#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fy9 s LEU 2 N 0.00 2.20 -0.01 -4.42 2.96 -1.26 -1.44 118.68 116.71 3fy9 s LEU 2 Ca 0.00 -0.81 0.05 0.00 -0.22 0.00 0.00 54.13 53.15 3fy9 s LEU 2 Cb 0.00 -1.26 -0.01 0.00 0.50 0.00 0.00 46.19 45.41 3fy9 s LEU 2 CO 0.00 -0.11 -0.16 -0.44 -1.32 0.00 0.00 176.35 174.31 3fy9 s SER 3 N 1.39 1.92 0.20 3.68 0.01 -0.13 -1.01 113.70 119.75 3fy9 s SER 3 Ca 0.00 -0.32 -0.30 0.00 1.31 0.00 0.00 55.95 56.65 3fy9 s SER 3 Cb -0.15 -0.21 -0.08 0.00 0.21 0.00 0.00 66.02 65.79 3fy9 s SER 3 CO -0.09 0.19 1.06 -0.63 0.41 0.00 0.00 173.24 174.18 3fy9 s ILE 4 N -0.43 3.88 -0.16 1.44 1.01 -0.81 0.54 121.20 126.67 3fy9 s ILE 4 Ca 0.06 1.72 0.00 0.00 0.00 0.00 0.00 60.65 62.43 3fy9 s ILE 4 Cb -0.06 -4.09 0.03 0.00 0.01 0.00 0.00 42.46 38.34 3fy9 s ILE 4 CO -0.00 0.34 -0.14 -0.22 0.00 0.00 0.00 174.94 174.91 3fy9 s LEU 5 N -0.70 1.82 -0.11 2.97 2.96 -0.81 0.19 118.68 124.98 3fy9 s LEU 5 Ca 0.47 -0.56 -0.21 0.00 -0.22 0.00 0.00 54.13 53.60 3fy9 s LEU 5 Cb -0.29 -1.21 0.05 0.00 0.50 0.00 0.00 46.19 45.24 3fy9 s LEU 5 CO 0.35 -0.07 0.53 0.54 -1.32 0.00 0.00 176.35 176.38 3fy9 s VAL 6 N 1.46 0.01 -0.15 1.68 0.11 -0.63 -4.50 120.40 118.38 3fy9 s VAL 6 Ca 0.04 -0.11 -0.03 0.00 -2.93 0.00 0.00 61.98 58.95 3fy9 s VAL 6 Cb -0.13 -0.80 -0.02 0.00 -1.53 0.00 0.00 36.38 33.90 3fy9 s VAL 6 CO -0.10 -0.06 -0.06 0.00 -3.33 0.00 0.00 175.10 171.54 3fy9 s ALA 7 N -0.53 2.88 0.06 1.54 0.00 -1.26 -0.20 121.76 124.25 3fy9 s ALA 7 Ca -0.06 -0.87 0.02 0.00 0.00 0.00 0.00 51.96 51.04 3fy9 s ALA 7 Cb -0.03 -1.48 -0.03 0.00 0.00 0.00 0.00 23.12 21.58 3fy9 s ALA 7 CO 0.04 0.16 -0.07 -3.38 0.00 0.00 0.00 175.76 172.51 3fy9 s HIS 8 N 0.47 0.74 0.00 0.00 -3.43 -0.10 -4.56 115.29 108.41 3fy9 s HIS 8 Ca -0.05 -0.68 0.00 0.00 -0.80 0.00 0.00 55.06 53.53 3fy9 s HIS 8 Cb -0.15 -0.44 0.00 0.00 -1.43 0.00 0.00 32.58 30.56 3fy9 s HIS 8 CO 0.03 -0.12 0.00 -0.40 -2.00 0.00 0.00 174.74 172.25 3fy9 n ASP 9 N 0.84 0.00 0.02 7.38 5.75 -0.37 -1.12 116.55 129.05 3fy9 n ASP 9 Ca -0.18 -0.69 0.08 0.00 -0.01 0.00 0.00 54.79 53.98 3fy9 n ASP 9 Cb 0.57 0.00 0.33 0.00 -1.03 0.00 0.00 41.12 40.99 3fy9 n ASP 9 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3fy9 n LEU 10 N 0.00 0.11 -0.43 -2.12 4.77 -0.80 -1.27 117.00 117.25 3fy9 n LEU 10 Ca 0.00 0.53 0.06 0.00 -0.03 0.00 0.00 56.01 56.57 3fy9 n LEU 10 Cb 0.00 -0.51 0.12 0.00 -2.33 0.00 0.00 43.42 40.69 3fy9 n LEU 10 CO 0.00 -0.31 0.40 0.00 -1.33 0.00 0.00 177.39 176.15 3fy9 n GLN 11 N -1.62 0.97 -1.55 3.23 6.02 -1.26 -4.97 117.38 118.19 3fy9 n GLN 11 Ca 0.03 -2.39 -0.13 0.00 -0.01 0.00 0.00 57.00 54.51 3fy9 n GLN 11 Cb 0.17 -1.18 -0.04 0.00 1.02 0.00 0.00 30.24 30.22 3fy9 n GLN 11 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3fy9 n ARG 12 N -0.88 -0.90 -2.09 -1.09 1.74 -0.40 -4.92 116.66 108.13 3fy9 n ARG 12 Ca 0.13 0.87 -0.41 0.00 -0.77 0.00 0.00 57.85 57.66 3fy9 n ARG 12 Cb 0.72 -4.94 -0.03 0.00 -1.02 0.00 0.00 32.46 27.20 3fy9 n ARG 12 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3fy9 s VAL 13 N -2.50 2.89 -0.03 1.55 1.01 -1.26 -0.07 120.40 121.99 3fy9 s VAL 13 Ca 0.00 0.72 0.04 0.00 0.00 0.00 0.00 61.98 62.74 3fy9 s VAL 13 Cb 0.00 -3.46 -0.06 0.00 0.00 0.00 0.00 36.38 32.86 3fy9 s VAL 13 CO 0.00 0.10 0.10 2.30 0.00 0.00 0.00 175.10 177.60 3fy9 n ILE 14 N 2.65 0.00 -3.74 2.22 -5.35 -0.70 -1.24 119.36 113.21 3fy9 n ILE 14 Ca 0.07 -0.14 -0.13 0.00 -0.27 0.00 0.00 62.75 62.29 3fy9 n ILE 14 Cb 0.41 0.50 -0.10 0.00 -1.74 0.00 0.00 39.64 38.71 3fy9 n ILE 14 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3fy9 s GLY 15 N -2.28 -0.29 -0.04 3.28 0.00 -1.20 -4.47 107.32 102.33 3fy9 s GLY 15 Ca -0.01 1.11 -0.02 0.00 0.00 0.00 0.00 44.72 45.80 3fy9 s GLY 15 CO 0.16 0.96 0.05 -0.12 0.00 0.00 0.00 173.10 174.14 3fy9 s PHE 16 N 0.21 0.07 -1.54 1.90 2.19 -0.20 -0.54 117.98 120.06 3fy9 s PHE 16 Ca -0.00 0.22 -0.14 0.00 0.33 0.00 0.00 56.93 57.34 3fy9 s PHE 16 Cb -0.03 -0.43 0.09 0.00 -1.31 0.00 0.00 43.02 41.34 3fy9 s PHE 16 CO 0.01 -0.17 0.95 0.39 1.83 0.00 0.00 175.22 178.22 3fy9 n GLU 17 N 5.03 -5.22 -2.05 10.12 1.02 -1.26 -1.61 120.64 126.67 3fy9 n GLU 17 Ca -0.09 0.57 -0.09 0.00 -0.02 0.00 0.00 57.16 57.53 3fy9 n GLU 17 Cb 0.50 -5.42 -0.01 0.00 -0.02 0.00 0.00 31.44 26.49 3fy9 n GLU 17 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3fy9 n ASN 18 N -2.83 -3.19 -4.13 1.62 3.02 -1.26 -5.01 115.26 103.48 3fy9 n ASN 18 Ca 0.03 0.02 -0.10 0.00 -0.03 0.00 0.00 54.58 54.50 3fy9 n ASN 18 Cb 0.53 -2.35 -0.10 0.00 -0.61 0.00 0.00 39.78 37.25 3fy9 n ASN 18 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3fy9 s GLN 19 N -4.22 1.00 0.33 3.52 -0.21 -0.63 -4.70 119.66 114.73 3fy9 s GLN 19 Ca 0.00 -1.43 -0.29 0.00 0.02 0.00 0.00 55.36 53.66 3fy9 s GLN 19 Cb 0.00 0.27 -0.11 0.00 1.00 0.00 0.00 33.01 34.17 3fy9 s GLN 19 CO 0.00 -0.30 1.42 -0.51 -2.12 0.00 0.00 175.29 173.78 3fy9 s LEU 20 N -3.05 4.37 0.11 2.90 1.43 -1.26 -1.04 118.68 122.15 3fy9 s LEU 20 Ca 0.25 2.83 0.23 0.00 -1.03 0.00 0.00 54.13 56.41 3fy9 s LEU 20 Cb 0.07 -3.65 0.90 0.00 0.03 0.00 0.00 46.19 43.54 3fy9 s LEU 20 CO 0.03 -0.72 1.71 -2.65 0.23 0.00 0.00 176.35 174.94 3fy9 n PRO 21 N 1.14 0.11 -4.52 1.29 -0.02 -1.26 -4.75 135.00 126.98 3fy9 n PRO 21 Ca 0.03 0.23 -0.24 0.00 -2.02 0.00 0.00 63.50 61.49 3fy9 n PRO 21 Cb 0.40 -1.66 -0.14 0.00 -0.02 0.00 0.00 33.50 32.08 3fy9 n PRO 21 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 3fy9 s TRP 22 N -3.11 1.69 -0.48 6.00 -2.14 -1.26 -5.04 118.94 114.60 3fy9 s TRP 22 Ca 0.09 -0.38 -0.28 0.00 2.66 0.00 0.00 56.10 58.19 3fy9 s TRP 22 Cb 0.12 -0.99 0.03 0.00 -3.10 0.00 0.00 33.47 29.53 3fy9 s TRP 22 CO 0.43 0.10 1.06 -1.58 -2.66 0.00 0.00 176.95 174.30 3fy9 s HIS 23 N -0.87 2.84 -0.43 1.66 5.65 -1.26 -5.01 115.29 117.86 3fy9 s HIS 23 Ca 0.06 0.56 0.05 0.00 0.25 0.00 0.00 55.06 55.97 3fy9 s HIS 23 Cb -0.09 -4.27 0.17 0.00 -1.18 0.00 0.00 32.58 27.21 3fy9 s HIS 23 CO 0.02 -1.23 0.45 -1.17 -0.65 0.00 0.00 174.74 172.16 3fy9 s LEU 24 N 4.23 0.30 0.31 8.88 2.96 -1.26 -4.79 118.68 129.30 3fy9 s LEU 24 Ca 0.43 -2.38 0.04 0.00 -0.22 0.00 0.00 54.13 52.00 3fy9 s LEU 24 Cb -0.08 0.42 0.65 0.00 0.50 0.00 0.00 46.19 47.67 3fy9 s LEU 24 CO 0.29 -0.16 1.84 -0.65 -1.32 0.00 0.00 176.35 176.36 3fy9 h PRO 25 N 5.77 0.86 -0.56 0.98 0.11 -1.96 -0.76 132.00 136.44 3fy9 h PRO 25 Ca 0.16 -0.05 0.11 0.00 0.11 0.00 0.00 66.00 66.33 3fy9 h PRO 25 Cb 1.00 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 31.88 3fy9 h PRO 25 CO 0.23 0.57 0.38 -0.91 -0.21 0.00 0.00 178.00 178.07 3fy9 h ASN 26 N 0.89 0.25 0.84 -2.05 4.21 -1.95 -0.40 115.58 117.36 3fy9 h ASN 26 Ca 0.49 0.01 -0.24 0.00 1.21 0.00 0.00 56.30 57.77 3fy9 h ASN 26 Cb 0.59 -0.04 -0.02 0.00 -1.12 0.00 0.00 38.32 37.73 3fy9 h ASN 26 CO -0.26 0.15 -1.13 -0.78 -1.29 0.00 0.00 177.43 174.12 3fy9 h ASP 27 N 0.27 0.15 0.04 5.81 -0.00 -1.57 -1.48 116.42 119.65 3fy9 h ASP 27 Ca 0.26 -0.17 -0.17 0.00 -0.00 0.00 0.00 57.03 56.96 3fy9 h ASP 27 Cb 0.67 -0.05 -0.00 0.00 -0.00 0.00 0.00 39.33 39.95 3fy9 h ASP 27 CO -0.06 1.13 -0.59 -0.07 -0.00 0.00 0.00 179.24 179.66 3fy9 h LEU 28 N 0.03 0.63 -0.56 2.28 3.38 -1.18 -0.35 115.31 119.53 3fy9 h LEU 28 Ca -0.07 -0.35 0.01 0.00 0.09 0.00 0.00 57.88 57.56 3fy9 h LEU 28 Cb 1.86 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 42.40 3fy9 h LEU 28 CO 0.15 1.07 0.37 0.50 0.09 0.00 0.00 178.44 180.63 3fy9 h LYS 29 N 0.42 0.73 -0.82 1.13 3.64 -1.13 -1.46 116.57 119.08 3fy9 h LYS 29 Ca -0.00 -0.04 0.15 0.00 -1.27 0.00 0.00 60.65 59.49 3fy9 h LYS 29 Cb 1.14 -0.17 -0.10 0.00 -0.41 0.00 0.00 32.23 32.70 3fy9 h LYS 29 CO 0.11 0.49 0.39 1.25 -2.27 0.00 0.00 179.45 179.41 3fy9 h HIS 30 N 0.76 0.67 -0.18 1.91 2.76 -0.88 -1.28 115.15 118.90 3fy9 h HIS 30 Ca 0.21 0.04 -0.00 0.00 -2.20 0.00 0.00 60.37 58.41 3fy9 h HIS 30 Cb -0.08 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 28.70 3fy9 h HIS 30 CO -0.04 0.12 0.10 0.28 -1.30 0.00 0.00 177.93 177.09 3fy9 h VAL 31 N 0.54 1.09 0.30 5.26 2.07 -0.54 -1.40 116.25 123.57 3fy9 h VAL 31 Ca 0.45 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.73 3fy9 h VAL 31 Cb 0.68 0.94 -0.04 0.00 -1.52 0.00 0.00 31.29 31.36 3fy9 h VAL 31 CO -0.39 0.09 -0.52 0.50 0.02 0.00 0.00 177.57 177.26 3fy9 h LYS 32 N 0.19 -0.84 -0.34 1.57 3.64 -0.80 -1.53 116.57 118.46 3fy9 h LYS 32 Ca 0.06 0.06 0.07 0.00 -1.27 0.00 0.00 60.65 59.57 3fy9 h LYS 32 Cb 0.05 0.19 -0.07 0.00 -0.41 0.00 0.00 32.23 32.00 3fy9 h LYS 32 CO -0.01 -0.56 -0.10 -0.22 -2.27 0.00 0.00 179.45 176.29 3fy9 h LYS 33 N -0.88 -0.02 -0.69 1.90 1.63 -1.22 0.16 116.57 117.45 3fy9 h LYS 33 Ca -0.03 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.73 3fy9 h LYS 33 Cb 0.82 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.42 3fy9 h LYS 33 CO -0.19 -0.01 0.28 -0.07 -3.45 0.00 0.00 179.45 176.01 3fy9 h LEU 34 N -0.02 0.93 0.00 5.20 3.38 -1.14 -3.36 115.31 120.31 3fy9 h LEU 34 Ca 0.17 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 3fy9 h LEU 34 Cb 0.27 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 3fy9 h LEU 34 CO -0.36 0.83 -1.53 -1.54 0.09 0.00 0.00 178.44 175.92 3fy9 n SER 35 N -4.30 2.43 -4.61 -0.43 3.41 -0.59 -4.93 113.62 104.60 3fy9 n SER 35 Ca 0.06 0.00 -0.47 0.00 -0.26 0.00 0.00 58.87 58.20 3fy9 n SER 35 Cb 0.17 1.44 -0.03 0.00 -0.26 0.00 0.00 64.21 65.53 3fy9 n SER 35 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3fy9 n THR 36 N -1.94 1.08 -0.94 6.66 -1.04 0.53 -1.52 114.28 117.10 3fy9 n THR 36 Ca -0.04 -0.27 0.00 0.00 -2.04 0.00 0.00 64.05 61.71 3fy9 n THR 36 Cb 0.35 -1.10 0.00 0.00 -1.82 0.00 0.00 70.33 67.76 3fy9 n THR 36 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3fy9 n GLY 37 N 1.94 0.52 0.00 3.41 0.00 0.20 -4.98 105.19 106.28 3fy9 n GLY 37 Ca 0.13 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3fy9 n GLY 37 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3fy9 n HIS 38 N -2.94 0.00 -5.05 1.61 -0.00 -0.58 -4.92 115.22 103.34 3fy9 n HIS 38 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 57.72 57.40 3fy9 n HIS 38 Cb 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 29.99 29.85 3fy9 n HIS 38 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 3fy9 s THR 39 N -0.43 2.66 -0.12 1.59 2.01 -0.99 0.14 115.64 120.51 3fy9 s THR 39 Ca 0.00 -0.87 -0.01 0.00 0.31 0.00 0.00 61.69 61.12 3fy9 s THR 39 Cb 0.00 -2.00 -0.02 0.00 0.01 0.00 0.00 72.50 70.48 3fy9 s THR 39 CO 0.00 0.58 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.67 3fy9 s LEU 40 N -0.60 2.99 -0.17 4.42 1.43 0.68 -0.86 118.68 126.57 3fy9 s LEU 40 Ca 0.09 -0.19 -0.05 0.00 -1.03 0.00 0.00 54.13 52.95 3fy9 s LEU 40 Cb -0.11 -1.68 -0.03 0.00 0.03 0.00 0.00 46.19 44.40 3fy9 s LEU 40 CO 0.00 0.22 0.01 -0.69 0.23 0.00 0.00 176.35 176.12 3fy9 s VAL 41 N 0.04 4.31 0.04 -1.59 1.01 -0.32 -0.87 120.40 123.03 3fy9 s VAL 41 Ca -0.02 -0.21 0.01 0.00 0.00 0.00 0.00 61.98 61.76 3fy9 s VAL 41 Cb -0.14 -2.91 -0.03 0.00 0.00 0.00 0.00 36.38 33.30 3fy9 s VAL 41 CO 0.03 0.48 -0.05 0.00 0.00 0.00 0.00 175.10 175.57 3fy9 s MET 42 N 0.35 0.51 0.65 2.72 0.00 -0.57 0.08 119.30 123.05 3fy9 s MET 42 Ca -0.01 -0.89 -0.11 0.00 0.00 0.00 0.00 55.69 54.68 3fy9 s MET 42 Cb -0.13 -0.03 -0.02 0.00 0.00 0.00 0.00 34.83 34.65 3fy9 s MET 42 CO 0.02 -0.03 1.04 0.20 0.00 0.00 0.00 175.02 176.25 3fy9 s GLY 43 N -2.04 1.69 0.31 3.16 0.00 -0.13 0.04 107.32 110.35 3fy9 s GLY 43 Ca -0.05 0.01 0.08 0.00 0.00 0.00 0.00 44.72 44.75 3fy9 s GLY 43 CO -0.03 0.30 1.74 -0.09 0.00 0.00 0.00 173.10 175.02 3fy9 h ARG 44 N -0.46 0.61 -0.18 2.90 1.12 -1.57 -1.98 114.38 114.81 3fy9 h ARG 44 Ca -0.44 -0.04 -0.03 0.00 -1.11 0.00 0.00 59.98 58.36 3fy9 h ARG 44 Cb 1.20 -0.14 -0.01 0.00 -0.01 0.00 0.00 29.97 31.02 3fy9 h ARG 44 CO 0.59 0.40 -0.02 0.87 -3.11 0.00 0.00 179.97 178.71 3fy9 h LYS 45 N 0.63 0.34 -0.98 0.20 1.57 -1.92 -2.20 116.57 114.20 3fy9 h LYS 45 Ca 0.61 -0.12 0.04 0.00 -1.87 0.00 0.00 60.65 59.31 3fy9 h LYS 45 Cb 1.09 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 33.32 3fy9 h LYS 45 CO -0.45 0.57 0.64 1.15 -0.57 0.00 0.00 179.45 180.79 3fy9 h THR 46 N 0.07 1.17 -0.43 -0.16 2.02 -1.69 -1.27 112.91 112.62 3fy9 h THR 46 Ca 0.05 -0.42 -0.02 0.00 0.77 0.00 0.00 66.41 66.79 3fy9 h THR 46 Cb 0.43 -0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 66.65 3fy9 h THR 46 CO 0.01 0.23 0.21 0.15 0.37 0.00 0.00 175.52 176.48 3fy9 h PHE 47 N 1.23 0.62 -0.61 3.16 3.04 -1.11 -0.76 116.94 122.52 3fy9 h PHE 47 Ca 0.39 -0.03 0.09 0.00 3.98 0.00 0.00 57.97 62.40 3fy9 h PHE 47 Cb 0.00 -0.19 -0.07 0.00 2.56 0.00 0.00 35.95 38.25 3fy9 h PHE 47 CO -0.00 0.51 0.24 0.93 -2.02 0.00 0.00 178.31 177.97 3fy9 h GLU 48 N 0.55 0.42 -0.56 1.11 3.07 -1.07 0.90 114.58 119.00 3fy9 h GLU 48 Ca 0.15 -0.03 0.06 0.00 -0.50 0.00 0.00 59.36 59.04 3fy9 h GLU 48 Cb 0.12 -0.09 -0.09 0.00 -0.84 0.00 0.00 28.75 27.84 3fy9 h GLU 48 CO -0.02 0.28 -0.56 0.77 -1.40 0.00 0.00 179.01 178.08 3fy9 h SER 49 N 0.43 -1.93 -0.29 1.42 0.02 -0.56 -3.00 113.55 109.65 3fy9 h SER 49 Ca 0.30 0.27 -0.18 0.00 -0.84 0.00 0.00 61.79 61.34 3fy9 h SER 49 Cb 0.36 0.81 -0.00 0.00 0.14 0.00 0.00 62.40 63.71 3fy9 h SER 49 CO -0.29 -0.36 -0.49 0.16 -1.14 0.00 0.00 176.83 174.70 3fy9 h ILE 50 N -0.30 1.28 0.00 3.27 3.07 -0.41 -3.46 117.51 120.95 3fy9 h ILE 50 Ca 0.10 -1.68 0.00 0.00 1.55 0.00 0.00 64.86 64.83 3fy9 h ILE 50 Cb 0.55 1.55 0.00 0.00 -0.27 0.00 0.00 36.82 38.65 3fy9 h ILE 50 CO -0.68 0.55 0.00 0.61 -1.05 0.00 0.00 178.15 177.58 3fy9 n GLY 51 N 0.28 2.34 3.53 0.16 0.00 0.31 -4.97 105.19 106.83 3fy9 n GLY 51 Ca -0.04 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.95 3fy9 n GLY 51 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3fy9 n LYS 52 N -2.00 0.68 -1.45 1.61 0.00 -1.26 -4.96 118.16 110.78 3fy9 n LYS 52 Ca 0.00 -1.48 -0.36 0.00 -0.00 0.00 0.00 58.31 56.47 3fy9 n LYS 52 Cb 0.00 1.97 0.08 0.00 -0.00 0.00 0.00 35.03 37.08 3fy9 n LYS 52 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 3fy9 n PRO 53 N -0.64 0.65 -3.23 -1.58 -0.02 -1.26 -4.98 135.00 123.94 3fy9 n PRO 53 Ca -0.03 0.28 -0.38 0.00 -2.02 0.00 0.00 63.50 61.34 3fy9 n PRO 53 Cb 0.54 -2.28 -0.06 0.00 -0.02 0.00 0.00 33.50 31.68 3fy9 n PRO 53 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3fy9 s LEU 54 N -3.34 4.27 0.71 2.45 1.43 -1.26 -5.06 118.68 117.88 3fy9 s LEU 54 Ca 0.76 0.90 -0.16 0.00 -1.03 0.00 0.00 54.13 54.59 3fy9 s LEU 54 Cb -0.36 -2.80 0.03 0.00 0.03 0.00 0.00 46.19 43.09 3fy9 s LEU 54 CO 0.48 -0.05 1.26 -2.16 0.23 0.00 0.00 176.35 176.10 3fy9 s PRO 55 N 0.80 2.20 -0.65 1.29 0.04 -1.26 -3.79 135.00 133.63 3fy9 s PRO 55 Ca 0.29 1.93 0.00 0.00 0.04 0.00 0.00 61.00 63.26 3fy9 s PRO 55 Cb -0.16 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.56 3fy9 s PRO 55 CO 0.12 -1.83 0.00 0.09 0.04 0.00 0.00 177.00 175.42 3fy9 n ASN 56 N -2.45 -3.85 -4.07 6.66 5.03 -1.26 -4.86 115.26 110.46 3fy9 n ASN 56 Ca 0.15 0.15 -0.10 0.00 0.87 0.00 0.00 54.58 55.65 3fy9 n ASN 56 Cb 0.49 -1.89 -0.07 0.00 -1.02 0.00 0.00 39.78 37.29 3fy9 n ASN 56 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3fy9 s ARG 57 N -2.37 1.41 0.06 3.52 1.70 -1.25 0.60 118.95 122.62 3fy9 s ARG 57 Ca 0.00 -1.38 -0.30 0.00 -0.47 0.00 0.00 55.73 53.58 3fy9 s ARG 57 Cb 0.00 0.40 -0.05 0.00 -0.57 0.00 0.00 34.95 34.73 3fy9 s ARG 57 CO 0.00 -0.55 1.06 0.50 -1.08 0.00 0.00 175.30 175.23 3fy9 s ARG 58 N -4.06 4.55 -0.20 3.89 3.52 0.12 -4.91 118.95 121.85 3fy9 s ARG 58 Ca 0.28 1.57 -0.02 0.00 -0.13 0.00 0.00 55.73 57.43 3fy9 s ARG 58 Cb 0.02 -3.39 0.00 0.00 -1.56 0.00 0.00 34.95 30.02 3fy9 s ARG 58 CO 0.10 -0.06 -0.10 -0.80 -0.81 0.00 0.00 175.30 173.63 3fy9 s ASN 59 N 0.73 3.85 -0.07 -2.12 0.01 -1.26 -0.23 114.94 115.84 3fy9 s ASN 59 Ca 0.53 -0.49 0.01 0.00 -0.71 0.00 0.00 52.86 52.20 3fy9 s ASN 59 Cb -0.25 -1.64 0.02 0.00 0.41 0.00 0.00 41.25 39.79 3fy9 s ASN 59 CO 0.30 -0.01 -0.10 -0.69 -1.51 0.00 0.00 177.10 175.09 3fy9 s VAL 60 N 1.39 1.01 -0.15 1.60 1.01 -0.05 -1.15 120.40 124.07 3fy9 s VAL 60 Ca 0.05 -0.38 0.01 0.00 0.00 0.00 0.00 61.98 61.67 3fy9 s VAL 60 Cb -0.14 -0.97 0.01 0.00 0.00 0.00 0.00 36.38 35.28 3fy9 s VAL 60 CO -0.07 0.34 -0.19 -0.69 0.00 0.00 0.00 175.10 174.49 3fy9 s VAL 61 N 0.96 2.31 -0.14 2.92 1.01 -0.15 -1.51 120.40 125.80 3fy9 s VAL 61 Ca -0.09 -0.89 -0.17 0.00 0.00 0.00 0.00 61.98 60.83 3fy9 s VAL 61 Cb -0.15 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 3fy9 s VAL 61 CO 0.00 0.53 0.45 -0.22 0.00 0.00 0.00 175.10 175.87 3fy9 s LEU 62 N 0.90 4.25 -0.18 3.92 2.96 0.11 -1.10 118.68 129.53 3fy9 s LEU 62 Ca -0.04 0.74 -0.28 0.00 -0.22 0.00 0.00 54.13 54.32 3fy9 s LEU 62 Cb -0.15 -2.64 0.11 0.00 0.50 0.00 0.00 46.19 44.00 3fy9 s LEU 62 CO -0.03 -0.01 0.90 0.28 -1.32 0.00 0.00 176.35 176.17 3fy9 s THR 63 N 0.76 0.00 -1.06 3.68 -1.32 -0.44 -1.35 115.64 115.90 3fy9 s THR 63 Ca 0.24 0.00 0.27 0.00 -1.21 0.00 0.00 61.69 60.99 3fy9 s THR 63 Cb -0.15 -1.00 0.13 0.00 -1.51 0.00 0.00 72.50 69.97 3fy9 s THR 63 CO 0.09 0.00 1.64 -1.54 -2.21 0.00 0.00 174.62 172.60 3fy9 n SER 64 N 1.41 0.33 -4.61 8.08 3.41 -1.26 -4.17 113.62 116.81 3fy9 n SER 64 Ca -0.13 -0.02 -0.43 0.00 -0.26 0.00 0.00 58.87 58.03 3fy9 n SER 64 Cb 0.57 -0.05 -0.02 0.00 -0.26 0.00 0.00 64.21 64.45 3fy9 n SER 64 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3fy9 s ASP 65 N -2.95 6.30 0.00 4.04 3.68 -1.26 -4.85 116.67 121.63 3fy9 s ASP 65 Ca 0.14 1.04 0.29 0.00 2.13 0.00 0.00 52.55 56.14 3fy9 s ASP 65 Cb 0.18 -2.54 1.31 0.00 -1.45 0.00 0.00 42.92 40.43 3fy9 s ASP 65 CO 0.62 -1.42 1.91 0.35 0.13 0.00 0.00 175.17 176.75 3fy9 n THR 66 N 6.98 0.00 0.66 1.71 -2.24 -1.26 -2.61 114.28 117.52 3fy9 n THR 66 Ca 0.18 -0.07 0.11 0.00 -2.27 0.00 0.00 64.05 61.99 3fy9 n THR 66 Cb 0.47 -0.09 0.13 0.00 -2.10 0.00 0.00 70.33 68.74 3fy9 n THR 66 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3fy9 n SER 67 N -0.83 3.00 -4.61 3.42 7.64 -1.26 -4.89 113.62 116.10 3fy9 n SER 67 Ca 0.16 -1.92 -0.43 0.00 1.01 0.00 0.00 58.87 57.69 3fy9 n SER 67 Cb 0.26 -0.09 -0.03 0.00 -1.01 0.00 0.00 64.21 63.34 3fy9 n SER 67 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 3fy9 s PHE 68 N -1.65 1.33 -0.23 1.43 5.36 -1.07 -4.95 117.98 118.19 3fy9 s PHE 68 Ca 0.29 0.44 -0.03 0.00 -0.96 0.00 0.00 56.93 56.68 3fy9 s PHE 68 Cb 0.19 -4.00 0.11 0.00 -0.34 0.00 0.00 43.02 38.98 3fy9 s PHE 68 CO 0.28 -4.01 0.26 1.21 -1.46 0.00 0.00 175.22 171.50 3fy9 s ASN 69 N 7.32 1.29 -0.13 6.13 2.47 -1.26 -4.89 114.94 125.88 3fy9 s ASN 69 Ca 0.94 -0.29 0.02 0.00 0.42 0.00 0.00 52.86 53.95 3fy9 s ASN 69 Cb -0.32 0.53 0.01 0.00 -1.45 0.00 0.00 41.25 40.02 3fy9 s ASN 69 CO 0.35 -0.34 -0.18 -0.69 -3.72 0.00 0.00 177.10 172.53 3fy9 s VAL 70 N 2.37 1.73 -0.36 -5.21 1.01 -1.26 -5.08 120.40 113.59 3fy9 s VAL 70 Ca 0.09 -0.78 -0.43 0.00 0.00 0.00 0.00 61.98 60.86 3fy9 s VAL 70 Cb -0.15 -1.56 -0.17 0.00 0.00 0.00 0.00 36.38 34.49 3fy9 s VAL 70 CO -0.18 0.49 1.71 -0.62 0.00 0.00 0.00 175.10 176.49 3fy9 n GLU 71 N 4.22 0.73 -0.27 2.72 -0.58 -1.26 -1.17 120.64 125.04 3fy9 n GLU 71 Ca -0.19 0.27 0.00 0.00 -0.42 0.00 0.00 57.16 56.81 3fy9 n GLU 71 Cb 0.51 -1.89 0.00 0.00 -0.57 0.00 0.00 31.44 29.49 3fy9 n GLU 71 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3fy9 n GLY 72 N 4.21 0.73 3.23 0.62 0.00 -1.26 -4.81 105.19 107.91 3fy9 n GLY 72 Ca 0.29 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.02 3fy9 n GLY 72 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fy9 s VAL 73 N -2.31 1.76 -0.19 1.61 1.01 -0.32 -4.44 120.40 117.52 3fy9 s VAL 73 Ca 0.00 -0.93 -0.08 0.00 0.00 0.00 0.00 61.98 60.96 3fy9 s VAL 73 Cb 0.00 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 3fy9 s VAL 73 CO 0.00 0.50 0.09 -1.81 0.00 0.00 0.00 175.10 173.88 3fy9 s ASP 74 N -0.33 5.83 0.19 3.32 -0.00 -0.30 -4.60 116.67 120.79 3fy9 s ASP 74 Ca 0.03 0.12 -0.12 0.00 -0.00 0.00 0.00 52.55 52.58 3fy9 s ASP 74 Cb -0.10 -2.01 -0.07 0.00 -0.00 0.00 0.00 42.92 40.73 3fy9 s ASP 74 CO 0.01 0.16 0.55 0.54 -0.00 0.00 0.00 175.17 176.43 3fy9 s VAL 75 N 0.47 4.89 0.10 -1.27 0.11 -1.26 -0.98 120.40 122.45 3fy9 s VAL 75 Ca 0.05 0.65 -0.04 0.00 -2.93 0.00 0.00 61.98 59.72 3fy9 s VAL 75 Cb -0.12 -3.67 -0.03 0.00 -1.53 0.00 0.00 36.38 31.03 3fy9 s VAL 75 CO 0.00 0.08 0.08 0.27 -3.33 0.00 0.00 175.10 172.20 3fy9 s ILE 76 N -1.65 0.15 0.00 7.04 -4.36 -0.26 -4.87 121.20 117.25 3fy9 s ILE 76 Ca 0.43 -1.65 0.00 0.00 -0.26 0.00 0.00 60.65 59.17 3fy9 s ILE 76 Cb -0.13 -1.67 0.00 0.00 1.25 0.00 0.00 42.46 41.91 3fy9 s ILE 76 CO 0.20 -0.68 0.16 1.41 0.24 0.00 0.00 174.94 176.27 3fy9 n HIS 77 N -0.03 0.00 -4.19 1.37 8.25 -1.26 -1.33 115.22 118.03 3fy9 n HIS 77 Ca -0.11 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.20 3fy9 n HIS 77 Cb 0.62 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.62 3fy9 n HIS 77 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3fy9 s SER 78 N -0.03 1.53 0.45 0.41 1.04 -1.26 -4.81 113.70 111.03 3fy9 s SER 78 Ca 0.00 -0.81 0.25 0.00 0.48 0.00 0.00 55.95 55.87 3fy9 s SER 78 Cb 0.00 -0.00 1.27 0.00 0.10 0.00 0.00 66.02 67.39 3fy9 s SER 78 CO 0.00 -0.25 1.79 0.40 0.98 0.00 0.00 173.24 176.17 3fy9 h ILE 79 N 3.56 0.50 -0.07 -1.02 1.08 -2.01 -2.78 117.51 116.76 3fy9 h ILE 79 Ca -0.38 -0.08 -0.09 0.00 -0.39 0.00 0.00 64.86 63.92 3fy9 h ILE 79 Cb 1.19 0.23 -0.01 0.00 -3.07 0.00 0.00 36.82 35.16 3fy9 h ILE 79 CO 0.53 0.04 -0.38 -0.33 -0.69 0.00 0.00 178.15 177.32 3fy9 h GLU 80 N 0.24 0.14 0.00 2.37 4.39 -2.02 -2.55 114.58 117.16 3fy9 h GLU 80 Ca 0.57 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 60.20 3fy9 h GLU 80 Cb 1.73 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.37 3fy9 h GLU 80 CO -0.18 0.51 0.00 -0.44 -1.16 0.00 0.00 179.01 177.74 3fy9 h ASP 81 N 0.12 0.00 -0.48 1.42 3.32 -1.91 -2.15 116.42 116.74 3fy9 h ASP 81 Ca 0.01 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.00 3fy9 h ASP 81 Cb 0.73 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.27 3fy9 h ASP 81 CO 0.06 0.00 0.06 0.40 -1.72 0.00 0.00 179.24 178.03 3fy9 h ILE 82 N 0.00 1.25 0.00 0.35 2.04 -1.63 -2.88 117.51 116.64 3fy9 h ILE 82 Ca 0.00 -0.96 0.00 0.00 1.00 0.00 0.00 64.86 64.90 3fy9 h ILE 82 Cb 0.08 0.94 0.00 0.00 -0.74 0.00 0.00 36.82 37.10 3fy9 h ILE 82 CO 0.00 0.34 0.00 -1.22 0.00 0.00 0.00 178.15 177.27 3fy9 n TYR 83 N -4.41 0.00 0.09 1.37 4.01 -0.81 -1.96 117.16 115.45 3fy9 n TYR 83 Ca 0.01 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.79 3fy9 n TYR 83 Cb 0.27 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.23 3fy9 n TYR 83 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 3fy9 n GLN 84 N -0.96 1.13 -1.89 -0.72 3.00 -1.09 -4.99 117.38 111.87 3fy9 n GLN 84 Ca 0.10 -0.06 -0.41 0.00 -0.01 0.00 0.00 57.00 56.61 3fy9 n GLN 84 Cb 0.04 -1.15 -0.01 0.00 0.00 0.00 0.00 30.24 29.12 3fy9 n GLN 84 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 3fy9 s LEU 85 N -3.36 4.36 0.41 1.08 1.43 -0.83 -4.99 118.68 116.78 3fy9 s LEU 85 Ca -0.02 2.90 -0.26 0.00 -1.03 0.00 0.00 54.13 55.72 3fy9 s LEU 85 Cb 0.06 -3.65 -0.09 0.00 0.03 0.00 0.00 46.19 42.54 3fy9 s LEU 85 CO 0.37 -0.79 1.32 -2.84 0.23 0.00 0.00 176.35 174.65 3fy9 s PRO 86 N -1.42 3.95 1.05 1.29 0.02 -1.26 -4.97 135.00 133.65 3fy9 s PRO 86 Ca 0.55 2.20 0.00 0.00 0.02 0.00 0.00 61.00 63.77 3fy9 s PRO 86 Cb -0.45 -2.76 0.00 0.00 0.02 0.00 0.00 34.50 31.32 3fy9 s PRO 86 CO 0.55 -0.53 0.00 0.41 -0.33 0.00 0.00 177.00 177.10 3fy9 n GLY 87 N 0.65 -0.61 3.53 0.52 0.00 -1.26 -4.75 105.19 103.27 3fy9 n GLY 87 Ca 0.04 -1.60 -0.43 0.00 0.00 0.00 0.00 46.02 44.03 3fy9 n GLY 87 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3fy9 s HIS 88 N 0.00 3.05 -0.28 1.61 5.65 -1.26 -3.35 115.29 120.71 3fy9 s HIS 88 Ca 0.00 0.08 -0.09 0.00 0.25 0.00 0.00 55.06 55.30 3fy9 s HIS 88 Cb 0.00 -3.42 -0.02 0.00 -1.18 0.00 0.00 32.58 27.95 3fy9 s HIS 88 CO 0.00 -0.87 0.14 0.08 -0.65 0.00 0.00 174.74 173.44 3fy9 s VAL 89 N 2.96 4.70 -0.28 0.89 1.01 -0.52 -2.34 120.40 126.82 3fy9 s VAL 89 Ca 0.25 -0.19 -0.17 0.00 0.00 0.00 0.00 61.98 61.87 3fy9 s VAL 89 Cb -0.13 -3.30 -0.03 0.00 0.00 0.00 0.00 36.38 32.92 3fy9 s VAL 89 CO 0.20 0.19 0.45 -0.36 0.00 0.00 0.00 175.10 175.58 3fy9 s PHE 90 N 1.65 3.24 -0.37 5.22 0.08 -0.04 -0.96 117.98 126.80 3fy9 s PHE 90 Ca 0.06 0.44 -0.28 0.00 0.12 0.00 0.00 56.93 57.27 3fy9 s PHE 90 Cb -0.16 -2.70 -0.01 0.00 -0.57 0.00 0.00 43.02 39.59 3fy9 s PHE 90 CO 0.07 -0.31 1.66 0.42 -0.10 0.00 0.00 175.22 176.96 3fy9 s ILE 91 N 2.22 3.62 -0.83 0.64 -1.09 0.19 -1.17 121.20 124.77 3fy9 s ILE 91 Ca 0.18 0.63 0.22 0.00 -2.23 0.00 0.00 60.65 59.45 3fy9 s ILE 91 Cb -0.16 -3.85 -0.20 0.00 -1.58 0.00 0.00 42.46 36.67 3fy9 s ILE 91 CO 0.10 -0.55 0.93 0.33 -1.23 0.00 0.00 174.94 174.52 3fy9 n PHE 92 N 9.81 0.04 0.00 3.97 -0.00 0.11 -1.92 117.46 129.47 3fy9 n PHE 92 Ca 0.20 0.01 0.00 0.00 -0.00 0.00 0.00 57.45 57.67 3fy9 n PHE 92 Cb 0.47 -0.15 0.00 0.00 -0.00 0.00 0.00 39.48 39.80 3fy9 n PHE 92 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3fy9 n GLY 93 N 1.45 3.82 0.00 7.13 0.00 -1.26 -4.92 105.19 111.42 3fy9 n GLY 93 Ca 0.03 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.35 3fy9 n GLY 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fy9 n GLY 94 N -1.66 4.41 0.26 -0.02 0.00 -1.26 -0.95 105.19 105.97 3fy9 n GLY 94 Ca 0.00 -1.44 0.04 0.00 0.00 0.00 0.00 46.02 44.62 3fy9 n GLY 94 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3fy9 h GLN 95 N 0.00 0.29 0.01 1.61 4.15 -1.99 -1.42 115.11 117.76 3fy9 h GLN 95 Ca 0.00 -0.02 -0.22 0.00 0.77 0.00 0.00 58.65 59.18 3fy9 h GLN 95 Cb 0.00 -0.06 0.02 0.00 0.21 0.00 0.00 27.48 27.64 3fy9 h GLN 95 CO 0.00 0.19 -0.88 1.79 -1.93 0.00 0.00 178.83 178.00 3fy9 h THR 96 N 0.29 1.34 -0.70 2.39 1.35 -1.94 -1.80 112.91 113.85 3fy9 h THR 96 Ca 0.38 -2.20 0.14 0.00 -0.55 0.00 0.00 66.41 64.18 3fy9 h THR 96 Cb 0.62 2.51 -0.10 0.00 -1.73 0.00 0.00 68.15 69.44 3fy9 h THR 96 CO -0.46 0.66 0.18 -0.07 -0.25 0.00 0.00 175.52 175.59 3fy9 h LEU 97 N 0.17 0.05 -0.34 3.87 -0.00 -1.74 -0.26 115.31 117.06 3fy9 h LEU 97 Ca -0.11 0.13 -0.04 0.00 -0.00 0.00 0.00 57.88 57.85 3fy9 h LEU 97 Cb 1.56 0.17 -0.01 0.00 -0.00 0.00 0.00 40.66 42.37 3fy9 h LEU 97 CO 0.17 0.00 0.05 1.88 -0.00 0.00 0.00 178.44 180.54 3fy9 h TYR 98 N 0.29 0.61 -0.55 1.13 0.05 -0.99 0.43 116.97 117.94 3fy9 h TYR 98 Ca 0.38 -0.09 0.10 0.00 0.05 0.00 0.00 58.73 59.18 3fy9 h TYR 98 Cb 0.62 -0.17 -0.08 0.00 1.01 0.00 0.00 36.73 38.11 3fy9 h TYR 98 CO -0.24 0.64 0.10 0.93 -1.05 0.00 0.00 178.16 178.54 3fy9 h GLU 99 N 0.40 0.23 0.00 4.88 5.08 -0.90 -0.86 114.58 123.41 3fy9 h GLU 99 Ca 0.10 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3fy9 h GLU 99 Cb 0.37 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.56 3fy9 h GLU 99 CO 0.01 0.15 0.00 0.93 -1.00 0.00 0.00 179.01 179.10 3fy9 h GLU 100 N 0.24 0.00 0.00 2.33 5.08 -0.69 -3.34 114.58 118.20 3fy9 h GLU 100 Ca 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 3fy9 h GLU 100 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 3fy9 h GLU 100 CO -0.38 0.00 -1.43 -1.33 -1.00 0.00 0.00 179.01 174.87 3fy9 n MET 101 N -2.58 0.75 0.26 2.33 2.81 0.11 -4.72 117.12 116.08 3fy9 n MET 101 Ca 0.04 -0.10 0.16 0.00 -1.81 0.00 0.00 57.70 56.00 3fy9 n MET 101 Cb 0.43 -1.27 0.58 0.00 -0.71 0.00 0.00 33.22 32.25 3fy9 n MET 101 CO 0.00 0.00 0.00 0.97 1.51 0.00 0.00 175.97 178.45 3fy9 h ILE 102 N 0.00 0.00 -0.04 2.02 2.10 -1.30 0.20 117.51 120.49 3fy9 h ILE 102 Ca 0.00 -0.58 0.00 0.00 1.08 0.00 0.00 64.86 65.36 3fy9 h ILE 102 Cb 0.54 1.57 0.00 0.00 -1.09 0.00 0.00 36.82 37.83 3fy9 h ILE 102 CO 0.00 0.00 0.00 0.47 -1.08 0.00 0.00 178.15 177.54 3fy9 n ASP 103 N -3.03 1.93 -0.01 2.19 10.43 -1.26 -4.23 116.55 122.57 3fy9 n ASP 103 Ca 0.01 -1.65 0.08 0.00 2.57 0.00 0.00 54.79 55.80 3fy9 n ASP 103 Cb 0.34 -0.02 -0.12 0.00 1.84 0.00 0.00 41.12 43.17 3fy9 n ASP 103 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 3fy9 n LYS 104 N 0.51 0.59 -3.30 -1.24 4.76 0.69 -5.02 118.16 115.15 3fy9 n LYS 104 Ca 0.18 -0.13 -0.35 0.00 -2.87 0.00 0.00 58.31 55.13 3fy9 n LYS 104 Cb 0.42 -1.36 -0.06 0.00 -1.84 0.00 0.00 35.03 32.19 3fy9 n LYS 104 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 3fy9 s VAL 105 N -3.03 4.79 0.10 -0.18 -7.23 -1.02 -4.99 120.40 108.84 3fy9 s VAL 105 Ca -0.05 0.92 -0.23 0.00 -1.81 0.00 0.00 61.98 60.82 3fy9 s VAL 105 Cb 0.10 -3.76 -0.13 0.00 0.56 0.00 0.00 36.38 33.16 3fy9 s VAL 105 CO 0.64 0.21 1.73 0.44 -0.31 0.00 0.00 175.10 177.81 3fy9 h ASP 106 N 3.46 -0.07 -5.36 4.85 3.32 -1.46 -3.45 116.42 117.70 3fy9 h ASP 106 Ca -0.48 0.01 -0.19 0.00 0.02 0.00 0.00 57.03 56.39 3fy9 h ASP 106 Cb 1.19 0.04 -0.06 0.00 0.22 0.00 0.00 39.33 40.72 3fy9 h ASP 106 CO 0.66 -0.04 -0.06 1.51 -1.72 0.00 0.00 179.24 179.59 3fy9 s ASP 107 N -5.16 0.60 -0.02 6.45 3.84 -1.21 -2.23 116.67 118.93 3fy9 s ASP 107 Ca -0.13 -1.35 0.00 0.00 -0.00 0.00 0.00 52.55 51.07 3fy9 s ASP 107 Cb 0.07 0.71 0.02 0.00 -1.38 0.00 0.00 42.92 42.34 3fy9 s ASP 107 CO 0.66 -1.39 0.01 -0.04 -0.00 0.00 0.00 175.17 174.42 3fy9 s MET 108 N -2.95 0.15 -0.69 2.11 -1.94 -0.21 -1.93 119.30 113.83 3fy9 s MET 108 Ca 0.26 0.10 -0.17 0.00 -1.71 0.00 0.00 55.69 54.17 3fy9 s MET 108 Cb -0.02 -0.34 0.15 0.00 2.01 0.00 0.00 34.83 36.64 3fy9 s MET 108 CO 0.17 -0.12 0.72 0.71 -0.01 0.00 0.00 175.02 176.49 3fy9 s TYR 109 N 0.88 3.32 -0.16 -0.03 1.51 0.13 -0.98 117.35 122.01 3fy9 s TYR 109 Ca -0.08 -1.42 -0.11 0.00 -1.01 0.00 0.00 57.07 54.44 3fy9 s TYR 109 Cb -0.11 -3.93 -0.05 0.00 -0.11 0.00 0.00 41.96 37.76 3fy9 s TYR 109 CO -0.02 -1.15 0.21 0.42 -1.11 0.00 0.00 175.55 173.90 3fy9 s ILE 110 N 1.61 5.36 -0.26 2.71 1.01 -0.68 -1.61 121.20 129.34 3fy9 s ILE 110 Ca 0.14 0.37 -0.14 0.00 0.00 0.00 0.00 60.65 61.02 3fy9 s ILE 110 Cb -0.19 -3.54 -0.04 0.00 0.01 0.00 0.00 42.46 38.70 3fy9 s ILE 110 CO -0.01 0.45 0.33 -0.89 0.00 0.00 0.00 174.94 174.82 3fy9 s THR 111 N 0.17 5.21 -0.37 2.92 2.01 0.72 0.11 115.64 126.42 3fy9 s THR 111 Ca 0.13 0.51 -0.16 0.00 0.31 0.00 0.00 61.69 62.47 3fy9 s THR 111 Cb -0.12 -3.66 -0.00 0.00 0.01 0.00 0.00 72.50 68.73 3fy9 s THR 111 CO 0.02 0.20 0.41 -0.69 -0.69 0.00 0.00 174.62 173.87 3fy9 s VAL 112 N 1.79 5.12 -0.37 3.82 1.01 0.13 -0.92 120.40 130.99 3fy9 s VAL 112 Ca 0.14 -0.02 -0.23 0.00 0.00 0.00 0.00 61.98 61.87 3fy9 s VAL 112 Cb -0.15 -3.91 0.01 0.00 0.00 0.00 0.00 36.38 32.33 3fy9 s VAL 112 CO 0.09 -0.21 0.77 -0.63 0.00 0.00 0.00 175.10 175.12 3fy9 s ILE 113 N 2.11 4.74 -1.34 2.22 -1.09 -0.27 -1.25 121.20 126.32 3fy9 s ILE 113 Ca 0.13 0.82 -0.09 0.00 -2.23 0.00 0.00 60.65 59.28 3fy9 s ILE 113 Cb -0.16 -4.20 -0.12 0.00 -1.58 0.00 0.00 42.46 36.39 3fy9 s ILE 113 CO 0.12 -0.44 3.05 -0.62 -1.23 0.00 0.00 174.94 175.83 3fy9 n GLU 114 N 6.40 3.38 -4.25 2.79 -0.58 0.03 -2.66 120.64 125.75 3fy9 n GLU 114 Ca 0.03 -1.98 -0.15 0.00 -0.42 0.00 0.00 57.16 54.63 3fy9 n GLU 114 Cb 0.48 -2.66 -0.09 0.00 -0.57 0.00 0.00 31.44 28.60 3fy9 n GLU 114 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 3fy9 s GLY 115 N 2.17 1.79 -0.25 0.62 0.00 -1.26 -4.68 107.32 105.72 3fy9 s GLY 115 Ca 0.69 -1.81 0.01 0.00 0.00 0.00 0.00 44.72 43.61 3fy9 s GLY 115 CO -0.05 -1.47 -0.10 0.54 0.00 0.00 0.00 173.10 172.02 3fy9 s LYS 116 N -3.92 2.53 0.25 2.90 1.02 -1.26 -1.91 119.74 119.35 3fy9 s LYS 116 Ca 0.39 -1.16 0.08 0.00 0.02 0.00 0.00 55.97 55.29 3fy9 s LYS 116 Cb 0.06 -2.88 -0.04 0.00 -0.52 0.00 0.00 37.83 34.45 3fy9 s LYS 116 CO 0.17 -0.47 0.15 -0.06 -0.92 0.00 0.00 175.35 174.21 3fy9 s PHE 117 N 1.20 3.01 -0.02 3.18 0.08 -1.26 -5.09 117.98 119.08 3fy9 s PHE 117 Ca -0.04 -0.13 -0.30 0.00 0.12 0.00 0.00 56.93 56.58 3fy9 s PHE 117 Cb -0.18 -1.36 -0.04 0.00 -0.57 0.00 0.00 43.02 40.88 3fy9 s PHE 117 CO -0.06 0.54 1.16 0.50 -0.10 0.00 0.00 175.22 177.26 3fy9 s ARG 118 N -3.78 4.40 0.15 0.44 6.06 -1.26 -4.99 118.95 119.98 3fy9 s ARG 118 Ca 0.32 1.65 0.02 0.00 -2.50 0.00 0.00 55.73 55.22 3fy9 s ARG 118 Cb -0.08 -3.49 -0.04 0.00 0.06 0.00 0.00 34.95 31.40 3fy9 s ARG 118 CO 0.24 -0.34 -0.02 0.20 -2.50 0.00 0.00 175.30 172.88 3fy9 s GLY 119 N 1.28 1.07 0.00 8.12 0.00 -1.26 -4.63 107.32 111.90 3fy9 s GLY 119 Ca 0.56 -1.51 0.00 0.00 0.00 0.00 0.00 44.72 43.77 3fy9 s GLY 119 CO 0.24 -1.50 0.26 2.09 0.00 0.00 0.00 173.10 174.19 3fy9 n ASP 120 N -0.17 0.52 -4.22 1.64 3.85 0.30 -4.95 116.55 113.52 3fy9 n ASP 120 Ca -0.08 -0.76 -0.16 0.00 -0.71 0.00 0.00 54.79 53.08 3fy9 n ASP 120 Cb 0.62 0.47 -0.11 0.00 -1.35 0.00 0.00 41.12 40.75 3fy9 n ASP 120 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.20 176.61 3fy9 s THR 121 N -0.47 1.16 0.03 2.12 -4.23 -1.11 -5.02 115.64 108.13 3fy9 s THR 121 Ca 0.00 -1.76 0.00 0.00 -1.18 0.00 0.00 61.69 58.75 3fy9 s THR 121 Cb 0.00 -1.53 -0.02 0.00 1.34 0.00 0.00 72.50 72.28 3fy9 s THR 121 CO 0.00 -0.53 -0.04 -0.36 -0.54 0.00 0.00 174.62 173.14 3fy9 s PHE 122 N -2.49 0.40 0.23 3.99 0.08 -1.26 -1.71 117.98 117.22 3fy9 s PHE 122 Ca 0.09 -0.60 -0.30 0.00 0.12 0.00 0.00 56.93 56.24 3fy9 s PHE 122 Cb -0.03 -0.27 -0.09 0.00 -0.57 0.00 0.00 43.02 42.06 3fy9 s PHE 122 CO 0.02 -0.19 1.01 0.12 -0.10 0.00 0.00 175.22 176.07 3fy9 s PHE 123 N -1.82 3.81 0.21 0.36 5.36 0.90 -4.73 117.98 122.07 3fy9 s PHE 123 Ca -0.11 1.81 -0.32 0.00 -0.96 0.00 0.00 56.93 57.35 3fy9 s PHE 123 Cb -0.07 -3.11 -0.15 0.00 -0.34 0.00 0.00 43.02 39.35 3fy9 s PHE 123 CO -0.02 0.03 1.25 -0.35 -1.46 0.00 0.00 175.22 174.67 3fy9 n PRO 124 N 1.61 1.51 -1.70 10.12 -0.04 -1.26 -4.89 135.00 140.35 3fy9 n PRO 124 Ca -0.01 0.54 -0.43 0.00 -0.04 0.00 0.00 63.50 63.56 3fy9 n PRO 124 Cb 0.46 -2.09 -0.02 0.00 -0.04 0.00 0.00 33.50 31.81 3fy9 n PRO 124 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 3fy9 n PRO 125 N 1.79 2.39 -4.19 0.54 -0.02 -1.26 -5.01 135.00 129.24 3fy9 n PRO 125 Ca 0.13 0.85 -0.12 0.00 -2.02 0.00 0.00 63.50 62.35 3fy9 n PRO 125 Cb 0.28 -2.60 -0.10 0.00 -0.02 0.00 0.00 33.50 31.06 3fy9 n PRO 125 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3fy9 s TYR 126 N 0.23 1.05 0.01 6.00 -0.85 -1.26 -5.16 117.35 117.37 3fy9 s TYR 126 Ca 0.69 -1.20 0.07 0.00 -0.52 0.00 0.00 57.07 56.10 3fy9 s TYR 126 Cb -0.58 -0.58 -0.02 0.00 0.38 0.00 0.00 41.96 41.16 3fy9 s TYR 126 CO 0.46 -0.45 -0.22 -0.08 -1.52 0.00 0.00 175.55 173.74 3fy9 s THR 127 N -3.95 1.72 -0.93 -3.49 -1.32 -1.26 -5.01 115.64 101.41 3fy9 s THR 127 Ca 0.28 -1.05 0.26 0.00 -1.21 0.00 0.00 61.69 59.97 3fy9 s THR 127 Cb 0.07 -1.45 0.23 0.00 -1.51 0.00 0.00 72.50 69.84 3fy9 s THR 127 CO 0.05 0.38 1.83 0.49 -2.21 0.00 0.00 174.62 175.16 3fy9 n PHE 128 N 2.25 0.22 0.28 9.09 3.72 -1.26 -1.22 117.46 130.54 3fy9 n PHE 128 Ca -0.16 0.07 0.16 0.00 -0.05 0.00 0.00 57.45 57.46 3fy9 n PHE 128 Cb 0.53 -0.61 0.77 0.00 -0.94 0.00 0.00 39.48 39.23 3fy9 n PHE 128 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 3fy9 h GLU 129 N 0.00 0.00 -0.01 -1.08 5.08 -2.03 -3.04 114.58 113.50 3fy9 h GLU 129 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3fy9 h GLU 129 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 3fy9 h GLU 129 CO 0.00 0.00 -0.49 -0.25 -1.00 0.00 0.00 179.01 177.27 3fy9 n ASP 130 N -2.64 1.45 -3.69 1.42 10.43 -0.36 -4.84 116.55 118.32 3fy9 n ASP 130 Ca -0.01 -1.23 -0.15 0.00 2.57 0.00 0.00 54.79 55.98 3fy9 n ASP 130 Cb 0.13 0.62 -0.14 0.00 1.84 0.00 0.00 41.12 43.57 3fy9 n ASP 130 CO 0.00 0.00 0.00 0.26 -1.07 0.00 0.00 177.20 176.39 3fy9 s TRP 131 N -2.19 -0.26 -0.12 1.24 0.52 -1.15 -0.53 118.94 116.45 3fy9 s TRP 131 Ca 0.12 0.71 -0.14 0.00 0.02 0.00 0.00 56.10 56.81 3fy9 s TRP 131 Cb 0.14 -0.12 -0.05 0.00 -1.15 0.00 0.00 33.47 32.29 3fy9 s TRP 131 CO 0.51 -0.27 0.32 -2.00 0.02 0.00 0.00 176.95 175.53 3fy9 s GLU 132 N 1.94 4.10 -1.04 4.98 2.12 0.12 -4.72 118.70 126.21 3fy9 s GLU 132 Ca -0.02 0.17 -0.23 0.00 0.36 0.00 0.00 54.97 55.25 3fy9 s GLU 132 Cb -0.12 -3.36 0.05 0.00 0.26 0.00 0.00 34.13 30.96 3fy9 s GLU 132 CO -0.07 0.39 1.50 0.08 -0.54 0.00 0.00 175.26 176.62 3fy9 s VAL 133 N -0.01 3.92 0.47 3.70 1.01 -1.26 -0.46 120.40 127.77 3fy9 s VAL 133 Ca 0.19 -0.85 0.16 0.00 0.00 0.00 0.00 61.98 61.48 3fy9 s VAL 133 Cb -0.14 -5.02 0.22 0.00 0.00 0.00 0.00 36.38 31.44 3fy9 s VAL 133 CO 0.06 -1.90 2.05 0.00 0.00 0.00 0.00 175.10 175.32 3fy9 h ALA 134 N 9.66 1.76 -1.54 5.51 0.00 -1.08 -3.44 119.26 130.12 3fy9 h ALA 134 Ca 0.22 -0.11 0.08 0.00 0.00 0.00 0.00 54.91 55.10 3fy9 h ALA 134 Cb 1.00 -0.02 -0.26 0.00 0.00 0.00 0.00 17.79 18.50 3fy9 h ALA 134 CO 1.42 0.15 0.51 -1.54 0.00 0.00 0.00 179.25 179.79 3fy9 s SER 135 N -6.95 -0.40 -0.07 0.00 1.04 -1.11 -4.97 113.70 101.25 3fy9 s SER 135 Ca -0.04 0.72 -0.02 0.00 0.48 0.00 0.00 55.95 57.09 3fy9 s SER 135 Cb 0.16 0.72 0.03 0.00 0.10 0.00 0.00 66.02 67.03 3fy9 s SER 135 CO 0.68 -0.16 0.03 -0.55 0.98 0.00 0.00 173.24 174.21 3fy9 s SER 136 N 0.01 1.51 -0.20 7.02 0.15 -1.26 -0.71 113.70 120.22 3fy9 s SER 136 Ca 0.03 -0.08 -0.04 0.00 0.70 0.00 0.00 55.95 56.56 3fy9 s SER 136 Cb -0.04 -0.33 0.07 0.00 -1.71 0.00 0.00 66.02 64.00 3fy9 s SER 136 CO -0.06 -0.22 0.07 -0.69 1.20 0.00 0.00 173.24 173.54 3fy9 s VAL 137 N 2.04 0.22 -0.40 4.45 1.01 -0.79 -4.99 120.40 121.95 3fy9 s VAL 137 Ca 0.05 -0.44 -0.43 0.00 0.00 0.00 0.00 61.98 61.15 3fy9 s VAL 137 Cb -0.12 -0.86 -0.17 0.00 0.00 0.00 0.00 36.38 35.22 3fy9 s VAL 137 CO -0.05 -0.31 1.79 -0.62 0.00 0.00 0.00 175.10 175.92 3fy9 n GLU 138 N 5.16 0.55 -1.74 2.72 1.02 -1.26 -1.40 120.64 125.68 3fy9 n GLU 138 Ca -0.08 0.19 -0.41 0.00 -0.02 0.00 0.00 57.16 56.85 3fy9 n GLU 138 Cb 0.47 -1.82 0.01 0.00 -0.02 0.00 0.00 31.44 30.08 3fy9 n GLU 138 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3fy9 n GLY 139 N 4.84 0.89 3.76 0.62 0.00 0.22 -4.92 105.19 110.61 3fy9 n GLY 139 Ca 0.34 0.22 -0.40 0.00 0.00 0.00 0.00 46.02 46.19 3fy9 n GLY 139 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fy9 s LYS 140 N -2.26 4.53 -0.10 1.61 1.02 -1.26 -4.65 119.74 118.62 3fy9 s LYS 140 Ca 0.59 1.11 -0.10 0.00 0.02 0.00 0.00 55.97 57.59 3fy9 s LYS 140 Cb -0.48 -3.31 -0.05 0.00 -0.52 0.00 0.00 37.83 33.47 3fy9 s LYS 140 CO 0.59 0.43 0.22 -0.51 -0.92 0.00 0.00 175.35 175.16 3fy9 s LEU 141 N -0.62 4.38 0.00 3.17 1.43 -1.26 -4.92 118.68 120.87 3fy9 s LEU 141 Ca 0.37 0.57 0.00 0.00 -1.03 0.00 0.00 54.13 54.04 3fy9 s LEU 141 Cb -0.22 -2.22 0.00 0.00 0.03 0.00 0.00 46.19 43.78 3fy9 s LEU 141 CO 0.25 0.34 0.00 -0.90 0.23 0.00 0.00 176.35 176.27 3fy9 n ASP 142 N 2.23 0.68 -0.15 2.29 5.75 -0.31 -4.96 116.55 122.08 3fy9 n ASP 142 Ca -0.17 -0.12 -0.10 0.00 -0.01 0.00 0.00 54.79 54.39 3fy9 n ASP 142 Cb 0.54 0.00 -0.00 0.00 -1.03 0.00 0.00 41.12 40.62 3fy9 n ASP 142 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 3fy9 h GLU 143 N 0.00 0.73 0.00 0.11 4.81 -1.99 -2.87 114.58 115.38 3fy9 h GLU 143 Ca 0.00 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 59.03 3fy9 h GLU 143 Cb 0.00 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.30 3fy9 h GLU 143 CO 0.00 0.77 0.00 1.63 -0.73 0.00 0.00 179.01 180.68 3fy9 n LYS 144 N -4.47 0.40 -3.29 1.92 5.02 -1.26 -4.27 118.16 112.21 3fy9 n LYS 144 Ca 0.00 0.04 -0.20 0.00 -2.02 0.00 0.00 58.31 56.14 3fy9 n LYS 144 Cb 0.25 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.68 3fy9 n LYS 144 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3fy9 s ASN 145 N -2.52 1.02 -0.00 4.39 0.01 -1.09 -4.39 114.94 112.37 3fy9 s ASN 145 Ca 0.25 -2.19 0.08 0.00 -0.71 0.00 0.00 52.86 50.29 3fy9 s ASN 145 Cb 0.17 0.33 -0.09 0.00 0.41 0.00 0.00 41.25 42.07 3fy9 s ASN 145 CO 0.38 -0.20 0.31 0.35 -1.51 0.00 0.00 177.10 176.43 3fy9 n THR 146 N 3.53 0.00 -3.33 1.60 -2.24 -1.23 -1.16 114.28 111.45 3fy9 n THR 146 Ca 0.19 -0.30 -0.38 0.00 -2.27 0.00 0.00 64.05 61.29 3fy9 n THR 146 Cb 0.47 0.91 -0.06 0.00 -2.10 0.00 0.00 70.33 69.55 3fy9 n THR 146 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3fy9 s ILE 147 N -1.83 5.17 0.30 2.28 1.09 -1.26 -5.02 121.20 121.93 3fy9 s ILE 147 Ca 0.02 0.94 -0.30 0.00 -1.10 0.00 0.00 60.65 60.21 3fy9 s ILE 147 Cb 0.06 -3.81 -0.12 0.00 -1.06 0.00 0.00 42.46 37.53 3fy9 s ILE 147 CO 0.32 0.35 1.48 -2.65 -0.10 0.00 0.00 174.94 174.34 3fy9 n PRO 148 N 3.50 2.44 -3.69 2.79 -0.02 -1.26 -4.91 135.00 133.85 3fy9 n PRO 148 Ca -0.08 0.86 -0.14 0.00 -2.02 0.00 0.00 63.50 62.12 3fy9 n PRO 148 Cb 0.52 -2.57 -0.08 0.00 -0.02 0.00 0.00 33.50 31.34 3fy9 n PRO 148 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 3fy9 s HIS 149 N -0.42 -0.40 -0.06 6.00 -3.43 -1.26 -0.79 115.29 114.94 3fy9 s HIS 149 Ca 0.61 0.76 0.02 0.00 -0.80 0.00 0.00 55.06 55.66 3fy9 s HIS 149 Cb -0.54 0.20 0.01 0.00 -1.43 0.00 0.00 32.58 30.82 3fy9 s HIS 149 CO 0.54 -0.41 -0.12 0.99 -2.00 0.00 0.00 174.74 173.74 3fy9 s THR 150 N -0.86 1.10 -0.49 -5.38 2.01 -0.38 0.71 115.64 112.35 3fy9 s THR 150 Ca -0.09 -0.46 -0.25 0.00 0.31 0.00 0.00 61.69 61.19 3fy9 s THR 150 Cb -0.03 -1.00 0.03 0.00 0.01 0.00 0.00 72.50 71.50 3fy9 s THR 150 CO 0.05 0.35 0.95 -0.36 -0.69 0.00 0.00 174.62 174.91 3fy9 s PHE 151 N 0.64 2.88 -0.03 4.92 0.08 -0.49 -0.69 117.98 125.28 3fy9 s PHE 151 Ca -0.14 0.31 -0.13 0.00 0.12 0.00 0.00 56.93 57.09 3fy9 s PHE 151 Cb -0.15 -4.03 -0.05 0.00 -0.57 0.00 0.00 43.02 38.21 3fy9 s PHE 151 CO 0.03 -1.18 0.35 -0.51 -0.10 0.00 0.00 175.22 173.82 3fy9 s LEU 152 N 3.87 4.45 -0.21 -0.37 1.43 0.12 -1.89 118.68 126.08 3fy9 s LEU 152 Ca 0.36 0.85 -0.00 0.00 -1.03 0.00 0.00 54.13 54.31 3fy9 s LEU 152 Cb -0.10 -2.48 0.02 0.00 0.03 0.00 0.00 46.19 43.66 3fy9 s LEU 152 CO 0.25 0.33 -0.14 -2.28 0.23 0.00 0.00 176.35 174.73 3fy9 s HIS 153 N -0.98 2.91 -0.09 0.29 5.65 0.11 -1.69 115.29 121.49 3fy9 s HIS 153 Ca 0.22 -1.59 0.00 0.00 0.25 0.00 0.00 55.06 53.94 3fy9 s HIS 153 Cb -0.16 -1.97 -0.03 0.00 -1.18 0.00 0.00 32.58 29.24 3fy9 s HIS 153 CO 0.11 -0.76 -0.08 -0.51 -0.65 0.00 0.00 174.74 172.85 3fy9 s LEU 154 N 1.31 3.10 -0.03 8.88 1.43 -0.15 -0.39 118.68 132.82 3fy9 s LEU 154 Ca 0.03 -0.09 0.06 0.00 -1.03 0.00 0.00 54.13 53.10 3fy9 s LEU 154 Cb -0.15 -1.69 -0.02 0.00 0.03 0.00 0.00 46.19 44.37 3fy9 s LEU 154 CO -0.09 0.31 -0.20 -0.63 0.23 0.00 0.00 176.35 175.96 3fy9 s ILE 155 N -0.48 2.53 0.18 -0.59 1.01 0.39 -1.04 121.20 123.20 3fy9 s ILE 155 Ca 0.07 -0.93 -0.32 0.00 0.00 0.00 0.00 60.65 59.47 3fy9 s ILE 155 Cb -0.12 -1.94 -0.11 0.00 0.01 0.00 0.00 42.46 40.30 3fy9 s ILE 155 CO 0.02 0.58 1.70 -0.60 0.00 0.00 0.00 174.94 176.65 3fy9 s ARG 156 N -0.67 4.15 0.00 2.79 3.52 -0.95 0.15 118.95 127.94 3fy9 s ARG 156 Ca 0.11 2.54 0.15 0.00 -0.13 0.00 0.00 55.73 58.40 3fy9 s ARG 156 Cb -0.10 -3.19 0.91 0.00 -1.56 0.00 0.00 34.95 31.01 3fy9 s ARG 156 CO -0.00 -0.73 1.33 1.63 -0.81 0.00 0.00 175.30 176.71