#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 0.33 0.22 1.12 0.31 -1.26 -5.02 118.33 114.03 2fy1 n VAL 2 Ca 0.00 -4.31 0.18 0.00 -0.01 0.00 0.00 64.34 60.20 2fy1 n VAL 2 Cb 0.00 -0.14 0.81 0.00 -0.91 0.00 0.00 33.84 33.60 2fy1 n VAL 2 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2fy1 h GLU 3 N 2.99 0.00 -0.07 5.55 4.81 -2.04 -3.14 114.58 122.68 2fy1 h GLU 3 Ca 0.06 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.12 2fy1 h GLU 3 Cb 0.99 0.00 -0.27 0.00 0.63 0.00 0.00 28.75 30.10 2fy1 h GLU 3 CO 0.53 0.00 -0.69 0.00 -0.73 0.00 0.00 179.01 178.12 2fy1 n ALA 4 N -2.15 2.95 -2.32 2.92 0.00 -1.26 -4.84 120.51 115.81 2fy1 n ALA 4 Ca 0.02 -1.66 0.02 0.00 0.00 0.00 0.00 53.44 51.83 2fy1 n ALA 4 Cb 0.46 -0.64 0.01 0.00 0.00 0.00 0.00 19.45 19.27 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 -0.15 0.55 0.00 0.00 2.03 -1.19 -4.86 116.55 112.93 2fy1 n ASP 5 Ca -0.09 -1.97 0.00 0.00 0.52 0.00 0.00 54.79 53.25 2fy1 n ASP 5 Cb 0.90 -0.21 0.00 0.00 -0.72 0.00 0.00 41.12 41.09 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 0.32 0.00 -2.11 -0.67 -0.00 -1.25 -4.95 115.22 106.56 2fy1 n HIS 6 Ca 0.01 0.00 -0.42 0.00 0.46 0.00 0.00 57.72 57.77 2fy1 n HIS 6 Cb 0.98 0.00 -0.03 0.00 -0.12 0.00 0.00 29.99 30.83 2fy1 n HIS 6 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 2fy1 s PRO 7 N -1.00 3.32 -0.02 1.57 0.04 -1.26 -4.66 135.00 132.99 2fy1 s PRO 7 Ca 0.00 1.18 -0.05 0.00 0.04 0.00 0.00 61.00 62.17 2fy1 s PRO 7 Cb 0.00 -4.17 -0.23 0.00 0.04 0.00 0.00 34.50 30.13 2fy1 s PRO 7 CO 0.00 -1.88 3.46 0.41 0.04 0.00 0.00 177.00 179.03 2fy1 n GLY 8 N 5.36 3.01 3.07 0.56 0.00 -1.26 -4.85 105.19 111.08 2fy1 n GLY 8 Ca 0.21 -1.13 -0.25 0.00 0.00 0.00 0.00 46.02 44.84 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 0.81 1.73 -0.02 1.61 2.20 -1.26 -1.50 119.74 123.32 2fy1 s LYS 9 Ca 0.61 -0.50 0.02 0.00 -0.36 0.00 0.00 55.97 55.74 2fy1 s LYS 9 Cb 0.30 -1.46 0.01 0.00 -1.51 0.00 0.00 37.83 35.17 2fy1 s LYS 9 CO -0.01 0.12 -0.06 -0.51 -0.36 0.00 0.00 175.35 174.53 2fy1 s LEU 10 N 0.39 1.74 -0.21 5.43 1.02 -0.22 -1.13 118.68 125.70 2fy1 s LEU 10 Ca -0.10 -0.14 -0.07 0.00 0.02 0.00 0.00 54.13 53.84 2fy1 s LEU 10 Cb -0.14 -0.42 -0.04 0.00 0.02 0.00 0.00 46.19 45.62 2fy1 s LEU 10 CO 0.03 0.03 0.07 0.12 0.02 0.00 0.00 176.35 176.62 2fy1 s PHE 11 N 0.27 3.18 -0.11 0.29 5.36 0.25 -0.72 117.98 126.48 2fy1 s PHE 11 Ca -0.03 -0.10 -0.00 0.00 -0.96 0.00 0.00 56.93 55.84 2fy1 s PHE 11 Cb -0.08 -2.14 -0.02 0.00 -0.34 0.00 0.00 43.02 40.44 2fy1 s PHE 11 CO 0.00 -0.04 -0.11 0.42 -1.46 0.00 0.00 175.22 174.03 2fy1 s ILE 12 N 0.84 3.26 -0.19 3.12 1.09 0.95 -1.15 121.20 129.12 2fy1 s ILE 12 Ca 0.04 -0.60 -0.02 0.00 -1.10 0.00 0.00 60.65 58.96 2fy1 s ILE 12 Cb -0.14 -2.36 -0.01 0.00 -1.06 0.00 0.00 42.46 38.89 2fy1 s ILE 12 CO 0.02 0.54 -0.08 -0.83 -0.10 0.00 0.00 174.94 174.49 2fy1 s GLY 13 N 0.06 1.58 0.00 6.18 0.00 0.32 -1.58 107.32 113.88 2fy1 s GLY 13 Ca -0.04 -1.07 0.00 0.00 0.00 0.00 0.00 44.72 43.61 2fy1 s GLY 13 CO 0.04 0.21 0.00 0.61 0.00 0.00 0.00 173.10 173.96 2fy1 n GLY 14 N 4.33 -1.21 5.00 0.20 0.00 -1.26 -1.63 105.19 110.62 2fy1 n GLY 14 Ca -0.18 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 -1.31 0.99 7.99 -1.26 -4.67 117.00 118.74 2fy1 n LEU 15 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 2fy1 n LEU 15 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 2fy1 n LEU 15 CO 0.00 0.00 0.00 -3.20 -1.51 0.00 0.00 177.39 172.68 2fy1 n ASN 16 N 0.00 -0.34 -2.53 -1.43 5.15 -1.26 0.24 115.26 115.09 2fy1 n ASN 16 Ca 0.00 0.17 -0.11 0.00 -0.60 0.00 0.00 54.58 54.04 2fy1 n ASN 16 Cb 0.00 -0.54 -0.00 0.00 -0.53 0.00 0.00 39.78 38.71 2fy1 n ASN 16 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2fy1 n ARG 17 N -1.25 -2.46 0.03 1.20 3.00 -1.26 -4.85 116.66 111.08 2fy1 n ARG 17 Ca 0.00 0.48 -0.00 0.00 -0.01 0.00 0.00 57.85 58.32 2fy1 n ARG 17 Cb 0.17 -5.07 -0.00 0.00 0.00 0.00 0.00 32.46 27.56 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 -2.82 0.01 -3.82 5.56 4.07 0.14 -5.10 120.64 118.67 2fy1 n GLU 18 Ca -0.11 0.00 -0.25 0.00 -0.06 0.00 0.00 57.16 56.74 2fy1 n GLU 18 Cb 0.59 -0.51 -0.01 0.00 -0.06 0.00 0.00 31.44 31.44 2fy1 n GLU 18 CO 0.00 0.00 0.00 -0.08 -0.06 0.00 0.00 177.13 176.99 2fy1 s THR 19 N -2.01 1.89 0.00 6.31 -1.32 -0.91 -5.13 115.64 114.48 2fy1 s THR 19 Ca -0.00 -1.46 0.00 0.00 -1.21 0.00 0.00 61.69 59.01 2fy1 s THR 19 Cb 0.00 -2.36 0.00 0.00 -1.51 0.00 0.00 72.50 68.64 2fy1 s THR 19 CO 0.00 0.00 0.00 0.59 -2.21 0.00 0.00 174.62 173.00 2fy1 n ASN 20 N -1.70 0.00 0.16 8.08 4.13 -1.26 -4.84 115.26 119.83 2fy1 n ASN 20 Ca -0.00 0.00 0.06 0.00 1.68 0.00 0.00 54.58 56.32 2fy1 n ASN 20 Cb 0.64 0.00 0.34 0.00 -1.54 0.00 0.00 39.78 39.21 2fy1 n ASN 20 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 2fy1 n GLU 21 N 0.00 0.09 0.39 3.52 2.13 -1.26 0.26 120.64 125.77 2fy1 n GLU 21 Ca 0.00 0.56 -0.19 0.00 0.66 0.00 0.00 57.16 58.19 2fy1 n GLU 21 Cb 0.00 -2.10 -0.10 0.00 0.27 0.00 0.00 31.44 29.52 2fy1 n GLU 21 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 2fy1 h LYS 22 N 0.00 -1.10 -0.97 5.31 3.64 -2.00 -1.21 116.57 120.23 2fy1 h LYS 22 Ca 0.00 0.07 0.11 0.00 -1.27 0.00 0.00 60.65 59.57 2fy1 h LYS 22 Cb 0.64 0.25 -0.08 0.00 -0.41 0.00 0.00 32.23 32.63 2fy1 h LYS 22 CO 0.00 -0.73 0.62 0.00 -2.27 0.00 0.00 179.45 177.07 2fy1 h MET 23 N -1.14 0.94 0.00 1.90 -0.00 -0.58 -1.87 114.93 114.18 2fy1 h MET 23 Ca -0.10 -0.06 0.00 0.00 -0.00 0.00 0.00 59.70 59.55 2fy1 h MET 23 Cb 0.93 -0.21 0.00 0.00 -0.00 0.00 0.00 31.60 32.32 2fy1 h MET 23 CO 0.07 0.62 0.00 1.28 -0.00 0.00 0.00 176.91 178.88 2fy1 n LEU 24 N -4.58 0.00 -0.16 -0.10 7.99 -0.55 0.21 117.00 119.80 2fy1 n LEU 24 Ca 0.18 0.84 0.12 0.00 -0.01 0.00 0.00 56.01 57.14 2fy1 n LEU 24 Cb 0.34 -0.34 0.46 0.00 -0.11 0.00 0.00 43.42 43.77 2fy1 n LEU 24 CO 0.29 -0.34 1.21 0.11 -1.51 0.00 0.00 177.39 177.15 2fy1 h LYS 25 N 0.00 0.50 0.00 3.23 1.57 -1.36 -1.64 116.57 118.87 2fy1 h LYS 25 Ca 0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2fy1 h LYS 25 Cb 0.00 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.20 2fy1 h LYS 25 CO 0.00 0.33 0.00 0.00 -0.57 0.00 0.00 179.45 179.21 2fy1 n ALA 26 N -2.49 0.00 -0.11 3.86 0.00 -0.70 -0.74 120.51 120.32 2fy1 n ALA 26 Ca 0.13 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.48 2fy1 n ALA 26 Cb 0.42 0.06 -0.03 0.00 0.00 0.00 0.00 19.45 19.91 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 0.19 0.13 0.00 2.07 -0.08 -0.34 116.25 118.22 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 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 29.96 2fy1 h VAL 27 CO 0.00 0.00 -0.06 -0.26 0.02 0.00 0.00 177.57 177.27 2fy1 h PHE 28 N -0.30 -0.16 0.00 1.57 -1.00 -1.46 -3.15 116.94 112.45 2fy1 h PHE 28 Ca 0.15 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.93 2fy1 h PHE 28 Cb 0.56 0.05 0.00 0.00 3.61 0.00 0.00 35.95 40.17 2fy1 h PHE 28 CO -0.55 0.25 0.17 0.78 -1.61 0.00 0.00 178.31 177.35 2fy1 h GLY 29 N -0.63 0.00 -0.07 -1.45 0.00 -0.55 -3.12 103.07 97.26 2fy1 h GLY 29 Ca -0.02 0.00 0.24 0.00 0.00 0.00 0.00 47.33 47.55 2fy1 h GLY 29 CO 0.03 0.00 0.62 0.50 0.00 0.00 0.00 176.54 177.69 2fy1 h LYS 30 N 0.00 0.53 0.00 4.80 1.57 -1.02 -2.56 116.57 119.89 2fy1 h LYS 30 Ca 0.00 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2fy1 h LYS 30 Cb 0.35 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.53 2fy1 h LYS 30 CO 0.00 0.35 -0.10 0.72 -0.57 0.00 0.00 179.45 179.86 2fy1 n HIS 31 N -4.76 0.00 -3.88 -1.35 8.25 -1.18 -5.05 115.22 107.25 2fy1 n HIS 31 Ca 0.25 -0.87 0.03 0.00 -0.26 0.00 0.00 57.72 56.88 2fy1 n HIS 31 Cb 0.75 -0.14 0.01 0.00 1.12 0.00 0.00 29.99 31.73 2fy1 n HIS 31 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2fy1 s GLY 32 N -2.62 -0.26 0.36 -1.41 0.00 -0.97 -4.12 107.32 98.30 2fy1 s GLY 32 Ca 0.28 0.33 -0.25 0.00 0.00 0.00 0.00 44.72 45.07 2fy1 s GLY 32 CO 0.02 4.39 1.02 2.56 0.00 0.00 0.00 173.10 181.08 2fy1 s PRO 33 N -2.07 4.38 -0.21 2.90 0.04 -1.26 -4.27 135.00 134.51 2fy1 s PRO 33 Ca 0.26 1.48 -0.03 0.00 0.04 0.00 0.00 61.00 62.74 2fy1 s PRO 33 Cb 0.02 -2.71 0.07 0.00 0.04 0.00 0.00 34.50 31.91 2fy1 s PRO 33 CO -0.03 0.06 0.06 0.42 0.04 0.00 0.00 177.00 177.55 2fy1 s ILE 34 N -1.59 0.43 0.14 0.56 1.09 -1.26 -2.56 121.20 118.01 2fy1 s ILE 34 Ca 0.53 -0.62 0.05 0.00 -1.10 0.00 0.00 60.65 59.51 2fy1 s ILE 34 Cb -0.22 -1.04 -0.19 0.00 -1.06 0.00 0.00 42.46 39.96 2fy1 s ILE 34 CO 0.28 -0.32 1.32 -1.28 -0.10 0.00 0.00 174.94 174.84 2fy1 h SER 35 N 8.26 0.09 -5.02 3.58 0.87 -1.25 -3.45 113.55 116.63 2fy1 h SER 35 Ca -0.16 -0.09 -0.10 0.00 -1.23 0.00 0.00 61.79 60.21 2fy1 h SER 35 Cb 1.10 -0.03 -0.18 0.00 -0.44 0.00 0.00 62.40 62.85 2fy1 h SER 35 CO 0.36 0.99 -0.26 -1.61 -0.53 0.00 0.00 176.83 175.78 2fy1 s GLU 36 N -2.90 0.75 -0.02 2.24 2.02 -0.61 -5.02 118.70 115.16 2fy1 s GLU 36 Ca -0.01 -0.35 0.02 0.00 0.02 0.00 0.00 54.97 54.65 2fy1 s GLU 36 Cb 0.10 0.33 0.01 0.00 0.10 0.00 0.00 34.13 34.66 2fy1 s GLU 36 CO 0.82 -0.23 -0.06 0.08 0.02 0.00 0.00 175.26 175.90 2fy1 s VAL 37 N -1.98 0.54 -0.02 2.63 1.01 -1.26 -1.07 120.40 120.26 2fy1 s VAL 37 Ca -0.09 -0.22 0.01 0.00 0.00 0.00 0.00 61.98 61.69 2fy1 s VAL 37 Cb -0.03 -0.51 0.01 0.00 0.00 0.00 0.00 36.38 35.85 2fy1 s VAL 37 CO 0.00 0.19 -0.05 -0.22 0.00 0.00 0.00 175.10 175.02 2fy1 s LEU 38 N 0.34 1.71 -0.05 3.92 2.96 0.38 -5.02 118.68 122.93 2fy1 s LEU 38 Ca -0.04 -0.11 0.05 0.00 -0.22 0.00 0.00 54.13 53.81 2fy1 s LEU 38 Cb -0.08 -0.35 -0.01 0.00 0.50 0.00 0.00 46.19 46.25 2fy1 s LEU 38 CO 0.00 0.02 -0.19 -0.76 -1.32 0.00 0.00 176.35 174.10 2fy1 s LEU 39 N 0.30 1.96 -0.16 -0.68 2.01 -1.26 -0.51 118.68 120.34 2fy1 s LEU 39 Ca -0.03 -0.39 -0.06 0.00 0.01 0.00 0.00 54.13 53.65 2fy1 s LEU 39 Cb -0.07 -1.07 -0.04 0.00 0.01 0.00 0.00 46.19 45.02 2fy1 s LEU 39 CO -0.00 0.18 0.05 -0.63 1.01 0.00 0.00 176.35 176.95 2fy1 s ILE 40 N -0.02 4.66 0.00 -0.59 -1.09 0.13 -4.87 121.20 119.43 2fy1 s ILE 40 Ca -0.04 -0.09 0.00 0.00 -2.23 0.00 0.00 60.65 58.30 2fy1 s ILE 40 Cb -0.12 -3.06 0.00 0.00 -1.58 0.00 0.00 42.46 37.70 2fy1 s ILE 40 CO 0.03 0.51 0.00 0.29 -1.23 0.00 0.00 174.94 174.53 2fy1 n LYS 41 N 3.13 0.56 -3.59 2.79 5.02 -1.26 -1.61 118.16 123.20 2fy1 n LYS 41 Ca -0.17 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.00 2fy1 n LYS 41 Cb 0.53 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.48 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 -0.45 0.00 4.39 -4.77 -1.26 -4.84 116.67 110.74 2fy1 s ASP 42 Ca 0.00 0.63 0.00 0.00 -3.30 0.00 0.00 52.55 49.88 2fy1 s ASP 42 Cb 0.00 0.56 0.00 0.00 -1.09 0.00 0.00 42.92 42.39 2fy1 s ASP 42 CO 0.00 -0.32 0.00 -1.14 0.70 0.00 0.00 175.17 174.41 2fy1 n ARG 43 N 1.28 0.00 -0.44 2.11 0.63 -1.26 0.44 116.66 119.42 2fy1 n ARG 43 Ca -0.12 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.81 2fy1 n ARG 43 Cb 0.57 -3.29 0.00 0.00 0.45 0.00 0.00 32.46 30.19 2fy1 n ARG 43 CO 0.00 0.00 0.00 -2.37 -2.51 0.00 0.00 177.63 172.75 2fy1 n THR 44 N -1.44 0.00 0.00 5.15 5.66 -1.26 -4.79 114.28 117.60 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 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 2fy1 n THR 44 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 2fy1 n SER 45 N 0.00 0.00 -0.34 1.09 3.41 0.12 -4.98 113.62 112.92 2fy1 n SER 45 Ca 0.00 0.00 0.17 0.00 -0.26 0.00 0.00 58.87 58.78 2fy1 n SER 45 Cb 0.00 0.00 0.39 0.00 -0.26 0.00 0.00 64.21 64.34 2fy1 n SER 45 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2fy1 h LYS 46 N 0.00 0.57 -0.74 4.33 1.57 -0.32 -3.48 116.57 118.50 2fy1 h LYS 46 Ca 0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2fy1 h LYS 46 Cb 0.00 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.18 2fy1 h LYS 46 CO 0.00 0.38 0.00 0.45 -0.57 0.00 0.00 179.45 179.71 2fy1 n SER 47 N -4.82 -0.49 -3.37 0.86 2.88 -1.25 -5.01 113.62 102.43 2fy1 n SER 47 Ca 0.26 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.62 2fy1 n SER 47 Cb 0.73 -0.25 -0.04 0.00 -0.75 0.00 0.00 64.21 63.90 2fy1 n SER 47 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 2fy1 n ARG 48 N 0.03 1.06 -3.69 -1.46 1.85 -1.26 -5.02 116.66 108.17 2fy1 n ARG 48 Ca 0.00 -2.19 -0.24 0.00 -1.00 0.00 0.00 57.85 54.42 2fy1 n ARG 48 Cb 0.00 0.80 -0.17 0.00 -1.05 0.00 0.00 32.46 32.03 2fy1 n ARG 48 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 2fy1 s GLY 49 N -2.63 0.40 -0.01 2.89 0.00 -1.22 -4.45 107.32 102.29 2fy1 s GLY 49 Ca 0.05 -0.17 0.02 0.00 0.00 0.00 0.00 44.72 44.61 2fy1 s GLY 49 CO 0.03 1.42 -0.05 -0.11 0.00 0.00 0.00 173.10 174.39 2fy1 s PHE 50 N 2.06 0.52 -0.13 1.90 -0.71 -0.63 -4.62 117.98 116.36 2fy1 s PHE 50 Ca 0.03 -0.10 -0.05 0.00 -1.04 0.00 0.00 56.93 55.77 2fy1 s PHE 50 Cb -0.14 -0.37 -0.04 0.00 -1.21 0.00 0.00 43.02 41.27 2fy1 s PHE 50 CO -0.06 -0.04 0.05 0.00 -1.34 0.00 0.00 175.22 173.84 2fy1 s ALA 51 N 0.06 3.46 -0.07 1.99 0.00 -0.61 0.22 121.76 126.80 2fy1 s ALA 51 Ca -0.00 -0.74 0.01 0.00 0.00 0.00 0.00 51.96 51.23 2fy1 s ALA 51 Cb -0.04 -1.76 0.02 0.00 0.00 0.00 0.00 23.12 21.33 2fy1 s ALA 51 CO -0.00 0.43 -0.09 -0.06 0.00 0.00 0.00 175.76 176.04 2fy1 s PHE 52 N -0.39 1.23 -0.02 0.00 0.40 0.33 -0.04 117.98 119.49 2fy1 s PHE 52 Ca 0.09 -0.47 0.01 0.00 -0.60 0.00 0.00 56.93 55.97 2fy1 s PHE 52 Cb -0.12 -0.98 0.01 0.00 0.51 0.00 0.00 43.02 42.44 2fy1 s PHE 52 CO 0.02 -0.30 -0.05 0.42 0.70 0.00 0.00 175.22 176.01 2fy1 s ILE 53 N 0.99 0.47 -0.15 0.64 1.01 0.10 -0.47 121.20 123.79 2fy1 s ILE 53 Ca -0.09 -0.18 -0.05 0.00 0.00 0.00 0.00 60.65 60.33 2fy1 s ILE 53 Cb -0.15 -0.44 -0.03 0.00 0.01 0.00 0.00 42.46 41.85 2fy1 s ILE 53 CO 0.00 0.16 0.02 -0.89 0.00 0.00 0.00 174.94 174.24 2fy1 s THR 54 N 0.30 4.43 -0.12 2.92 2.01 -0.23 -1.06 115.64 123.90 2fy1 s THR 54 Ca -0.03 -0.17 -0.04 0.00 0.31 0.00 0.00 61.69 61.75 2fy1 s THR 54 Cb -0.07 -2.94 -0.04 0.00 0.01 0.00 0.00 72.50 69.46 2fy1 s THR 54 CO -0.00 0.52 0.05 -0.36 -0.69 0.00 0.00 174.62 174.13 2fy1 s PHE 55 N -0.03 3.28 0.34 4.92 0.40 -0.56 -0.80 117.98 125.53 2fy1 s PHE 55 Ca 0.04 0.22 0.15 0.00 -0.60 0.00 0.00 56.93 56.74 2fy1 s PHE 55 Cb -0.13 -1.90 1.12 0.00 0.51 0.00 0.00 43.02 42.62 2fy1 s PHE 55 CO 0.02 0.43 1.63 0.93 0.70 0.00 0.00 175.22 178.93 2fy1 h GLU 56 N 5.55 0.19 -5.17 0.44 4.39 -1.81 -3.39 114.58 114.78 2fy1 h GLU 56 Ca -0.48 -0.01 -0.39 0.00 0.34 0.00 0.00 59.36 58.82 2fy1 h GLU 56 Cb 1.19 -0.04 -0.22 0.00 -0.10 0.00 0.00 28.75 29.58 2fy1 h GLU 56 CO 0.59 0.13 -0.77 -0.80 -1.16 0.00 0.00 179.01 177.00 2fy1 s ASN 57 N -4.81 1.49 0.34 1.42 0.01 -1.26 -4.90 114.94 107.23 2fy1 s ASN 57 Ca -0.10 -0.56 0.04 0.00 -0.71 0.00 0.00 52.86 51.54 2fy1 s ASN 57 Cb 0.31 -0.04 0.62 0.00 0.41 0.00 0.00 41.25 42.54 2fy1 s ASN 57 CO 0.78 -0.08 1.89 1.55 -1.51 0.00 0.00 177.10 179.73 2fy1 h PRO 58 N 4.50 0.53 -0.98 -0.60 0.13 -1.83 -2.28 132.00 131.46 2fy1 h PRO 58 Ca -0.39 -0.11 0.10 0.00 -0.87 0.00 0.00 66.00 64.74 2fy1 h PRO 58 Cb 1.19 -0.08 -0.13 0.00 0.13 0.00 0.00 31.00 32.11 2fy1 h PRO 58 CO 0.41 0.54 -0.55 0.00 -0.23 0.00 0.00 178.00 178.18 2fy1 h ALA 59 N 1.52 -0.40 -0.79 -0.56 0.00 -1.93 -1.01 119.26 116.08 2fy1 h ALA 59 Ca 0.11 0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.20 2fy1 h ALA 59 Cb 0.31 1.29 -0.04 0.00 0.00 0.00 0.00 17.79 19.35 2fy1 h ALA 59 CO 0.01 -0.90 0.52 -0.44 0.00 0.00 0.00 179.25 178.44 2fy1 h ASP 60 N -0.01 0.85 -0.17 0.00 3.32 -1.74 0.39 116.42 119.06 2fy1 h ASP 60 Ca 0.20 -0.01 0.04 0.00 0.02 0.00 0.00 57.03 57.28 2fy1 h ASP 60 Cb 0.45 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.77 2fy1 h ASP 60 CO -0.94 0.58 -0.08 0.00 -1.72 0.00 0.00 179.24 177.08 2fy1 h ALA 61 N 1.53 0.07 -0.55 3.45 0.00 -1.22 -0.77 119.26 121.77 2fy1 h ALA 61 Ca 0.31 0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.36 2fy1 h ALA 61 Cb 0.03 0.20 -0.06 0.00 0.00 0.00 0.00 17.79 17.96 2fy1 h ALA 61 CO -0.09 -0.52 0.24 -0.22 0.00 0.00 0.00 179.25 178.67 2fy1 h LYS 62 N -0.06 0.44 0.44 0.00 1.63 -0.27 0.34 116.57 119.09 2fy1 h LYS 62 Ca 0.09 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.86 2fy1 h LYS 62 Cb 0.20 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 31.71 2fy1 h LYS 62 CO -0.21 0.29 -0.46 -0.97 -3.45 0.00 0.00 179.45 174.65 2fy1 h ASN 63 N 0.46 -1.27 -0.90 4.20 -1.24 -0.80 0.43 115.58 116.45 2fy1 h ASN 63 Ca 0.26 0.11 0.11 0.00 0.71 0.00 0.00 56.30 57.49 2fy1 h ASN 63 Cb 0.25 0.43 -0.07 0.00 0.73 0.00 0.00 38.32 39.66 2fy1 h ASN 63 CO -0.23 -0.61 0.58 0.00 -1.29 0.00 0.00 177.43 175.88 2fy1 h ALA 64 N -0.66 1.66 0.51 1.57 0.00 -0.83 0.72 119.26 122.23 2fy1 h ALA 64 Ca -0.05 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2fy1 h ALA 64 Cb 0.81 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2fy1 h ALA 64 CO -0.08 0.14 -0.49 0.00 0.00 0.00 0.00 179.25 178.82 2fy1 h ALA 65 N 1.56 -1.11 -0.68 0.00 0.00 -0.75 -1.25 119.26 117.04 2fy1 h ALA 65 Ca 0.43 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 55.23 2fy1 h ALA 65 Cb 0.48 0.70 -0.06 0.00 0.00 0.00 0.00 17.79 18.90 2fy1 h ALA 65 CO -0.19 -1.16 0.35 -0.22 0.00 0.00 0.00 179.25 178.03 2fy1 h LYS 66 N -0.99 0.61 0.44 0.00 3.64 -0.15 -2.23 116.57 117.88 2fy1 h LYS 66 Ca -0.06 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.27 2fy1 h LYS 66 Cb 0.86 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.53 2fy1 h LYS 66 CO -0.05 0.40 -0.44 0.22 -2.27 0.00 0.00 179.45 177.31 2fy1 h ASP 67 N 0.63 -1.21 0.00 4.20 3.58 -0.92 -3.43 116.42 119.27 2fy1 h ASP 67 Ca 0.32 0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.87 2fy1 h ASP 67 Cb 0.28 0.40 0.00 0.00 1.72 0.00 0.00 39.33 41.72 2fy1 h ASP 67 CO -0.23 -0.58 0.00 0.23 -2.88 0.00 0.00 179.24 175.78 2fy1 n MET 68 N -5.09 0.00 -0.33 0.28 2.81 -0.47 -4.88 117.12 109.45 2fy1 n MET 68 Ca -0.10 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.79 2fy1 n MET 68 Cb 0.40 -0.41 0.00 0.00 -0.71 0.00 0.00 33.22 32.50 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 -0.30 0.00 0.00 7.83 0.23 -1.08 -2.70 115.26 119.25 2fy1 n ASN 69 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 2fy1 n ASN 69 Cb 0.00 -1.66 0.00 0.00 -2.08 0.00 0.00 39.78 36.04 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 -1.02 0.00 2.15 4.83 0.00 -1.09 -4.57 105.19 105.49 2fy1 n GLY 70 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 2fy1 n GLY 70 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2fy1 n LYS 71 N 0.00 -0.47 -3.65 1.61 3.00 -1.10 -4.82 118.16 112.73 2fy1 n LYS 71 Ca 0.00 -1.25 -0.06 0.00 -0.00 0.00 0.00 58.31 57.01 2fy1 n LYS 71 Cb 0.00 -0.65 -0.07 0.00 0.00 0.00 0.00 35.03 34.31 2fy1 n LYS 71 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2fy1 s SER 72 N -3.58 -0.84 0.00 3.14 0.15 -1.26 -1.36 113.70 109.95 2fy1 s SER 72 Ca 0.41 1.36 0.00 0.00 0.70 0.00 0.00 55.95 58.41 2fy1 s SER 72 Cb -0.01 1.63 0.00 0.00 -1.71 0.00 0.00 66.02 65.92 2fy1 s SER 72 CO 0.28 -0.22 0.13 0.00 1.20 0.00 0.00 173.24 174.62 2fy1 n LEU 73 N 4.91 0.00 -0.11 3.45 -0.00 -1.26 -4.93 117.00 119.06 2fy1 n LEU 73 Ca -0.16 -0.14 0.00 0.00 -0.00 0.00 0.00 56.01 55.72 2fy1 n LEU 73 Cb 0.53 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.96 2fy1 n LEU 73 CO -0.01 0.20 0.29 0.00 -0.00 0.00 0.00 177.39 177.87 2fy1 n HIS 74 N 0.00 0.00 -0.99 1.47 1.44 -1.26 -4.97 115.22 110.92 2fy1 n HIS 74 Ca 0.00 -0.09 0.00 0.00 -2.01 0.00 0.00 57.72 55.62 2fy1 n HIS 74 Cb 0.39 -0.02 0.00 0.00 0.12 0.00 0.00 29.99 30.47 2fy1 n HIS 74 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2fy1 n GLY 75 N -0.11 0.50 3.18 -1.39 0.00 -1.26 -4.84 105.19 101.27 2fy1 n GLY 75 Ca 0.01 -0.09 0.04 0.00 0.00 0.00 0.00 46.02 45.97 2fy1 n GLY 75 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2fy1 s LYS 76 N -0.18 0.49 0.47 1.61 2.47 -1.26 -5.15 119.74 118.20 2fy1 s LYS 76 Ca 0.00 0.90 -0.20 0.00 -1.56 0.00 0.00 55.97 55.12 2fy1 s LYS 76 Cb 0.00 0.51 -0.13 0.00 -1.46 0.00 0.00 37.83 36.75 2fy1 s LYS 76 CO 0.00 -0.51 0.24 0.00 0.16 0.00 0.00 175.35 175.24 2fy1 n ALA 77 N 5.43 -2.23 -2.78 3.13 0.00 -1.26 -4.50 120.51 118.30 2fy1 n ALA 77 Ca -0.03 0.05 -0.35 0.00 0.00 0.00 0.00 53.44 53.11 2fy1 n ALA 77 Cb 0.51 -1.61 -0.09 0.00 0.00 0.00 0.00 19.45 18.27 2fy1 n ALA 77 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 2fy1 s ILE 78 N -1.73 4.71 -0.19 0.00 -4.36 -0.47 -4.71 121.20 114.45 2fy1 s ILE 78 Ca 0.62 -0.08 -0.07 0.00 -0.26 0.00 0.00 60.65 60.85 2fy1 s ILE 78 Cb -0.54 -3.04 -0.04 0.00 1.25 0.00 0.00 42.46 40.08 2fy1 s ILE 78 CO 0.61 0.56 0.05 -0.75 0.24 0.00 0.00 174.94 175.65 2fy1 s LYS 79 N -0.51 3.90 -0.17 0.37 2.36 -0.65 -2.69 119.74 122.36 2fy1 s LYS 79 Ca 0.10 -0.38 -0.01 0.00 -2.55 0.00 0.00 55.97 53.12 2fy1 s LYS 79 Cb -0.12 -3.20 -0.01 0.00 -1.05 0.00 0.00 37.83 33.45 2fy1 s LYS 79 CO 0.02 0.20 -0.10 0.08 1.55 0.00 0.00 175.35 177.10 2fy1 s VAL 80 N 0.56 3.07 0.03 4.02 1.01 -1.26 -0.52 120.40 127.32 2fy1 s VAL 80 Ca 0.03 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.41 2fy1 s VAL 80 Cb -0.13 -2.34 -0.02 0.00 0.00 0.00 0.00 36.38 33.89 2fy1 s VAL 80 CO 0.01 0.49 -0.08 -0.70 0.00 0.00 0.00 175.10 174.82 2fy1 s GLU 81 N 0.87 0.55 -0.36 2.72 2.56 -0.30 -4.80 118.70 119.94 2fy1 s GLU 81 Ca -0.03 -0.65 -0.14 0.00 0.00 0.00 0.00 54.97 54.15 2fy1 s GLU 81 Cb -0.15 -0.39 -0.00 0.00 2.00 0.00 0.00 34.13 35.59 2fy1 s GLU 81 CO 0.00 0.08 0.26 -1.14 -0.56 0.00 0.00 175.26 173.90 2fy1 s GLN 82 N -1.27 3.31 0.94 4.30 0.74 -1.26 -0.58 119.66 125.84 2fy1 s GLN 82 Ca -0.06 -0.78 -0.11 0.00 0.05 0.00 0.00 55.36 54.45 2fy1 s GLN 82 Cb -0.08 -3.87 0.09 0.00 1.10 0.00 0.00 33.01 30.25 2fy1 s GLN 82 CO 0.00 -0.55 0.75 0.00 -0.55 0.00 0.00 175.29 174.94 2fy1 n ALA 83 N 5.13 -1.79 -0.15 1.58 0.00 -0.28 -4.93 120.51 120.06 2fy1 n ALA 83 Ca -0.12 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.72 2fy1 n ALA 83 Cb 0.49 -1.98 0.00 0.00 0.00 0.00 0.00 19.45 17.95 2fy1 n ALA 83 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2fy1 n LYS 84 N -2.92 0.00 -3.49 0.00 4.76 -1.26 -4.96 118.16 110.29 2fy1 n LYS 84 Ca 0.09 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.40 2fy1 n LYS 84 Cb 0.53 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.68 2fy1 n LYS 84 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2fy1 s LYS 85 N -0.85 1.02 0.00 1.97 1.02 -1.26 -5.04 119.74 116.60 2fy1 s LYS 85 Ca 0.00 -0.11 0.25 0.00 0.02 0.00 0.00 55.97 56.13 2fy1 s LYS 85 Cb 0.00 0.48 0.42 0.00 -0.52 0.00 0.00 37.83 38.20 2fy1 s LYS 85 CO 0.00 -0.39 1.39 -0.35 -0.92 0.00 0.00 175.35 175.08 2fy1 n PRO 86 N 0.24 2.19 0.00 -1.68 -0.04 -1.26 -4.93 135.00 129.52 2fy1 n PRO 86 Ca -0.15 -1.74 0.00 0.00 -0.04 0.00 0.00 63.50 61.57 2fy1 n PRO 86 Cb 0.61 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 32.60 2fy1 n PRO 86 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2fy1 n SER 87 N 1.09 0.00 -3.84 3.54 2.88 -1.26 -5.10 113.62 110.93 2fy1 n SER 87 Ca 0.16 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.61 2fy1 n SER 87 Cb 0.54 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.93 2fy1 n SER 87 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 2fy1 s PHE 88 N 0.00 0.12 -0.06 0.66 5.36 -1.26 -5.17 117.98 117.63 2fy1 s PHE 88 Ca 0.00 -0.54 -0.03 0.00 -0.96 0.00 0.00 56.93 55.40 2fy1 s PHE 88 Cb 0.00 -0.03 0.04 0.00 -0.34 0.00 0.00 43.02 42.69 2fy1 s PHE 88 CO 0.00 -0.56 0.10 -1.14 -1.46 0.00 0.00 175.22 172.16 2fy1 s GLN 89 N -3.86 -0.03 0.27 10.12 2.00 -1.26 -5.04 119.66 121.86 2fy1 s GLN 89 Ca 0.05 0.44 -0.01 0.00 -2.00 0.00 0.00 55.36 53.84 2fy1 s GLN 89 Cb 0.05 -0.44 0.38 0.00 0.80 0.00 0.00 33.01 33.79 2fy1 s GLN 89 CO -0.11 -0.33 1.80 1.03 -0.50 0.00 0.00 175.29 177.18 2fy1 h SER 90 N 8.41 0.76 0.00 6.67 0.87 -2.05 -3.48 113.55 124.73 2fy1 h SER 90 Ca -0.12 -0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.28 2fy1 h SER 90 Cb 1.12 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.88 2fy1 h SER 90 CO 0.15 0.78 0.00 0.61 -0.53 0.00 0.00 176.83 177.84 2fy1 n GLY 91 N -0.76 -1.45 3.57 5.77 0.00 -1.26 -5.20 105.19 105.86 2fy1 n GLY 91 Ca 0.03 -1.01 0.03 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.46 -0.04 -0.02 0.00 -1.26 -5.19 107.32 100.35 2fy1 s GLY 92 Ca 0.00 1.01 -0.20 0.00 0.00 0.00 0.00 44.72 45.53 2fy1 s GLY 92 CO 0.00 0.21 0.44 -1.60 0.00 0.00 0.00 173.10 172.15 2fy1 s ARG 93 N -2.11 0.78 -0.03 2.90 3.00 -1.26 -5.18 118.95 117.06 2fy1 s ARG 93 Ca 0.14 0.03 -0.09 0.00 -1.00 0.00 0.00 55.73 54.81 2fy1 s ARG 93 Cb 0.06 0.36 0.01 0.00 0.00 0.00 0.00 34.95 35.38 2fy1 s ARG 93 CO -0.06 -0.22 0.20 0.50 0.00 0.00 0.00 175.30 175.73 2fy1 s ARG 94 N -1.14 0.45 0.92 5.12 3.52 -1.26 -5.16 118.95 121.41 2fy1 s ARG 94 Ca -0.12 -0.12 -0.11 0.00 -0.13 0.00 0.00 55.73 55.25 2fy1 s ARG 94 Cb -0.03 0.20 0.15 0.00 -1.56 0.00 0.00 34.95 33.70 2fy1 s ARG 94 CO 0.06 -0.10 1.11 -0.98 -0.81 0.00 0.00 175.30 174.58 2fy1 s ARG 95 N -0.89 0.97 0.69 5.12 1.70 -1.26 -5.02 118.95 120.26 2fy1 s ARG 95 Ca -0.10 1.31 -0.17 0.00 -0.47 0.00 0.00 55.73 56.30 2fy1 s ARG 95 Cb -0.05 -1.74 0.02 0.00 -0.57 0.00 0.00 34.95 32.60 2fy1 s ARG 95 CO 0.02 -2.59 1.25 -1.25 -1.08 0.00 0.00 175.30 171.66 2fy1 s PRO 96 N -4.69 2.32 0.00 3.89 0.04 -1.26 -4.88 135.00 130.42 2fy1 s PRO 96 Ca 0.66 1.93 0.00 0.00 0.04 0.00 0.00 61.00 63.63 2fy1 s PRO 96 Cb -0.22 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.49 2fy1 s PRO 96 CO 0.58 -1.74 1.34 -0.35 0.04 0.00 0.00 177.00 176.87 2fy1 n PRO 97 N -2.31 0.89 -1.61 0.56 -0.04 -1.26 -4.93 135.00 126.30 2fy1 n PRO 97 Ca 0.15 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.24 2fy1 n PRO 97 Cb 0.49 -1.06 0.07 0.00 -0.04 0.00 0.00 33.50 32.97 2fy1 n PRO 97 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2fy1 n ALA 98 N 1.07 0.65 -3.00 0.55 0.00 -1.26 -5.04 120.51 113.48 2fy1 n ALA 98 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2fy1 n ALA 98 Cb 0.44 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.65 2fy1 n ALA 98 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2fy1 n SER 99 N -1.73 0.00 -4.22 0.00 2.88 -1.26 -5.00 113.62 104.29 2fy1 n SER 99 Ca 0.15 -0.77 -0.13 0.00 -1.33 0.00 0.00 58.87 56.79 2fy1 n SER 99 Cb 0.48 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.84 2fy1 n SER 99 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2fy1 s SER 100 N -0.37 0.67 0.00 -3.46 0.15 -1.26 -5.09 113.70 104.34 2fy1 s SER 100 Ca 0.00 -1.29 0.08 0.00 0.70 0.00 0.00 55.95 55.44 2fy1 s SER 100 Cb 0.00 0.25 0.13 0.00 -1.71 0.00 0.00 66.02 64.69 2fy1 s SER 100 CO 0.00 -0.72 1.04 -1.14 1.20 0.00 0.00 173.24 173.61 2fy1 n ARG 101 N -0.26 0.00 -1.71 5.44 0.00 -1.26 -5.12 116.66 113.76 2fy1 n ARG 101 Ca -0.02 -1.27 -0.38 0.00 -0.00 0.00 0.00 57.85 56.18 2fy1 n ARG 101 Cb 0.65 -0.32 0.06 0.00 0.00 0.00 0.00 32.46 32.84 2fy1 n ARG 101 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 2fy1 n ASN 102 N 0.15 2.05 -3.70 6.15 5.15 -1.26 -5.05 115.26 118.75 2fy1 n ASN 102 Ca 0.01 0.89 -0.10 0.00 -0.60 0.00 0.00 54.58 54.78 2fy1 n ASN 102 Cb 0.83 -1.53 -0.05 0.00 -0.53 0.00 0.00 39.78 38.50 2fy1 n ASN 102 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 2fy1 s ARG 103 N -3.05 1.18 0.77 1.20 3.52 -1.26 -5.18 118.95 116.13 2fy1 s ARG 103 Ca 0.77 -0.81 -0.14 0.00 -0.13 0.00 0.00 55.73 55.43 2fy1 s ARG 103 Cb -0.40 0.48 0.06 0.00 -1.56 0.00 0.00 34.95 33.52 2fy1 s ARG 103 CO 0.45 -0.47 1.18 -1.54 -0.81 0.00 0.00 175.30 174.11 2fy1 s SER 104 N -2.84 3.99 0.78 -2.12 1.04 -1.26 -5.04 113.70 108.26 2fy1 s SER 104 Ca 0.06 2.27 -0.11 0.00 0.48 0.00 0.00 55.95 58.66 2fy1 s SER 104 Cb 0.01 -2.58 0.06 0.00 0.10 0.00 0.00 66.02 63.61 2fy1 s SER 104 CO -0.08 -2.39 1.08 -2.16 0.98 0.00 0.00 173.24 170.67 2fy1 s PRO 105 N -4.13 2.19 0.29 4.02 0.04 -1.26 -5.10 135.00 131.06 2fy1 s PRO 105 Ca 0.72 0.93 -0.13 0.00 0.04 0.00 0.00 61.00 62.56 2fy1 s PRO 105 Cb -0.27 -1.91 0.01 0.00 0.04 0.00 0.00 34.50 32.38 2fy1 s PRO 105 CO 0.48 -1.62 0.57 -1.54 0.04 0.00 0.00 177.00 174.94 2fy1 s SER 106 N -3.61 0.08 0.08 6.66 1.04 -1.26 -5.20 113.70 111.48 2fy1 s SER 106 Ca 0.61 -1.02 -0.27 0.00 0.48 0.00 0.00 55.95 55.75 2fy1 s SER 106 Cb -0.16 0.67 0.09 0.00 0.10 0.00 0.00 66.02 66.72 2fy1 s SER 106 CO 0.56 -1.30 1.14 -0.83 0.98 0.00 0.00 173.24 173.79 2fy1 s GLY 107 N -3.05 -0.21 0.00 7.32 0.00 -1.26 -5.33 107.32 104.79 2fy1 s GLY 107 Ca 0.21 0.22 0.00 0.00 0.00 0.00 0.00 44.72 45.14 2fy1 s GLY 107 CO 0.11 1.36 0.00 -1.14 0.00 0.00 0.00 173.10 173.43