0.12 115.31 114.61 1yfl h LEU 31 Ca 0.17 0.21 -0.66 0.00 0.84 0.00 0.00 57.88 58.45 1yfl h LEU 31 Cb 0.82 0.45 -0.39 0.00 0.37 0.00 0.00 40.66 41.92 1yfl h LEU 31 CO 0.91 -0.24 -0.75 -0.36 -0.34 0.00 0.00 178.44 177.66 1yfl s PHE 32 N -6.22 3.44 -0.06 1.25 0.40 -1.19 -3.93 117.98 111.67 1yfl s PHE 32 Ca -0.14 -2.68 0.08 0.00 -0.60 0.00 0.00 56.93 53.59 1yfl s PHE 32 Cb 0.20 -2.51 -0.12 0.00 0.51 0.00 0.00 43.02 41.10 1yfl s PHE 32 CO 0.74 -0.92 0.20 0.00 0.70 0.00 0.00 175.22 175.95 1yfl n GLY 34 N 1.92 0.23 0.34 0.00 0.00 -1.26 -1.07 105.19 105.35 1yfl n GLY 34 Ca -0.01 0.21 0.18 0.00 0.00 0.00 0.00 46.02 46.40 1yfl n GLY 34 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1yfl h GLY 35 N 0.00 0.00 -0.75 -0.02 0.00 -1.92 -3.46 103.07 96.91 1yfl h GLY 35 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.14 1yfl h GLY 35 CO 0.00 0.00 -0.19 1.04 0.00 0.00 0.00 176.54 177.39 1yfl n LEU 36 N -3.69 -0.94 -0.08 3.11 4.77 -0.23 -1.92 117.00 118.02 1yfl n LEU 36 Ca 0.01 0.14 -0.00 0.00 -0.03 0.00 0.00 56.01 56.13 1yfl n LEU 36 Cb 0.32 -1.55 0.27 0.00 -2.33 0.00 0.00 43.42 40.14 1yfl n LEU 36 CO 0.26 -0.34 1.04 0.28 -1.33 0.00 0.00 177.39 177.30 1yfl h SER 37 N 0.00 0.65 0.00 -1.43 0.02 -1.83 -2.60 113.55 108.36 1yfl h SER 37 Ca -0.20 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 1yfl h SER 37 Cb 0.80 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.18 1yfl h SER 37 CO 0.27 0.60 0.00 0.52 -1.14 0.00 0.00 176.83 177.08 1yfl n VAL 38 N -4.34 0.00 -0.24 2.27 0.31 -1.26 -4.27 118.33 110.79 1yfl n VAL 38 Ca 0.04 0.42 -0.06 0.00 -0.01 0.00 0.00 64.34 64.73 1yfl n VAL 38 Cb 0.17 -1.33 -0.06 0.00 -0.91 0.00 0.00 33.84 31.71 1yfl n VAL 38 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1yfl n SER 39 N -2.00 -0.62 0.07 4.52 7.64 -1.25 0.30 113.62 122.28 1yfl n SER 39 Ca 0.00 1.13 0.03 0.00 1.01 0.00 0.00 58.87 61.04 1yfl n SER 39 Cb 0.00 -0.18 0.14 0.00 -1.01 0.00 0.00 64.21 63.16 1yfl n SER 39 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1yfl n LEU 40 N -4.53 0.14 -2.09 -3.43 4.77 -0.98 -2.67 117.00 108.20 1yfl n LEU 40 Ca 0.01 0.41 -0.05 0.00 -0.03 0.00 0.00 56.01 56.35 1yfl n LEU 40 Cb 0.15 -0.38 0.06 0.00 -2.33 0.00 0.00 43.42 40.91 1yfl n LEU 40 CO -0.09 -0.45 0.10 0.59 -1.33 0.00 0.00 177.39 176.20 1yfl n ASN 41 N -1.60 2.36 -4.15 -1.43 3.02 0.87 -4.88 115.26 109.45 1yfl n ASN 41 Ca -0.00 -2.70 -0.28 0.00 -0.03 0.00 0.00 54.58 51.57 1yfl n ASN 41 Cb 0.24 -0.41 -0.07 0.00 -0.61 0.00 0.00 39.78 38.93 1yfl n ASN 41 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1yfl n VAL 42 N -0.48 0.00 -3.26 2.41 0.24 -1.09 -4.99 118.33 111.16 1yfl n VAL 42 Ca 0.18 -2.37 -0.38 0.00 -2.04 0.00 0.00 64.34 59.72 1yfl n VAL 42 Cb 0.90 0.71 -0.06 0.00 -1.47 0.00 0.00 33.84 33.92 1yfl n VAL 42 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1yfl s ASN 43 N -3.60 6.70 0.95 -1.34 0.01 -1.26 -5.04 114.94 111.36 1yfl s ASN 43 Ca 0.13 0.84 -0.11 0.00 -0.71 0.00 0.00 52.86 53.02 1yfl s ASN 43 Cb 0.01 -2.31 0.14 0.00 0.41 0.00 0.00 41.25 39.50 1yfl s ASN 43 CO 0.09 -0.06 1.02 0.61 -1.51 0.00 0.00 177.10 177.25 1yfl n GLY 44 N 3.38 -0.78 3.82 0.66 0.00 -1.26 -4.60 105.19 106.41 1yfl n GLY 44 Ca -0.06 -0.76 -0.33 0.00 0.00 0.00 0.00 46.02 44.87 1yfl n GLY 44 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1yfl s PRO 45 N -4.46 3.75 -0.08 1.61 0.04 -1.26 -4.88 135.00 129.72 1yfl s PRO 45 Ca 0.66 1.11 0.02 0.00 0.04 0.00 0.00 61.00 62.83 1yfl s PRO 45 Cb -0.23 -2.10 0.01 0.00 0.04 0.00 0.00 34.50 32.23 1yfl s PRO 45 CO 0.60 -0.44 -0.12 0.08 0.04 0.00 0.00 177.00 177.16 1yfl s VAL 46 N -2.43 1.19 -0.55 -0.36 1.01 -0.29 -0.43 120.40 118.54 1yfl s VAL 46 Ca 0.62 -0.49 -0.12 0.00 0.00 0.00 0.00 61.98 61.99 1yfl s VAL 46 Cb -0.13 -1.10 0.14 0.00 0.00 0.00 0.00 36.38 35.29 1yfl s VAL 46 CO 0.29 0.37 0.47 -0.22 0.00 0.00 0.00 175.10 176.02 1yfl s LEU 47 N 0.86 6.02 -0.41 3.92 2.96 0.75 0.51 118.68 133.28 1yfl s LEU 47 Ca -0.11 -2.02 -0.22 0.00 -0.22 0.00 0.00 54.13 51.57 1yfl s LEU 47 Cb -0.15 -2.11 0.02 0.00 0.50 0.00 0.00 46.19 44.45 1yfl s LEU 47 CO 0.01 -0.73 0.70 0.00 -1.32 0.00 0.00 176.35 175.01 1yfl s ALA 48 N 1.22 3.37 0.01 5.97 0.00 0.12 -0.34 121.76 132.12 1yfl s ALA 48 Ca 0.07 -1.00 0.07 0.00 0.00 0.00 0.00 51.96 51.10 1yfl s ALA 48 Cb -0.25 -3.32 -0.03 0.00 0.00 0.00 0.00 23.12 19.52 1yfl s ALA 48 CO -0.00 -1.67 -0.19 1.21 0.00 0.00 0.00 175.76 175.10 1yfl s ASN 49 N 1.97 3.68 -0.08 0.00 2.47 0.42 0.58 114.94 123.98 1yfl s ASN 49 Ca 0.26 -0.40 -0.22 0.00 0.42 0.00 0.00 52.86 52.92 1yfl s ASN 49 Cb -0.14 -0.59 0.05 0.00 -1.45 0.00 0.00 41.25 39.12 1yfl s ASN 49 CO 0.19 0.28 0.51 -0.62 -3.72 0.00 0.00 177.10 173.74 1yfl s ASP 50 N -1.15 -0.46 0.25 -4.21 -1.08 0.02 -0.38 116.67 109.66 1yfl s ASP 50 Ca 0.13 0.58 0.09 0.00 -0.52 0.00 0.00 52.55 52.83 1yfl s ASP 50 Cb -0.10 0.60 0.28 0.00 -1.46 0.00 0.00 42.92 42.23 1yfl s ASP 50 CO 0.03 -0.44 1.57 -0.29 0.52 0.00 0.00 175.17 176.56 1yfl h ILE 51 N 3.66 1.47 -0.79 4.11 2.10 -1.85 -3.21 117.51 123.00 1yfl h ILE 51 Ca -0.28 -2.25 -0.41 0.00 1.08 0.00 0.00 64.86 63.00 1yfl h ILE 51 Cb 1.16 2.21 -0.06 0.00 -1.09 0.00 0.00 36.82 39.04 1yfl h ILE 51 CO 0.34 0.64 1.12 -1.10 -1.08 0.00 0.00 178.15 178.07 1yfl s GLN 52 N -3.53 2.94 0.36 2.19 -0.21 -1.26 -4.70 119.66 115.45 1yfl s GLN 52 Ca -0.01 -0.81 0.15 0.00 0.02 0.00 0.00 55.36 54.71 1yfl s GLN 52 Cb 0.12 -5.21 1.05 0.00 1.00 0.00 0.00 33.01 29.97 1yfl s GLN 52 CO 0.77 -3.08 1.71 1.49 -2.12 0.00 0.00 175.29 174.06 1yfl h GLU 53 N 10.30 0.40 0.25 2.91 4.81 -1.88 -0.83 114.58 130.54 1yfl h GLU 53 Ca 0.18 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.39 1yfl h GLU 53 Cb 0.98 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.24 1yfl h GLU 53 CO 1.29 0.27 -0.39 -1.35 -0.73 0.00 0.00 179.01 178.09 1yfl h PRO 54 N 0.41 -0.69 0.00 0.92 0.11 -1.98 0.62 132.00 131.40 1yfl h PRO 54 Ca 0.68 0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.82 1yfl h PRO 54 Cb 1.56 0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.82 1yfl h PRO 54 CO -0.47 -0.46 -0.08 0.82 -0.21 0.00 0.00 178.00 177.61 1yfl h ILE 55 N -0.71 0.95 0.03 4.15 2.04 -1.61 0.84 117.51 123.20 1yfl h ILE 55 Ca -0.00 -0.28 -0.24 0.00 1.00 0.00 0.00 64.86 65.34 1yfl h ILE 55 Cb 0.69 1.15 0.01 0.00 -0.74 0.00 0.00 36.82 37.93 1yfl h ILE 55 CO -0.15 0.08 -1.01 0.40 0.00 0.00 0.00 178.15 177.46 1yfl h ILE 56 N 0.00 1.40 -0.09 -0.67 1.08 -0.35 -2.90 117.51 115.98 1yfl h ILE 56 Ca -0.00 -2.53 -0.16 0.00 -0.39 0.00 0.00 64.86 61.78 1yfl h ILE 56 Cb 0.15 2.51 -0.01 0.00 -3.07 0.00 0.00 36.82 36.40 1yfl h ILE 56 CO 0.01 0.75 -0.64 -0.33 -0.69 0.00 0.00 178.15 177.26 1yfl h GLU 57 N 0.22 0.33 -0.41 2.37 4.39 0.92 -1.94 114.58 120.46 1yfl h GLU 57 Ca -0.10 -0.24 0.04 0.00 0.34 0.00 0.00 59.36 59.40 1yfl h GLU 57 Cb 1.67 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 30.33 1yfl h GLU 57 CO 0.18 0.86 0.28 1.98 -1.16 0.00 0.00 179.01 181.14 1yfl h MET 58 N 0.24 0.40 0.02 2.33 4.05 -0.82 0.16 114.93 121.30 1yfl h MET 58 Ca -0.01 -0.02 -0.00 0.00 -0.28 0.00 0.00 59.70 59.38 1yfl h MET 58 Cb 1.17 -0.09 0.00 0.00 -0.80 0.00 0.00 31.60 31.88 1yfl h MET 58 CO 0.11 0.26 -0.01 1.88 0.23 0.00 0.00 176.91 179.38 1yfl h TYR 59 N 0.41 -0.02 -0.88 1.39 0.05 -1.25 -1.08 116.97 115.59 1yfl h TYR 59 Ca 0.17 -0.00 0.20 0.00 0.05 0.00 0.00 58.73 59.15 1yfl h TYR 59 Cb 0.17 0.01 -0.12 0.00 1.01 0.00 0.00 36.73 37.80 1yfl h TYR 59 CO -0.00 0.75 0.40 0.87 -1.05 0.00 0.00 178.16 179.12 1yfl h LYS 60 N -0.86 0.43 0.00 4.88 1.57 -0.92 -2.48 116.57 119.17 1yfl h LYS 60 Ca -0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1yfl h LYS 60 Cb 0.78 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.99 1yfl h LYS 60 CO 0.00 0.28 0.00 -2.13 -0.57 0.00 0.00 179.45 177.03 1yfl n ARG 61 N -5.01 0.00 -0.18 3.15 3.00 0.52 -3.28 116.66 114.85 1yfl n ARG 61 Ca 0.21 0.26 0.14 0.00 -0.00 0.00 0.00 57.85 58.46 1yfl n ARG 61 Cb 0.61 -1.18 0.23 0.00 0.00 0.00 0.00 32.46 32.11 1yfl n ARG 61 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1yfl n LEU 62 N -1.27 0.03 -0.37 6.15 4.77 -0.41 -0.94 117.00 124.96 1yfl n LEU 62 Ca 0.00 0.35 0.31 0.00 -0.03 0.00 0.00 56.01 56.64 1yfl n LEU 62 Cb 0.00 -0.18 0.61 0.00 -2.33 0.00 0.00 43.42 41.53 1yfl n LEU 62 CO 0.00 -0.37 1.26 0.40 -1.33 0.00 0.00 177.39 177.34 1yfl h ILE 63 N 0.00 0.36 -0.00 -0.08 2.04 -1.46 -1.70 117.51 116.67 1yfl h ILE 63 Ca 0.27 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 66.06 1yfl h ILE 63 Cb 1.00 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.22 1yfl h ILE 63 CO -0.07 0.04 -0.42 0.59 0.00 0.00 0.00 178.15 178.29 1yfl n ASN 64 N -4.53 0.89 -4.78 1.72 4.13 -0.12 -4.99 115.26 107.58 1yfl n ASN 64 Ca 0.30 -0.94 -0.29 0.00 1.68 0.00 0.00 54.58 55.33 1yfl n ASN 64 Cb 1.16 0.78 0.14 0.00 -1.54 0.00 0.00 39.78 40.32 1yfl n ASN 64 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 1yfl s VAL 65 N -1.85 2.01 0.16 2.41 -7.23 -0.64 -5.07 120.40 110.18 1yfl s VAL 65 Ca 0.07 0.00 0.05 0.00 -1.81 0.00 0.00 61.98 60.30 1yfl s VAL 65 Cb 0.09 -2.73 -0.04 0.00 0.56 0.00 0.00 36.38 34.26 1yfl s VAL 65 CO 0.40 -0.00 -0.12 -0.94 -0.31 0.00 0.00 175.10 174.13 1yfl s SER 66 N -3.97 2.02 0.46 4.85 1.04 -1.26 -4.99 113.70 111.86 1yfl s SER 66 Ca 0.64 -0.99 0.21 0.00 0.48 0.00 0.00 55.95 56.29 1yfl s SER 66 Cb -0.15 -0.05 1.21 0.00 0.10 0.00 0.00 66.02 67.13 1yfl s SER 66 CO 0.54 -0.27 1.90 -0.25 0.98 0.00 0.00 173.24 176.15 1yfl h TRP 67 N 2.82 0.32 -0.03 5.02 -0.00 -1.98 0.35 115.95 122.44 1yfl h TRP 67 Ca -0.37 0.01 -0.01 0.00 -0.00 0.00 0.00 58.89 58.51 1yfl h TRP 67 Cb 1.20 -0.10 -0.00 0.00 -0.00 0.00 0.00 29.16 30.26 1yfl h TRP 67 CO 0.67 0.10 -0.02 0.22 -0.00 0.00 0.00 178.44 179.40 1yfl h ASP 68 N 0.26 0.08 -0.89 2.65 1.82 -1.98 0.17 116.42 118.52 1yfl h ASP 68 Ca 0.40 -0.45 0.17 0.00 -0.39 0.00 0.00 57.03 56.76 1yfl h ASP 68 Cb 1.16 -0.02 -0.16 0.00 0.68 0.00 0.00 39.33 40.99 1yfl h ASP 68 CO -0.10 0.51 -0.27 0.44 -1.61 0.00 0.00 179.24 178.22 1yfl h ASP 69 N -0.35 -0.99 0.52 2.28 3.32 -0.76 0.57 116.42 121.00 1yfl h ASP 69 Ca 0.01 0.27 -0.02 0.00 0.02 0.00 0.00 57.03 57.31 1yfl h ASP 69 Cb 0.49 0.60 -0.00 0.00 0.22 0.00 0.00 39.33 40.63 1yfl h ASP 69 CO 0.01 -0.30 -0.32 0.58 -1.72 0.00 0.00 179.24 177.49 1yfl h VAL 70 N -0.02 0.00 -0.91 -1.35 2.07 -0.80 -2.69 116.25 112.56 1yfl h VAL 70 Ca 0.40 0.00 0.22 0.00 0.82 0.00 0.00 66.70 68.14 1yfl h VAL 70 Cb 0.64 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.28 1yfl h VAL 70 CO -0.92 0.00 0.43 -0.07 0.02 0.00 0.00 177.57 177.03 1yfl h LEU 71 N -0.79 0.40 0.01 2.57 3.38 0.92 -2.05 115.31 119.74 1yfl h LEU 71 Ca -0.07 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1yfl h LEU 71 Cb 0.63 0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 1yfl h LEU 71 CO 0.06 0.03 -0.04 0.11 0.09 0.00 0.00 178.44 178.70 1yfl h LYS 72 N 0.44 -0.05 -1.66 1.13 1.57 0.26 -0.38 116.57 117.88 1yfl h LYS 72 Ca 0.57 0.00 0.49 0.00 -1.87 0.00 0.00 60.65 59.84 1yfl h LYS 72 Cb 1.06 0.01 -0.08 0.00 0.08 0.00 0.00 32.23 33.30 1yfl h LYS 72 CO -0.51 -0.03 1.18 0.28 -0.57 0.00 0.00 179.45 179.80 1yfl h VAL 73 N -0.05 0.14 0.29 0.50 2.07 -1.05 0.28 116.25 118.43 1yfl h VAL 73 Ca 0.00 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 1yfl h VAL 73 Cb 0.05 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 29.94 1yfl h VAL 73 CO -0.02 0.00 -0.14 0.40 0.02 0.00 0.00 177.57 177.83 1yfl h ILE 74 N 0.02 0.37 -0.38 4.57 2.04 -1.00 -2.57 117.51 120.56 1yfl h ILE 74 Ca 0.82 -0.83 0.08 0.00 1.00 0.00 0.00 64.86 65.93 1yfl h ILE 74 Cb 3.18 0.62 -0.09 0.00 -0.74 0.00 0.00 36.82 39.79 1yfl h ILE 74 CO -0.07 0.09 -0.32 0.11 0.00 0.00 0.00 178.15 177.97 1yfl h LYS 75 N -1.01 -0.25 -0.16 2.37 1.79 0.10 0.55 116.57 119.97 1yfl h LYS 75 Ca -0.04 0.02 0.05 0.00 -2.18 0.00 0.00 60.65 58.49 1yfl h LYS 75 Cb 0.45 0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 31.15 1yfl h LYS 75 CO 0.07 -0.16 0.48 0.37 -1.08 0.00 0.00 179.45 179.12 1yfl h GLN 76 N -0.25 0.00 -0.00 3.15 4.15 -0.74 0.45 115.11 121.86 1yfl h GLN 76 Ca 0.17 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.59 1yfl h GLN 76 Cb 0.53 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.22 1yfl h GLN 76 CO -0.52 0.00 -0.46 0.66 -1.93 0.00 0.00 178.83 176.58 1yfl n TYR 77 N -3.08 0.00 -3.71 3.99 4.02 0.11 -4.99 117.16 113.51 1yfl n TYR 77 Ca 0.02 0.00 -0.25 0.00 -0.01 0.00 0.00 57.90 57.66 1yfl n TYR 77 Cb 0.56 0.00 0.05 0.00 -0.02 0.00 0.00 39.34 39.94 1yfl n TYR 77 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 176.86 176.21 1yfl n LYS 78 N -0.88 -6.26 -2.72 -0.72 0.00 0.16 -4.82 118.16 102.92 1yfl n LYS 78 Ca 0.03 0.71 -0.37 0.00 -0.00 0.00 0.00 58.31 58.68 1yfl n LYS 78 Cb 0.22 -5.59 -0.06 0.00 -0.00 0.00 0.00 35.03 29.60 1yfl n LYS 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1yfl s LEU 79 N -7.02 4.28 -0.16 -5.58 1.43 -1.14 -4.91 118.68 105.58 1yfl s LEU 79 Ca 0.40 1.89 -0.33 0.00 -1.03 0.00 0.00 54.13 55.05 1yfl s LEU 79 Cb -0.19 -4.07 0.13 0.00 0.03 0.00 0.00 46.19 42.10 1yfl s LEU 79 CO 0.78 -0.18 1.14 -0.55 0.23 0.00 0.00 176.35 177.78 1yfl s SER 80 N -1.61 -0.19 0.00 2.29 0.15 -1.26 -4.94 113.70 108.14 1yfl s SER 80 Ca 0.52 0.02 0.00 0.00 0.70 0.00 0.00 55.95 57.19 1yfl s SER 80 Cb -0.19 0.19 0.00 0.00 -1.71 0.00 0.00 66.02 64.31 1yfl s SER 80 CO 0.25 -0.30 0.00 2.29 1.20 0.00 0.00 173.24 176.67 1yfl n LYS 81 N -0.06 0.00 0.00 5.44 0.00 -1.26 0.30 118.16 122.58 1yfl n LYS 81 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.29 1yfl n LYS 81 Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.62 1yfl n LYS 81 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1yfl n THR 82 N -2.29 0.66 -2.23 0.58 -2.24 -1.26 -3.34 114.28 104.15 1yfl n THR 82 Ca 0.00 -0.81 -0.42 0.00 -2.27 0.00 0.00 64.05 60.54 1yfl n THR 82 Cb 0.00 0.68 -0.00 0.00 -2.10 0.00 0.00 70.33 68.91 1yfl n THR 82 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1yfl n SER 83 N -0.33 4.47 -0.14 3.42 3.41 0.86 -4.80 113.62 120.52 1yfl n SER 83 Ca 0.00 -2.88 -0.11 0.00 -0.26 0.00 0.00 58.87 55.62 1yfl n SER 83 Cb 0.18 -1.71 -0.02 0.00 -0.26 0.00 0.00 64.21 62.41 1yfl n SER 83 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1yfl h LYS 84 N 7.03 0.80 0.03 4.33 3.11 -1.91 -2.58 116.57 127.38 1yfl h LYS 84 Ca 0.49 -0.32 -0.26 0.00 -2.81 0.00 0.00 60.65 57.76 1yfl h LYS 84 Cb 0.78 -0.04 0.01 0.00 -1.00 0.00 0.00 32.23 31.99 1yfl h LYS 84 CO 1.62 0.94 -1.05 0.93 -2.81 0.00 0.00 179.45 179.07 1yfl h GLU 85 N 0.61 0.54 -0.87 1.90 4.39 -1.99 -2.19 114.58 116.97 1yfl h GLU 85 Ca 0.10 -0.63 0.05 0.00 0.34 0.00 0.00 59.36 59.23 1yfl h GLU 85 Cb 0.65 0.19 -0.05 0.00 -0.10 0.00 0.00 28.75 29.44 1yfl h GLU 85 CO 0.04 1.24 0.57 0.93 -1.16 0.00 0.00 179.01 180.64 1yfl h GLU 86 N 0.29 0.99 0.10 2.33 3.07 -1.88 -1.60 114.58 117.88 1yfl h GLU 86 Ca -0.12 -0.06 -0.01 0.00 -0.50 0.00 0.00 59.36 58.67 1yfl h GLU 86 Cb 1.71 -0.22 0.00 0.00 -0.84 0.00 0.00 28.75 29.40 1yfl h GLU 86 CO 0.19 0.65 -0.05 0.35 -1.40 0.00 0.00 179.01 178.76 1yfl h PHE 87 N 1.02 -0.13 -1.88 4.33 3.57 -1.37 -2.61 116.94 119.86 1yfl h PHE 87 Ca 0.37 -0.00 0.56 0.00 3.53 0.00 0.00 57.97 62.42 1yfl h PHE 87 Cb 0.15 0.04 -0.09 0.00 2.79 0.00 0.00 35.95 38.84 1yfl h PHE 87 CO -0.00 -0.08 1.33 -0.07 -2.23 0.00 0.00 178.31 177.26 1yfl h LEU 88 N -0.15 0.04 0.43 0.59 3.38 -1.13 0.27 115.31 118.74 1yfl h LEU 88 Ca -0.01 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1yfl h LEU 88 Cb 0.11 0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1yfl h LEU 88 CO 0.02 -0.05 -0.21 0.11 0.09 0.00 0.00 178.44 178.41 1yfl h LYS 89 N 0.00 -0.56 -1.28 1.13 1.57 -1.18 -2.32 116.57 113.93 1yfl h LYS 89 Ca 0.94 0.04 0.37 0.00 -1.87 0.00 0.00 60.65 60.13 1yfl h LYS 89 Cb 3.63 0.13 -0.08 0.00 0.08 0.00 0.00 32.23 35.99 1yfl h LYS 89 CO -0.10 -0.36 0.89 1.25 -0.57 0.00 0.00 179.45 180.56 1yfl h LEU 90 N -1.15 0.15 0.49 2.94 5.85 -0.16 0.31 115.31 123.75 1yfl h LEU 90 Ca -0.06 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 1yfl h LEU 90 Cb 0.46 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.52 1yfl h LEU 90 CO 0.10 -0.01 -0.24 -0.09 -0.34 0.00 0.00 178.44 177.86 1yfl h ARG 91 N 0.11 -0.64 -0.74 1.25 2.43 -0.99 -2.04 114.38 113.76 1yfl h ARG 91 Ca 0.67 0.04 0.13 0.00 -0.81 0.00 0.00 59.98 60.01 1yfl h ARG 91 Cb 2.35 0.14 -0.13 0.00 -0.42 0.00 0.00 29.97 31.91 1yfl h ARG 91 CO -0.15 -0.42 -0.34 1.49 -1.51 0.00 0.00 179.97 179.04 1yfl h GLU 92 N -0.86 -0.09 -0.59 0.20 4.81 0.09 0.38 114.58 118.51 1yfl h GLU 92 Ca -0.07 0.01 0.12 0.00 -0.13 0.00 0.00 59.36 59.29 1yfl h GLU 92 Cb 0.51 0.02 -0.10 0.00 0.63 0.00 0.00 28.75 29.81 1yfl h GLU 92 CO 0.11 -0.06 0.01 -0.44 -0.73 0.00 0.00 179.01 177.90 1yfl h ASP 93 N -0.09 -0.24 0.64 1.04 3.32 -0.94 0.55 116.42 120.70 1yfl h ASP 93 Ca 0.29 0.14 -0.03 0.00 0.02 0.00 0.00 57.03 57.45 1yfl h ASP 93 Cb 0.57 0.25 0.00 0.00 0.22 0.00 0.00 39.33 40.37 1yfl h ASP 93 CO -0.79 -0.10 -0.33 0.22 -1.72 0.00 0.00 179.24 176.52 1yfl h TYR 94 N 0.13 -0.85 -1.30 4.55 3.20 0.39 0.77 116.97 123.84 1yfl h TYR 94 Ca 0.31 -0.02 0.38 0.00 3.14 0.00 0.00 58.73 62.54 1yfl h TYR 94 Cb 0.49 0.29 -0.08 0.00 1.54 0.00 0.00 36.73 38.98 1yfl h TYR 94 CO -0.35 -0.52 0.91 -0.91 -1.64 0.00 0.00 178.16 175.65 1yfl h ASN 95 N -0.88 0.13 0.00 -2.11 2.35 0.28 1.02 115.58 116.37 1yfl h ASN 95 Ca -0.08 0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.70 1yfl h ASN 95 Cb 0.69 0.02 -0.00 0.00 0.05 0.00 0.00 38.32 39.08 1yfl h ASN 95 CO 0.13 -0.01 -0.34 0.11 -1.65 0.00 0.00 177.43 175.66 1yfl h LYS 96 N 0.10 0.00 -0.07 0.81 1.57 -0.28 -3.40 116.57 115.30 1yfl h LYS 96 Ca 0.67 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 59.33 1yfl h LYS 96 Cb 2.40 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.70 1yfl h LYS 96 CO -0.14 0.04 -0.53 1.79 -0.57 0.00 0.00 179.45 180.04 1yfl h THR 97 N -1.00 1.36 -2.73 -0.16 1.35 -0.55 -3.47 112.91 107.71 1yfl h THR 97 Ca -0.01 -1.81 -0.36 0.00 -0.55 0.00 0.00 66.41 63.68 1yfl h THR 97 Cb 0.36 1.90 -0.01 0.00 -1.73 0.00 0.00 68.15 68.68 1yfl h THR 97 CO -0.01 0.53 -0.47 0.54 -0.25 0.00 0.00 175.52 175.87 1yfl n ARG 98 N -3.92 -1.80 -2.57 4.72 5.12 0.35 -4.93 116.66 113.62 1yfl n ARG 98 Ca -0.02 0.86 -0.42 0.00 -1.93 0.00 0.00 57.85 56.34 1yfl n ARG 98 Cb 0.56 -5.36 -0.03 0.00 -1.16 0.00 0.00 32.46 26.47 1yfl n ARG 98 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1yfl s ASP 99 N -2.27 6.36 0.20 0.55 2.15 -1.26 -4.94 116.67 117.46 1yfl s ASP 99 Ca 0.03 -0.07 -0.12 0.00 0.43 0.00 0.00 52.55 52.83 1yfl s ASP 99 Cb -0.02 -2.56 0.25 0.00 -0.30 0.00 0.00 42.92 40.30 1yfl s ASP 99 CO 0.04 -1.59 1.26 -2.65 -0.17 0.00 0.00 175.17 172.06 1yfl n PRO 100 N 8.73 -0.15 -0.29 4.34 -0.02 -1.26 -0.50 135.00 145.85 1yfl n PRO 100 Ca 0.07 1.25 0.21 0.00 -2.02 0.00 0.00 63.50 63.01 1yfl n PRO 100 Cb 0.49 -1.86 0.51 0.00 -0.02 0.00 0.00 33.50 32.61 1yfl n PRO 100 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1yfl h LEU 101 N 0.00 0.44 -0.43 2.45 7.12 -1.92 0.39 115.31 123.36 1yfl h LEU 101 Ca 0.32 0.06 -0.15 0.00 0.13 0.00 0.00 57.88 58.24 1yfl h LEU 101 Cb 0.52 -0.01 -0.01 0.00 -0.53 0.00 0.00 40.66 40.63 1yfl h LEU 101 CO -0.81 0.13 -0.31 -0.07 -0.13 0.00 0.00 178.44 177.25 1yfl h LEU 102 N 0.41 1.02 -0.64 2.25 3.38 -1.20 -2.78 115.31 117.75 1yfl h LEU 102 Ca 0.54 -0.44 0.04 0.00 0.09 0.00 0.00 57.88 58.11 1yfl h LEU 102 Cb 1.34 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 41.76 1yfl h LEU 102 CO -0.24 1.24 0.37 0.25 0.09 0.00 0.00 178.44 180.15 1yfl h LEU 103 N 0.81 0.58 -1.27 1.67 5.85 -0.92 -0.89 115.31 121.14 1yfl h LEU 103 Ca 0.08 0.02 0.13 0.00 0.84 0.00 0.00 57.88 58.95 1yfl h LEU 103 Cb 0.90 -0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.76 1yfl h LEU 103 CO 0.08 0.39 0.57 0.22 -0.34 0.00 0.00 178.44 179.37 1yfl h TYR 104 N 0.71 0.84 -0.00 1.25 3.20 -1.12 -1.29 116.97 120.56 1yfl h TYR 104 Ca 0.27 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.15 1yfl h TYR 104 Cb 0.10 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.10 1yfl h TYR 104 CO -0.07 0.33 -0.04 0.28 -1.64 0.00 0.00 178.16 177.02 1yfl h VAL 105 N 0.73 1.57 -0.55 1.81 2.07 -1.12 -3.32 116.25 117.44 1yfl h VAL 105 Ca 0.43 -1.75 0.10 0.00 0.82 0.00 0.00 66.70 66.30 1yfl h VAL 105 Cb 0.63 2.74 -0.11 0.00 -1.52 0.00 0.00 31.29 33.03 1yfl h VAL 105 CO -0.20 0.46 -0.35 -0.07 0.02 0.00 0.00 177.57 177.44 1yfl h LEU 106 N -0.68 -1.19 -1.07 2.57 3.38 -0.77 0.18 115.31 117.73 1yfl h LEU 106 Ca -0.00 0.22 0.06 0.00 0.09 0.00 0.00 57.88 58.25 1yfl h LEU 106 Cb 0.78 0.58 -0.01 0.00 0.09 0.00 0.00 40.66 42.09 1yfl h LEU 106 CO 0.01 -0.31 0.74 -0.74 0.09 0.00 0.00 178.44 178.22 1yfl h HIS 107 N -0.19 0.00 0.00 1.13 -0.00 -1.35 1.14 115.15 115.89 1yfl h HIS 107 Ca 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.58 1yfl h HIS 107 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.96 1yfl h HIS 107 CO -0.63 0.00 -0.29 0.74 -0.00 0.00 0.00 177.93 177.76 1yfl h PHE 108 N 0.00 0.00 -0.00 5.26 0.04 -0.77 -3.35 116.94 118.12 1yfl h PHE 108 Ca 0.09 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.86 1yfl h PHE 108 Cb 1.57 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.72 1yfl h PHE 108 CO 0.00 0.00 -0.02 0.72 -0.60 0.00 0.00 178.31 178.41 1yfl n HIS 109 N -2.66 0.00 -1.84 -0.55 8.25 0.39 -3.57 115.22 115.24 1yfl n HIS 109 Ca 0.04 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.16 1yfl n HIS 109 Cb 0.49 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.64 1yfl n HIS 109 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1yfl s GLY 110 N -0.43 2.17 -0.24 -1.41 0.00 -0.62 0.19 107.32 106.98 1yfl s GLY 110 Ca 0.04 0.52 -0.29 0.00 0.00 0.00 0.00 44.72 45.00 1yfl s GLY 110 CO 0.06 0.87 2.23 0.33 0.00 0.00 0.00 173.10 176.59 1yfl n PHE 111 N -2.28 1.91 -2.93 1.90 -0.00 -0.16 -0.64 117.46 115.26 1yfl n PHE 111 Ca 0.10 -0.08 -0.22 0.00 -0.00 0.00 0.00 57.45 57.25 1yfl n PHE 111 Cb 0.52 -2.71 0.03 0.00 -0.00 0.00 0.00 39.48 37.32 1yfl n PHE 111 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 1yfl n SER 112 N 11.60 -6.00 -2.65 -2.13 7.64 -1.26 -2.33 113.62 118.49 1yfl n SER 112 Ca 0.31 -0.25 -0.13 0.00 1.01 0.00 0.00 58.87 59.81 1yfl n SER 112 Cb 0.43 -4.83 -0.00 0.00 -1.01 0.00 0.00 64.21 58.79 1yfl n SER 112 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1yfl n ASN 113 N -2.33 -3.56 -4.75 6.43 3.02 0.19 -4.90 115.26 109.36 1yfl n ASN 113 Ca -0.12 0.10 -0.40 0.00 -0.03 0.00 0.00 54.58 54.13 1yfl n ASN 113 Cb 0.62 -3.02 -0.05 0.00 -0.61 0.00 0.00 39.78 36.73 1yfl n ASN 113 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 1yfl s MET 114 N -5.24 4.72 -0.82 3.52 1.75 -0.98 -4.87 119.30 117.37 1yfl s MET 114 Ca 0.09 1.68 0.01 0.00 -1.25 0.00 0.00 55.69 56.22 1yfl s MET 114 Cb -0.05 -3.23 0.20 0.00 2.84 0.00 0.00 34.83 34.59 1yfl s MET 114 CO 0.11 0.31 0.67 -0.89 -0.65 0.00 0.00 175.02 174.57 1yfl n ILE 115 N 1.42 2.44 -3.52 10.11 5.41 -1.26 -4.72 119.36 129.23 1yfl n ILE 115 Ca -0.01 -5.02 -0.37 0.00 1.00 0.00 0.00 62.75 58.35 1yfl n ILE 115 Cb 0.46 -2.29 -0.07 0.00 -0.71 0.00 0.00 39.64 37.03 1yfl n ILE 115 CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 1yfl s ARG 116 N -1.45 4.15 0.01 0.38 3.52 -1.26 -5.03 118.95 119.28 1yfl s ARG 116 Ca 0.27 0.18 0.04 0.00 -0.13 0.00 0.00 55.73 56.09 1yfl s ARG 116 Cb -0.05 -3.38 -0.02 0.00 -1.56 0.00 0.00 34.95 29.94 1yfl s ARG 116 CO -0.14 0.34 -0.14 0.42 -0.81 0.00 0.00 175.30 174.97 1yfl s ILE 117 N 0.13 1.08 0.34 4.11 1.01 -1.26 -1.90 121.20 124.71 1yfl s ILE 117 Ca 0.19 -0.75 0.02 0.00 0.00 0.00 0.00 60.65 60.11 1yfl s ILE 117 Cb -0.14 -0.93 0.06 0.00 0.01 0.00 0.00 42.46 41.46 1yfl s ILE 117 CO 0.06 0.17 0.47 -0.46 0.00 0.00 0.00 174.94 175.18 1yfl n ASN 118 N 2.38 0.88 -0.07 3.58 0.23 -0.43 -4.84 115.26 116.99 1yfl n ASN 118 Ca -0.16 -1.68 -0.12 0.00 -0.53 0.00 0.00 54.58 52.09 1yfl n ASN 118 Cb 0.55 -0.28 -0.06 0.00 -2.08 0.00 0.00 39.78 37.91 1yfl n ASN 118 CO 0.00 0.00 0.00 -2.24 -0.93 0.00 0.00 177.26 174.09 1yfl h ASP 119 N -0.14 -1.47 0.00 0.53 -0.00 -2.02 0.66 116.42 113.98 1yfl h ASP 119 Ca -0.16 0.20 0.00 0.00 -0.00 0.00 0.00 57.03 57.08 1yfl h ASP 119 Cb 0.63 0.62 0.00 0.00 -0.00 0.00 0.00 39.33 40.58 1yfl h ASP 119 CO 0.19 -0.41 0.00 0.29 -0.00 0.00 0.00 179.24 179.31 1yfl n LYS 120 N -5.42 0.26 -2.26 4.15 5.02 -1.26 -4.80 118.16 113.85 1yfl n LYS 120 Ca -0.03 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.21 1yfl n LYS 120 Cb 0.36 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.88 1yfl n LYS 120 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1yfl n GLY 121 N -0.48 0.29 3.72 0.72 0.00 0.23 -5.04 105.19 104.64 1yfl n GLY 121 Ca 0.06 -0.63 -0.33 0.00 0.00 0.00 0.00 46.02 45.12 1yfl n GLY 121 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1yfl s ASN 122 N -2.86 5.36 -0.12 1.61 0.01 -1.25 -4.73 114.94 112.95 1yfl s ASN 122 Ca 0.03 0.08 -0.29 0.00 -0.71 0.00 0.00 52.86 51.97 1yfl s ASN 122 Cb -0.02 -1.48 -0.03 0.00 0.41 0.00 0.00 41.25 40.14 1yfl s ASN 122 CO 0.04 0.29 1.39 0.12 -1.51 0.00 0.00 177.10 177.44 1yfl s PHE 123 N -1.09 2.59 0.00 2.20 2.19 -1.26 -1.31 117.98 121.29 1yfl s PHE 123 Ca 0.20 0.75 0.00 0.00 0.33 0.00 0.00 56.93 58.21 1yfl s PHE 123 Cb -0.12 -3.64 0.00 0.00 -1.31 0.00 0.00 43.02 37.96 1yfl s PHE 123 CO 0.10 -2.39 0.83 0.25 1.83 0.00 0.00 175.22 175.84 1yfl n THR 124 N 5.35 0.69 -1.92 0.12 -2.24 -0.80 -4.96 114.28 110.53 1yfl n THR 124 Ca 0.15 -0.72 -0.41 0.00 -2.27 0.00 0.00 64.05 60.80 1yfl n THR 124 Cb 0.44 0.68 -0.01 0.00 -2.10 0.00 0.00 70.33 69.33 1yfl n THR 124 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1yfl s THR 125 N -0.69 2.36 0.92 4.28 2.01 -1.26 -4.98 115.64 118.29 1yfl s THR 125 Ca 0.00 0.33 -0.12 0.00 0.31 0.00 0.00 61.69 62.22 1yfl s THR 125 Cb 0.00 -3.21 0.14 0.00 0.01 0.00 0.00 72.50 69.44 1yfl s THR 125 CO 0.00 0.07 1.09 -2.84 -0.69 0.00 0.00 174.62 172.25 1yfl s PRO 126 N -1.19 1.04 0.62 4.92 0.02 -1.26 -4.79 135.00 134.36 1yfl s PRO 126 Ca 0.56 0.75 -0.18 0.00 0.02 0.00 0.00 61.00 62.14 1yfl s PRO 126 Cb -0.44 -1.79 -0.02 0.00 0.02 0.00 0.00 34.50 32.27 1yfl s PRO 126 CO 0.52 -2.37 1.24 0.12 -0.33 0.00 0.00 177.00 176.18 1yfl s PHE 127 N -2.94 2.26 -0.20 6.54 5.36 -1.26 -0.99 117.98 126.74 1yfl s PHE 127 Ca 0.64 1.51 0.09 0.00 -0.96 0.00 0.00 56.93 58.21 1yfl s PHE 127 Cb -0.18 -3.55 0.19 0.00 -0.34 0.00 0.00 43.02 39.13 1yfl s PHE 127 CO 0.57 -2.49 1.13 0.41 -1.46 0.00 0.00 175.22 173.38 1yfl n GLY 128 N 0.63 3.61 3.93 13.12 0.00 0.13 -3.85 105.19 122.75 1yfl n GLY 128 Ca 0.14 -0.49 -0.25 0.00 0.00 0.00 0.00 46.02 45.42 1yfl n GLY 128 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1yfl n LYS 129 N -0.61 -3.27 -3.69 1.61 5.02 -1.26 -4.68 118.16 111.29 1yfl n LYS 129 Ca 0.09 0.42 -0.09 0.00 -2.02 0.00 0.00 58.31 56.70 1yfl n LYS 129 Cb 0.46 -4.53 -0.02 0.00 -0.02 0.00 0.00 35.03 30.91 1yfl n LYS 129 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 1yfl s ARG 130 N -6.50 1.58 0.00 1.97 3.03 -1.21 -4.82 118.95 113.00 1yfl s ARG 130 Ca 0.03 -0.78 0.00 0.00 2.03 0.00 0.00 55.73 57.00 1yfl s ARG 130 Cb -0.01 0.60 0.00 0.00 -1.03 0.00 0.00 34.95 34.51 1yfl s ARG 130 CO 0.88 -0.72 0.00 -2.37 -1.13 0.00 0.00 175.30 171.97 1yfl n THR 131 N -0.43 0.00 -0.96 4.99 5.66 -1.23 -4.22 114.28 118.08 1yfl n THR 131 Ca -0.09 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.62 1yfl n THR 131 Cb 0.61 0.00 0.18 0.00 -1.55 0.00 0.00 70.33 69.57 1yfl n THR 131 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 175.07 172.29 1yfl s ILE 132 N -2.08 2.34 0.35 1.09 -4.36 -1.26 -4.87 121.20 112.41 1yfl s ILE 132 Ca 0.00 0.11 -0.12 0.00 -0.26 0.00 0.00 60.65 60.38 1yfl s ILE 132 Cb 0.00 -2.43 0.05 0.00 1.25 0.00 0.00 42.46 41.33 1yfl s ILE 132 CO 0.00 -0.14 0.67 -0.46 0.24 0.00 0.00 174.94 175.25 1yfl n ASN 133 N -4.24 -1.94 0.00 4.36 2.04 -1.26 -5.02 115.26 109.21 1yfl n ASN 133 Ca 0.06 -2.46 0.00 0.00 -0.44 0.00 0.00 54.58 51.75 1yfl n ASN 133 Cb 0.55 3.26 0.00 0.00 -2.53 0.00 0.00 39.78 41.06 1yfl n ASN 133 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 1yfl n LYS 134 N -0.48 0.00 -0.14 -3.83 5.02 -1.26 0.15 118.16 117.63 1yfl n LYS 134 Ca -0.07 0.64 0.28 0.00 -2.02 0.00 0.00 58.31 57.14 1yfl n LYS 134 Cb 0.53 -1.00 0.65 0.00 -0.02 0.00 0.00 35.03 35.19 1yfl n LYS 134 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 1yfl h ASN 135 N 0.00 0.00 -0.42 4.39 -0.26 -1.99 -2.74 115.58 114.55 1yfl h ASN 135 Ca 0.00 0.00 0.06 0.00 -0.56 0.00 0.00 56.30 55.80 1yfl h ASN 135 Cb 0.00 0.00 -0.09 0.00 -1.06 0.00 0.00 38.32 37.17 1yfl h ASN 135 CO 0.00 0.00 -0.49 0.28 -1.06 0.00 0.00 177.43 176.16 1yfl h SER 136 N 0.00 -1.65 0.52 5.81 0.02 -0.69 0.72 113.55 118.28 1yfl h SER 136 Ca 0.41 0.23 -0.13 0.00 -0.84 0.00 0.00 61.79 61.46 1yfl h SER 136 Cb 2.08 0.70 -0.02 0.00 0.14 0.00 0.00 62.40 65.30 1yfl h SER 136 CO -0.00 -0.39 -0.60 -0.08 -1.14 0.00 0.00 176.83 174.62 1yfl h GLU 137 N -0.36 0.08 0.12 3.45 4.81 -1.61 0.15 114.58 121.22 1yfl h GLU 137 Ca 0.11 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 1yfl h GLU 137 Cb 0.59 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.98 1yfl h GLU 137 CO -0.60 0.65 -0.06 0.87 -0.73 0.00 0.00 179.01 179.15 1yfl h LYS 138 N 0.06 -0.16 0.14 1.92 1.57 -1.37 0.68 116.57 119.41 1yfl h LYS 138 Ca -0.01 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1yfl h LYS 138 Cb 1.07 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 33.38 1yfl h LYS 138 CO 0.08 -0.00 -0.35 0.00 -0.57 0.00 0.00 179.45 178.61 1yfl h ARG 139 N -0.28 -0.57 -0.45 3.15 3.08 0.56 -0.50 114.38 119.36 1yfl h ARG 139 Ca -0.02 0.04 0.07 0.00 0.07 0.00 0.00 59.98 60.14 1yfl h ARG 139 Cb 0.23 0.13 -0.09 0.00 0.08 0.00 0.00 29.97 30.31 1yfl h ARG 139 CO 0.03 -0.38 -0.45 0.35 -1.07 0.00 0.00 179.97 178.45 1yfl h PHE 140 N -0.59 -1.33 0.12 3.04 3.57 0.01 -2.10 116.94 119.66 1yfl h PHE 140 Ca 0.02 0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.60 1yfl h PHE 140 Cb 0.61 0.65 -0.01 0.00 2.79 0.00 0.00 35.95 39.99 1yfl h PHE 140 CO -0.30 -0.45 -0.18 -0.91 -2.23 0.00 0.00 178.31 174.25 1yfl h ASN 141 N -0.31 -0.51 -1.00 0.41 -0.26 0.53 -2.60 115.58 111.83 1yfl h ASN 141 Ca 0.14 0.05 0.41 0.00 -0.56 0.00 0.00 56.30 56.33 1yfl h ASN 141 Cb 0.58 0.18 -0.17 0.00 -1.06 0.00 0.00 38.32 37.85 1yfl h ASN 141 CO -0.61 -0.22 0.56 1.57 -1.06 0.00 0.00 177.43 177.68 1yfl n HIS 142 N -3.43 1.05 0.46 1.19 -0.00 -0.21 0.10 115.22 114.37 1yfl n HIS 142 Ca -0.04 1.06 -0.19 0.00 0.46 0.00 0.00 57.72 59.02 1yfl n HIS 142 Cb 0.15 -1.47 -0.09 0.00 -0.12 0.00 0.00 29.99 28.46 1yfl n HIS 142 CO 0.00 0.00 0.00 0.35 0.46 0.00 0.00 176.34 177.15 1yfl h PHE 143 N 0.00 -1.07 -0.17 1.57 3.57 -1.01 -2.92 116.94 116.91 1yfl h PHE 143 Ca 0.81 -0.03 0.05 0.00 3.53 0.00 0.00 57.97 62.34 1yfl h PHE 143 Cb 2.22 0.36 -0.01 0.00 2.79 0.00 0.00 35.95 41.31 1yfl h PHE 143 CO -0.01 -0.66 0.22 0.87 -2.23 0.00 0.00 178.31 176.50 1yfl h LYS 144 N -1.22 0.00 0.00 1.11 1.57 -0.06 0.18 116.57 118.16 1yfl h LYS 144 Ca -0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1yfl h LYS 144 Cb 0.89 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.20 1yfl h LYS 144 CO 0.19 0.00 -0.56 1.04 -0.57 0.00 0.00 179.45 179.56 1yfl n GLN 145 N -3.64 0.11 0.00 3.15 6.02 -0.53 -4.42 117.38 118.07 1yfl n GLN 145 Ca 0.01 0.03 0.00 0.00 -0.01 0.00 0.00 57.00 57.03 1yfl n GLN 145 Cb 0.34 -1.56 0.00 0.00 1.02 0.00 0.00 30.24 30.03 1yfl n GLN 145 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1yfl n ASN 146 N -1.72 3.63 0.22 1.08 4.13 -0.52 -4.77 115.26 117.31 1yfl n ASN 146 Ca 0.05 -0.07 0.14 0.00 1.68 0.00 0.00 54.58 56.38 1yfl n ASN 146 Cb 0.37 0.86 0.76 0.00 -1.54 0.00 0.00 39.78 40.24 1yfl n ASN 146 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1yfl n ASP 148 N -2.51 0.20 -1.62 0.00 5.75 -1.26 -1.76 116.55 115.35 1yfl n ASP 148 Ca -0.02 0.54 0.08 0.00 -0.01 0.00 0.00 54.79 55.39 1yfl n ASP 148 Cb 0.09 -0.59 0.36 0.00 -1.03 0.00 0.00 41.12 39.95 1yfl n ASP 148 CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 1yfl n LYS 149 N -1.71 3.88 -4.52 0.11 2.85 -0.76 -4.93 118.16 113.08 1yfl n LYS 149 Ca 0.04 -2.81 -0.27 0.00 -1.05 0.00 0.00 58.31 54.22 1yfl n LYS 149 Cb 0.23 -1.96 -0.13 0.00 -0.65 0.00 0.00 35.03 32.52 1yfl n LYS 149 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 1yfl s ILE 150 N -2.03 1.93 -0.13 0.58 1.01 -0.72 -1.13 121.20 120.71 1yfl s ILE 150 Ca 0.50 -1.49 0.02 0.00 0.00 0.00 0.00 60.65 59.69 1yfl s ILE 150 Cb 0.34 -1.70 0.01 0.00 0.01 0.00 0.00 42.46 41.12 1yfl s ILE 150 CO 0.22 0.13 -0.20 -0.63 0.00 0.00 0.00 174.94 174.46 1yfl s ILE 151 N -0.98 1.87 -0.04 2.92 -1.09 0.18 -4.92 121.20 119.15 1yfl s ILE 151 Ca 0.10 -0.87 -0.18 0.00 -2.23 0.00 0.00 60.65 57.46 1yfl s ILE 151 Cb -0.10 -1.66 -0.05 0.00 -1.58 0.00 0.00 42.46 39.07 1yfl s ILE 151 CO 0.04 0.51 0.51 -0.36 -1.23 0.00 0.00 174.94 174.41 1yfl s PHE 152 N 0.83 3.64 0.00 3.97 0.08 -1.26 -0.70 117.98 124.53 1yfl s PHE 152 Ca -0.08 1.05 0.04 0.00 0.12 0.00 0.00 56.93 58.06 1yfl s PHE 152 Cb -0.16 -2.52 -0.01 0.00 -0.57 0.00 0.00 43.02 39.76 1yfl s PHE 152 CO -0.01 0.35 -0.12 0.45 -0.10 0.00 0.00 175.22 175.80 1yfl s SER 153 N -0.11 1.36 -0.52 1.36 0.15 0.20 -4.94 113.70 111.20 1yfl s SER 153 Ca 0.28 -0.25 0.07 0.00 0.70 0.00 0.00 55.95 56.74 1yfl s SER 153 Cb -0.17 -0.14 0.28 0.00 -1.71 0.00 0.00 66.02 64.28 1yfl s SER 153 CO 0.14 0.11 0.72 -1.54 1.20 0.00 0.00 173.24 173.87 1yfl n SER 154 N 2.62 2.50 -4.39 5.45 3.41 -1.25 -0.80 113.62 121.16 1yfl n SER 154 Ca -0.15 -3.22 -0.20 0.00 -0.26 0.00 0.00 58.87 55.04 1yfl n SER 154 Cb 0.56 -0.64 -0.10 0.00 -0.26 0.00 0.00 64.21 63.77 1yfl n SER 154 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1yfl s LEU 155 N -2.28 2.57 0.22 1.04 1.43 -1.21 -4.78 118.68 115.66 1yfl s LEU 155 Ca 0.40 -1.03 -0.31 0.00 -1.03 0.00 0.00 54.13 52.16 1yfl s LEU 155 Cb 0.20 -0.81 -0.10 0.00 0.03 0.00 0.00 46.19 45.52 1yfl s LEU 155 CO -0.07 -0.11 1.52 -2.28 0.23 0.00 0.00 176.35 175.63 1yfl s HIS 156 N -2.83 2.99 0.34 0.29 5.65 -1.26 -4.05 115.29 116.42 1yfl s HIS 156 Ca 0.25 0.83 0.15 0.00 0.25 0.00 0.00 55.06 56.53 1yfl s HIS 156 Cb -0.02 -3.91 1.12 0.00 -1.18 0.00 0.00 32.58 28.59 1yfl s HIS 156 CO 0.10 -3.13 1.62 0.27 -0.65 0.00 0.00 174.74 172.95 1yfl h PHE 157 N 5.70 0.76 0.00 3.88 -5.15 -1.97 0.20 116.94 120.35 1yfl h PHE 157 Ca -0.45 0.04 0.00 0.00 -0.20 0.00 0.00 57.97 57.36 1yfl h PHE 157 Cb 1.21 -0.17 0.00 0.00 0.22 0.00 0.00 35.95 37.22 1yfl h PHE 157 CO 0.62 -0.31 0.00 0.36 -2.00 0.00 0.00 178.31 176.98 1yfl n LYS 158 N -5.18 0.05 0.00 6.09 2.85 -1.26 -1.91 118.16 118.79 1yfl n LYS 158 Ca 0.32 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.58 1yfl n LYS 158 Cb 1.05 -1.14 0.00 0.00 -0.65 0.00 0.00 35.03 34.29 1yfl n LYS 158 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1yfl n ASP 159 N -0.64 3.26 -4.49 -5.58 8.00 0.70 -4.96 116.55 112.84 1yfl n ASP 159 Ca 0.00 0.00 -0.18 0.00 0.71 0.00 0.00 54.79 55.32 1yfl n ASP 159 Cb 0.00 0.21 -0.17 0.00 -0.02 0.00 0.00 41.12 41.14 1yfl n ASP 159 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1yfl n VAL 160 N -1.83 0.00 -1.67 2.53 0.31 -0.80 -4.78 118.33 112.09 1yfl n VAL 160 Ca 0.00 -0.49 -0.44 0.00 -0.01 0.00 0.00 64.34 63.40 1yfl n VAL 160 Cb 0.36 -0.60 -0.04 0.00 -0.91 0.00 0.00 33.84 32.65 1yfl n VAL 160 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 1yfl n LYS 161 N 6.41 2.64 -3.11 5.55 0.00 -1.26 -4.94 118.16 123.44 1yfl n LYS 161 Ca 0.57 0.96 -0.39 0.00 -0.00 0.00 0.00 58.31 59.45 1yfl n LYS 161 Cb 0.25 -2.90 -0.05 0.00 -0.00 0.00 0.00 35.03 32.34 1yfl n LYS 161 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 1yfl s ILE 162 N 4.41 5.08 0.41 0.58 -1.09 -1.26 -5.07 121.20 124.25 1yfl s ILE 162 Ca 0.91 1.31 -0.03 0.00 -2.23 0.00 0.00 60.65 60.60 1yfl s ILE 162 Cb -0.52 -3.98 -0.04 0.00 -1.58 0.00 0.00 42.46 36.34 1yfl s ILE 162 CO 0.45 0.25 0.67 -0.76 -1.23 0.00 0.00 174.94 174.33 1yfl s LEU 163 N 0.86 3.83 -0.03 2.97 1.43 -1.26 -5.04 118.68 121.44 1yfl s LEU 163 Ca 0.34 0.75 -0.30 0.00 -1.03 0.00 0.00 54.13 53.89 1yfl s LEU 163 Cb -0.17 -3.65 -0.04 0.00 0.03 0.00 0.00 46.19 42.37 1yfl s LEU 163 CO 0.16 -0.42 1.16 -1.81 0.23 0.00 0.00 176.35 175.67 1yfl s ASP 164 N -3.90 7.10 0.00 2.29 1.01 -1.26 -3.55 116.67 118.36 1yfl s ASP 164 Ca 0.45 1.81 0.00 0.00 0.71 0.00 0.00 52.55 55.52 1yfl s ASP 164 Cb -0.10 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.27 1yfl s ASP 164 CO 0.39 -0.52 0.00 0.61 0.21 0.00 0.00 175.17 175.86 1yfl n GLY 165 N 3.27 1.05 3.84 0.21 0.00 -1.26 -5.04 105.19 107.27 1yfl n GLY 165 Ca 0.10 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.90 1yfl n GLY 165 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1yfl s ASP 166 N -1.64 5.36 -0.18 1.61 1.47 -1.23 -0.17 116.67 121.89 1yfl s ASP 166 Ca 0.00 -0.42 -0.05 0.00 1.18 0.00 0.00 52.55 53.26 1yfl s ASP 166 Cb 0.00 -1.11 -0.03 0.00 -0.34 0.00 0.00 42.92 41.44 1yfl s ASP 166 CO 0.00 -0.25 0.00 0.12 0.68 0.00 0.00 175.17 175.73 1yfl s PHE 167 N -2.25 3.08 -0.21 2.11 5.36 0.73 -4.53 117.98 122.27 1yfl s PHE 167 Ca 0.38 -0.27 -0.12 0.00 -0.96 0.00 0.00 56.93 55.96 1yfl s PHE 167 Cb -0.06 -2.03 -0.05 0.00 -0.34 0.00 0.00 43.02 40.53 1yfl s PHE 167 CO 0.26 -0.07 0.24 0.54 -1.46 0.00 0.00 175.22 174.73 1yfl s VAL 168 N 0.61 5.31 -0.32 3.12 0.11 -1.07 0.16 120.40 128.32 1yfl s VAL 168 Ca -0.00 0.38 -0.06 0.00 -2.93 0.00 0.00 61.98 59.37 1yfl s VAL 168 Cb -0.14 -3.58 0.03 0.00 -1.53 0.00 0.00 36.38 31.17 1yfl s VAL 168 CO 0.02 0.34 0.08 -0.47 -3.33 0.00 0.00 175.10 171.74 1yfl s TYR 169 N 0.96 3.23 -0.17 1.54 5.04 0.13 -0.54 117.35 127.53 1yfl s TYR 169 Ca 0.12 -1.40 -0.07 0.00 -2.44 0.00 0.00 57.07 53.28 1yfl s TYR 169 Cb -0.13 -2.24 -0.04 0.00 0.35 0.00 0.00 41.96 39.90 1yfl s TYR 169 CO 0.04 -0.71 0.07 0.08 -1.34 0.00 0.00 175.55 173.70 1yfl s VAL 170 N 1.40 4.89 -0.46 3.14 1.01 0.25 -2.82 120.40 127.80 1yfl s VAL 170 Ca -0.01 -0.00 0.07 0.00 0.00 0.00 0.00 61.98 62.03 1yfl s VAL 170 Cb -0.19 -3.18 0.24 0.00 0.00 0.00 0.00 36.38 33.24 1yfl s VAL 170 CO 0.02 0.49 0.75 -0.67 0.00 0.00 0.00 175.10 175.70 1yfl n ASP 171 N 3.19 -2.04 -3.64 3.32 2.03 -1.26 -0.98 116.55 117.18 1yfl n ASP 171 Ca -0.17 -3.07 -0.18 0.00 0.52 0.00 0.00 54.79 51.88 1yfl n ASP 171 Cb 0.53 1.07 0.11 0.00 -0.72 0.00 0.00 41.12 42.11 1yfl n ASP 171 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1yfl n PRO 172 N 1.75 -0.33 -1.83 -0.67 -0.04 -1.26 -4.76 135.00 127.85 1yfl n PRO 172 Ca 0.14 -1.76 -0.41 0.00 -0.04 0.00 0.00 63.50 61.43 1yfl n PRO 172 Cb 0.59 -0.69 -0.01 0.00 -0.04 0.00 0.00 33.50 33.36 1yfl n PRO 172 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 1yfl s PRO 173 N -4.65 4.14 -0.30 0.54 0.02 -1.26 -4.91 135.00 128.57 1yfl s PRO 173 Ca 0.50 2.53 -0.27 0.00 0.02 0.00 0.00 61.00 63.79 1yfl s PRO 173 Cb -0.02 -3.00 0.01 0.00 0.02 0.00 0.00 34.50 31.51 1yfl s PRO 173 CO 0.34 -0.53 0.97 0.71 -0.33 0.00 0.00 177.00 178.17 1yfl s TYR 174 N -0.77 3.20 0.04 6.54 2.02 -1.26 -4.96 117.35 122.15 1yfl s TYR 174 Ca 0.56 1.11 -0.10 0.00 -0.37 0.00 0.00 57.07 58.27 1yfl s TYR 174 Cb -0.46 -3.47 -0.03 0.00 -0.40 0.00 0.00 41.96 37.60 1yfl s TYR 174 CO 0.57 -0.66 1.16 -0.07 -1.57 0.00 0.00 175.55 174.99 1yfl h LEU 175 N 9.78 -0.56 -1.79 -1.29 3.38 -1.91 -1.97 115.31 120.96 1yfl h LEU 175 Ca -0.22 0.07 0.26 0.00 0.09 0.00 0.00 57.88 58.09 1yfl h LEU 175 Cb 1.07 0.23 -0.05 0.00 0.09 0.00 0.00 40.66 42.00 1yfl h LEU 175 CO 0.97 -0.11 0.67 0.16 0.09 0.00 0.00 178.44 180.22 1yfl h ILE 176 N -0.11 0.56 -2.77 1.22 3.07 -1.93 -3.42 117.51 114.14 1yfl h ILE 176 Ca 0.02 -0.05 -0.45 0.00 1.55 0.00 0.00 64.86 65.93 1yfl h ILE 176 Cb 0.17 0.39 0.07 0.00 -0.27 0.00 0.00 36.82 37.18 1yfl h ILE 176 CO -0.18 0.03 0.09 0.42 -1.05 0.00 0.00 178.15 177.46 1yfl s THR 177 N -5.15 2.38 -0.31 0.16 -4.23 -0.74 -4.95 115.64 102.79 1yfl s THR 177 Ca -0.06 -0.52 -0.01 0.00 -1.18 0.00 0.00 61.69 59.92 1yfl s THR 177 Cb 0.23 -2.86 0.13 0.00 1.34 0.00 0.00 72.50 71.33 1yfl s THR 177 CO 0.78 0.00 0.23 -0.69 -0.54 0.00 0.00 174.62 174.41 1yfl s VAL 178 N -3.05 -0.17 0.62 2.29 1.01 -1.26 -4.76 120.40 115.08 1yfl s VAL 178 Ca 0.61 -0.91 0.07 0.00 0.00 0.00 0.00 61.98 61.75 1yfl s VAL 178 Cb -0.09 -0.96 0.10 0.00 0.00 0.00 0.00 36.38 35.43 1yfl s VAL 178 CO 0.42 -0.68 0.85 0.00 0.00 0.00 0.00 175.10 175.69 1yfl s ALA 179 N 1.86 4.43 0.05 5.51 0.00 -1.26 -5.01 121.76 127.34 1yfl s ALA 179 Ca 0.12 -2.04 -0.26 0.00 0.00 0.00 0.00 51.96 49.78 1yfl s ALA 179 Cb -0.17 -1.61 -0.17 0.00 0.00 0.00 0.00 23.12 21.17 1yfl s ALA 179 CO -0.23 -1.04 1.51 0.22 0.00 0.00 0.00 175.76 176.23 1yfl h ASP 180 N -0.03 -0.21 0.00 0.00 3.58 -1.99 -3.04 116.42 114.73 1yfl h ASP 180 Ca -0.31 -0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.01 1yfl h ASP 180 Cb 1.28 0.05 0.00 0.00 1.72 0.00 0.00 39.33 42.39 1yfl h ASP 180 CO 0.40 0.00 0.00 0.00 -2.88 0.00 0.00 179.24 176.76 1yfl n TYR 181 N -5.12 0.00 0.72 0.28 0.18 -1.26 -2.06 117.16 109.90 1yfl n TYR 181 Ca -0.09 0.00 0.06 0.00 1.88 0.00 0.00 57.90 59.75 1yfl n TYR 181 Cb 0.18 -0.03 0.35 0.00 -0.38 0.00 0.00 39.34 39.46 1yfl n TYR 181 CO 0.00 0.00 0.00 0.09 -2.08 0.00 0.00 176.86 174.87 1yfl n ASN 182 N -1.03 0.00 0.20 9.48 5.03 -1.15 -0.83 115.26 126.96 1yfl n ASN 182 Ca 0.00 -0.28 0.15 0.00 0.87 0.00 0.00 54.58 55.31 1yfl n ASN 182 Cb 0.00 -0.05 0.57 0.00 -1.02 0.00 0.00 39.78 39.27 1yfl n ASN 182 CO 0.00 0.00 0.00 0.07 -1.83 0.00 0.00 177.26 175.50 1yfl h LYS 183 N 0.00 0.00 -0.02 3.52 2.10 -1.67 -0.77 116.57 119.72 1yfl h LYS 183 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1yfl h LYS 183 Cb 0.02 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.35 1yfl h LYS 183 CO 0.00 0.00 -0.01 1.19 -2.00 0.00 0.00 179.45 178.63 1yfl n PHE 184 N -2.68 0.00 -4.31 0.07 3.72 -0.01 -4.95 117.46 109.30 1yfl n PHE 184 Ca 0.02 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.18 1yfl n PHE 184 Cb 0.29 -0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.75 1yfl n PHE 184 CO 0.00 0.00 0.00 -0.46 -0.05 0.00 0.00 176.76 176.25 1yfl s TRP 185 N -2.01 2.65 0.13 1.38 -0.00 -0.30 -5.01 118.94 115.78 1yfl s TRP 185 Ca 0.32 -0.23 -0.25 0.00 -0.00 0.00 0.00 56.10 55.94 1yfl s TRP 185 Cb 0.20 -1.20 0.08 0.00 -0.00 0.00 0.00 33.47 32.55 1yfl s TRP 185 CO 0.32 0.60 1.05 -1.54 -0.00 0.00 0.00 176.95 177.39 1yfl s SER 186 N -3.46 -0.09 0.17 5.86 1.04 -1.26 -4.99 113.70 110.97 1yfl s SER 186 Ca 0.30 -0.43 -0.10 0.00 0.48 0.00 0.00 55.95 56.20 1yfl s SER 186 Cb -0.07 0.42 0.06 0.00 0.10 0.00 0.00 66.02 66.53 1yfl s SER 186 CO 0.18 -0.80 1.63 -0.33 0.98 0.00 0.00 173.24 174.90 1yfl h GLU 187 N 2.00 1.04 -0.38 4.02 5.08 -2.00 0.39 114.58 124.73 1yfl h GLU 187 Ca -0.26 -0.34 0.11 0.00 -1.00 0.00 0.00 59.36 57.87 1yfl h GLU 187 Cb 1.22 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.36 1yfl h GLU 187 CO 0.29 1.03 0.29 -0.44 -1.00 0.00 0.00 179.01 179.18 1yfl h ASP 188 N 0.94 0.00 0.13 1.42 3.32 -1.99 0.38 116.42 120.62 1yfl h ASP 188 Ca 0.17 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 57.02 1yfl h ASP 188 Cb 0.56 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.13 1yfl h ASP 188 CO 0.03 0.00 -0.87 -0.33 -1.72 0.00 0.00 179.24 176.35 1yfl h GLU 189 N 0.00 0.29 -0.97 3.56 4.39 -1.58 -2.81 114.58 117.46 1yfl h GLU 189 Ca 0.18 -0.49 0.14 0.00 0.34 0.00 0.00 59.36 59.53 1yfl h GLU 189 Cb 0.75 0.18 -0.09 0.00 -0.10 0.00 0.00 28.75 29.50 1yfl h GLU 189 CO -0.00 1.23 0.59 1.49 -1.16 0.00 0.00 179.01 181.16 1yfl h GLU 190 N -0.38 0.86 0.50 2.33 4.57 0.53 -1.25 114.58 121.73 1yfl h GLU 190 Ca -0.16 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 57.94 1yfl h GLU 190 Cb 1.64 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 30.04 1yfl h GLU 190 CO 0.14 0.57 -0.24 0.87 -1.18 0.00 0.00 179.01 179.16 1yfl h LYS 191 N 0.88 -0.65 -0.93 1.92 6.56 -0.35 -0.63 116.57 123.37 1yfl h LYS 191 Ca 0.50 0.04 0.20 0.00 -1.06 0.00 0.00 60.65 60.33 1yfl h LYS 191 Cb 0.58 0.15 -0.11 0.00 -0.57 0.00 0.00 32.23 32.28 1yfl h LYS 191 CO -0.30 -0.43 0.50 -0.44 -2.06 0.00 0.00 179.45 176.71 1yfl h ASP 192 N -0.69 0.56 0.07 0.86 3.32 -1.25 0.49 116.42 119.78 1yfl h ASP 192 Ca -0.07 0.12 -0.00 0.00 0.02 0.00 0.00 57.03 57.10 1yfl h ASP 192 Cb 0.52 0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.11 1yfl h ASP 192 CO 0.11 0.14 -0.03 0.25 -1.72 0.00 0.00 179.24 177.99 1yfl h LEU 193 N 0.58 -0.08 -0.58 1.55 5.85 -1.17 0.96 115.31 122.42 1yfl h LEU 193 Ca 0.56 -0.03 -0.05 0.00 0.84 0.00 0.00 57.88 59.20 1yfl h LEU 193 Cb 0.95 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.97 1yfl h LEU 193 CO -0.44 -0.03 0.18 -0.07 -0.34 0.00 0.00 178.44 177.75 1yfl h LEU 194 N -0.13 0.85 0.27 2.25 3.38 0.75 0.42 115.31 123.10 1yfl h LEU 194 Ca -0.01 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 1yfl h LEU 194 Cb 0.10 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1yfl h LEU 194 CO 0.02 0.83 -0.13 0.78 0.09 0.00 0.00 178.44 180.02 1yfl h ASN 195 N 0.82 -0.31 -0.30 -0.43 2.35 -0.03 -1.66 115.58 116.03 1yfl h ASN 195 Ca 0.19 -0.14 -0.01 0.00 -0.55 0.00 0.00 56.30 55.79 1yfl h ASN 195 Cb 0.28 0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.71 1yfl h ASN 195 CO -0.01 -0.03 0.17 0.25 -1.65 0.00 0.00 177.43 176.16 1yfl h LEU 196 N -0.59 0.39 -1.81 1.61 6.46 -0.75 0.28 115.31 120.91 1yfl h LEU 196 Ca -0.04 -0.02 0.02 0.00 -0.12 0.00 0.00 57.88 57.72 1yfl h LEU 196 Cb 0.42 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 40.24 1yfl h LEU 196 CO 0.06 0.33 0.16 -0.07 -0.62 0.00 0.00 178.44 178.31 1yfl h LEU 197 N 0.45 0.21 0.75 2.25 3.38 0.14 -0.58 115.31 121.91 1yfl h LEU 197 Ca 0.12 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 1yfl h LEU 197 Cb 0.03 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 40.74 1yfl h LEU 197 CO -0.02 0.15 -0.36 0.44 0.09 0.00 0.00 178.44 178.74 1yfl h ASP 198 N 0.25 -0.85 -0.94 -0.43 3.32 0.50 -3.00 116.42 115.26 1yfl h ASP 198 Ca 0.10 0.02 0.20 0.00 0.02 0.00 0.00 57.03 57.37 1yfl h ASP 198 Cb 0.09 0.22 -0.18 0.00 0.22 0.00 0.00 39.33 39.68 1yfl h ASP 198 CO -0.02 -0.49 -0.18 -1.20 -1.72 0.00 0.00 179.24 175.63 1yfl n SER 199 N -5.45 -0.29 0.06 6.45 7.64 -0.54 0.19 113.62 121.68 1yfl n SER 199 Ca -0.13 1.62 0.09 0.00 1.01 0.00 0.00 58.87 61.46 1yfl n SER 199 Cb 0.40 -0.51 0.54 0.00 -1.01 0.00 0.00 64.21 63.63 1yfl n SER 199 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1yfl h LEU 200 N 0.00 0.25 -0.15 -3.43 3.38 -1.10 -2.07 115.31 112.20 1yfl h LEU 200 Ca 0.48 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.39 1yfl h LEU 200 Cb 0.79 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.48 1yfl h LEU 200 CO -0.95 0.17 -0.11 -1.13 0.09 0.00 0.00 178.44 176.51 1yfl h ASN 201 N 0.29 0.35 -0.34 -0.43 -0.00 0.22 0.17 115.58 115.84 1yfl h ASN 201 Ca 0.15 -0.45 0.03 0.00 -0.00 0.00 0.00 56.30 56.03 1yfl h ASN 201 Cb 0.23 -0.10 -0.02 0.00 -0.00 0.00 0.00 38.32 38.43 1yfl h ASN 201 CO -0.03 0.72 0.23 0.44 -0.00 0.00 0.00 177.43 178.79 1yfl h ASP 202 N -0.02 0.28 -0.00 1.15 5.19 -1.03 0.39 116.42 122.36 1yfl h ASP 202 Ca 0.03 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.43 1yfl h ASP 202 Cb 0.61 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 40.06 1yfl h ASP 202 CO 0.03 0.19 0.00 0.54 -3.12 0.00 0.00 179.24 176.88 1yfl n ARG 203 N -4.49 1.01 -2.22 3.56 1.74 -0.81 -4.85 116.66 110.60 1yfl n ARG 203 Ca 0.03 -0.02 -0.17 0.00 -0.77 0.00 0.00 57.85 56.92 1yfl n ARG 203 Cb 0.18 -1.08 -0.02 0.00 -1.02 0.00 0.00 32.46 30.52 1yfl n ARG 203 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1yfl n GLY 204 N 0.58 -0.07 3.51 -0.13 0.00 0.14 -4.97 105.19 104.25 1yfl n GLY 204 Ca 0.04 -0.15 -0.38 0.00 0.00 0.00 0.00 46.02 45.52 1yfl n GLY 204 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1yfl s ILE 205 N -2.84 4.87 0.39 -0.61 1.01 0.57 -4.92 121.20 119.66 1yfl s ILE 205 Ca 0.00 -0.12 -0.27 0.00 0.00 0.00 0.00 60.65 60.27 1yfl s ILE 205 Cb 0.00 -3.38 -0.09 0.00 0.01 0.00 0.00 42.46 39.00 1yfl s ILE 205 CO 0.00 0.19 1.30 -0.54 0.00 0.00 0.00 174.94 175.90 1yfl s LYS 206 N 1.68 4.05 0.04 2.79 -0.14 -1.26 -3.92 119.74 122.98 1yfl s LYS 206 Ca 0.06 2.17 -0.03 0.00 -1.36 0.00 0.00 55.97 56.80 1yfl s LYS 206 Cb -0.16 -2.82 -0.02 0.00 -1.68 0.00 0.00 37.83 33.15 1yfl s LYS 206 CO 0.08 -0.43 0.04 -0.59 -0.76 0.00 0.00 175.35 173.69 1yfl s PHE 207 N -1.24 0.30 -0.05 3.18 -0.12 -1.26 -2.60 117.98 116.19 1yfl s PHE 207 Ca 0.55 -0.69 -0.00 0.00 -0.05 0.00 0.00 56.93 56.74 1yfl s PHE 207 Cb -0.38 -0.22 0.03 0.00 -0.63 0.00 0.00 43.02 41.81 1yfl s PHE 207 CO 0.50 -0.35 -0.01 0.20 -0.05 0.00 0.00 175.22 175.50 1yfl s GLY 208 N -2.31 0.40 -0.18 1.99 0.00 0.30 -2.99 107.32 104.53 1yfl s GLY 208 Ca -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 44.72 44.67 1yfl s GLY 208 CO -0.06 0.83 -0.08 -2.27 0.00 0.00 0.00 173.10 171.52 1yfl s LEU 209 N 1.47 1.91 0.04 0.66 2.96 0.55 0.85 118.68 127.13 1yfl s LEU 209 Ca -0.03 -0.76 -0.12 0.00 -0.22 0.00 0.00 54.13 53.00 1yfl s LEU 209 Cb -0.13 -1.07 -0.06 0.00 0.50 0.00 0.00 46.19 45.44 1yfl s LEU 209 CO -0.03 -0.16 0.41 -0.55 -1.32 0.00 0.00 176.35 174.70 1yfl s SER 210 N 1.52 6.72 -0.01 3.68 0.15 -0.15 -1.02 113.70 124.60 1yfl s SER 210 Ca -0.00 0.88 -0.28 0.00 0.70 0.00 0.00 55.95 57.25 1yfl s SER 210 Cb -0.16 -2.21 0.10 0.00 -1.71 0.00 0.00 66.02 62.03 1yfl s SER 210 CO -0.08 0.24 1.28 0.21 1.20 0.00 0.00 173.24 176.09 1yfl s ASN 211 N -1.43 0.00 -0.04 5.45 3.84 -1.06 -4.43 114.94 117.27 1yfl s ASN 211 Ca 0.29 -0.22 0.06 0.00 0.21 0.00 0.00 52.86 53.20 1yfl s ASN 211 Cb -0.15 0.16 -0.01 0.00 -0.55 0.00 0.00 41.25 40.70 1yfl s ASN 211 CO 0.16 -0.32 -0.23 0.68 -2.79 0.00 0.00 177.10 174.60 1yfl s VAL 212 N -2.05 1.89 0.01 -5.21 -7.23 -1.26 -1.55 120.40 105.00 1yfl s VAL 212 Ca 0.28 -0.99 0.03 0.00 -1.81 0.00 0.00 61.98 59.50 1yfl s VAL 212 Cb -0.00 -1.59 -0.25 0.00 0.56 0.00 0.00 36.38 35.10 1yfl s VAL 212 CO -0.01 0.53 0.87 -0.07 -0.31 0.00 0.00 175.10 176.12 1yfl h LEU 213 N 5.96 0.20 -7.41 1.32 3.38 -1.82 -3.43 115.31 113.51 1yfl h LEU 213 Ca -0.35 -0.30 -0.25 0.00 0.09 0.00 0.00 57.88 57.07 1yfl h LEU 213 Cb 1.16 -0.07 -0.32 0.00 0.09 0.00 0.00 40.66 41.52 1yfl h LEU 213 CO 0.47 1.25 -0.60 -1.61 0.09 0.00 0.00 178.44 178.04 1yfl s GLU 214 N -2.63 0.08 -0.10 1.13 2.02 -1.26 -0.17 118.70 117.77 1yfl s GLU 214 Ca -0.06 0.40 -0.08 0.00 0.02 0.00 0.00 54.97 55.24 1yfl s GLU 214 Cb 0.08 -0.19 0.03 0.00 0.10 0.00 0.00 34.13 34.14 1yfl s GLU 214 CO 0.83 -0.19 0.25 -1.58 0.02 0.00 0.00 175.26 174.60 1yfl s HIS 215 N 1.32 -0.29 -1.26 1.61 2.46 -1.02 -1.24 115.29 116.88 1yfl s HIS 215 Ca -0.08 0.69 -0.01 0.00 0.47 0.00 0.00 55.06 56.14 1yfl s HIS 215 Cb -0.12 0.09 0.01 0.00 -0.13 0.00 0.00 32.58 32.43 1yfl s HIS 215 CO -0.06 -0.15 0.08 0.72 -2.47 0.00 0.00 174.74 172.86 1yfl n HIS 216 N 3.19 -1.40 0.00 3.88 8.25 -1.25 -2.16 115.22 125.73 1yfl n HIS 216 Ca -0.15 0.08 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 1yfl n HIS 216 Cb 0.57 -3.15 0.00 0.00 1.12 0.00 0.00 29.99 28.54 1yfl n HIS 216 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1yfl n GLY 217 N -0.93 2.08 2.97 -1.41 0.00 -1.26 -5.07 105.19 101.57 1yfl n GLY 217 Ca -0.15 -0.21 -0.16 0.00 0.00 0.00 0.00 46.02 45.49 1yfl n GLY 217 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1yfl n LYS 218 N 0.00 0.74 -3.76 1.61 -0.00 -0.92 -5.14 118.16 110.70 1yfl n LYS 218 Ca 0.00 -2.46 -0.13 0.00 -0.00 0.00 0.00 58.31 55.72 1yfl n LYS 218 Cb 0.00 -0.05 -0.09 0.00 -0.00 0.00 0.00 35.03 34.89 1yfl n LYS 218 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 1yfl s GLU 219 N -3.94 0.60 -0.84 -1.58 -1.05 -1.26 -2.43 118.70 108.21 1yfl s GLU 219 Ca 0.40 -0.05 -0.16 0.00 -0.15 0.00 0.00 54.97 55.01 1yfl s GLU 219 Cb -0.03 0.27 0.18 0.00 -0.44 0.00 0.00 34.13 34.11 1yfl s GLU 219 CO 0.26 -0.15 0.88 1.21 0.95 0.00 0.00 175.26 178.41 1yfl s ASN 220 N -1.00 6.66 -0.02 0.83 3.84 0.76 -4.88 114.94 121.14 1yfl s ASN 220 Ca -0.11 -2.36 -0.25 0.00 0.21 0.00 0.00 52.86 50.36 1yfl s ASN 220 Cb -0.05 -2.28 -0.20 0.00 -0.55 0.00 0.00 41.25 38.17 1yfl s ASN 220 CO 0.03 -0.79 1.21 0.74 -2.79 0.00 0.00 177.10 175.51 1yfl h THR 221 N 5.25 1.43 -0.96 -5.21 2.02 -1.97 0.29 112.91 113.76 1yfl h THR 221 Ca 0.09 -1.38 0.29 0.00 0.77 0.00 0.00 66.41 66.17 1yfl h THR 221 Cb 1.04 2.27 -0.17 0.00 -1.74 0.00 0.00 68.15 69.55 1yfl h THR 221 CO 0.91 0.37 0.20 -0.07 0.37 0.00 0.00 175.52 177.30 1yfl h LEU 222 N -0.42 -0.17 0.00 2.58 4.07 -1.99 0.39 115.31 119.77 1yfl h LEU 222 Ca 0.00 0.25 -0.24 0.00 0.08 0.00 0.00 57.88 57.97 1yfl h LEU 222 Cb 0.64 0.38 -0.04 0.00 1.08 0.00 0.00 40.66 42.72 1yfl h LEU 222 CO 0.02 -0.31 -1.49 0.17 -1.08 0.00 0.00 178.44 175.74 1yfl h LEU 223 N 0.07 0.00 -1.51 1.67 -0.00 -1.97 -2.73 115.31 110.84 1yfl h LEU 223 Ca 0.64 0.00 0.16 0.00 -0.00 0.00 0.00 57.88 58.67 1yfl h LEU 223 Cb 1.41 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 42.01 1yfl h LEU 223 CO -0.81 0.87 0.53 0.50 -0.00 0.00 0.00 178.44 179.53 1yfl h LYS 224 N 0.00 0.46 0.00 0.17 3.64 0.19 0.78 116.57 121.81 1yfl h LYS 224 Ca -0.21 -0.03 -0.13 0.00 -1.27 0.00 0.00 60.65 59.02 1yfl h LYS 224 Cb 1.84 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 33.54 1yfl h LYS 224 CO 0.08 0.30 -0.75 0.93 -2.27 0.00 0.00 179.45 177.74 1yfl h GLU 225 N 0.47 0.00 -0.93 1.90 5.08 -1.19 -3.37 114.58 116.55 1yfl h GLU 225 Ca 0.40 0.00 0.19 0.00 -1.00 0.00 0.00 59.36 58.95 1yfl h GLU 225 Cb 0.88 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.05 1yfl h GLU 225 CO -0.15 0.83 0.60 2.35 -1.00 0.00 0.00 179.01 181.64 1yfl h TRP 226 N -1.00 0.73 0.00 4.33 7.01 -1.14 -1.08 115.95 124.80 1yfl h TRP 226 Ca -0.19 0.02 0.00 0.00 2.11 0.00 0.00 58.89 60.83 1yfl h TRP 226 Cb 1.05 -0.22 0.00 0.00 -2.10 0.00 0.00 29.16 27.89 1yfl h TRP 226 CO 0.11 0.20 0.14 0.66 -2.79 0.00 0.00 178.44 176.76 1yfl h SER 227 N 0.56 0.00 -0.10 2.65 4.64 0.43 -2.52 113.55 119.21 1yfl h SER 227 Ca 0.49 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.73 1yfl h SER 227 Cb 1.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 1yfl h SER 227 CO -0.23 0.00 -0.25 0.11 -0.87 0.00 0.00 176.83 175.59 1yfl h LYS 228 N 0.00 0.34 -0.26 4.77 6.56 -1.39 -3.19 116.57 123.41 1yfl h LYS 228 Ca 0.00 -0.24 0.07 0.00 -1.06 0.00 0.00 60.65 59.43 1yfl h LYS 228 Cb 0.28 0.04 -0.01 0.00 -0.57 0.00 0.00 32.23 31.97 1yfl h LYS 228 CO 0.00 0.85 0.64 0.87 -2.06 0.00 0.00 179.45 179.75 1yfl h LYS 229 N -0.11 0.00 0.00 3.15 1.57 -1.63 -3.42 116.57 116.14 1yfl h LYS 229 Ca -0.00 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.62 1yfl h LYS 229 Cb 0.86 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.13 1yfl h LYS 229 CO 0.05 0.00 -0.13 0.66 -0.57 0.00 0.00 179.45 179.47 1yfl n TYR 230 N -3.05 0.10 -0.12 -1.35 4.01 -1.20 -5.12 117.16 110.42 1yfl n TYR 230 Ca 0.05 -0.70 0.00 0.00 -0.16 0.00 0.00 57.90 57.09 1yfl n TYR 230 Cb 0.75 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.76 1yfl n TYR 230 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1yfl n ASN 231 N -1.72 -0.15 0.00 7.72 4.13 -0.05 -4.90 115.26 120.28 1yfl n ASN 231 Ca -0.02 -0.12 0.00 0.00 1.68 0.00 0.00 54.58 56.11 1yfl n ASN 231 Cb 0.17 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.41 1yfl n ASN 231 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 1yfl n VAL 232 N -0.78 0.00 -3.05 2.41 0.31 -1.25 -4.09 118.33 111.89 1yfl n VAL 232 Ca 0.00 0.00 -0.18 0.00 -0.01 0.00 0.00 64.34 64.15 1yfl n VAL 232 Cb 0.00 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 32.91 1yfl n VAL 232 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1yfl n LYS 233 N -0.02 0.81 -1.12 5.55 5.02 -0.89 -4.94 118.16 122.56 1yfl n LYS 233 Ca 0.00 -2.80 -0.43 0.00 -2.02 0.00 0.00 58.31 53.06 1yfl n LYS 233 Cb 0.00 -1.35 -0.05 0.00 -0.02 0.00 0.00 35.03 33.61 1yfl n LYS 233 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1yfl n HIS 234 N 1.14 0.25 -0.01 2.13 8.25 -1.26 -4.07 115.22 121.65 1yfl n HIS 234 Ca 0.18 0.79 -0.01 0.00 -0.26 0.00 0.00 57.72 58.42 1yfl n HIS 234 Cb 0.59 -1.57 -0.01 0.00 1.12 0.00 0.00 29.99 30.12 1yfl n HIS 234 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1yfl n LEU 235 N 1.25 0.00 0.00 2.41 4.77 0.50 -4.97 117.00 120.96 1yfl n LEU 235 Ca 0.15 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 1yfl n LEU 235 Cb 0.10 0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1yfl n LEU 235 CO 0.46 0.04 0.00 -0.46 -1.33 0.00 0.00 177.39 176.09 1yfl n ASN 236 N -2.05 0.00 0.00 -1.43 0.23 -1.19 -4.90 115.26 105.92 1yfl n ASN 236 Ca -0.02 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.03 1yfl n ASN 236 Cb 0.54 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.24 1yfl n ASN 236 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 1yfl n ASN 250 N 0.00 0.00 -1.56 0.53 5.15 -1.26 -5.00 115.26 113.12 1yfl n ASN 250 Ca 0.00 0.00 -0.22 0.00 -0.60 0.00 0.00 54.58 53.76 1yfl n ASN 250 Cb 0.00 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.22 1yfl n ASN 250 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1yfl n GLY 251 N 0.00 0.03 3.77 8.20 0.00 -1.26 -3.85 105.19 112.08 1yfl n GLY 251 Ca 0.00 0.32 -0.35 0.00 0.00 0.00 0.00 46.02 45.99 1yfl n GLY 251 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1yfl s THR 252 N 0.77 4.79 -0.57 2.61 -1.32 -1.26 -4.55 115.64 116.12 1yfl s THR 252 Ca 0.34 -0.14 -0.19 0.00 -1.21 0.00 0.00 61.69 60.48 1yfl s THR 252 Cb -0.48 -3.08 0.08 0.00 -1.51 0.00 0.00 72.50 67.51 1yfl s THR 252 CO 0.25 0.55 0.71 -0.62 -2.21 0.00 0.00 174.62 173.30 1yfl s ASP 253 N -1.13 6.20 -0.17 8.08 2.15 -0.37 -4.57 116.67 126.86 1yfl s ASP 253 Ca 0.16 -1.17 -0.25 0.00 0.43 0.00 0.00 52.55 51.73 1yfl s ASP 253 Cb -0.12 -2.31 -0.02 0.00 -0.30 0.00 0.00 42.92 40.17 1yfl s ASP 253 CO 0.06 -1.07 0.81 -1.83 -0.17 0.00 0.00 175.17 172.97 1yfl s GLU 254 N 2.84 4.29 0.26 4.34 -1.05 -1.26 -2.40 118.70 125.72 1yfl s GLU 254 Ca 0.14 0.98 0.03 0.00 -0.15 0.00 0.00 54.97 55.98 1yfl s GLU 254 Cb -0.21 -3.57 -0.05 0.00 -0.44 0.00 0.00 34.13 29.85 1yfl s GLU 254 CO 0.09 -0.31 0.02 0.14 0.95 0.00 0.00 175.26 176.16 1yfl s VAL 255 N 2.08 1.04 -0.30 1.83 -7.23 -0.60 0.19 120.40 117.42 1yfl s VAL 255 Ca 0.38 -2.03 -0.01 0.00 -1.81 0.00 0.00 61.98 58.51 1yfl s VAL 255 Cb -0.17 -2.50 0.09 0.00 0.56 0.00 0.00 36.38 34.37 1yfl s VAL 255 CO 0.12 -0.20 0.09 -0.47 -0.31 0.00 0.00 175.10 174.33 1yfl s TYR 256 N -3.42 1.63 -0.14 2.82 5.04 -1.26 -2.55 117.35 119.48 1yfl s TYR 256 Ca 0.32 -1.63 -0.19 0.00 -2.44 0.00 0.00 57.07 53.12 1yfl s TYR 256 Cb 0.07 -1.62 -0.04 0.00 0.35 0.00 0.00 41.96 40.72 1yfl s TYR 256 CO 0.11 -0.85 0.54 0.42 -1.34 0.00 0.00 175.55 174.43 1yfl s ILE 257 N 1.64 5.13 0.37 3.14 1.01 -0.19 -2.10 121.20 130.20 1yfl s ILE 257 Ca 0.08 1.06 -0.15 0.00 0.00 0.00 0.00 60.65 61.64 1yfl s ILE 257 Cb -0.17 -3.87 0.05 0.00 0.01 0.00 0.00 42.46 38.47 1yfl s ILE 257 CO -0.23 0.26 0.75 0.72 0.00 0.00 0.00 174.94 176.44 1yfl s PHE 258 N 1.01 0.17 0.00 3.97 -0.71 -1.26 -0.33 117.98 120.83 1yfl s PHE 258 Ca 0.28 -0.78 0.00 0.00 -1.04 0.00 0.00 56.93 55.39 1yfl s PHE 258 Cb -0.16 0.74 0.00 0.00 -1.21 0.00 0.00 43.02 42.39 1yfl s PHE 258 CO 0.11 -1.49 0.33 0.27 -1.34 0.00 0.00 175.22 173.11