#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fy1 n VAL 2 N 0.00 0.60 0.00 1.12 0.24 -1.26 -5.08 118.33 113.95 2fy1 n VAL 2 Ca 0.00 -0.80 0.00 0.00 -2.04 0.00 0.00 64.34 61.50 2fy1 n VAL 2 Cb 0.00 0.77 0.00 0.00 -1.47 0.00 0.00 33.84 33.14 2fy1 n VAL 2 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 2fy1 n GLU 3 N 0.33 0.00 -3.43 7.34 4.07 -1.26 -3.21 120.64 124.48 2fy1 n GLU 3 Ca 0.07 0.00 -0.26 0.00 -0.06 0.00 0.00 57.16 56.91 2fy1 n GLU 3 Cb 0.31 0.00 -0.09 0.00 -0.06 0.00 0.00 31.44 31.60 2fy1 n GLU 3 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2fy1 n ALA 4 N 10.17 3.34 0.00 4.31 0.00 -1.26 -4.75 120.51 132.31 2fy1 n ALA 4 Ca 0.00 -4.13 0.00 0.00 0.00 0.00 0.00 53.44 49.31 2fy1 n ALA 4 Cb 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 18.57 2fy1 n ALA 4 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2fy1 n ASP 5 N 1.44 0.00 0.00 0.00 2.03 -1.20 -5.01 116.55 113.81 2fy1 n ASP 5 Ca 0.26 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.57 2fy1 n ASP 5 Cb 0.44 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.84 2fy1 n ASP 5 CO 0.00 0.00 0.00 1.57 -1.92 0.00 0.00 177.20 176.85 2fy1 n HIS 6 N -0.83 0.00 0.25 -0.67 -0.00 -1.25 -4.66 115.22 108.06 2fy1 n HIS 6 Ca 0.00 0.00 0.14 0.00 0.46 0.00 0.00 57.72 58.32 2fy1 n HIS 6 Cb 0.00 0.00 0.41 0.00 -0.12 0.00 0.00 29.99 30.28 2fy1 n HIS 6 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2fy1 h PRO 7 N 0.00 0.00 -0.92 1.57 0.13 -1.86 -3.44 132.00 127.48 2fy1 h PRO 7 Ca 0.00 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.73 2fy1 h PRO 7 Cb 0.09 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 31.06 2fy1 h PRO 7 CO 0.00 0.01 -0.36 0.41 -0.23 0.00 0.00 178.00 177.83 2fy1 n GLY 8 N 0.59 1.87 3.05 1.56 0.00 -1.26 -4.95 105.19 106.05 2fy1 n GLY 8 Ca 0.02 -0.08 -0.27 0.00 0.00 0.00 0.00 46.02 45.69 2fy1 n GLY 8 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2fy1 s LYS 9 N -3.64 2.05 -0.02 1.61 2.47 -1.26 -1.31 119.74 119.64 2fy1 s LYS 9 Ca 0.00 -0.52 0.02 0.00 -1.56 0.00 0.00 55.97 53.91 2fy1 s LYS 9 Cb 0.00 -1.71 0.01 0.00 -1.46 0.00 0.00 37.83 34.67 2fy1 s LYS 9 CO 0.00 -0.01 -0.05 -1.17 0.16 0.00 0.00 175.35 174.28 2fy1 s LEU 10 N 0.81 1.70 -0.23 5.43 2.96 -0.07 -0.88 118.68 128.40 2fy1 s LEU 10 Ca -0.11 -0.11 -0.08 0.00 -0.22 0.00 0.00 54.13 53.62 2fy1 s LEU 10 Cb -0.16 -0.36 -0.03 0.00 0.50 0.00 0.00 46.19 46.14 2fy1 s LEU 10 CO 0.02 0.02 0.08 0.12 -1.32 0.00 0.00 176.35 175.26 2fy1 s PHE 11 N 0.33 3.15 -0.18 5.38 5.36 0.48 -0.95 117.98 131.55 2fy1 s PHE 11 Ca -0.04 -0.20 -0.03 0.00 -0.96 0.00 0.00 56.93 55.71 2fy1 s PHE 11 Cb -0.08 -2.19 -0.01 0.00 -0.34 0.00 0.00 43.02 40.40 2fy1 s PHE 11 CO -0.00 -0.16 -0.07 0.42 -1.46 0.00 0.00 175.22 173.95 2fy1 s ILE 12 N 1.18 3.40 -0.19 3.12 1.09 0.55 -1.54 121.20 128.81 2fy1 s ILE 12 Ca 0.05 -0.51 -0.05 0.00 -1.10 0.00 0.00 60.65 59.03 2fy1 s ILE 12 Cb -0.14 -2.50 -0.03 0.00 -1.06 0.00 0.00 42.46 38.73 2fy1 s ILE 12 CO 0.04 0.47 0.01 -0.83 -0.10 0.00 0.00 174.94 174.53 2fy1 s GLY 13 N 0.86 1.77 0.00 6.18 0.00 0.41 -1.52 107.32 115.02 2fy1 s GLY 13 Ca -0.02 -0.89 0.00 0.00 0.00 0.00 0.00 44.72 43.81 2fy1 s GLY 13 CO 0.01 0.13 0.00 0.61 0.00 0.00 0.00 173.10 173.85 2fy1 n GLY 14 N 3.93 -0.66 4.89 0.20 0.00 -1.26 -1.30 105.19 110.98 2fy1 n GLY 14 Ca -0.17 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2fy1 n GLY 14 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2fy1 n LEU 15 N 0.00 0.00 -1.84 0.99 7.99 -1.26 -4.64 117.00 118.24 2fy1 n LEU 15 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 56.01 55.98 2fy1 n LEU 15 Cb 0.00 0.00 -0.01 0.00 -0.11 0.00 0.00 43.42 43.30 2fy1 n LEU 15 CO 0.00 0.00 -0.03 -3.20 -1.51 0.00 0.00 177.39 172.65 2fy1 n ASN 16 N 0.16 -1.15 -4.39 -1.43 5.15 -1.26 -0.11 115.26 112.23 2fy1 n ASN 16 Ca 0.00 0.27 -0.37 0.00 -0.60 0.00 0.00 54.58 53.88 2fy1 n ASN 16 Cb 0.00 -1.25 -0.08 0.00 -0.53 0.00 0.00 39.78 37.92 2fy1 n ASN 16 CO 0.00 0.00 0.00 -2.11 1.40 0.00 0.00 177.26 176.55 2fy1 n ARG 17 N -1.92 -1.25 0.06 1.20 0.00 -1.26 -4.76 116.66 108.72 2fy1 n ARG 17 Ca -0.03 0.17 0.00 0.00 -0.00 0.00 0.00 57.85 57.99 2fy1 n ARG 17 Cb 0.32 -4.36 0.00 0.00 -0.00 0.00 0.00 32.46 28.43 2fy1 n ARG 17 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 2fy1 n GLU 18 N -4.31 0.00 -3.18 2.89 2.13 0.85 -5.10 120.64 113.93 2fy1 n GLU 18 Ca -0.07 0.00 -0.21 0.00 0.66 0.00 0.00 57.16 57.54 2fy1 n GLU 18 Cb 0.56 -0.14 0.01 0.00 0.27 0.00 0.00 31.44 32.13 2fy1 n GLU 18 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 2fy1 s THR 19 N -2.00 3.96 0.00 6.31 2.01 0.05 -5.12 115.64 120.85 2fy1 s THR 19 Ca 0.00 -0.72 0.00 0.00 0.31 0.00 0.00 61.69 61.28 2fy1 s THR 19 Cb 0.00 -3.42 0.00 0.00 0.01 0.00 0.00 72.50 69.09 2fy1 s THR 19 CO 0.00 -0.24 0.00 0.59 -0.69 0.00 0.00 174.62 174.28 2fy1 n ASN 20 N -1.90 0.00 -0.07 3.53 4.13 -1.26 -4.84 115.26 114.85 2fy1 n ASN 20 Ca 0.01 -0.11 0.22 0.00 1.68 0.00 0.00 54.58 56.38 2fy1 n ASN 20 Cb 0.58 0.00 0.44 0.00 -1.54 0.00 0.00 39.78 39.26 2fy1 n ASN 20 CO 0.00 0.00 0.00 -0.08 0.28 0.00 0.00 177.26 177.46 2fy1 h GLU 21 N 0.00 0.00 0.68 3.52 4.81 -1.98 0.10 114.58 121.72 2fy1 h GLU 21 Ca 0.00 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 2fy1 h GLU 21 Cb 0.00 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.39 2fy1 h GLU 21 CO 0.00 0.00 -0.33 -0.22 -0.73 0.00 0.00 179.01 177.73 2fy1 h LYS 22 N 0.00 -0.89 -0.84 1.92 1.63 -2.00 -1.37 116.57 115.03 2fy1 h LYS 22 Ca 0.36 0.06 0.09 0.00 -0.85 0.00 0.00 60.65 60.31 2fy1 h LYS 22 Cb 2.42 0.20 -0.07 0.00 -0.60 0.00 0.00 32.23 34.18 2fy1 h LYS 22 CO -0.00 -0.56 0.49 0.00 -3.45 0.00 0.00 179.45 175.92 2fy1 h MET 23 N -1.16 0.80 0.00 1.90 -0.00 -1.24 -1.67 114.93 113.56 2fy1 h MET 23 Ca -0.09 -0.05 0.00 0.00 -0.00 0.00 0.00 59.70 59.56 2fy1 h MET 23 Cb 0.73 -0.18 0.00 0.00 -0.00 0.00 0.00 31.60 32.15 2fy1 h MET 23 CO 0.15 0.53 0.00 1.28 -0.00 0.00 0.00 176.91 178.87 2fy1 n LEU 24 N -4.72 0.00 -0.14 -0.10 4.32 -0.62 0.15 117.00 115.89 2fy1 n LEU 24 Ca 0.14 0.97 0.14 0.00 -0.02 0.00 0.00 56.01 57.24 2fy1 n LEU 24 Cb 0.27 -0.47 0.50 0.00 -1.62 0.00 0.00 43.42 42.10 2fy1 n LEU 24 CO 0.27 -0.47 1.20 0.11 -1.22 0.00 0.00 177.39 177.28 2fy1 h LYS 25 N 0.00 0.41 0.00 3.23 1.57 -1.32 -1.30 116.57 119.17 2fy1 h LYS 25 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2fy1 h LYS 25 Cb 0.00 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.22 2fy1 h LYS 25 CO 0.00 0.27 0.00 0.00 -0.57 0.00 0.00 179.45 179.15 2fy1 n ALA 26 N -2.52 -0.34 0.24 3.86 0.00 -0.63 -0.54 120.51 120.58 2fy1 n ALA 26 Ca 0.13 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.41 2fy1 n ALA 26 Cb 0.47 0.12 -0.09 0.00 0.00 0.00 0.00 19.45 19.95 2fy1 n ALA 26 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2fy1 h VAL 27 N 0.00 0.00 0.28 0.00 2.07 0.17 0.69 116.25 119.47 2fy1 h VAL 27 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 2fy1 h VAL 27 Cb 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 2fy1 h VAL 27 CO 0.00 0.00 -0.15 -0.26 0.02 0.00 0.00 177.57 177.18 2fy1 h PHE 28 N -0.87 -0.38 0.00 1.57 -1.00 -1.42 -2.87 116.94 111.98 2fy1 h PHE 28 Ca -0.05 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.72 2fy1 h PHE 28 Cb 0.77 0.13 0.00 0.00 3.61 0.00 0.00 35.95 40.46 2fy1 h PHE 28 CO -0.27 -0.23 0.16 0.41 -1.61 0.00 0.00 178.31 176.76 2fy1 n GLY 29 N -1.27 -0.74 0.34 -1.45 0.00 0.30 -2.85 105.19 99.52 2fy1 n GLY 29 Ca -0.10 0.16 0.19 0.00 0.00 0.00 0.00 46.02 46.27 2fy1 n GLY 29 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2fy1 h LYS 30 N 0.00 0.47 0.00 1.61 1.79 -0.62 -3.11 116.57 116.71 2fy1 h LYS 30 Ca 0.00 -0.03 -0.02 0.00 -2.18 0.00 0.00 60.65 58.42 2fy1 h LYS 30 Cb 0.31 -0.11 -0.04 0.00 -1.58 0.00 0.00 32.23 30.82 2fy1 h LYS 30 CO 0.00 0.31 -0.38 0.72 -1.08 0.00 0.00 179.45 179.02 2fy1 n HIS 31 N -4.96 0.00 -3.83 -1.35 8.25 -1.13 -5.02 115.22 107.18 2fy1 n HIS 31 Ca 0.27 -0.51 -0.10 0.00 -0.26 0.00 0.00 57.72 57.13 2fy1 n HIS 31 Cb 0.80 -0.11 0.02 0.00 1.12 0.00 0.00 29.99 31.82 2fy1 n HIS 31 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2fy1 n GLY 32 N -0.53 1.19 0.04 -1.41 0.00 -1.18 -4.18 105.19 99.12 2fy1 n GLY 32 Ca 0.08 -1.32 -0.01 0.00 0.00 0.00 0.00 46.02 44.77 2fy1 n GLY 32 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2fy1 h PRO 33 N 0.00 -0.07 -1.28 1.61 0.13 -1.89 -3.38 132.00 127.12 2fy1 h PRO 33 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 2fy1 h PRO 33 Cb 1.21 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2fy1 h PRO 33 CO 0.41 -0.05 0.00 -0.89 -0.23 0.00 0.00 178.00 177.24 2fy1 n ILE 34 N -2.59 -1.28 0.61 -3.56 -0.00 -1.26 -4.87 119.36 106.40 2fy1 n ILE 34 Ca -0.01 0.00 0.07 0.00 -0.00 0.00 0.00 62.75 62.81 2fy1 n ILE 34 Cb 0.03 -1.65 -0.08 0.00 -0.00 0.00 0.00 39.64 37.94 2fy1 n ILE 34 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.55 175.01 2fy1 n SER 35 N 0.00 0.72 -3.82 4.38 3.41 0.28 -4.86 113.62 113.73 2fy1 n SER 35 Ca 0.00 -0.77 -0.12 0.00 -0.26 0.00 0.00 58.87 57.72 2fy1 n SER 35 Cb 0.00 1.04 -0.10 0.00 -0.26 0.00 0.00 64.21 64.90 2fy1 n SER 35 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2fy1 s GLU 36 N -2.35 0.53 -0.06 4.33 2.02 -0.57 -4.97 118.70 117.65 2fy1 s GLU 36 Ca 0.05 -0.26 -0.00 0.00 0.02 0.00 0.00 54.97 54.78 2fy1 s GLU 36 Cb 0.10 0.23 0.03 0.00 0.10 0.00 0.00 34.13 34.59 2fy1 s GLU 36 CO 0.57 -0.13 -0.02 0.08 0.02 0.00 0.00 175.26 175.78 2fy1 s VAL 37 N -1.23 0.44 -0.02 2.63 1.01 -1.26 -1.13 120.40 120.83 2fy1 s VAL 37 Ca -0.13 0.01 0.02 0.00 0.00 0.00 0.00 61.98 61.87 2fy1 s VAL 37 Cb -0.06 -0.53 0.01 0.00 0.00 0.00 0.00 36.38 35.79 2fy1 s VAL 37 CO 0.02 0.24 -0.05 -0.22 0.00 0.00 0.00 175.10 175.09 2fy1 s LEU 38 N 1.44 1.71 -0.07 3.92 2.96 0.31 -5.01 118.68 123.94 2fy1 s LEU 38 Ca -0.03 -0.11 0.04 0.00 -0.22 0.00 0.00 54.13 53.81 2fy1 s LEU 38 Cb -0.13 -0.35 -0.00 0.00 0.50 0.00 0.00 46.19 46.20 2fy1 s LEU 38 CO -0.03 0.02 -0.20 -0.22 -1.32 0.00 0.00 176.35 174.60 2fy1 s LEU 39 N 0.30 1.96 -0.16 -0.68 1.98 -1.26 -0.89 118.68 119.94 2fy1 s LEU 39 Ca -0.03 -0.44 -0.06 0.00 -2.89 0.00 0.00 54.13 50.70 2fy1 s LEU 39 Cb -0.07 -1.18 -0.04 0.00 0.66 0.00 0.00 46.19 45.56 2fy1 s LEU 39 CO -0.00 0.16 0.04 -0.63 -1.89 0.00 0.00 176.35 174.03 2fy1 s ILE 40 N 0.16 4.61 0.00 6.68 -1.09 0.15 -4.88 121.20 126.83 2fy1 s ILE 40 Ca -0.09 -0.11 0.00 0.00 -2.23 0.00 0.00 60.65 58.22 2fy1 s ILE 40 Cb -0.15 -3.04 0.00 0.00 -1.58 0.00 0.00 42.46 37.69 2fy1 s ILE 40 CO 0.05 0.50 0.00 0.29 -1.23 0.00 0.00 174.94 174.55 2fy1 n LYS 41 N 3.17 0.79 -3.63 2.79 5.02 -1.26 -1.63 118.16 123.41 2fy1 n LYS 41 Ca -0.17 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.03 2fy1 n LYS 41 Cb 0.53 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.47 2fy1 n LYS 41 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 2fy1 s ASP 42 N 1.00 -0.38 0.00 4.39 -4.77 -1.26 -4.85 116.67 110.80 2fy1 s ASP 42 Ca 0.00 0.67 0.00 0.00 -3.30 0.00 0.00 52.55 49.92 2fy1 s ASP 42 Cb 0.00 0.66 0.00 0.00 -1.09 0.00 0.00 42.92 42.49 2fy1 s ASP 42 CO 0.00 -0.17 0.00 -1.14 0.70 0.00 0.00 175.17 174.56 2fy1 n ARG 43 N 1.83 -0.13 -0.93 2.11 0.00 -1.26 0.17 116.66 118.45 2fy1 n ARG 43 Ca -0.12 0.02 0.00 0.00 -0.00 0.00 0.00 57.85 57.76 2fy1 n ARG 43 Cb 0.56 -3.46 0.00 0.00 0.00 0.00 0.00 32.46 29.56 2fy1 n ARG 43 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.63 175.26 2fy1 n THR 44 N -1.08 0.00 0.00 5.15 5.66 -1.26 -4.60 114.28 118.14 2fy1 n THR 44 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2fy1 n THR 44 Cb 0.02 -0.11 0.00 0.00 -1.55 0.00 0.00 70.33 68.69 2fy1 n THR 44 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 2fy1 n SER 45 N -0.05 0.00 -0.33 1.09 2.88 0.53 -4.98 113.62 112.77 2fy1 n SER 45 Ca 0.00 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.66 2fy1 n SER 45 Cb 0.02 0.00 0.33 0.00 -0.75 0.00 0.00 64.21 63.81 2fy1 n SER 45 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2fy1 h LYS 46 N 0.00 0.76 -1.37 -1.46 1.57 -0.53 -3.49 116.57 112.05 2fy1 h LYS 46 Ca 0.00 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2fy1 h LYS 46 Cb 0.00 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.14 2fy1 h LYS 46 CO 0.00 0.50 0.00 0.45 -0.57 0.00 0.00 179.45 179.83 2fy1 n SER 47 N -4.66 -0.91 -3.32 0.86 2.88 -1.24 -5.01 113.62 102.22 2fy1 n SER 47 Ca 0.21 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.57 2fy1 n SER 47 Cb 0.51 -0.46 -0.07 0.00 -0.75 0.00 0.00 64.21 63.44 2fy1 n SER 47 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2fy1 s ARG 48 N -0.02 1.80 -0.10 -1.46 1.04 -1.26 -5.02 118.95 113.92 2fy1 s ARG 48 Ca 0.00 -1.95 -0.02 0.00 -1.04 0.00 0.00 55.73 52.72 2fy1 s ARG 48 Cb 0.00 0.36 0.04 0.00 -2.04 0.00 0.00 34.95 33.31 2fy1 s ARG 48 CO 0.00 -0.69 0.02 0.20 -0.04 0.00 0.00 175.30 174.79 2fy1 s GLY 49 N -3.34 0.51 -0.01 3.88 0.00 -1.21 -4.02 107.32 103.13 2fy1 s GLY 49 Ca 0.38 -0.25 0.01 0.00 0.00 0.00 0.00 44.72 44.86 2fy1 s GLY 49 CO 0.26 1.26 -0.05 -0.11 0.00 0.00 0.00 173.10 174.46 2fy1 s PHE 50 N 1.97 0.44 -0.13 1.90 -0.71 -0.65 -4.56 117.98 116.24 2fy1 s PHE 50 Ca 0.03 -0.08 -0.05 0.00 -1.04 0.00 0.00 56.93 55.79 2fy1 s PHE 50 Cb -0.14 -0.29 -0.04 0.00 -1.21 0.00 0.00 43.02 41.34 2fy1 s PHE 50 CO -0.06 -0.02 0.05 0.00 -1.34 0.00 0.00 175.22 173.85 2fy1 s ALA 51 N -0.05 3.42 -0.05 1.99 0.00 -0.58 0.31 121.76 126.81 2fy1 s ALA 51 Ca 0.01 -0.75 0.04 0.00 0.00 0.00 0.00 51.96 51.26 2fy1 s ALA 51 Cb -0.03 -1.74 -0.00 0.00 0.00 0.00 0.00 23.12 21.36 2fy1 s ALA 51 CO -0.00 0.42 -0.18 -0.06 0.00 0.00 0.00 175.76 175.94 2fy1 s PHE 52 N -0.38 1.80 -0.02 0.00 0.08 -0.07 -0.33 117.98 119.06 2fy1 s PHE 52 Ca 0.09 -0.53 0.02 0.00 0.12 0.00 0.00 56.93 56.63 2fy1 s PHE 52 Cb -0.12 -1.21 0.01 0.00 -0.57 0.00 0.00 43.02 41.13 2fy1 s PHE 52 CO 0.02 -0.18 -0.05 0.42 -0.10 0.00 0.00 175.22 175.33 2fy1 s ILE 53 N 0.04 0.48 -0.16 0.64 1.01 -0.12 -0.53 121.20 122.55 2fy1 s ILE 53 Ca -0.04 -0.19 -0.06 0.00 0.00 0.00 0.00 60.65 60.35 2fy1 s ILE 53 Cb -0.12 -0.45 -0.04 0.00 0.01 0.00 0.00 42.46 41.86 2fy1 s ILE 53 CO 0.02 0.17 0.05 -0.89 0.00 0.00 0.00 174.94 174.29 2fy1 s THR 54 N 0.28 4.69 -0.14 2.92 2.01 -0.29 -0.89 115.64 124.22 2fy1 s THR 54 Ca -0.03 -0.08 -0.05 0.00 0.31 0.00 0.00 61.69 61.84 2fy1 s THR 54 Cb -0.07 -3.08 -0.04 0.00 0.01 0.00 0.00 72.50 69.32 2fy1 s THR 54 CO -0.00 0.50 0.04 -0.36 -0.69 0.00 0.00 174.62 174.11 2fy1 s PHE 55 N 0.09 3.25 0.54 4.92 0.40 -0.43 -0.55 117.98 126.20 2fy1 s PHE 55 Ca 0.05 0.15 0.43 0.00 -0.60 0.00 0.00 56.93 56.95 2fy1 s PHE 55 Cb -0.12 -1.94 1.64 0.00 0.51 0.00 0.00 43.02 43.10 2fy1 s PHE 55 CO 0.01 0.34 1.68 0.93 0.70 0.00 0.00 175.22 178.87 2fy1 h GLU 56 N 5.89 0.01 -4.85 0.44 5.08 -1.89 -3.40 114.58 115.87 2fy1 h GLU 56 Ca -0.44 -0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 57.58 2fy1 h GLU 56 Cb 1.19 -0.00 -0.23 0.00 0.50 0.00 0.00 28.75 30.21 2fy1 h GLU 56 CO 0.62 0.01 -0.76 -0.80 -1.00 0.00 0.00 179.01 177.08 2fy1 s ASN 57 N -4.48 1.16 0.29 1.42 0.01 -1.26 -5.05 114.94 107.03 2fy1 s ASN 57 Ca -0.05 -0.51 0.01 0.00 -0.71 0.00 0.00 52.86 51.61 2fy1 s ASN 57 Cb 0.25 -0.02 0.46 0.00 0.41 0.00 0.00 41.25 42.35 2fy1 s ASN 57 CO 0.85 -0.11 1.80 1.55 -1.51 0.00 0.00 177.10 179.68 2fy1 h PRO 58 N 4.66 0.62 -0.90 -0.60 0.13 -1.85 -2.43 132.00 131.63 2fy1 h PRO 58 Ca -0.37 -0.17 0.08 0.00 -0.87 0.00 0.00 66.00 64.68 2fy1 h PRO 58 Cb 1.19 -0.07 -0.11 0.00 0.13 0.00 0.00 31.00 32.14 2fy1 h PRO 58 CO 0.42 0.68 -0.58 0.00 -0.23 0.00 0.00 178.00 178.29 2fy1 h ALA 59 N 1.37 -0.57 -0.56 -0.56 0.00 -1.95 -1.32 119.26 115.67 2fy1 h ALA 59 Ca 0.11 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 2fy1 h ALA 59 Cb 0.45 1.33 -0.03 0.00 0.00 0.00 0.00 17.79 19.54 2fy1 h ALA 59 CO 0.02 -0.98 0.26 -0.44 0.00 0.00 0.00 179.25 178.12 2fy1 h ASP 60 N -0.07 0.70 0.18 0.00 3.32 -1.74 0.11 116.42 118.92 2fy1 h ASP 60 Ca 0.15 -0.07 0.01 0.00 0.02 0.00 0.00 57.03 57.15 2fy1 h ASP 60 Cb 0.45 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.79 2fy1 h ASP 60 CO -0.88 0.60 -0.30 0.00 -1.72 0.00 0.00 179.24 176.94 2fy1 h ALA 61 N 1.51 -0.54 -0.68 3.45 0.00 -1.19 -0.63 119.26 121.18 2fy1 h ALA 61 Ca 0.19 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.12 2fy1 h ALA 61 Cb 0.09 0.46 -0.06 0.00 0.00 0.00 0.00 17.79 18.28 2fy1 h ALA 61 CO -0.03 -0.85 0.35 -0.22 0.00 0.00 0.00 179.25 178.50 2fy1 h LYS 62 N -0.55 0.61 0.33 0.00 3.64 -0.67 0.56 116.57 120.49 2fy1 h LYS 62 Ca 0.02 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2fy1 h LYS 62 Cb 0.55 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.21 2fy1 h LYS 62 CO -0.14 0.41 -0.38 -0.97 -2.27 0.00 0.00 179.45 176.10 2fy1 h ASN 63 N 0.63 -1.05 -0.91 4.20 -1.24 -0.66 0.13 115.58 116.70 2fy1 h ASN 63 Ca 0.32 0.10 0.11 0.00 0.71 0.00 0.00 56.30 57.53 2fy1 h ASN 63 Cb 0.27 0.36 -0.07 0.00 0.73 0.00 0.00 38.32 39.61 2fy1 h ASN 63 CO -0.22 -0.52 0.58 0.00 -1.29 0.00 0.00 177.43 175.99 2fy1 h ALA 64 N -0.32 1.67 0.55 1.57 0.00 -0.89 0.58 119.26 122.42 2fy1 h ALA 64 Ca -0.02 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2fy1 h ALA 64 Cb 0.69 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 2fy1 h ALA 64 CO -0.09 0.13 -0.51 0.00 0.00 0.00 0.00 179.25 178.77 2fy1 h ALA 65 N 1.56 -1.18 -0.90 0.00 0.00 -0.46 -1.14 119.26 117.15 2fy1 h ALA 65 Ca 0.43 -0.20 0.09 0.00 0.00 0.00 0.00 54.91 55.23 2fy1 h ALA 65 Cb 0.49 0.72 -0.07 0.00 0.00 0.00 0.00 17.79 18.93 2fy1 h ALA 65 CO -0.20 -1.20 0.55 -0.22 0.00 0.00 0.00 179.25 178.19 2fy1 h LYS 66 N -1.04 0.90 0.40 0.00 1.63 -0.32 -1.99 116.57 116.15 2fy1 h LYS 66 Ca -0.07 -0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 59.66 2fy1 h LYS 66 Cb 0.89 -0.20 -0.02 0.00 -0.60 0.00 0.00 32.23 32.30 2fy1 h LYS 66 CO -0.04 0.60 -0.39 0.22 -3.45 0.00 0.00 179.45 176.38 2fy1 h ASP 67 N 0.93 -1.06 0.00 4.20 1.82 -0.90 -3.43 116.42 117.97 2fy1 h ASP 67 Ca 0.43 0.08 0.00 0.00 -0.39 0.00 0.00 57.03 57.15 2fy1 h ASP 67 Cb 0.34 0.35 0.00 0.00 0.68 0.00 0.00 39.33 40.70 2fy1 h ASP 67 CO -0.23 -0.52 0.00 0.23 -1.61 0.00 0.00 179.24 177.11 2fy1 n MET 68 N -4.77 0.00 -0.93 0.28 2.81 -0.43 -4.82 117.12 109.26 2fy1 n MET 68 Ca -0.09 0.00 -0.04 0.00 -1.81 0.00 0.00 57.70 55.76 2fy1 n MET 68 Cb 0.36 -0.42 -0.02 0.00 -0.71 0.00 0.00 33.22 32.44 2fy1 n MET 68 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 2fy1 n ASN 69 N -0.24 -4.62 0.00 7.83 0.23 -0.99 -1.42 115.26 116.05 2fy1 n ASN 69 Ca 0.00 0.09 0.00 0.00 -0.53 0.00 0.00 54.58 54.14 2fy1 n ASN 69 Cb 0.00 -3.08 0.00 0.00 -2.08 0.00 0.00 39.78 34.62 2fy1 n ASN 69 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2fy1 n GLY 70 N 0.55 1.73 0.33 4.83 0.00 -0.89 -4.72 105.19 107.03 2fy1 n GLY 70 Ca -0.04 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.04 2fy1 n GLY 70 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2fy1 h LYS 71 N 0.00 0.83 0.00 1.61 1.63 -1.46 -3.44 116.57 115.74 2fy1 h LYS 71 Ca 0.00 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.75 2fy1 h LYS 71 Cb 0.00 -0.19 0.00 0.00 -0.60 0.00 0.00 32.23 31.44 2fy1 h LYS 71 CO 0.00 0.55 0.00 0.45 -3.45 0.00 0.00 179.45 177.00 2fy1 n SER 72 N -4.71 0.00 0.15 4.20 2.88 -1.26 -5.02 113.62 109.86 2fy1 n SER 72 Ca 0.17 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.71 2fy1 n SER 72 Cb 0.35 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.81 2fy1 n SER 72 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2fy1 n LEU 73 N 0.00 -2.24 0.00 2.46 4.77 -0.37 -4.95 117.00 116.67 2fy1 n LEU 73 Ca 0.00 0.57 0.00 0.00 -0.03 0.00 0.00 56.01 56.55 2fy1 n LEU 73 Cb 0.00 2.23 0.00 0.00 -2.33 0.00 0.00 43.42 43.32 2fy1 n LEU 73 CO 0.00 -0.14 0.00 0.00 -1.33 0.00 0.00 177.39 175.92 2fy1 n HIS 74 N -3.19 0.00 -0.32 -1.77 1.44 -1.26 -4.92 115.22 105.20 2fy1 n HIS 74 Ca 0.00 0.00 0.02 0.00 -2.01 0.00 0.00 57.72 55.73 2fy1 n HIS 74 Cb 0.00 0.00 0.16 0.00 0.12 0.00 0.00 29.99 30.27 2fy1 n HIS 74 CO 0.00 0.00 0.00 0.78 -2.81 0.00 0.00 176.34 174.31 2fy1 h GLY 75 N 0.00 1.38 0.00 -1.39 0.00 -1.98 -3.47 103.07 97.61 2fy1 h GLY 75 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 46.94 2fy1 h GLY 75 CO 0.00 0.24 0.00 1.17 0.00 0.00 0.00 176.54 177.95 2fy1 n LYS 76 N -4.62 0.00 -4.01 4.80 3.00 -1.26 -5.17 118.16 110.90 2fy1 n LYS 76 Ca 0.14 0.00 -0.22 0.00 -0.00 0.00 0.00 58.31 58.23 2fy1 n LYS 76 Cb 0.22 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.22 2fy1 n LYS 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2fy1 s ALA 77 N -1.00 3.84 -0.09 3.14 0.00 -1.26 -1.24 121.76 125.15 2fy1 s ALA 77 Ca 0.00 -1.24 -0.03 0.00 0.00 0.00 0.00 51.96 50.68 2fy1 s ALA 77 Cb 0.00 -1.62 -0.04 0.00 0.00 0.00 0.00 23.12 21.47 2fy1 s ALA 77 CO 0.00 0.30 0.05 0.96 0.00 0.00 0.00 175.76 177.07 2fy1 s ILE 78 N -1.97 4.71 -0.22 0.00 -4.36 -1.26 -4.80 121.20 113.31 2fy1 s ILE 78 Ca 0.34 -0.13 -0.08 0.00 -0.26 0.00 0.00 60.65 60.52 2fy1 s ILE 78 Cb -0.09 -3.02 -0.04 0.00 1.25 0.00 0.00 42.46 40.56 2fy1 s ILE 78 CO 0.28 0.58 0.07 -0.75 0.24 0.00 0.00 174.94 175.36 2fy1 s LYS 79 N -1.02 3.83 -0.21 0.37 2.36 -0.42 -2.09 119.74 122.56 2fy1 s LYS 79 Ca 0.15 -0.40 -0.02 0.00 -2.55 0.00 0.00 55.97 53.14 2fy1 s LYS 79 Cb -0.12 -3.29 0.00 0.00 -1.05 0.00 0.00 37.83 33.38 2fy1 s LYS 79 CO 0.04 0.04 -0.09 0.08 1.55 0.00 0.00 175.35 176.97 2fy1 s VAL 80 N 1.01 2.98 0.04 4.02 1.01 -1.26 -0.44 120.40 127.76 2fy1 s VAL 80 Ca 0.04 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 61.42 2fy1 s VAL 80 Cb -0.14 -2.33 -0.02 0.00 0.00 0.00 0.00 36.38 33.89 2fy1 s VAL 80 CO 0.03 0.46 -0.09 -0.70 0.00 0.00 0.00 175.10 174.80 2fy1 s GLU 81 N 1.41 0.56 -0.32 2.72 2.56 -0.59 -4.78 118.70 120.26 2fy1 s GLU 81 Ca 0.05 -0.76 -0.14 0.00 0.00 0.00 0.00 54.97 54.12 2fy1 s GLU 81 Cb -0.14 -0.37 -0.02 0.00 2.00 0.00 0.00 34.13 35.60 2fy1 s GLU 81 CO -0.06 0.07 0.32 -1.14 -0.56 0.00 0.00 175.26 173.89 2fy1 s GLN 82 N -1.55 3.67 0.89 4.30 0.74 -1.26 -0.39 119.66 126.07 2fy1 s GLN 82 Ca -0.09 -0.37 -0.12 0.00 0.05 0.00 0.00 55.36 54.84 2fy1 s GLN 82 Cb -0.10 -3.76 0.10 0.00 1.10 0.00 0.00 33.01 30.35 2fy1 s GLN 82 CO 0.01 -0.43 0.96 0.00 -0.55 0.00 0.00 175.29 175.28 2fy1 n ALA 83 N 5.29 -1.05 -3.09 1.58 0.00 -0.06 -4.90 120.51 118.28 2fy1 n ALA 83 Ca -0.10 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.84 2fy1 n ALA 83 Cb 0.50 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.85 2fy1 n ALA 83 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2fy1 n LYS 84 N -3.26 0.95 -1.73 0.00 3.00 -1.26 -4.89 118.16 110.97 2fy1 n LYS 84 Ca 0.11 0.00 -0.33 0.00 -0.00 0.00 0.00 58.31 58.09 2fy1 n LYS 84 Cb 0.52 0.00 0.05 0.00 0.00 0.00 0.00 35.03 35.60 2fy1 n LYS 84 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 2fy1 s LYS 85 N 0.04 2.71 0.00 1.64 1.02 -1.26 -4.97 119.74 118.92 2fy1 s LYS 85 Ca 0.00 1.48 0.30 0.00 0.02 0.00 0.00 55.97 57.78 2fy1 s LYS 85 Cb 0.00 -1.93 1.53 0.00 -0.52 0.00 0.00 37.83 36.91 2fy1 s LYS 85 CO 0.00 -1.34 2.03 -0.35 -0.92 0.00 0.00 175.35 174.77 2fy1 n PRO 86 N -2.39 0.87 -3.63 -1.68 -0.04 -1.26 -4.57 135.00 122.29 2fy1 n PRO 86 Ca 0.11 -0.18 -0.15 0.00 -0.04 0.00 0.00 63.50 63.24 2fy1 n PRO 86 Cb 0.52 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.41 2fy1 n PRO 86 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2fy1 s SER 87 N -2.26 -0.39 -1.24 3.54 0.15 -1.26 -4.94 113.70 107.30 2fy1 s SER 87 Ca 0.37 0.26 -0.11 0.00 0.70 0.00 0.00 55.95 57.17 2fy1 s SER 87 Cb 0.21 0.44 0.10 0.00 -1.71 0.00 0.00 66.02 65.05 2fy1 s SER 87 CO 0.42 -0.60 0.46 0.33 1.20 0.00 0.00 173.24 175.04 2fy1 n PHE 88 N 0.82 -1.70 -1.03 3.44 7.35 -1.26 -4.96 117.46 120.12 2fy1 n PHE 88 Ca -0.19 0.46 -0.29 0.00 -0.76 0.00 0.00 57.45 56.66 2fy1 n PHE 88 Cb 0.58 -2.47 0.17 0.00 0.35 0.00 0.00 39.48 38.11 2fy1 n PHE 88 CO 0.00 0.00 0.00 1.14 -0.76 0.00 0.00 176.76 177.14 2fy1 s GLN 89 N -6.14 0.68 0.29 -4.13 -2.07 -1.26 -4.99 119.66 102.03 2fy1 s GLN 89 Ca 0.44 0.84 -0.03 0.00 -1.82 0.00 0.00 55.36 54.79 2fy1 s GLN 89 Cb -0.24 -1.74 -0.01 0.00 -1.09 0.00 0.00 33.01 29.92 2fy1 s GLN 89 CO 0.54 -2.64 0.36 0.45 -1.32 0.00 0.00 175.29 172.68 2fy1 s SER 90 N -3.19 0.65 0.00 12.60 0.15 -1.26 -5.06 113.70 117.58 2fy1 s SER 90 Ca 0.65 -1.40 0.00 0.00 0.70 0.00 0.00 55.95 55.90 2fy1 s SER 90 Cb -0.20 0.56 0.00 0.00 -1.71 0.00 0.00 66.02 64.67 2fy1 s SER 90 CO 0.59 -1.11 0.00 0.61 1.20 0.00 0.00 173.24 174.52 2fy1 n GLY 91 N -0.46 -1.17 3.81 9.45 0.00 -1.26 -4.99 105.19 110.58 2fy1 n GLY 91 Ca 0.02 -0.87 -0.06 0.00 0.00 0.00 0.00 46.02 45.11 2fy1 n GLY 91 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2fy1 s GLY 92 N 0.00 -0.15 -0.04 -0.02 0.00 -1.26 -5.19 107.32 100.66 2fy1 s GLY 92 Ca 0.00 -0.16 -0.18 0.00 0.00 0.00 0.00 44.72 44.38 2fy1 s GLY 92 CO 0.00 -0.05 0.39 -1.60 0.00 0.00 0.00 173.10 171.84 2fy1 s ARG 93 N -3.76 0.73 -0.02 2.90 3.52 -1.26 -5.18 118.95 115.88 2fy1 s ARG 93 Ca 0.11 -0.03 -0.11 0.00 -0.13 0.00 0.00 55.73 55.57 2fy1 s ARG 93 Cb -0.05 0.33 0.01 0.00 -1.56 0.00 0.00 34.95 33.69 2fy1 s ARG 93 CO 0.05 -0.20 0.23 0.50 -0.81 0.00 0.00 175.30 175.07 2fy1 s ARG 94 N -1.14 0.54 -0.44 5.12 3.52 -1.26 -5.12 118.95 120.17 2fy1 s ARG 94 Ca -0.12 -0.22 0.06 0.00 -0.13 0.00 0.00 55.73 55.32 2fy1 s ARG 94 Cb -0.04 0.24 0.21 0.00 -1.56 0.00 0.00 34.95 33.79 2fy1 s ARG 94 CO 0.05 -0.14 0.45 -2.13 -0.81 0.00 0.00 175.30 172.72 2fy1 n ARG 95 N 1.54 0.68 -1.18 5.12 0.00 -1.26 -5.14 116.66 116.41 2fy1 n ARG 95 Ca -0.21 -3.40 -0.31 0.00 -0.00 0.00 0.00 57.85 53.94 2fy1 n ARG 95 Cb 0.56 -1.58 0.11 0.00 0.00 0.00 0.00 32.46 31.56 2fy1 n ARG 95 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 2fy1 s PRO 96 N -0.73 1.86 0.86 -0.14 0.04 -1.26 -5.04 135.00 130.59 2fy1 s PRO 96 Ca 0.34 1.11 -0.11 0.00 0.04 0.00 0.00 61.00 62.38 2fy1 s PRO 96 Cb 0.09 -1.86 0.11 0.00 0.04 0.00 0.00 34.50 32.89 2fy1 s PRO 96 CO -0.15 -1.91 1.09 -1.25 0.04 0.00 0.00 177.00 174.83 2fy1 s PRO 97 N -4.88 1.52 0.20 0.56 0.04 -1.26 -5.09 135.00 126.09 2fy1 s PRO 97 Ca 0.62 0.99 -0.09 0.00 0.04 0.00 0.00 61.00 62.56 2fy1 s PRO 97 Cb -0.18 -1.83 -0.01 0.00 0.04 0.00 0.00 34.50 32.52 2fy1 s PRO 97 CO 0.57 -2.10 0.34 0.00 0.04 0.00 0.00 177.00 175.84 2fy1 s ALA 98 N -2.89 0.08 0.05 8.56 0.00 -1.26 -5.19 121.76 121.10 2fy1 s ALA 98 Ca 0.63 -1.00 -0.02 0.00 0.00 0.00 0.00 51.96 51.57 2fy1 s ALA 98 Cb -0.18 1.02 -0.03 0.00 0.00 0.00 0.00 23.12 23.93 2fy1 s ALA 98 CO 0.57 -0.72 -0.00 -1.12 0.00 0.00 0.00 175.76 174.49 2fy1 s SER 99 N -3.01 0.40 0.32 0.00 0.01 -1.26 -5.18 113.70 104.98 2fy1 s SER 99 Ca 0.22 -0.87 -0.09 0.00 1.31 0.00 0.00 55.95 56.52 2fy1 s SER 99 Cb 0.02 0.20 0.01 0.00 0.21 0.00 0.00 66.02 66.47 2fy1 s SER 99 CO 0.05 -0.56 0.56 -0.55 0.41 0.00 0.00 173.24 173.15 2fy1 s SER 100 N -2.65 0.36 0.07 2.44 0.15 -1.26 -5.20 113.70 107.61 2fy1 s SER 100 Ca 0.03 -1.21 -0.12 0.00 0.70 0.00 0.00 55.95 55.35 2fy1 s SER 100 Cb 0.05 0.69 0.01 0.00 -1.71 0.00 0.00 66.02 65.06 2fy1 s SER 100 CO -0.08 -1.35 0.27 0.00 1.20 0.00 0.00 173.24 173.27 2fy1 s ARG 101 N -3.18 0.83 0.09 5.44 1.04 -1.26 -5.19 118.95 116.73 2fy1 s ARG 101 Ca 0.24 -0.68 -0.03 0.00 -1.04 0.00 0.00 55.73 54.22 2fy1 s ARG 101 Cb -0.02 0.35 -0.03 0.00 -2.04 0.00 0.00 34.95 33.22 2fy1 s ARG 101 CO 0.14 -0.27 0.08 0.54 -0.04 0.00 0.00 175.30 175.75 2fy1 s ASN 102 N -2.38 0.31 0.08 -2.89 2.20 -1.26 -5.19 114.94 105.81 2fy1 s ASN 102 Ca -0.01 -0.98 -0.13 0.00 -0.94 0.00 0.00 52.86 50.80 2fy1 s ASN 102 Cb 0.01 0.28 0.02 0.00 -2.00 0.00 0.00 41.25 39.56 2fy1 s ASN 102 CO -0.07 -0.70 0.29 -0.60 -2.94 0.00 0.00 177.10 173.09 2fy1 s ARG 103 N -3.95 0.88 -0.02 3.55 3.00 -1.26 -5.18 118.95 115.97 2fy1 s ARG 103 Ca 0.13 -0.70 0.04 0.00 -1.00 0.00 0.00 55.73 54.20 2fy1 s ARG 103 Cb 0.07 0.38 -0.01 0.00 0.00 0.00 0.00 34.95 35.39 2fy1 s ARG 103 CO -0.06 -0.30 -0.14 0.45 0.00 0.00 0.00 175.30 175.25 2fy1 s SER 104 N -2.50 1.70 0.29 -2.12 0.15 -1.26 -5.12 113.70 104.83 2fy1 s SER 104 Ca 0.00 -0.27 -0.30 0.00 0.70 0.00 0.00 55.95 56.09 2fy1 s SER 104 Cb 0.02 -0.32 -0.11 0.00 -1.71 0.00 0.00 66.02 63.90 2fy1 s SER 104 CO -0.08 0.15 1.56 -2.16 1.20 0.00 0.00 173.24 173.91 2fy1 s PRO 105 N -0.13 4.15 0.25 5.44 0.04 -1.26 -4.99 135.00 138.50 2fy1 s PRO 105 Ca 0.01 2.52 -0.22 0.00 0.04 0.00 0.00 61.00 63.36 2fy1 s PRO 105 Cb -0.08 -3.04 0.03 0.00 0.04 0.00 0.00 34.50 31.46 2fy1 s PRO 105 CO 0.00 -0.58 0.75 -1.54 0.04 0.00 0.00 177.00 175.67 2fy1 s SER 106 N 0.44 -0.27 0.07 6.66 1.04 -1.26 -5.20 113.70 115.18 2fy1 s SER 106 Ca 0.62 -0.52 -0.25 0.00 0.48 0.00 0.00 55.95 56.28 2fy1 s SER 106 Cb -0.47 0.67 0.08 0.00 0.10 0.00 0.00 66.02 66.41 2fy1 s SER 106 CO 0.48 -1.23 1.16 0.61 0.98 0.00 0.00 173.24 175.23 2fy1 n GLY 107 N -0.45 0.38 0.00 7.32 0.00 -1.26 -5.32 105.19 105.86 2fy1 n GLY 107 Ca -0.05 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.87 2fy1 n GLY 107 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06