#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fy1 s VAL 2 N 0.00 0.09 -0.17 1.12 0.11 -1.26 -5.06 120.40 115.23 2fy1 s VAL 2 Ca 0.00 -0.75 0.01 0.00 -2.93 0.00 0.00 61.98 58.31 2fy1 s VAL 2 Cb 0.00 -0.97 0.23 0.00 -1.53 0.00 0.00 36.38 34.11 2fy1 s VAL 2 CO 0.00 -0.42 1.41 1.21 -3.33 0.00 0.00 175.10 173.97 2fy1 n GLU 3 N 0.51 1.47 -1.27 1.54 2.13 -1.26 -4.86 120.64 118.90 2fy1 n GLU 3 Ca -0.18 -1.11 0.00 0.00 0.66 0.00 0.00 57.16 56.53 2fy1 n GLU 3 Cb 0.60 -1.43 0.00 0.00 0.27 0.00 0.00 31.44 30.87 2fy1 n GLU 3 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2fy1 n ALA 4 N -0.02 0.00 0.63 4.31 0.00 -1.26 -5.04 120.51 119.13 2fy1 n ALA 4 Ca 0.22 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.69 2fy1 n ALA 4 Cb 0.89 0.00 0.13 0.00 0.00 0.00 0.00 19.45 20.47 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 -1.56 2.20 -3.63 0.00 2.03 -1.26 -4.93 116.55 109.40 2fy1 n ASP 5 Ca 0.00 -2.22 -0.27 0.00 0.52 0.00 0.00 54.79 52.82 2fy1 n ASP 5 Cb 0.00 -0.44 0.02 0.00 -0.72 0.00 0.00 41.12 39.98 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 0.21 -2.12 0.05 -0.67 -0.00 -1.26 -4.94 115.22 106.50 2fy1 n HIS 6 Ca 0.09 0.73 -0.09 0.00 -0.00 0.00 0.00 57.72 58.45 2fy1 n HIS 6 Cb 0.46 -3.78 0.05 0.00 -0.00 0.00 0.00 29.99 26.72 2fy1 n HIS 6 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 2fy1 h PRO 7 N -1.68 0.37 0.00 1.57 0.13 -1.91 -3.47 132.00 127.01 2fy1 h PRO 7 Ca -0.53 -0.29 0.00 0.00 -0.87 0.00 0.00 66.00 64.31 2fy1 h PRO 7 Cb 1.35 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.54 2fy1 h PRO 7 CO 0.62 0.93 0.00 0.41 -0.23 0.00 0.00 178.00 179.73 2fy1 n GLY 8 N 0.49 0.00 2.96 1.56 0.00 -1.26 -4.95 105.19 103.99 2fy1 n GLY 8 Ca -0.04 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.74 0.79 0.01 1.61 2.47 -1.26 -1.06 119.74 120.56 2fy1 s LYS 9 Ca 0.00 -0.22 0.06 0.00 -1.56 0.00 0.00 55.97 54.25 2fy1 s LYS 9 Cb 0.00 -0.76 -0.02 0.00 -1.46 0.00 0.00 37.83 35.59 2fy1 s LYS 9 CO 0.00 0.06 -0.19 -0.51 0.16 0.00 0.00 175.35 174.88 2fy1 s LEU 10 N 0.30 2.10 -0.23 5.43 1.02 0.00 -0.92 118.68 126.38 2fy1 s LEU 10 Ca -0.04 -0.41 -0.08 0.00 0.02 0.00 0.00 54.13 53.62 2fy1 s LEU 10 Cb -0.09 -0.91 -0.04 0.00 0.02 0.00 0.00 46.19 45.17 2fy1 s LEU 10 CO 0.00 0.18 0.09 0.12 0.02 0.00 0.00 176.35 176.76 2fy1 s PHE 11 N -0.61 3.16 -0.14 0.29 5.36 0.40 -0.67 117.98 125.77 2fy1 s PHE 11 Ca 0.07 -0.15 -0.02 0.00 -0.96 0.00 0.00 56.93 55.86 2fy1 s PHE 11 Cb -0.08 -2.20 -0.02 0.00 -0.34 0.00 0.00 43.02 40.38 2fy1 s PHE 11 CO 0.00 -0.13 -0.06 0.42 -1.46 0.00 0.00 175.22 173.99 2fy1 s ILE 12 N 1.16 3.68 -0.21 3.12 1.09 0.75 -1.51 121.20 129.29 2fy1 s ILE 12 Ca 0.05 -0.44 -0.04 0.00 -1.10 0.00 0.00 60.65 59.12 2fy1 s ILE 12 Cb -0.14 -2.59 -0.01 0.00 -1.06 0.00 0.00 42.46 38.66 2fy1 s ILE 12 CO 0.04 0.51 -0.04 -0.83 -0.10 0.00 0.00 174.94 174.52 2fy1 s GLY 13 N 0.25 1.63 0.00 6.18 0.00 0.07 -1.60 107.32 113.85 2fy1 s GLY 13 Ca -0.04 -1.09 0.00 0.00 0.00 0.00 0.00 44.72 43.59 2fy1 s GLY 13 CO 0.03 0.32 0.00 0.61 0.00 0.00 0.00 173.10 174.06 2fy1 n GLY 14 N 4.52 -1.31 4.90 0.20 0.00 -1.26 -1.53 105.19 110.71 2fy1 n GLY 14 Ca -0.18 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.35 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 -1.80 0.99 7.99 -1.26 -4.65 117.00 118.26 2fy1 n LEU 15 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 56.01 55.96 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 -0.05 -3.20 -1.51 0.00 0.00 177.39 172.63 2fy1 n ASN 16 N 0.12 -1.58 -3.68 -1.43 5.15 -1.26 -0.11 115.26 112.47 2fy1 n ASN 16 Ca 0.00 0.25 -0.28 0.00 -0.60 0.00 0.00 54.58 53.95 2fy1 n ASN 16 Cb 0.00 -1.61 -0.00 0.00 -0.53 0.00 0.00 39.78 37.64 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 -1.95 -3.82 0.04 1.20 3.00 -1.26 -4.82 116.66 109.05 2fy1 n ARG 17 Ca -0.05 0.48 0.00 0.00 -0.01 0.00 0.00 57.85 58.28 2fy1 n ARG 17 Cb 0.34 -5.24 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 -4.10 0.00 -4.22 5.56 2.13 0.85 -5.07 120.64 115.79 2fy1 n GLU 18 Ca 0.02 0.00 -0.26 0.00 0.66 0.00 0.00 57.16 57.58 2fy1 n GLU 18 Cb 0.53 -0.13 -0.07 0.00 0.27 0.00 0.00 31.44 32.03 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 -2.00 2.07 0.00 6.31 -1.32 -0.35 -5.13 115.64 115.22 2fy1 s THR 19 Ca 0.00 -1.74 0.00 0.00 -1.21 0.00 0.00 61.69 58.74 2fy1 s THR 19 Cb 0.00 -2.81 0.00 0.00 -1.51 0.00 0.00 72.50 68.18 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 -1.27 0.00 0.15 8.08 4.13 -1.26 -4.81 115.26 120.28 2fy1 n ASN 20 Ca -0.04 0.00 0.06 0.00 1.68 0.00 0.00 54.58 56.29 2fy1 n ASN 20 Cb 0.65 0.00 0.34 0.00 -1.54 0.00 0.00 39.78 39.23 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 0.08 0.42 3.52 2.13 -1.26 0.46 120.64 125.99 2fy1 n GLU 21 Ca 0.00 0.55 -0.19 0.00 0.66 0.00 0.00 57.16 58.18 2fy1 n GLU 21 Cb 0.00 -2.05 -0.10 0.00 0.27 0.00 0.00 31.44 29.56 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 -1.12 -0.99 5.31 1.63 -1.98 -1.50 116.57 117.91 2fy1 h LYS 22 Ca 0.00 0.08 0.11 0.00 -0.85 0.00 0.00 60.65 59.99 2fy1 h LYS 22 Cb 0.55 0.25 -0.08 0.00 -0.60 0.00 0.00 32.23 32.36 2fy1 h LYS 22 CO 0.00 -0.75 0.63 0.00 -3.45 0.00 0.00 179.45 175.88 2fy1 h MET 23 N -1.16 0.98 0.00 1.90 -0.00 -0.38 -1.74 114.93 114.52 2fy1 h MET 23 Ca -0.10 -0.06 0.00 0.00 -0.00 0.00 0.00 59.70 59.54 2fy1 h MET 23 Cb 0.94 -0.22 0.00 0.00 -0.00 0.00 0.00 31.60 32.31 2fy1 h MET 23 CO 0.10 0.65 0.00 1.28 -0.00 0.00 0.00 176.91 178.94 2fy1 n LEU 24 N -4.59 0.00 -0.09 -0.10 7.99 -0.69 0.05 117.00 119.58 2fy1 n LEU 24 Ca 0.18 0.83 0.15 0.00 -0.01 0.00 0.00 56.01 57.17 2fy1 n LEU 24 Cb 0.33 -0.33 0.55 0.00 -0.11 0.00 0.00 43.42 43.85 2fy1 n LEU 24 CO 0.29 -0.33 1.19 0.11 -1.51 0.00 0.00 177.39 177.14 2fy1 h LYS 25 N 0.00 0.30 0.00 3.23 1.57 -1.36 -1.63 116.57 118.68 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 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.24 2fy1 h LYS 25 CO 0.00 0.20 0.00 0.00 -0.57 0.00 0.00 179.45 179.08 2fy1 n ALA 26 N -2.55 -0.02 -0.01 3.86 0.00 -0.66 -0.61 120.51 120.52 2fy1 n ALA 26 Ca 0.11 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.46 2fy1 n ALA 26 Cb 0.49 0.09 -0.03 0.00 0.00 0.00 0.00 19.45 20.00 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 0.37 0.11 0.00 2.07 -0.09 -0.03 116.25 118.68 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 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.14 2fy1 h VAL 27 CO 0.00 0.00 -0.05 -0.26 0.02 0.00 0.00 177.57 177.28 2fy1 h PHE 28 N -0.32 -0.13 0.00 1.57 -1.00 -1.46 -3.19 116.94 112.40 2fy1 h PHE 28 Ca 0.11 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.89 2fy1 h PHE 28 Cb 0.48 0.04 0.00 0.00 3.61 0.00 0.00 35.95 40.09 2fy1 h PHE 28 CO -0.37 0.35 0.15 0.41 -1.61 0.00 0.00 178.31 177.24 2fy1 n GLY 29 N 0.45 -0.74 0.32 -1.45 0.00 0.22 -2.96 105.19 101.04 2fy1 n GLY 29 Ca -0.08 0.16 0.15 0.00 0.00 0.00 0.00 46.02 46.25 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 0.43 0.00 1.61 1.57 -0.99 -3.08 116.57 116.11 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 0.30 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.52 2fy1 h LYS 30 CO 0.00 0.29 -0.20 0.72 -0.57 0.00 0.00 179.45 179.69 2fy1 n HIS 31 N -5.00 0.00 -3.91 -1.35 8.25 -1.16 -5.06 115.22 107.00 2fy1 n HIS 31 Ca 0.24 -0.57 -0.11 0.00 -0.26 0.00 0.00 57.72 57.02 2fy1 n HIS 31 Cb 0.70 -0.11 -0.00 0.00 1.12 0.00 0.00 29.99 31.71 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 -2.04 0.72 -0.00 -1.41 0.00 -1.17 -4.16 107.32 99.27 2fy1 s GLY 32 Ca 0.18 -0.99 -0.01 0.00 0.00 0.00 0.00 44.72 43.90 2fy1 s GLY 32 CO 0.02 -0.53 0.33 -0.56 0.00 0.00 0.00 173.10 172.35 2fy1 h PRO 33 N 2.04 -0.03 -1.27 2.90 0.13 -1.89 -3.38 132.00 130.50 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 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2fy1 h PRO 33 CO 0.39 -0.02 0.00 -0.89 -0.23 0.00 0.00 178.00 177.25 2fy1 n ILE 34 N -2.24 -1.27 0.74 -3.56 -0.00 -1.26 -4.87 119.36 106.90 2fy1 n ILE 34 Ca -0.00 0.00 0.08 0.00 -0.00 0.00 0.00 62.75 62.82 2fy1 n ILE 34 Cb 0.01 -1.63 -0.06 0.00 -0.00 0.00 0.00 39.64 37.97 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 1.09 -3.50 4.38 3.41 0.39 -4.86 113.62 114.54 2fy1 n SER 35 Ca 0.00 -1.05 -0.15 0.00 -0.26 0.00 0.00 58.87 57.42 2fy1 n SER 35 Cb 0.00 0.80 -0.04 0.00 -0.26 0.00 0.00 64.21 64.70 2fy1 n SER 35 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2fy1 s GLU 36 N -2.28 1.13 -0.02 4.33 -6.30 -0.53 -4.99 118.70 110.05 2fy1 s GLU 36 Ca 0.09 -0.15 0.01 0.00 -2.50 0.00 0.00 54.97 52.42 2fy1 s GLU 36 Cb 0.12 0.53 0.01 0.00 0.00 0.00 0.00 34.13 34.79 2fy1 s GLU 36 CO 0.56 -0.43 -0.05 0.08 0.02 0.00 0.00 175.26 175.44 2fy1 s VAL 37 N -2.50 0.48 -0.02 3.70 1.01 -1.26 -0.64 120.40 121.17 2fy1 s VAL 37 Ca -0.05 -0.18 0.02 0.00 0.00 0.00 0.00 61.98 61.77 2fy1 s VAL 37 Cb -0.01 -0.45 0.01 0.00 0.00 0.00 0.00 36.38 35.93 2fy1 s VAL 37 CO -0.02 0.17 -0.05 -0.22 0.00 0.00 0.00 175.10 174.98 2fy1 s LEU 38 N 0.36 1.73 -0.02 3.92 0.20 -0.13 -4.83 118.68 119.90 2fy1 s LEU 38 Ca -0.04 -0.11 0.02 0.00 0.69 0.00 0.00 54.13 54.68 2fy1 s LEU 38 Cb -0.08 -0.35 0.01 0.00 -0.43 0.00 0.00 46.19 45.34 2fy1 s LEU 38 CO -0.00 0.02 -0.06 -0.76 -0.29 0.00 0.00 176.35 175.26 2fy1 s LEU 39 N 0.28 1.71 -0.14 -0.68 2.01 -1.25 -0.47 118.68 120.14 2fy1 s LEU 39 Ca -0.03 -0.12 -0.05 0.00 0.01 0.00 0.00 54.13 53.93 2fy1 s LEU 39 Cb -0.07 -0.39 -0.04 0.00 0.01 0.00 0.00 46.19 45.70 2fy1 s LEU 39 CO -0.00 0.02 0.05 -0.63 1.01 0.00 0.00 176.35 176.80 2fy1 s ILE 40 N 0.31 4.68 0.00 -0.59 -1.09 0.15 -3.96 121.20 120.70 2fy1 s ILE 40 Ca -0.04 -0.09 0.00 0.00 -2.23 0.00 0.00 60.65 58.29 2fy1 s ILE 40 Cb -0.08 -3.05 0.00 0.00 -1.58 0.00 0.00 42.46 37.75 2fy1 s ILE 40 CO -0.00 0.53 0.00 0.29 -1.23 0.00 0.00 174.94 174.53 2fy1 n LYS 41 N 2.91 1.15 -3.63 2.79 5.02 -1.26 -1.67 118.16 123.47 2fy1 n LYS 41 Ca -0.18 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.04 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 -0.32 0.00 4.39 -4.77 -1.26 -4.84 116.67 110.87 2fy1 s ASP 42 Ca 0.00 0.54 0.00 0.00 -3.30 0.00 0.00 52.55 49.79 2fy1 s ASP 42 Cb 0.00 0.52 0.00 0.00 -1.09 0.00 0.00 42.92 42.35 2fy1 s ASP 42 CO 0.00 -0.16 0.00 -1.14 0.70 0.00 0.00 175.17 174.57 2fy1 n ARG 43 N 1.61 0.00 -0.46 2.11 0.63 -1.26 0.38 116.66 119.67 2fy1 n ARG 43 Ca -0.11 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.82 2fy1 n ARG 43 Cb 0.57 -2.66 0.00 0.00 0.45 0.00 0.00 32.46 30.82 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 -1.15 0.00 0.00 5.15 5.66 -1.26 -4.80 114.28 117.88 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 -0.24 -3.05 0.00 0.00 175.07 171.78 2fy1 n SER 45 N 0.00 0.00 -0.30 1.09 2.88 0.13 -4.97 113.62 112.44 2fy1 n SER 45 Ca 0.00 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.67 2fy1 n SER 45 Cb 0.00 0.00 0.36 0.00 -0.75 0.00 0.00 64.21 63.82 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 0.69 -0.71 -1.46 6.56 -0.38 -3.49 116.57 117.78 2fy1 h LYS 46 Ca 0.00 -0.04 0.00 0.00 -1.06 0.00 0.00 60.65 59.55 2fy1 h LYS 46 Cb 0.00 -0.16 0.00 0.00 -0.57 0.00 0.00 32.23 31.50 2fy1 h LYS 46 CO 0.00 0.46 0.00 0.45 -2.06 0.00 0.00 179.45 178.30 2fy1 n SER 47 N -4.61 -0.47 -1.57 0.86 2.88 -1.25 -5.01 113.62 104.45 2fy1 n SER 47 Ca 0.19 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.72 2fy1 n SER 47 Cb 0.51 -0.24 -0.00 0.00 -0.75 0.00 0.00 64.21 63.73 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 0.04 0.87 -3.67 -1.46 1.85 -1.26 -5.03 116.66 108.00 2fy1 n ARG 48 Ca 0.00 -0.18 -0.20 0.00 -1.00 0.00 0.00 57.85 56.46 2fy1 n ARG 48 Cb 0.00 0.10 -0.18 0.00 -1.05 0.00 0.00 32.46 31.33 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 -1.13 0.22 -0.01 2.89 0.00 -1.22 -4.52 107.32 103.55 2fy1 s GLY 49 Ca 0.01 0.15 0.02 0.00 0.00 0.00 0.00 44.72 44.90 2fy1 s GLY 49 CO 0.01 1.42 -0.05 -0.11 0.00 0.00 0.00 173.10 174.37 2fy1 s PHE 50 N 2.17 0.50 -0.13 1.90 -0.71 -0.67 -4.57 117.98 116.46 2fy1 s PHE 50 Ca 0.05 -0.10 -0.05 0.00 -1.04 0.00 0.00 56.93 55.79 2fy1 s PHE 50 Cb -0.12 -0.35 -0.04 0.00 -1.21 0.00 0.00 43.02 41.30 2fy1 s PHE 50 CO -0.04 -0.03 0.05 0.00 -1.34 0.00 0.00 175.22 173.86 2fy1 s ALA 51 N 0.03 3.43 -0.05 1.99 0.00 -0.63 0.32 121.76 126.85 2fy1 s ALA 51 Ca 0.00 -0.75 0.05 0.00 0.00 0.00 0.00 51.96 51.27 2fy1 s ALA 51 Cb -0.04 -1.75 -0.01 0.00 0.00 0.00 0.00 23.12 21.33 2fy1 s ALA 51 CO -0.00 0.42 -0.22 -0.06 0.00 0.00 0.00 175.76 175.90 2fy1 s PHE 52 N -0.37 2.17 -0.02 0.00 0.08 0.38 -0.18 117.98 120.04 2fy1 s PHE 52 Ca 0.09 -0.65 0.02 0.00 0.12 0.00 0.00 56.93 56.51 2fy1 s PHE 52 Cb -0.12 -1.43 0.00 0.00 -0.57 0.00 0.00 43.02 40.90 2fy1 s PHE 52 CO 0.02 -0.21 -0.06 0.42 -0.10 0.00 0.00 175.22 175.30 2fy1 s ILE 53 N -0.07 0.50 -0.22 0.64 1.01 0.16 -0.96 121.20 122.26 2fy1 s ILE 53 Ca -0.04 -0.22 -0.08 0.00 0.00 0.00 0.00 60.65 60.32 2fy1 s ILE 53 Cb -0.13 -0.46 -0.04 0.00 0.01 0.00 0.00 42.46 41.85 2fy1 s ILE 53 CO 0.03 0.17 0.07 -0.89 0.00 0.00 0.00 174.94 174.32 2fy1 s THR 54 N 0.19 4.63 -0.13 2.92 2.01 0.19 -0.82 115.64 124.63 2fy1 s THR 54 Ca -0.02 -0.08 -0.05 0.00 0.31 0.00 0.00 61.69 61.85 2fy1 s THR 54 Cb -0.06 -3.12 -0.04 0.00 0.01 0.00 0.00 72.50 69.29 2fy1 s THR 54 CO -0.00 0.40 0.04 -0.36 -0.69 0.00 0.00 174.62 174.00 2fy1 s PHE 55 N 0.97 3.25 0.54 4.92 0.40 -0.22 -0.46 117.98 127.37 2fy1 s PHE 55 Ca 0.04 0.16 0.45 0.00 -0.60 0.00 0.00 56.93 56.97 2fy1 s PHE 55 Cb -0.14 -1.93 1.66 0.00 0.51 0.00 0.00 43.02 43.12 2fy1 s PHE 55 CO 0.03 0.35 1.63 0.93 0.70 0.00 0.00 175.22 178.86 2fy1 h GLU 56 N 5.82 0.01 -4.50 0.44 5.08 -1.89 -3.41 114.58 116.13 2fy1 h GLU 56 Ca -0.45 -0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 57.66 2fy1 h GLU 56 Cb 1.19 -0.00 -0.21 0.00 0.50 0.00 0.00 28.75 30.23 2fy1 h GLU 56 CO 0.61 0.01 -0.73 -0.80 -1.00 0.00 0.00 179.01 177.11 2fy1 s ASN 57 N -4.25 0.80 0.37 1.42 0.01 -1.26 -5.04 114.94 106.98 2fy1 s ASN 57 Ca -0.05 -0.58 0.07 0.00 -0.71 0.00 0.00 52.86 51.59 2fy1 s ASN 57 Cb 0.26 0.05 0.71 0.00 0.41 0.00 0.00 41.25 42.68 2fy1 s ASN 57 CO 0.87 -0.24 1.90 1.55 -1.51 0.00 0.00 177.10 179.67 2fy1 h PRO 58 N 4.40 0.37 -0.22 -0.60 0.13 -1.89 -2.24 132.00 131.95 2fy1 h PRO 58 Ca -0.35 -0.08 0.03 0.00 -0.87 0.00 0.00 66.00 64.73 2fy1 h PRO 58 Cb 1.20 -0.05 -0.06 0.00 0.13 0.00 0.00 31.00 32.22 2fy1 h PRO 58 CO 0.42 0.45 -0.46 0.00 -0.23 0.00 0.00 178.00 178.19 2fy1 h ALA 59 N 1.58 -0.77 -0.40 -0.56 0.00 -1.96 -0.97 119.26 116.18 2fy1 h ALA 59 Ca 0.08 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2fy1 h ALA 59 Cb 0.34 1.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 2fy1 h ALA 59 CO 0.02 -0.96 0.20 -0.44 0.00 0.00 0.00 179.25 178.07 2fy1 h ASP 60 N -0.42 0.49 0.20 0.00 3.32 -1.79 0.11 116.42 118.34 2fy1 h ASP 60 Ca 0.04 -0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.07 2fy1 h ASP 60 Cb 0.54 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.93 2fy1 h ASP 60 CO -0.43 0.41 -0.32 0.00 -1.72 0.00 0.00 179.24 177.18 2fy1 h ALA 61 N 1.67 -0.61 -0.75 3.45 0.00 -1.13 -1.18 119.26 120.70 2fy1 h ALA 61 Ca 0.14 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.06 2fy1 h ALA 61 Cb 0.05 0.51 -0.07 0.00 0.00 0.00 0.00 17.79 18.28 2fy1 h ALA 61 CO -0.02 -0.89 0.42 -0.22 0.00 0.00 0.00 179.25 178.54 2fy1 h LYS 62 N -0.60 0.71 0.48 0.00 3.64 -0.45 0.22 116.57 120.58 2fy1 h LYS 62 Ca 0.01 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 2fy1 h LYS 62 Cb 0.59 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.23 2fy1 h LYS 62 CO -0.14 0.47 -0.47 -0.97 -2.27 0.00 0.00 179.45 176.07 2fy1 h ASN 63 N 0.73 -1.30 -0.82 4.20 -0.73 -0.65 0.17 115.58 117.18 2fy1 h ASN 63 Ca 0.35 0.10 0.11 0.00 1.87 0.00 0.00 56.30 58.74 2fy1 h ASN 63 Cb 0.29 0.43 -0.06 0.00 0.27 0.00 0.00 38.32 39.25 2fy1 h ASN 63 CO -0.22 -0.64 0.54 0.00 -0.37 0.00 0.00 177.43 176.73 2fy1 h ALA 64 N -0.75 1.80 0.35 1.57 0.00 -1.02 0.17 119.26 121.38 2fy1 h ALA 64 Ca -0.05 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2fy1 h ALA 64 Cb 0.84 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2fy1 h ALA 64 CO -0.06 0.01 -0.32 0.00 0.00 0.00 0.00 179.25 178.88 2fy1 h ALA 65 N 1.60 -1.03 -0.88 0.00 0.00 -0.53 -1.18 119.26 117.24 2fy1 h ALA 65 Ca 0.39 -0.13 0.11 0.00 0.00 0.00 0.00 54.91 55.28 2fy1 h ALA 65 Cb 0.55 0.54 -0.07 0.00 0.00 0.00 0.00 17.79 18.82 2fy1 h ALA 65 CO -0.16 -1.04 0.57 -0.22 0.00 0.00 0.00 179.25 178.40 2fy1 h LYS 66 N -0.66 0.79 0.45 0.00 3.64 -0.22 0.62 116.57 121.18 2fy1 h LYS 66 Ca -0.04 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.27 2fy1 h LYS 66 Cb 0.57 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.19 2fy1 h LYS 66 CO -0.03 0.53 -0.42 0.22 -2.27 0.00 0.00 179.45 177.48 2fy1 h ASP 67 N 0.82 -1.15 0.00 4.20 3.58 -1.01 -3.43 116.42 119.43 2fy1 h ASP 67 Ca 0.42 0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.96 2fy1 h ASP 67 Cb 0.50 0.38 0.00 0.00 1.72 0.00 0.00 39.33 41.93 2fy1 h ASP 67 CO -0.18 -0.57 0.00 0.23 -2.88 0.00 0.00 179.24 175.84 2fy1 n MET 68 N -4.99 0.00 -4.29 0.28 2.81 0.09 -4.84 117.12 106.18 2fy1 n MET 68 Ca -0.10 0.00 -0.32 0.00 -1.81 0.00 0.00 57.70 55.46 2fy1 n MET 68 Cb 0.39 -0.41 -0.09 0.00 -0.71 0.00 0.00 33.22 32.40 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 0.29 0.00 7.83 2.04 -0.48 -2.01 115.26 122.69 2fy1 n ASN 69 Ca 0.00 -1.22 0.00 0.00 -0.44 0.00 0.00 54.58 52.92 2fy1 n ASN 69 Cb 0.00 -1.53 0.00 0.00 -2.53 0.00 0.00 39.78 35.72 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 -2.18 1.90 3.70 4.83 0.00 -1.02 -4.90 105.19 107.53 2fy1 n GLY 70 Ca -0.22 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.67 -1.50 -3.67 1.61 3.00 -0.85 -4.84 118.16 111.23 2fy1 n LYS 71 Ca 0.00 -1.96 -0.09 0.00 -0.00 0.00 0.00 58.31 56.26 2fy1 n LYS 71 Cb 0.00 -1.36 -0.10 0.00 0.00 0.00 0.00 35.03 33.57 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 -5.56 -0.45 0.00 3.14 0.15 -1.26 -1.08 113.70 108.64 2fy1 s SER 72 Ca 0.73 1.00 0.00 0.00 0.70 0.00 0.00 55.95 58.37 2fy1 s SER 72 Cb -0.03 1.10 0.00 0.00 -1.71 0.00 0.00 66.02 65.38 2fy1 s SER 72 CO 0.52 -0.21 0.00 0.00 1.20 0.00 0.00 173.24 174.74 2fy1 n LEU 73 N 4.77 0.00 -2.07 3.45 -0.00 -0.63 -4.91 117.00 117.61 2fy1 n LEU 73 Ca -0.17 0.00 -0.25 0.00 -0.00 0.00 0.00 56.01 55.60 2fy1 n LEU 73 Cb 0.53 0.00 0.02 0.00 -0.00 0.00 0.00 43.42 43.97 2fy1 n LEU 73 CO 0.04 0.13 0.24 0.00 -0.00 0.00 0.00 177.39 177.80 2fy1 n HIS 74 N 0.00 2.82 -1.75 1.47 1.44 -1.26 -4.86 115.22 113.08 2fy1 n HIS 74 Ca 0.00 -2.32 -0.19 0.00 -2.01 0.00 0.00 57.72 53.20 2fy1 n HIS 74 Cb 0.17 -0.37 -0.06 0.00 0.12 0.00 0.00 29.99 29.85 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 -0.70 1.25 3.50 -1.39 0.00 -1.26 -4.94 105.19 101.65 2fy1 n GLY 75 Ca 0.44 -0.11 -0.16 0.00 0.00 0.00 0.00 46.02 46.19 2fy1 n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2fy1 s LYS 76 N -3.93 1.11 0.48 1.61 -0.14 -1.26 -5.16 119.74 112.45 2fy1 s LYS 76 Ca 0.00 0.07 -0.19 0.00 -1.36 0.00 0.00 55.97 54.49 2fy1 s LYS 76 Cb 0.00 0.52 -0.09 0.00 -1.68 0.00 0.00 37.83 36.58 2fy1 s LYS 76 CO 0.00 -0.39 0.99 0.00 -0.76 0.00 0.00 175.35 175.19 2fy1 s ALA 77 N -1.85 2.97 -0.13 5.17 0.00 -1.26 -1.61 121.76 125.05 2fy1 s ALA 77 Ca -0.08 0.39 -0.05 0.00 0.00 0.00 0.00 51.96 52.23 2fy1 s ALA 77 Cb -0.00 -3.18 -0.04 0.00 0.00 0.00 0.00 23.12 19.91 2fy1 s ALA 77 CO 0.04 -0.17 0.05 0.96 0.00 0.00 0.00 175.76 176.64 2fy1 s ILE 78 N -2.27 4.67 -0.15 0.00 -4.36 -0.24 -4.66 121.20 114.20 2fy1 s ILE 78 Ca 0.63 -0.10 -0.06 0.00 -0.26 0.00 0.00 60.65 60.87 2fy1 s ILE 78 Cb -0.12 -3.03 -0.04 0.00 1.25 0.00 0.00 42.46 40.52 2fy1 s ILE 78 CO 0.22 0.55 0.04 -0.75 0.24 0.00 0.00 174.94 175.24 2fy1 s LYS 79 N -0.39 3.64 -0.14 0.37 2.36 -0.58 -2.43 119.74 122.57 2fy1 s LYS 79 Ca 0.09 -0.35 0.02 0.00 -2.55 0.00 0.00 55.97 53.17 2fy1 s LYS 79 Cb -0.12 -3.07 0.01 0.00 -1.05 0.00 0.00 37.83 33.60 2fy1 s LYS 79 CO 0.02 0.44 -0.19 0.08 1.55 0.00 0.00 175.35 177.25 2fy1 s VAL 80 N -0.11 1.82 0.02 4.02 1.01 -1.26 -0.75 120.40 125.15 2fy1 s VAL 80 Ca 0.06 -0.82 0.02 0.00 0.00 0.00 0.00 61.98 61.24 2fy1 s VAL 80 Cb -0.12 -1.64 -0.02 0.00 0.00 0.00 0.00 36.38 34.60 2fy1 s VAL 80 CO 0.01 0.50 -0.07 -0.70 0.00 0.00 0.00 175.10 174.84 2fy1 s GLU 81 N 1.02 0.53 -0.14 2.72 2.56 -0.57 -4.76 118.70 120.07 2fy1 s GLU 81 Ca -0.04 -0.52 -0.24 0.00 0.00 0.00 0.00 54.97 54.18 2fy1 s GLU 81 Cb -0.15 -0.41 -0.03 0.00 2.00 0.00 0.00 34.13 35.55 2fy1 s GLU 81 CO -0.04 0.09 0.74 -0.65 -0.56 0.00 0.00 175.26 174.84 2fy1 s GLN 82 N -0.93 4.33 0.76 4.30 1.11 -1.26 -0.45 119.66 127.52 2fy1 s GLN 82 Ca -0.04 0.88 -0.13 0.00 0.01 0.00 0.00 55.36 56.08 2fy1 s GLN 82 Cb -0.06 -3.53 0.05 0.00 -1.01 0.00 0.00 33.01 28.46 2fy1 s GLN 82 CO 0.00 -0.16 1.13 0.00 0.01 0.00 0.00 175.29 176.27 2fy1 s ALA 83 N 1.59 2.13 0.04 6.09 0.00 -0.10 -4.85 121.76 126.66 2fy1 s ALA 83 Ca 0.36 0.54 0.00 0.00 0.00 0.00 0.00 51.96 52.86 2fy1 s ALA 83 Cb -0.17 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.59 2fy1 s ALA 83 CO 0.14 -1.85 0.00 1.17 0.00 0.00 0.00 175.76 175.22 2fy1 n LYS 84 N -3.18 0.00 -3.57 0.00 3.00 -1.26 -4.92 118.16 108.23 2fy1 n LYS 84 Ca 0.11 0.00 -0.07 0.00 -0.00 0.00 0.00 58.31 58.35 2fy1 n LYS 84 Cb 0.52 -0.03 -0.03 0.00 0.00 0.00 0.00 35.03 35.49 2fy1 n LYS 84 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.40 175.81 2fy1 s LYS 85 N -1.17 0.52 0.27 1.64 -2.85 -1.26 -5.16 119.74 111.73 2fy1 s LYS 85 Ca 0.00 -0.08 -0.20 0.00 -1.00 0.00 0.00 55.97 54.68 2fy1 s LYS 85 Cb 0.00 0.24 -0.09 0.00 -2.06 0.00 0.00 37.83 35.93 2fy1 s LYS 85 CO 0.00 -0.21 0.78 -1.25 0.10 0.00 0.00 175.35 174.78 2fy1 s PRO 86 N -2.13 4.29 0.22 1.78 0.04 -1.26 -4.99 135.00 132.95 2fy1 s PRO 86 Ca 0.05 0.95 0.24 0.00 0.04 0.00 0.00 61.00 62.28 2fy1 s PRO 86 Cb -0.01 -2.76 0.93 0.00 0.04 0.00 0.00 34.50 32.69 2fy1 s PRO 86 CO -0.04 0.32 1.72 0.45 0.04 0.00 0.00 177.00 179.48 2fy1 n SER 87 N 0.47 0.64 0.00 6.66 2.88 -1.26 -3.87 113.62 119.14 2fy1 n SER 87 Ca -0.00 0.63 0.00 0.00 -1.33 0.00 0.00 58.87 58.17 2fy1 n SER 87 Cb 0.51 -0.78 0.00 0.00 -0.75 0.00 0.00 64.21 63.20 2fy1 n SER 87 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 2fy1 n PHE 88 N -2.17 0.00 -4.03 0.66 7.35 -1.26 -5.12 117.46 112.88 2fy1 n PHE 88 Ca 0.03 0.00 -0.13 0.00 -0.76 0.00 0.00 57.45 56.59 2fy1 n PHE 88 Cb 0.27 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 40.07 2fy1 n PHE 88 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 2fy1 n GLN 89 N -0.10 0.53 -0.07 -4.13 6.02 -1.25 -5.09 117.38 113.29 2fy1 n GLN 89 Ca 0.00 -2.41 0.01 0.00 -0.01 0.00 0.00 57.00 54.58 2fy1 n GLN 89 Cb 0.11 2.24 0.01 0.00 1.02 0.00 0.00 30.24 33.62 2fy1 n GLN 89 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2fy1 n SER 90 N -1.76 0.67 0.00 1.08 7.64 -1.26 -4.57 113.62 115.42 2fy1 n SER 90 Ca 0.02 -1.51 0.00 0.00 1.01 0.00 0.00 58.87 58.39 2fy1 n SER 90 Cb 0.49 -0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.64 2fy1 n SER 90 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2fy1 n GLY 91 N -0.22 0.00 1.00 0.23 0.00 -1.26 -5.07 105.19 99.87 2fy1 n GLY 91 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 0.00 1.47 3.64 -0.02 0.00 -1.26 -4.96 105.19 104.06 2fy1 n GLY 92 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.54 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 0.63 1.75 -4.33 1.61 0.63 -1.26 -5.03 116.66 110.66 2fy1 n ARG 93 Ca 0.00 0.63 -0.17 0.00 -0.92 0.00 0.00 57.85 57.39 2fy1 n ARG 93 Cb 0.37 -2.32 -0.10 0.00 0.45 0.00 0.00 32.46 30.85 2fy1 n ARG 93 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 2fy1 s ARG 94 N 0.47 1.35 0.01 -0.14 1.81 -1.26 -5.14 118.95 116.05 2fy1 s ARG 94 Ca 0.78 -1.69 -0.13 0.00 -1.72 0.00 0.00 55.73 52.97 2fy1 s ARG 94 Cb -0.77 -0.59 0.02 0.00 -0.45 0.00 0.00 34.95 33.16 2fy1 s ARG 94 CO 0.43 -0.12 0.28 1.03 -0.68 0.00 0.00 175.30 176.25 2fy1 s ARG 95 N -3.88 0.70 0.66 3.54 0.52 -1.25 -3.93 118.95 115.31 2fy1 s ARG 95 Ca 0.29 -0.36 -0.07 0.00 -0.52 0.00 0.00 55.73 55.07 2fy1 s ARG 95 Cb 0.06 0.30 0.03 0.00 0.52 0.00 0.00 34.95 35.87 2fy1 s ARG 95 CO 0.09 -0.20 0.98 -1.25 0.02 0.00 0.00 175.30 174.94 2fy1 s PRO 96 N -1.85 2.56 0.94 3.54 0.04 -1.26 -4.88 135.00 134.09 2fy1 s PRO 96 Ca -0.10 -0.06 -0.12 0.00 0.04 0.00 0.00 61.00 60.75 2fy1 s PRO 96 Cb -0.04 -2.19 0.16 0.00 0.04 0.00 0.00 34.50 32.47 2fy1 s PRO 96 CO 0.01 -1.00 1.11 -1.25 0.04 0.00 0.00 177.00 175.90 2fy1 s PRO 97 N -5.16 0.87 -0.04 0.56 0.04 -1.26 -5.10 135.00 124.91 2fy1 s PRO 97 Ca 0.57 0.45 -0.06 0.00 0.04 0.00 0.00 61.00 62.01 2fy1 s PRO 97 Cb -0.11 -1.79 0.01 0.00 0.04 0.00 0.00 34.50 32.65 2fy1 s PRO 97 CO 0.46 -2.41 0.15 0.00 0.04 0.00 0.00 177.00 175.24 2fy1 s ALA 98 N -3.10 -0.37 0.17 8.56 0.00 -1.26 -4.94 121.76 120.82 2fy1 s ALA 98 Ca 0.64 0.30 -0.24 0.00 0.00 0.00 0.00 51.96 52.66 2fy1 s ALA 98 Cb -0.17 -0.17 0.06 0.00 0.00 0.00 0.00 23.12 22.84 2fy1 s ALA 98 CO 0.56 -0.11 0.74 0.45 0.00 0.00 0.00 175.76 177.39 2fy1 s SER 99 N -0.30 -0.38 -0.21 0.00 0.15 -1.26 -5.17 113.70 106.53 2fy1 s SER 99 Ca -0.04 -0.25 -0.07 0.00 0.70 0.00 0.00 55.95 56.29 2fy1 s SER 99 Cb -0.03 0.59 0.10 0.00 -1.71 0.00 0.00 66.02 64.97 2fy1 s SER 99 CO 0.01 -1.02 0.44 -0.55 1.20 0.00 0.00 173.24 173.31 2fy1 s SER 100 N -2.79 -0.35 0.24 5.45 0.15 -1.26 -5.18 113.70 109.97 2fy1 s SER 100 Ca 0.06 1.05 -0.15 0.00 0.70 0.00 0.00 55.95 57.62 2fy1 s SER 100 Cb -0.03 1.45 0.01 0.00 -1.71 0.00 0.00 66.02 65.74 2fy1 s SER 100 CO -0.04 -0.23 0.52 0.00 1.20 0.00 0.00 173.24 174.69 2fy1 s ARG 101 N 2.64 1.54 0.86 5.44 1.04 -1.26 -5.18 118.95 124.04 2fy1 s ARG 101 Ca -0.02 -1.13 -0.11 0.00 -1.04 0.00 0.00 55.73 53.43 2fy1 s ARG 101 Cb -0.12 0.50 0.11 0.00 -2.04 0.00 0.00 34.95 33.40 2fy1 s ARG 101 CO -0.13 -0.65 1.10 1.21 -0.04 0.00 0.00 175.30 176.78 2fy1 s ASN 102 N -2.97 3.66 -0.12 -2.89 2.47 -1.26 -5.09 114.94 108.73 2fy1 s ASN 102 Ca 0.18 1.78 -0.07 0.00 0.42 0.00 0.00 52.86 55.17 2fy1 s ASN 102 Cb -0.02 -2.41 0.05 0.00 -1.45 0.00 0.00 41.25 37.42 2fy1 s ASN 102 CO 0.06 -2.57 0.30 -0.60 -3.72 0.00 0.00 177.10 170.57 2fy1 s ARG 103 N -4.83 0.27 0.30 0.43 3.00 -1.26 -5.16 118.95 111.70 2fy1 s ARG 103 Ca 0.63 0.60 -0.29 0.00 -1.00 0.00 0.00 55.73 55.68 2fy1 s ARG 103 Cb -0.19 -0.08 -0.10 0.00 0.00 0.00 0.00 34.95 34.58 2fy1 s ARG 103 CO 0.57 -0.16 1.39 0.45 0.00 0.00 0.00 175.30 177.56 2fy1 s SER 104 N 1.26 6.66 0.72 -2.12 0.15 -1.26 -5.00 113.70 114.11 2fy1 s SER 104 Ca -0.09 2.73 -0.15 0.00 0.70 0.00 0.00 55.95 59.14 2fy1 s SER 104 Cb -0.09 -2.64 0.03 0.00 -1.71 0.00 0.00 66.02 61.61 2fy1 s SER 104 CO -0.09 -0.65 1.16 -2.16 1.20 0.00 0.00 173.24 172.70 2fy1 s PRO 105 N -1.19 2.30 0.09 5.44 0.04 -1.26 -5.06 135.00 135.36 2fy1 s PRO 105 Ca 0.54 1.60 -0.06 0.00 0.04 0.00 0.00 61.00 63.12 2fy1 s PRO 105 Cb -0.42 -1.87 -0.02 0.00 0.04 0.00 0.00 34.50 32.24 2fy1 s PRO 105 CO 0.50 -1.68 0.13 -1.12 0.04 0.00 0.00 177.00 174.88 2fy1 s SER 106 N -2.31 0.22 -0.08 6.66 0.01 -1.26 -5.18 113.70 111.76 2fy1 s SER 106 Ca 0.71 -0.82 -0.32 0.00 1.31 0.00 0.00 55.95 56.83 2fy1 s SER 106 Cb -0.25 0.31 0.13 0.00 0.21 0.00 0.00 66.02 66.42 2fy1 s SER 106 CO 0.45 -0.72 1.39 -0.83 0.41 0.00 0.00 173.24 173.94 2fy1 s GLY 107 N -2.91 -0.37 0.00 3.44 0.00 -1.26 -5.34 107.32 100.88 2fy1 s GLY 107 Ca 0.09 0.60 0.00 0.00 0.00 0.00 0.00 44.72 45.41 2fy1 s GLY 107 CO -0.08 2.70 0.00 1.44 0.00 0.00 0.00 173.10 177.16