#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 0.48 -2.85 3.17 3.14 -1.26 -4.92 118.33 116.09 2fy1 n VAL 2 Ca 0.00 0.07 -0.17 0.00 -2.96 0.00 0.00 64.34 61.29 2fy1 n VAL 2 Cb 0.00 -0.74 -0.00 0.00 -1.06 0.00 0.00 33.84 32.04 2fy1 n VAL 2 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2fy1 n GLU 3 N -1.65 -2.89 -0.13 1.45 1.02 -1.26 -4.87 120.64 112.31 2fy1 n GLU 3 Ca 0.05 0.54 0.00 0.00 -0.02 0.00 0.00 57.16 57.73 2fy1 n GLU 3 Cb 0.28 -5.20 0.00 0.00 -0.02 0.00 0.00 31.44 26.50 2fy1 n GLU 3 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2fy1 n ALA 4 N -2.84 0.00 -2.17 0.62 0.00 -1.26 -4.82 120.51 110.04 2fy1 n ALA 4 Ca -0.09 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.09 2fy1 n ALA 4 Cb 0.58 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.04 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 -0.10 5.02 -4.17 0.00 2.03 -1.26 -4.96 116.55 113.11 2fy1 n ASP 5 Ca 0.00 -3.74 -0.32 0.00 0.52 0.00 0.00 54.79 51.25 2fy1 n ASP 5 Cb 0.00 -0.43 -0.04 0.00 -0.72 0.00 0.00 41.12 39.93 2fy1 n ASP 5 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 2fy1 n HIS 6 N -0.62 -1.58 0.41 -0.67 8.25 -1.26 -4.70 115.22 115.05 2fy1 n HIS 6 Ca 0.43 0.74 0.13 0.00 -0.26 0.00 0.00 57.72 58.76 2fy1 n HIS 6 Cb 0.82 -3.13 0.44 0.00 1.12 0.00 0.00 29.99 29.24 2fy1 n HIS 6 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2fy1 h PRO 7 N -1.62 0.00 -0.42 -0.41 0.13 -1.89 -3.37 132.00 124.42 2fy1 h PRO 7 Ca -0.62 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.33 2fy1 h PRO 7 Cb 1.38 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.44 2fy1 h PRO 7 CO 0.72 0.00 -0.16 0.41 -0.23 0.00 0.00 178.00 178.74 2fy1 n GLY 8 N 0.65 0.93 2.93 1.56 0.00 -1.26 -0.93 105.19 109.07 2fy1 n GLY 8 Ca 0.03 -0.13 -0.18 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.54 0.61 0.02 1.61 2.20 -1.26 -0.57 119.74 119.82 2fy1 s LYS 9 Ca 0.00 -0.15 0.08 0.00 -0.36 0.00 0.00 55.97 55.53 2fy1 s LYS 9 Cb 0.00 -0.62 -0.02 0.00 -1.51 0.00 0.00 37.83 35.67 2fy1 s LYS 9 CO 0.00 0.03 -0.22 -0.51 -0.36 0.00 0.00 175.35 174.28 2fy1 s LEU 10 N 0.37 2.12 -0.16 5.43 1.02 -0.17 -1.12 118.68 126.17 2fy1 s LEU 10 Ca -0.04 -0.49 -0.07 0.00 0.02 0.00 0.00 54.13 53.55 2fy1 s LEU 10 Cb -0.08 -1.10 -0.04 0.00 0.02 0.00 0.00 46.19 44.98 2fy1 s LEU 10 CO -0.00 0.23 0.05 0.12 0.02 0.00 0.00 176.35 176.77 2fy1 s PHE 11 N -0.69 3.25 -0.07 0.29 5.36 0.19 -1.29 117.98 125.03 2fy1 s PHE 11 Ca 0.09 0.10 0.04 0.00 -0.96 0.00 0.00 56.93 56.20 2fy1 s PHE 11 Cb -0.09 -2.03 -0.00 0.00 -0.34 0.00 0.00 43.02 40.56 2fy1 s PHE 11 CO 0.01 0.22 -0.22 0.42 -1.46 0.00 0.00 175.22 174.19 2fy1 s ILE 12 N 0.12 1.84 -0.27 3.12 -1.09 0.58 -1.07 121.20 124.44 2fy1 s ILE 12 Ca 0.05 -0.92 -0.08 0.00 -2.23 0.00 0.00 60.65 57.46 2fy1 s ILE 12 Cb -0.12 -1.59 -0.02 0.00 -1.58 0.00 0.00 42.46 39.15 2fy1 s ILE 12 CO 0.01 0.51 0.11 -0.83 -1.23 0.00 0.00 174.94 173.51 2fy1 s GLY 13 N 0.18 1.82 0.00 6.18 0.00 -0.02 -1.79 107.32 113.69 2fy1 s GLY 13 Ca -0.12 -1.21 0.00 0.00 0.00 0.00 0.00 44.72 43.39 2fy1 s GLY 13 CO 0.06 0.60 0.00 0.61 0.00 0.00 0.00 173.10 174.37 2fy1 n GLY 14 N 4.96 -0.17 0.29 0.20 0.00 -1.26 -0.91 105.19 108.30 2fy1 n GLY 14 Ca -0.15 0.00 0.25 0.00 0.00 0.00 0.00 46.02 46.12 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 0.22 -1.59 0.99 7.99 -1.26 -4.74 117.00 118.61 2fy1 n LEU 15 Ca 0.00 1.50 -0.11 0.00 -0.01 0.00 0.00 56.01 57.39 2fy1 n LEU 15 Cb 0.00 -0.69 -0.04 0.00 -0.11 0.00 0.00 43.42 42.58 2fy1 n LEU 15 CO 0.00 -1.64 -0.11 -3.20 -1.51 0.00 0.00 177.39 170.92 2fy1 n ASN 16 N -5.09 -3.09 -1.09 -1.43 5.15 -1.26 0.17 115.26 108.62 2fy1 n ASN 16 Ca 0.31 0.26 -0.09 0.00 -0.60 0.00 0.00 54.58 54.46 2fy1 n ASN 16 Cb 1.06 -2.88 -0.04 0.00 -0.53 0.00 0.00 39.78 37.39 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 -1.98 -1.38 -0.07 1.20 3.00 -1.26 -4.80 116.66 111.36 2fy1 n ARG 17 Ca -0.12 0.59 -0.13 0.00 -0.01 0.00 0.00 57.85 58.19 2fy1 n ARG 17 Cb 0.42 -4.68 -0.06 0.00 0.00 0.00 0.00 32.46 28.14 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 -1.33 0.33 -3.26 5.56 2.13 0.13 -5.05 120.64 119.15 2fy1 n GLU 18 Ca -0.09 0.11 -0.21 0.00 0.66 0.00 0.00 57.16 57.62 2fy1 n GLU 18 Cb 0.35 -1.17 0.05 0.00 0.27 0.00 0.00 31.44 30.94 2fy1 n GLU 18 CO 0.00 0.00 0.00 -0.08 -0.41 0.00 0.00 177.13 176.64 2fy1 s THR 19 N -2.28 1.99 0.13 6.31 -1.32 0.03 -5.08 115.64 115.43 2fy1 s THR 19 Ca -0.20 -1.13 -0.00 0.00 -1.21 0.00 0.00 61.69 59.15 2fy1 s THR 19 Cb 0.06 -2.11 0.00 0.00 -1.51 0.00 0.00 72.50 68.94 2fy1 s THR 19 CO 0.30 0.00 0.18 0.59 -2.21 0.00 0.00 174.62 173.47 2fy1 n ASN 20 N -2.13 -0.50 -0.41 8.08 3.02 -1.26 -4.83 115.26 117.23 2fy1 n ASN 20 Ca 0.11 -1.72 0.36 0.00 -0.03 0.00 0.00 54.58 53.30 2fy1 n ASN 20 Cb 0.62 0.94 0.70 0.00 -0.61 0.00 0.00 39.78 41.43 2fy1 n ASN 20 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 2fy1 h GLU 21 N 0.00 0.09 0.33 3.52 4.81 -1.99 0.27 114.58 121.61 2fy1 h GLU 21 Ca -0.10 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.12 2fy1 h GLU 21 Cb 0.45 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.78 2fy1 h GLU 21 CO 0.14 0.06 -0.51 -0.22 -0.73 0.00 0.00 179.01 177.75 2fy1 h LYS 22 N 0.09 -0.86 -0.99 1.92 1.63 -2.00 -1.70 116.57 114.66 2fy1 h LYS 22 Ca 0.68 0.06 0.10 0.00 -0.85 0.00 0.00 60.65 60.64 2fy1 h LYS 22 Cb 2.44 0.19 -0.08 0.00 -0.60 0.00 0.00 32.23 34.18 2fy1 h LYS 22 CO -0.13 -0.57 0.63 0.00 -3.45 0.00 0.00 179.45 175.93 2fy1 h MET 23 N -0.89 1.01 0.31 1.90 -0.00 -0.91 -1.10 114.93 115.24 2fy1 h MET 23 Ca -0.03 -0.06 -0.01 0.00 -0.00 0.00 0.00 59.70 59.60 2fy1 h MET 23 Cb 0.82 -0.23 -0.02 0.00 -0.00 0.00 0.00 31.60 32.18 2fy1 h MET 23 CO -0.16 0.67 -0.34 -0.07 -0.00 0.00 0.00 176.91 177.00 2fy1 h LEU 24 N 1.04 -0.94 -1.40 -0.10 4.07 -0.61 0.33 115.31 117.70 2fy1 h LEU 24 Ca 0.47 0.08 0.12 0.00 0.08 0.00 0.00 57.88 58.63 2fy1 h LEU 24 Cb 0.39 0.31 -0.06 0.00 1.08 0.00 0.00 40.66 42.39 2fy1 h LEU 24 CO -0.23 -0.43 0.52 0.11 -1.08 0.00 0.00 178.44 177.33 2fy1 h LYS 25 N -0.65 0.61 0.00 1.13 1.57 -1.28 -1.65 116.57 116.31 2fy1 h LYS 25 Ca -0.04 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 2fy1 h LYS 25 Cb 0.57 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.74 2fy1 h LYS 25 CO -0.06 0.40 0.00 0.00 -0.57 0.00 0.00 179.45 179.23 2fy1 n ALA 26 N -2.46 -0.14 0.08 3.86 0.00 -0.42 -0.68 120.51 120.75 2fy1 n ALA 26 Ca 0.15 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.44 2fy1 n ALA 26 Cb 0.42 0.08 -0.07 0.00 0.00 0.00 0.00 19.45 19.87 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 0.14 0.15 0.00 2.07 -0.24 0.17 116.25 118.54 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 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 29.91 2fy1 h VAL 27 CO 0.00 0.00 -0.07 -0.26 0.02 0.00 0.00 177.57 177.26 2fy1 h PHE 28 N -0.62 -0.19 0.00 1.57 -1.00 -1.46 -2.77 116.94 112.47 2fy1 h PHE 28 Ca 0.03 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.81 2fy1 h PHE 28 Cb 0.68 0.06 0.00 0.00 3.61 0.00 0.00 35.95 40.30 2fy1 h PHE 28 CO -0.41 -0.02 0.16 0.41 -1.61 0.00 0.00 178.31 176.84 2fy1 n GLY 29 N -0.86 -0.73 0.33 -1.45 0.00 0.15 -2.44 105.19 100.18 2fy1 n GLY 29 Ca -0.09 0.16 0.17 0.00 0.00 0.00 0.00 46.02 46.26 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 0.44 0.00 1.61 1.79 -0.67 -3.20 116.57 116.54 2fy1 h LYS 30 Ca 0.00 -0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.43 2fy1 h LYS 30 Cb 0.31 -0.10 -0.03 0.00 -1.58 0.00 0.00 32.23 30.83 2fy1 h LYS 30 CO 0.00 0.29 -0.38 0.72 -1.08 0.00 0.00 179.45 179.00 2fy1 n HIS 31 N -4.99 0.00 -3.91 -1.35 8.25 -1.02 -5.04 115.22 107.16 2fy1 n HIS 31 Ca 0.25 -0.42 -0.11 0.00 -0.26 0.00 0.00 57.72 57.19 2fy1 n HIS 31 Cb 0.74 -0.10 -0.00 0.00 1.12 0.00 0.00 29.99 31.75 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 -1.78 0.70 -0.00 -1.41 0.00 -1.12 -3.86 107.32 99.85 2fy1 s GLY 32 Ca 0.14 -0.97 -0.00 0.00 0.00 0.00 0.00 44.72 43.89 2fy1 s GLY 32 CO -0.01 -0.53 0.47 -0.56 0.00 0.00 0.00 173.10 172.47 2fy1 h PRO 33 N 2.05 -0.02 -2.18 2.90 0.13 -1.89 -3.39 132.00 129.62 2fy1 h PRO 33 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 2fy1 h PRO 33 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2fy1 h PRO 33 CO 0.38 -0.01 0.00 -0.89 -0.23 0.00 0.00 178.00 177.25 2fy1 n ILE 34 N -2.08 -2.18 -0.04 -3.56 -0.00 -1.26 -4.86 119.36 105.38 2fy1 n ILE 34 Ca -0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 62.75 62.65 2fy1 n ILE 34 Cb 0.01 -2.78 -0.15 0.00 -0.00 0.00 0.00 39.64 36.72 2fy1 n ILE 34 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.55 176.31 2fy1 n SER 35 N 0.00 0.71 -3.91 4.38 2.88 -0.33 -4.90 113.62 112.45 2fy1 n SER 35 Ca 0.00 0.29 -0.11 0.00 -1.33 0.00 0.00 58.87 57.72 2fy1 n SER 35 Cb 0.00 0.18 -0.13 0.00 -0.75 0.00 0.00 64.21 63.51 2fy1 n SER 35 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 2fy1 s GLU 36 N -2.57 0.13 -0.04 -1.46 0.41 -0.68 -5.01 118.70 109.47 2fy1 s GLU 36 Ca -0.07 -0.22 0.01 0.00 -0.41 0.00 0.00 54.97 54.28 2fy1 s GLU 36 Cb 0.07 0.01 0.02 0.00 -1.78 0.00 0.00 34.13 32.46 2fy1 s GLU 36 CO 0.82 -0.01 -0.03 0.08 -0.49 0.00 0.00 175.26 175.63 2fy1 s VAL 37 N -0.50 0.45 -0.02 2.63 1.01 -1.26 -0.70 120.40 122.01 2fy1 s VAL 37 Ca -0.05 -0.07 0.02 0.00 0.00 0.00 0.00 61.98 61.88 2fy1 s VAL 37 Cb -0.03 -0.50 0.01 0.00 0.00 0.00 0.00 36.38 35.85 2fy1 s VAL 37 CO -0.00 0.21 -0.05 -0.22 0.00 0.00 0.00 175.10 175.04 2fy1 s LEU 38 N 0.99 1.71 -0.07 3.92 2.96 -0.01 -5.02 118.68 123.15 2fy1 s LEU 38 Ca -0.10 -0.11 0.05 0.00 -0.22 0.00 0.00 54.13 53.75 2fy1 s LEU 38 Cb -0.14 -0.36 -0.00 0.00 0.50 0.00 0.00 46.19 46.19 2fy1 s LEU 38 CO -0.01 0.02 -0.22 -0.76 -1.32 0.00 0.00 176.35 174.06 2fy1 s LEU 39 N 0.31 2.02 -0.14 -0.68 2.01 -1.26 -1.25 118.68 119.70 2fy1 s LEU 39 Ca -0.04 -0.49 -0.05 0.00 0.01 0.00 0.00 54.13 53.57 2fy1 s LEU 39 Cb -0.08 -1.28 -0.04 0.00 0.01 0.00 0.00 46.19 44.81 2fy1 s LEU 39 CO -0.00 0.18 0.04 -0.63 1.01 0.00 0.00 176.35 176.95 2fy1 s ILE 40 N 0.12 4.66 0.00 -0.59 -1.09 0.15 -4.84 121.20 119.60 2fy1 s ILE 40 Ca -0.10 -0.10 0.00 0.00 -2.23 0.00 0.00 60.65 58.22 2fy1 s ILE 40 Cb -0.15 -3.03 0.00 0.00 -1.58 0.00 0.00 42.46 37.70 2fy1 s ILE 40 CO 0.05 0.54 0.00 0.29 -1.23 0.00 0.00 174.94 174.60 2fy1 n LYS 41 N 2.78 0.37 -3.65 2.79 5.02 -1.26 -1.62 118.16 122.60 2fy1 n LYS 41 Ca -0.18 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.09 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 -0.01 0.00 4.39 -4.77 -1.26 -4.80 116.67 111.22 2fy1 s ASP 42 Ca 0.00 0.01 0.00 0.00 -3.30 0.00 0.00 52.55 49.26 2fy1 s ASP 42 Cb 0.00 0.01 0.00 0.00 -1.09 0.00 0.00 42.92 41.84 2fy1 s ASP 42 CO 0.00 -0.00 0.00 -1.14 0.70 0.00 0.00 175.17 174.73 2fy1 n ARG 43 N 1.08 -1.26 -1.21 2.11 0.63 -1.26 0.12 116.66 116.87 2fy1 n ARG 43 Ca -0.05 0.21 -0.07 0.00 -0.92 0.00 0.00 57.85 57.02 2fy1 n ARG 43 Cb 0.58 -3.88 -0.03 0.00 0.45 0.00 0.00 32.46 29.58 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 -1.23 0.00 0.00 5.15 5.66 -1.26 -4.59 114.28 118.01 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 0.21 -1.10 0.00 0.00 -1.55 0.00 0.00 70.33 67.89 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 -0.47 0.00 -0.16 1.09 2.88 0.12 -5.01 113.62 112.07 2fy1 n SER 45 Ca -0.07 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.54 2fy1 n SER 45 Cb 0.40 0.00 0.38 0.00 -0.75 0.00 0.00 64.21 64.24 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 0.67 -0.04 -1.46 1.79 -0.82 -3.49 116.57 113.22 2fy1 h LYS 46 Ca 0.00 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 2fy1 h LYS 46 Cb 0.00 -0.15 0.00 0.00 -1.58 0.00 0.00 32.23 30.50 2fy1 h LYS 46 CO 0.00 0.44 0.00 0.45 -1.08 0.00 0.00 179.45 179.26 2fy1 n SER 47 N -4.48 -0.03 -3.90 0.86 2.88 -1.26 -5.04 113.62 102.66 2fy1 n SER 47 Ca 0.10 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.45 2fy1 n SER 47 Cb 0.26 -0.01 -0.09 0.00 -0.75 0.00 0.00 64.21 63.61 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 -0.00 1.63 -0.15 -1.46 1.70 -1.26 -5.04 118.95 114.36 2fy1 s ARG 48 Ca 0.00 -1.93 -0.03 0.00 -0.47 0.00 0.00 55.73 53.30 2fy1 s ARG 48 Cb 0.00 -0.04 0.05 0.00 -0.57 0.00 0.00 34.95 34.39 2fy1 s ARG 48 CO 0.00 -0.49 0.04 0.20 -1.08 0.00 0.00 175.30 173.97 2fy1 s GLY 49 N -3.38 0.57 0.02 3.88 0.00 -1.17 -4.18 107.32 103.06 2fy1 s GLY 49 Ca 0.36 -0.45 0.02 0.00 0.00 0.00 0.00 44.72 44.64 2fy1 s GLY 49 CO 0.19 1.39 -0.07 -0.11 0.00 0.00 0.00 173.10 174.50 2fy1 s PHE 50 N 1.94 0.60 -0.12 1.90 -0.71 -0.64 -4.30 117.98 116.65 2fy1 s PHE 50 Ca 0.01 -0.30 -0.03 0.00 -1.04 0.00 0.00 56.93 55.57 2fy1 s PHE 50 Cb -0.15 -0.37 -0.03 0.00 -1.21 0.00 0.00 43.02 41.25 2fy1 s PHE 50 CO -0.07 -0.04 0.01 0.00 -1.34 0.00 0.00 175.22 173.77 2fy1 s ALA 51 N -0.77 3.26 -0.06 1.99 0.00 -0.74 0.29 121.76 125.74 2fy1 s ALA 51 Ca -0.04 -0.79 0.05 0.00 0.00 0.00 0.00 51.96 51.18 2fy1 s ALA 51 Cb -0.06 -1.59 -0.00 0.00 0.00 0.00 0.00 23.12 21.46 2fy1 s ALA 51 CO 0.00 0.42 -0.20 -0.06 0.00 0.00 0.00 175.76 175.92 2fy1 s PHE 52 N -0.36 2.05 -0.02 0.00 0.08 -0.38 -0.31 117.98 119.05 2fy1 s PHE 52 Ca 0.07 -0.66 0.02 0.00 0.12 0.00 0.00 56.93 56.48 2fy1 s PHE 52 Cb -0.12 -1.37 0.01 0.00 -0.57 0.00 0.00 43.02 40.96 2fy1 s PHE 52 CO 0.02 -0.23 -0.05 0.42 -0.10 0.00 0.00 175.22 175.27 2fy1 s ILE 53 N 0.08 0.48 -0.22 0.64 1.01 -0.41 -0.83 121.20 121.96 2fy1 s ILE 53 Ca -0.07 -0.19 -0.07 0.00 0.00 0.00 0.00 60.65 60.31 2fy1 s ILE 53 Cb -0.14 -0.45 -0.04 0.00 0.01 0.00 0.00 42.46 41.85 2fy1 s ILE 53 CO 0.04 0.17 0.07 -0.89 0.00 0.00 0.00 174.94 174.33 2fy1 s THR 54 N 0.28 4.58 -0.13 2.92 2.01 0.12 -0.99 115.64 124.42 2fy1 s THR 54 Ca -0.03 -0.09 -0.05 0.00 0.31 0.00 0.00 61.69 61.82 2fy1 s THR 54 Cb -0.07 -3.10 -0.04 0.00 0.01 0.00 0.00 72.50 69.30 2fy1 s THR 54 CO -0.00 0.40 0.05 -0.36 -0.69 0.00 0.00 174.62 174.01 2fy1 s PHE 55 N 0.99 3.27 0.55 4.92 0.40 0.27 -1.19 117.98 127.19 2fy1 s PHE 55 Ca 0.04 0.17 0.41 0.00 -0.60 0.00 0.00 56.93 56.96 2fy1 s PHE 55 Cb -0.14 -1.94 1.60 0.00 0.51 0.00 0.00 43.02 43.05 2fy1 s PHE 55 CO 0.03 0.36 1.70 0.93 0.70 0.00 0.00 175.22 178.94 2fy1 h GLU 56 N 5.83 0.00 -4.49 0.44 5.08 -1.90 -3.41 114.58 116.13 2fy1 h GLU 56 Ca -0.45 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 57.67 2fy1 h GLU 56 Cb 1.19 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 30.24 2fy1 h GLU 56 CO 0.62 0.00 -0.72 -0.80 -1.00 0.00 0.00 179.01 177.11 2fy1 s ASN 57 N -4.61 0.81 0.30 1.42 0.01 -1.26 -5.05 114.94 106.56 2fy1 s ASN 57 Ca -0.05 -0.66 0.01 0.00 -0.71 0.00 0.00 52.86 51.45 2fy1 s ASN 57 Cb 0.24 0.07 0.48 0.00 0.41 0.00 0.00 41.25 42.45 2fy1 s ASN 57 CO 0.82 -0.29 1.86 1.55 -1.51 0.00 0.00 177.10 179.53 2fy1 h PRO 58 N 4.15 0.75 -0.50 -0.60 0.13 -1.86 -2.46 132.00 131.61 2fy1 h PRO 58 Ca -0.35 -0.14 0.05 0.00 -0.87 0.00 0.00 66.00 64.69 2fy1 h PRO 58 Cb 1.19 -0.12 -0.07 0.00 0.13 0.00 0.00 31.00 32.13 2fy1 h PRO 58 CO 0.47 0.67 -0.44 0.00 -0.23 0.00 0.00 178.00 178.47 2fy1 h ALA 59 N 1.42 -0.57 -0.52 -0.56 0.00 -1.86 -1.13 119.26 116.03 2fy1 h ALA 59 Ca 0.16 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2fy1 h ALA 59 Cb 0.25 1.14 -0.03 0.00 0.00 0.00 0.00 17.79 19.15 2fy1 h ALA 59 CO -0.00 -0.82 0.32 -0.44 0.00 0.00 0.00 179.25 178.31 2fy1 h ASP 60 N -0.18 0.61 0.17 0.00 3.32 -1.79 0.11 116.42 118.66 2fy1 h ASP 60 Ca 0.08 -0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.12 2fy1 h ASP 60 Cb 0.40 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.76 2fy1 h ASP 60 CO -0.56 0.46 -0.31 0.00 -1.72 0.00 0.00 179.24 177.11 2fy1 h ALA 61 N 1.65 -0.56 -0.83 3.45 0.00 -1.01 -0.71 119.26 121.25 2fy1 h ALA 61 Ca 0.19 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.12 2fy1 h ALA 61 Cb -0.05 0.49 -0.07 0.00 0.00 0.00 0.00 17.79 18.16 2fy1 h ALA 61 CO -0.04 -0.86 0.49 -0.22 0.00 0.00 0.00 179.25 178.61 2fy1 h LYS 62 N -0.56 0.81 0.47 0.00 1.63 -0.62 0.27 116.57 118.58 2fy1 h LYS 62 Ca 0.02 -0.05 -0.02 0.00 -0.85 0.00 0.00 60.65 59.75 2fy1 h LYS 62 Cb 0.57 -0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 32.00 2fy1 h LYS 62 CO -0.15 0.54 -0.43 -0.97 -3.45 0.00 0.00 179.45 174.99 2fy1 h ASN 63 N 0.84 -1.16 -0.87 4.20 -0.73 -0.58 0.11 115.58 117.38 2fy1 h ASN 63 Ca 0.39 0.09 0.11 0.00 1.87 0.00 0.00 56.30 58.76 2fy1 h ASN 63 Cb 0.30 0.38 -0.07 0.00 0.27 0.00 0.00 38.32 39.20 2fy1 h ASN 63 CO -0.22 -0.58 0.56 0.00 -0.37 0.00 0.00 177.43 176.82 2fy1 h ALA 64 N -1.08 1.72 0.06 1.57 0.00 -0.95 -0.13 119.26 120.46 2fy1 h ALA 64 Ca -0.06 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 2fy1 h ALA 64 Cb 0.76 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 2fy1 h ALA 64 CO -0.03 0.08 -0.06 0.00 0.00 0.00 0.00 179.25 179.24 2fy1 h ALA 65 N 1.58 -0.81 -0.72 0.00 0.00 -0.72 -1.45 119.26 117.14 2fy1 h ALA 65 Ca 0.42 -0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.42 2fy1 h ALA 65 Cb 0.52 0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.56 2fy1 h ALA 65 CO -0.18 -0.81 0.48 -0.22 0.00 0.00 0.00 179.25 178.51 2fy1 h LYS 66 N -0.12 0.51 0.36 0.00 1.63 -0.51 0.13 116.57 118.58 2fy1 h LYS 66 Ca -0.01 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.75 2fy1 h LYS 66 Cb 0.10 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 31.60 2fy1 h LYS 66 CO -0.01 0.34 -0.34 0.22 -3.45 0.00 0.00 179.45 176.21 2fy1 h ASP 67 N 0.52 -0.92 0.00 4.20 3.58 -1.08 -3.43 116.42 119.29 2fy1 h ASP 67 Ca 0.34 0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.86 2fy1 h ASP 67 Cb 0.61 0.30 0.00 0.00 1.72 0.00 0.00 39.33 41.96 2fy1 h ASP 67 CO -0.11 -0.45 0.00 0.23 -2.88 0.00 0.00 179.24 176.02 2fy1 n MET 68 N -4.44 0.00 -4.09 0.28 2.81 -0.04 -4.91 117.12 106.73 2fy1 n MET 68 Ca -0.08 0.00 -0.35 0.00 -1.81 0.00 0.00 57.70 55.45 2fy1 n MET 68 Cb 0.31 -0.46 -0.03 0.00 -0.71 0.00 0.00 33.22 32.33 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 -0.33 -1.47 0.00 7.83 2.04 -0.75 -2.51 115.26 120.07 2fy1 n ASN 69 Ca 0.00 -1.16 0.00 0.00 -0.44 0.00 0.00 54.58 52.98 2fy1 n ASN 69 Cb 0.00 -1.41 0.00 0.00 -2.53 0.00 0.00 39.78 35.84 2fy1 n ASN 69 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2fy1 n GLY 70 N -2.20 1.80 2.20 4.83 0.00 -1.18 -4.88 105.19 105.77 2fy1 n GLY 70 Ca -0.19 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.99 -0.67 -3.65 1.61 3.00 -1.04 -4.90 118.16 111.52 2fy1 n LYS 71 Ca 0.00 -1.20 -0.07 0.00 -0.00 0.00 0.00 58.31 57.03 2fy1 n LYS 71 Cb 0.00 -0.75 -0.08 0.00 0.00 0.00 0.00 35.03 34.21 2fy1 n LYS 71 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 2fy1 s SER 72 N -3.74 -0.88 0.00 3.14 1.04 -1.26 -2.10 113.70 109.90 2fy1 s SER 72 Ca 0.43 1.41 0.00 0.00 0.48 0.00 0.00 55.95 58.26 2fy1 s SER 72 Cb -0.01 1.33 0.00 0.00 0.10 0.00 0.00 66.02 67.44 2fy1 s SER 72 CO 0.30 -0.23 0.00 0.00 0.98 0.00 0.00 173.24 174.29 2fy1 n LEU 73 N 4.38 0.00 0.17 2.42 -0.00 -1.26 -4.95 117.00 117.76 2fy1 n LEU 73 Ca -0.20 0.00 0.03 0.00 -0.00 0.00 0.00 56.01 55.83 2fy1 n LEU 73 Cb 0.58 0.00 0.38 0.00 -0.00 0.00 0.00 43.42 44.38 2fy1 n LEU 73 CO -0.00 0.00 0.79 1.12 -0.00 0.00 0.00 177.39 179.30 2fy1 h HIS 74 N 0.00 0.09 0.00 1.47 2.07 -1.94 -3.46 115.15 113.38 2fy1 h HIS 74 Ca 0.00 -0.01 0.00 0.00 -2.85 0.00 0.00 60.37 57.51 2fy1 h HIS 74 Cb 0.00 -0.02 0.00 0.00 2.57 0.00 0.00 27.41 29.96 2fy1 h HIS 74 CO 0.00 0.36 0.00 0.41 -3.07 0.00 0.00 177.93 175.63 2fy1 n GLY 75 N -0.64 1.24 1.91 6.13 0.00 -1.26 -4.61 105.19 107.96 2fy1 n GLY 75 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2fy1 n GLY 75 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2fy1 n LYS 76 N 0.00 0.00 0.00 1.61 5.02 -1.26 -5.17 118.16 118.35 2fy1 n LYS 76 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2fy1 n LYS 76 Cb 0.00 -0.04 0.00 0.00 -0.02 0.00 0.00 35.03 34.97 2fy1 n LYS 76 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2fy1 n ALA 77 N -2.95 0.00 -2.63 7.82 0.00 -1.26 -4.80 120.51 116.70 2fy1 n ALA 77 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 2fy1 n ALA 77 Cb 0.03 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.34 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 -2.00 1.12 -0.06 0.00 -4.36 -0.89 -4.69 121.20 110.31 2fy1 s ILE 78 Ca 0.00 -0.92 0.05 0.00 -0.26 0.00 0.00 60.65 59.52 2fy1 s ILE 78 Cb 0.00 -1.00 -0.01 0.00 1.25 0.00 0.00 42.46 42.70 2fy1 s ILE 78 CO 0.00 0.07 -0.23 -0.75 0.24 0.00 0.00 174.94 174.27 2fy1 s LYS 79 N -0.97 2.63 -0.14 0.37 2.36 -0.09 -3.11 119.74 120.79 2fy1 s LYS 79 Ca 0.03 -0.87 0.02 0.00 -2.55 0.00 0.00 55.97 52.60 2fy1 s LYS 79 Cb -0.07 -2.23 0.01 0.00 -1.05 0.00 0.00 37.83 34.49 2fy1 s LYS 79 CO 0.01 0.39 -0.22 0.08 1.55 0.00 0.00 175.35 177.16 2fy1 s VAL 80 N -0.16 2.03 0.08 4.02 1.01 -1.26 -0.84 120.40 125.27 2fy1 s VAL 80 Ca -0.03 -0.96 0.02 0.00 0.00 0.00 0.00 61.98 61.01 2fy1 s VAL 80 Cb -0.14 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 34.41 2fy1 s VAL 80 CO 0.04 0.54 -0.07 -0.70 0.00 0.00 0.00 175.10 174.91 2fy1 s GLU 81 N 0.82 0.74 -0.16 2.72 2.56 -0.23 -4.76 118.70 120.40 2fy1 s GLU 81 Ca -0.07 -1.14 -0.06 0.00 0.00 0.00 0.00 54.97 53.70 2fy1 s GLU 81 Cb -0.15 -0.26 -0.04 0.00 2.00 0.00 0.00 34.13 35.68 2fy1 s GLU 81 CO -0.02 0.01 0.06 -0.65 -0.56 0.00 0.00 175.26 174.10 2fy1 s GLN 82 N -3.04 3.74 0.77 4.30 1.11 -1.26 -0.64 119.66 124.65 2fy1 s GLN 82 Ca 0.04 -0.34 -0.13 0.00 0.01 0.00 0.00 55.36 54.95 2fy1 s GLN 82 Cb -0.00 -3.13 0.06 0.00 -1.01 0.00 0.00 33.01 28.93 2fy1 s GLN 82 CO -0.03 0.40 1.14 0.00 0.01 0.00 0.00 175.29 176.82 2fy1 s ALA 83 N -0.00 2.06 0.11 6.09 0.00 -0.27 -4.74 121.76 125.00 2fy1 s ALA 83 Ca 0.06 0.58 0.00 0.00 0.00 0.00 0.00 51.96 52.60 2fy1 s ALA 83 Cb -0.12 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.61 2fy1 s ALA 83 CO 0.01 -1.95 0.00 1.17 0.00 0.00 0.00 175.76 174.99 2fy1 n LYS 84 N -3.25 0.00 0.00 0.00 0.00 -1.26 -4.87 118.16 108.77 2fy1 n LYS 84 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.42 2fy1 n LYS 84 Cb 0.52 -0.23 0.00 0.00 0.00 0.00 0.00 35.03 35.31 2fy1 n LYS 84 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2fy1 n LYS 85 N -3.13 0.00 -2.80 1.64 5.02 -1.26 -5.13 118.16 112.49 2fy1 n LYS 85 Ca 0.00 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 55.98 2fy1 n LYS 85 Cb 0.11 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.09 2fy1 n LYS 85 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2fy1 s PRO 86 N -2.67 3.83 0.33 1.97 0.04 -1.26 -5.06 135.00 132.18 2fy1 s PRO 86 Ca 0.00 0.57 -0.28 0.00 0.04 0.00 0.00 61.00 61.33 2fy1 s PRO 86 Cb 0.00 -2.35 -0.09 0.00 0.04 0.00 0.00 34.50 32.10 2fy1 s PRO 86 CO 0.00 -0.06 1.15 -1.12 0.04 0.00 0.00 177.00 177.01 2fy1 s SER 87 N -3.07 6.97 -1.19 6.66 0.01 -1.26 -3.68 113.70 118.14 2fy1 s SER 87 Ca 0.53 2.34 0.00 0.00 1.31 0.00 0.00 55.95 60.13 2fy1 s SER 87 Cb -0.10 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.50 2fy1 s SER 87 CO 0.30 -0.36 0.00 0.33 0.41 0.00 0.00 173.24 173.92 2fy1 n PHE 88 N 0.76 -0.92 -4.13 2.43 7.35 -1.26 -4.91 117.46 116.78 2fy1 n PHE 88 Ca 0.01 0.00 -0.13 0.00 -0.76 0.00 0.00 57.45 56.57 2fy1 n PHE 88 Cb 0.45 -2.63 -0.07 0.00 0.35 0.00 0.00 39.48 37.59 2fy1 n PHE 88 CO 0.00 0.00 0.00 -0.65 -0.76 0.00 0.00 176.76 175.35 2fy1 s GLN 89 N -4.06 1.57 0.09 -4.13 -0.21 -1.24 -5.20 119.66 106.48 2fy1 s GLN 89 Ca 0.00 -1.62 -0.06 0.00 0.02 0.00 0.00 55.36 53.71 2fy1 s GLN 89 Cb 0.00 0.38 -0.02 0.00 1.00 0.00 0.00 33.01 34.37 2fy1 s GLN 89 CO 0.00 -0.60 0.12 -1.54 -2.12 0.00 0.00 175.29 171.15 2fy1 s SER 90 N -3.17 0.24 0.00 5.90 1.04 -1.26 -4.76 113.70 111.69 2fy1 s SER 90 Ca 0.32 -0.84 0.00 0.00 0.48 0.00 0.00 55.95 55.91 2fy1 s SER 90 Cb 0.02 0.30 0.00 0.00 0.10 0.00 0.00 66.02 66.45 2fy1 s SER 90 CO 0.16 -0.71 0.00 0.61 0.98 0.00 0.00 173.24 174.28 2fy1 n GLY 91 N -0.03 -2.48 0.83 7.32 0.00 -1.26 -5.00 105.19 104.57 2fy1 n GLY 91 Ca -0.13 -1.27 -0.05 0.00 0.00 0.00 0.00 46.02 44.58 2fy1 n GLY 91 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fy1 n GLY 92 N -0.72 0.41 2.22 -0.02 0.00 -1.26 -5.05 105.19 100.77 2fy1 n GLY 92 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 2fy1 n GLY 92 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2fy1 n ARG 93 N 0.00 2.22 -4.23 1.61 0.63 -1.26 -4.84 116.66 110.79 2fy1 n ARG 93 Ca -0.19 -1.26 -0.13 0.00 -0.92 0.00 0.00 57.85 55.35 2fy1 n ARG 93 Cb 0.59 -2.21 -0.10 0.00 0.45 0.00 0.00 32.46 31.19 2fy1 n ARG 93 CO 0.00 0.00 0.00 -0.98 -2.51 0.00 0.00 177.63 174.14 2fy1 s ARG 94 N 1.86 1.21 0.27 -0.14 1.04 -1.26 -5.06 118.95 116.87 2fy1 s ARG 94 Ca 0.57 -1.63 -0.06 0.00 -1.04 0.00 0.00 55.73 53.56 2fy1 s ARG 94 Cb 0.22 0.08 -0.06 0.00 -2.04 0.00 0.00 34.95 33.16 2fy1 s ARG 94 CO -0.02 -0.33 0.54 1.03 -0.04 0.00 0.00 175.30 176.48 2fy1 s ARG 95 N -4.09 3.67 0.81 3.89 0.52 -0.11 -5.05 118.95 118.60 2fy1 s ARG 95 Ca 0.35 0.06 -0.12 0.00 -0.52 0.00 0.00 55.73 55.50 2fy1 s ARG 95 Cb 0.07 -2.66 0.08 0.00 0.52 0.00 0.00 34.95 32.96 2fy1 s ARG 95 CO 0.10 0.25 1.14 -1.25 0.02 0.00 0.00 175.30 175.56 2fy1 s PRO 96 N -3.33 1.96 0.02 3.54 0.04 -1.26 -4.25 135.00 131.72 2fy1 s PRO 96 Ca 0.44 0.31 -0.38 0.00 0.04 0.00 0.00 61.00 61.42 2fy1 s PRO 96 Cb -0.11 -1.93 -0.17 0.00 0.04 0.00 0.00 34.50 32.32 2fy1 s PRO 96 CO 0.28 -1.63 1.32 -2.30 0.04 0.00 0.00 177.00 174.70 2fy1 n PRO 97 N -3.38 0.87 -3.89 0.56 -0.02 -1.26 -4.85 135.00 123.02 2fy1 n PRO 97 Ca 0.07 0.31 -0.08 0.00 -2.02 0.00 0.00 63.50 61.79 2fy1 n PRO 97 Cb 0.59 -1.93 -0.03 0.00 -0.02 0.00 0.00 33.50 32.12 2fy1 n PRO 97 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2fy1 s ALA 98 N 0.69 -0.94 -0.03 3.55 0.00 -1.26 -5.13 121.76 118.64 2fy1 s ALA 98 Ca 0.88 -0.48 -0.08 0.00 0.00 0.00 0.00 51.96 52.27 2fy1 s ALA 98 Cb -1.05 0.90 0.01 0.00 0.00 0.00 0.00 23.12 22.98 2fy1 s ALA 98 CO 0.51 -0.99 0.19 0.45 0.00 0.00 0.00 175.76 175.92 2fy1 s SER 99 N -2.95 -0.09 0.16 0.00 0.15 -1.26 -4.68 113.70 105.03 2fy1 s SER 99 Ca 0.14 0.06 -0.11 0.00 0.70 0.00 0.00 55.95 56.73 2fy1 s SER 99 Cb -0.05 0.30 0.04 0.00 -1.71 0.00 0.00 66.02 64.60 2fy1 s SER 99 CO 0.08 -0.27 0.56 -0.24 1.20 0.00 0.00 173.24 174.56 2fy1 n SER 100 N 1.97 -1.17 -3.77 5.45 2.88 -1.26 -4.99 113.62 112.74 2fy1 n SER 100 Ca -0.19 -1.70 -0.13 0.00 -1.33 0.00 0.00 58.87 55.52 2fy1 n SER 100 Cb 0.57 1.92 -0.09 0.00 -0.75 0.00 0.00 64.21 65.86 2fy1 n SER 100 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 2fy1 s ARG 101 N -2.04 0.66 -0.09 -1.46 3.52 -1.26 -4.79 118.95 113.49 2fy1 s ARG 101 Ca 0.12 -0.20 -0.02 0.00 -0.13 0.00 0.00 55.73 55.50 2fy1 s ARG 101 Cb -0.02 0.29 0.03 0.00 -1.56 0.00 0.00 34.95 33.69 2fy1 s ARG 101 CO 0.05 -0.18 0.03 1.21 -0.81 0.00 0.00 175.30 175.59 2fy1 s ASN 102 N -1.33 1.71 -0.06 -2.12 2.47 -1.26 -5.04 114.94 109.31 2fy1 s ASN 102 Ca -0.14 -0.18 -0.20 0.00 0.42 0.00 0.00 52.86 52.76 2fy1 s ASN 102 Cb -0.05 -0.38 0.04 0.00 -1.45 0.00 0.00 41.25 39.41 2fy1 s ASN 102 CO 0.04 -0.23 0.46 0.00 -3.72 0.00 0.00 177.10 173.65 2fy1 s ARG 103 N 2.01 0.77 0.35 0.43 1.04 -1.26 -5.09 118.95 117.21 2fy1 s ARG 103 Ca 0.04 0.11 -0.17 0.00 -1.04 0.00 0.00 55.73 54.67 2fy1 s ARG 103 Cb -0.13 0.36 -0.10 0.00 -2.04 0.00 0.00 34.95 33.04 2fy1 s ARG 103 CO -0.05 -0.21 0.81 -1.54 -0.04 0.00 0.00 175.30 174.26 2fy1 s SER 104 N -0.99 6.84 0.82 -2.89 1.04 -1.26 -5.09 113.70 112.17 2fy1 s SER 104 Ca -0.10 1.42 -0.11 0.00 0.48 0.00 0.00 55.95 57.64 2fy1 s SER 104 Cb -0.03 -2.43 0.09 0.00 0.10 0.00 0.00 66.02 63.74 2fy1 s SER 104 CO 0.05 -0.25 1.09 -2.16 0.98 0.00 0.00 173.24 172.96 2fy1 s PRO 105 N -3.01 1.86 0.12 4.02 0.04 -1.26 -5.10 135.00 131.68 2fy1 s PRO 105 Ca 0.56 0.83 -0.12 0.00 0.04 0.00 0.00 61.00 62.31 2fy1 s PRO 105 Cb -0.10 -1.88 0.01 0.00 0.04 0.00 0.00 34.50 32.58 2fy1 s PRO 105 CO 0.16 -1.83 0.31 -1.54 0.04 0.00 0.00 177.00 174.15 2fy1 s SER 106 N -3.61 -0.06 0.00 6.66 1.04 -1.26 -5.18 113.70 111.29 2fy1 s SER 106 Ca 0.62 -0.54 0.00 0.00 0.48 0.00 0.00 55.95 56.51 2fy1 s SER 106 Cb -0.16 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.38 2fy1 s SER 106 CO 0.56 -0.83 0.00 0.61 0.98 0.00 0.00 173.24 174.56 2fy1 n GLY 107 N -0.17 -2.02 0.00 7.32 0.00 -1.26 -5.36 105.19 103.69 2fy1 n GLY 107 Ca -0.14 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.71 2fy1 n GLY 107 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06