#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fy6 s GLU 3 N 0.00 1.88 -0.14 -0.78 2.12 -1.26 -0.15 118.70 120.36 3fy6 s GLU 3 Ca 0.00 -0.55 0.01 0.00 0.36 0.00 0.00 54.97 54.80 3fy6 s GLU 3 Cb 0.00 -1.56 0.00 0.00 0.26 0.00 0.00 34.13 32.83 3fy6 s GLU 3 CO 0.00 0.14 -0.18 0.08 -0.54 0.00 0.00 175.26 174.75 3fy6 s VAL 4 N 0.35 2.42 -0.27 3.70 1.01 0.49 -4.97 120.40 123.14 3fy6 s VAL 4 Ca -0.10 -0.86 -0.13 0.00 0.00 0.00 0.00 61.98 60.89 3fy6 s VAL 4 Cb -0.14 -1.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.20 3fy6 s VAL 4 CO 0.04 0.53 0.26 0.20 0.00 0.00 0.00 175.10 176.13 3fy6 s ASN 5 N 0.71 6.14 0.01 3.32 -0.87 -1.26 -0.37 114.94 122.61 3fy6 s ASN 5 Ca -0.08 0.14 0.04 0.00 -1.57 0.00 0.00 52.86 51.39 3fy6 s ASN 5 Cb -0.16 -2.16 -0.03 0.00 -0.02 0.00 0.00 41.25 38.88 3fy6 s ASN 5 CO 0.01 -0.08 -0.09 -0.76 -2.57 0.00 0.00 177.10 173.61 3fy6 s LEU 6 N 1.76 3.05 -0.37 0.60 1.43 0.16 -4.95 118.68 120.35 3fy6 s LEU 6 Ca 0.11 -0.20 -0.05 0.00 -1.03 0.00 0.00 54.13 52.96 3fy6 s LEU 6 Cb -0.16 -1.75 0.07 0.00 0.03 0.00 0.00 46.19 44.38 3fy6 s LEU 6 CO 0.10 0.28 0.14 0.20 0.23 0.00 0.00 176.35 177.30 3fy6 s ASN 7 N -1.40 5.25 -0.23 2.29 0.02 -1.26 -0.59 114.94 119.02 3fy6 s ASN 7 Ca 0.16 -1.53 -0.05 0.00 -1.02 0.00 0.00 52.86 50.42 3fy6 s ASN 7 Cb -0.11 -1.84 -0.02 0.00 0.02 0.00 0.00 41.25 39.30 3fy6 s ASN 7 CO 0.07 -0.42 0.01 -0.63 0.02 0.00 0.00 177.10 176.15 3fy6 s ILE 8 N 1.29 3.82 0.08 0.60 -1.09 0.33 -4.85 121.20 121.37 3fy6 s ILE 8 Ca 0.01 -0.34 -0.31 0.00 -2.23 0.00 0.00 60.65 57.79 3fy6 s ILE 8 Cb -0.21 -2.76 -0.07 0.00 -1.58 0.00 0.00 42.46 37.84 3fy6 s ILE 8 CO -0.01 0.39 1.32 -0.47 -1.23 0.00 0.00 174.94 174.94 3fy6 s TYR 9 N 1.50 3.27 -0.22 3.97 5.04 -1.26 0.50 117.35 130.15 3fy6 s TYR 9 Ca 0.06 1.06 0.02 0.00 -2.44 0.00 0.00 57.07 55.77 3fy6 s TYR 9 Cb -0.15 -3.58 0.04 0.00 0.35 0.00 0.00 41.96 38.62 3fy6 s TYR 9 CO 0.00 -1.99 -0.14 0.45 -1.34 0.00 0.00 175.55 172.53 3fy6 s SER 10 N 1.19 3.85 0.61 4.32 0.15 -0.08 -4.87 113.70 118.87 3fy6 s SER 10 Ca 0.62 -1.01 0.39 0.00 0.70 0.00 0.00 55.95 56.65 3fy6 s SER 10 Cb -0.33 -1.53 1.95 0.00 -1.71 0.00 0.00 66.02 64.39 3fy6 s SER 10 CO 0.29 -0.10 2.20 -0.65 1.20 0.00 0.00 173.24 176.19 3fy6 h PRO 11 N 7.87 0.00 -0.03 5.44 0.11 -1.81 0.15 132.00 143.74 3fy6 h PRO 11 Ca -0.33 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.62 3fy6 h PRO 11 Cb 1.09 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 3fy6 h PRO 11 CO 0.55 0.01 -0.72 -0.09 -0.21 0.00 0.00 178.00 177.55 3fy6 h ARG 12 N 0.00 0.17 -0.03 1.05 2.43 -1.87 -3.29 114.38 112.83 3fy6 h ARG 12 Ca -0.00 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 3fy6 h ARG 12 Cb 0.22 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 3fy6 h ARG 12 CO 0.00 0.81 0.00 0.91 -1.51 0.00 0.00 179.97 180.19 3fy6 n TRP 13 N -3.76 0.03 -3.58 2.20 7.02 -0.90 -5.01 117.44 113.44 3fy6 n TRP 13 Ca -0.02 -0.04 -0.26 0.00 -1.02 0.00 0.00 57.50 56.16 3fy6 n TRP 13 Cb 0.70 -0.00 0.05 0.00 -2.42 0.00 0.00 31.31 29.63 3fy6 n TRP 13 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3fy6 n GLY 14 N 0.43 -0.52 3.60 6.99 0.00 0.48 -4.96 105.19 111.21 3fy6 n GLY 14 Ca 0.05 0.20 -0.08 0.00 0.00 0.00 0.00 46.02 46.19 3fy6 n GLY 14 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3fy6 s ARG 15 N -6.29 1.18 -0.25 1.61 1.70 -1.15 -5.00 118.95 110.75 3fy6 s ARG 15 Ca 0.55 -0.54 -0.29 0.00 -0.47 0.00 0.00 55.73 54.98 3fy6 s ARG 15 Cb -0.26 0.48 0.00 0.00 -0.57 0.00 0.00 34.95 34.60 3fy6 s ARG 15 CO 0.68 -0.53 1.21 -1.01 -1.08 0.00 0.00 175.30 174.57 3fy6 s HIS 16 N -3.45 2.92 0.19 5.89 3.76 -1.26 -0.90 115.29 122.45 3fy6 s HIS 16 Ca 0.07 1.07 -0.24 0.00 -0.15 0.00 0.00 55.06 55.80 3fy6 s HIS 16 Cb -0.02 -3.63 -0.08 0.00 1.11 0.00 0.00 32.58 29.96 3fy6 s HIS 16 CO -0.05 -1.36 0.78 -1.21 -0.85 0.00 0.00 174.74 172.06 3fy6 s GLU 17 N 3.69 4.51 -0.30 1.40 0.41 0.18 -4.73 118.70 123.86 3fy6 s GLU 17 Ca 0.52 1.11 -0.22 0.00 -0.41 0.00 0.00 54.97 55.97 3fy6 s GLU 17 Cb -0.17 -3.14 -0.00 0.00 -1.78 0.00 0.00 34.13 29.03 3fy6 s GLU 17 CO 0.16 0.51 0.71 0.99 -0.49 0.00 0.00 175.26 177.14 3fy6 s THR 18 N -1.27 4.87 -0.25 3.63 2.01 -1.26 -0.52 115.64 122.85 3fy6 s THR 18 Ca 0.38 1.05 -0.10 0.00 0.31 0.00 0.00 61.69 63.33 3fy6 s THR 18 Cb -0.21 -4.07 -0.05 0.00 0.01 0.00 0.00 72.50 68.18 3fy6 s THR 18 CO 0.25 -0.18 0.15 -0.31 -0.69 0.00 0.00 174.62 173.83 3fy6 s TYR 19 N 2.78 3.24 -0.32 4.92 1.51 0.24 -4.47 117.35 125.25 3fy6 s TYR 19 Ca 0.29 0.08 -0.12 0.00 -1.01 0.00 0.00 57.07 56.31 3fy6 s TYR 19 Cb -0.15 -2.29 -0.03 0.00 -0.11 0.00 0.00 41.96 39.39 3fy6 s TYR 19 CO 0.12 -0.07 0.22 0.42 -1.11 0.00 0.00 175.55 175.13 3fy6 s ILE 20 N 1.33 5.28 -0.31 2.71 1.01 0.89 -0.67 121.20 131.44 3fy6 s ILE 20 Ca 0.07 -0.08 -0.13 0.00 0.00 0.00 0.00 60.65 60.51 3fy6 s ILE 20 Cb -0.15 -3.64 -0.03 0.00 0.01 0.00 0.00 42.46 38.65 3fy6 s ILE 20 CO 0.06 0.08 0.26 -0.69 0.00 0.00 0.00 174.94 174.66 3fy6 s VAL 21 N 1.73 5.26 -0.30 2.92 1.01 0.50 -0.40 120.40 131.12 3fy6 s VAL 21 Ca 0.06 0.10 -0.10 0.00 0.00 0.00 0.00 61.98 62.04 3fy6 s VAL 21 Cb -0.17 -3.66 -0.02 0.00 0.00 0.00 0.00 36.38 32.53 3fy6 s VAL 21 CO 0.11 0.10 0.17 -1.61 0.00 0.00 0.00 175.10 173.87 3fy6 s GLU 22 N 1.84 3.54 -0.24 2.72 2.02 0.98 -0.38 118.70 129.18 3fy6 s GLU 22 Ca 0.09 -0.59 -0.10 0.00 0.02 0.00 0.00 54.97 54.39 3fy6 s GLU 22 Cb -0.16 -3.61 -0.05 0.00 0.10 0.00 0.00 34.13 30.41 3fy6 s GLU 22 CO 0.11 -0.34 0.14 -0.51 0.02 0.00 0.00 175.26 174.68 3fy6 s LEU 23 N 1.67 3.97 0.29 1.80 1.43 0.78 -1.07 118.68 127.54 3fy6 s LEU 23 Ca 0.06 0.04 0.06 0.00 -1.03 0.00 0.00 54.13 53.25 3fy6 s LEU 23 Cb -0.17 -2.07 -0.06 0.00 0.03 0.00 0.00 46.19 43.93 3fy6 s LEU 23 CO 0.08 0.04 -0.02 -1.00 0.23 0.00 0.00 176.35 175.67 3fy6 s HIS 24 N 1.20 1.91 0.20 0.29 3.76 -0.40 -1.55 115.29 120.70 3fy6 s HIS 24 Ca 0.07 -0.78 -0.11 0.00 -0.15 0.00 0.00 55.06 54.08 3fy6 s HIS 24 Cb -0.14 -1.14 0.15 0.00 1.11 0.00 0.00 32.58 32.56 3fy6 s HIS 24 CO 0.05 0.18 1.85 -0.22 -0.85 0.00 0.00 174.74 175.75 3fy6 h LYS 25 N 2.26 0.82 0.00 1.40 1.63 -1.98 -3.20 116.57 117.49 3fy6 h LYS 25 Ca -0.40 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.35 3fy6 h LYS 25 Cb 1.23 -0.18 0.00 0.00 -0.60 0.00 0.00 32.23 32.68 3fy6 h LYS 25 CO 0.68 0.54 -1.02 -0.25 -3.45 0.00 0.00 179.45 175.95 3fy6 n ASP 26 N -4.67 0.62 0.00 4.20 8.00 -1.26 -4.86 116.55 118.58 3fy6 n ASP 26 Ca 0.06 -0.10 0.00 0.00 0.71 0.00 0.00 54.79 55.47 3fy6 n ASP 26 Cb 0.06 0.73 0.00 0.00 -0.02 0.00 0.00 41.12 41.89 3fy6 n ASP 26 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3fy6 n TYR 27 N -2.08 0.00 -3.58 1.24 4.11 -1.21 -0.25 117.16 115.40 3fy6 n TYR 27 Ca 0.02 0.00 -0.12 0.00 -0.00 0.00 0.00 57.90 57.80 3fy6 n TYR 27 Cb 0.46 0.00 -0.06 0.00 -0.00 0.00 0.00 39.34 39.74 3fy6 n TYR 27 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.86 175.65 3fy6 s GLU 29 N 1.97 0.68 -0.11 -3.48 2.02 -0.23 -1.27 118.70 118.27 3fy6 s GLU 29 Ca 0.00 0.26 -0.00 0.00 0.02 0.00 0.00 54.97 55.24 3fy6 s GLU 29 Cb 0.00 0.32 0.02 0.00 0.10 0.00 0.00 34.13 34.58 3fy6 s GLU 29 CO 0.00 -0.19 -0.09 0.42 0.02 0.00 0.00 175.26 175.42 3fy6 s ILE 30 N -0.89 1.09 0.14 -1.63 1.01 -0.59 -0.01 121.20 120.31 3fy6 s ILE 30 Ca -0.03 -0.34 0.00 0.00 0.00 0.00 0.00 60.65 60.29 3fy6 s ILE 30 Cb -0.01 -1.09 0.00 0.00 0.01 0.00 0.00 42.46 41.38 3fy6 s ILE 30 CO 0.02 0.38 0.04 -1.20 0.00 0.00 0.00 174.94 174.18 3fy6 n SER 31 N 4.83 2.04 0.00 3.58 7.64 0.47 -1.63 113.62 130.54 3fy6 n SER 31 Ca -0.14 -1.55 0.00 0.00 1.01 0.00 0.00 58.87 58.19 3fy6 n SER 31 Cb 0.50 0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.76 3fy6 n SER 31 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3fy6 n GLY 33 N 3.36 0.00 0.31 0.23 0.00 -1.26 -0.08 105.19 107.75 3fy6 n GLY 33 Ca -0.04 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.12 3fy6 n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fy6 n ALA 34 N 0.00 2.79 -2.80 4.61 0.00 -1.26 -4.87 120.51 118.98 3fy6 n ALA 34 Ca 0.00 -0.39 -0.35 0.00 0.00 0.00 0.00 53.44 52.71 3fy6 n ALA 34 Cb 0.00 -1.20 -0.09 0.00 0.00 0.00 0.00 19.45 18.16 3fy6 n ALA 34 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3fy6 s VAL 35 N -2.26 4.97 -0.08 0.00 1.01 -1.26 -5.08 120.40 117.70 3fy6 s VAL 35 Ca 0.32 0.03 0.01 0.00 0.00 0.00 0.00 61.98 62.34 3fy6 s VAL 35 Cb 0.20 -3.24 0.02 0.00 0.00 0.00 0.00 36.38 33.36 3fy6 s VAL 35 CO 0.43 0.46 -0.10 -0.89 0.00 0.00 0.00 175.10 175.00 3fy6 s THR 36 N 0.31 1.01 0.23 3.92 2.01 -1.26 -4.23 115.64 117.62 3fy6 s THR 36 Ca 0.05 -0.36 0.08 0.00 0.31 0.00 0.00 61.69 61.76 3fy6 s THR 36 Cb -0.12 -0.96 -0.04 0.00 0.01 0.00 0.00 72.50 71.39 3fy6 s THR 36 CO -0.00 0.34 0.08 0.27 -0.69 0.00 0.00 174.62 174.62 3fy6 s ILE 37 N 1.02 3.97 -0.01 1.82 -4.36 -0.65 -4.97 121.20 118.02 3fy6 s ILE 37 Ca -0.08 -1.54 -0.00 0.00 -0.26 0.00 0.00 60.65 58.77 3fy6 s ILE 37 Cb -0.15 -3.09 0.01 0.00 1.25 0.00 0.00 42.46 40.48 3fy6 s ILE 37 CO -0.00 -0.28 0.01 -0.75 0.24 0.00 0.00 174.94 174.16 3fy6 s LYS 38 N -3.50 -0.01 -0.15 0.37 2.20 -1.26 -1.54 119.74 115.85 3fy6 s LYS 38 Ca 0.31 0.06 -0.00 0.00 -0.36 0.00 0.00 55.97 55.98 3fy6 s LYS 38 Cb -0.08 -0.07 -0.01 0.00 -1.51 0.00 0.00 37.83 36.16 3fy6 s LYS 38 CO 0.22 -0.05 -0.13 0.00 -0.36 0.00 0.00 175.35 175.03 3fy6 s ALA 39 N 0.33 2.60 -0.15 3.13 0.00 -1.26 -1.69 121.76 124.73 3fy6 s ALA 39 Ca -0.03 -0.97 -0.04 0.00 0.00 0.00 0.00 51.96 50.92 3fy6 s ALA 39 Cb -0.04 -1.28 -0.03 0.00 0.00 0.00 0.00 23.12 21.77 3fy6 s ALA 39 CO -0.01 0.07 -0.03 0.95 0.00 0.00 0.00 175.76 176.75 3fy6 s THR 40 N 0.64 3.98 0.26 0.00 -4.23 -0.11 -4.36 115.64 111.83 3fy6 s THR 40 Ca -0.07 -0.33 -0.29 0.00 -1.18 0.00 0.00 61.69 59.81 3fy6 s THR 40 Cb -0.15 -2.74 -0.09 0.00 1.34 0.00 0.00 72.50 70.85 3fy6 s THR 40 CO 0.03 0.50 1.15 -0.47 -0.54 0.00 0.00 174.62 175.29 3fy6 s TYR 41 N 0.23 3.47 -0.01 3.99 5.04 0.65 -0.89 117.35 129.83 3fy6 s TYR 41 Ca -0.02 1.60 0.04 0.00 -2.44 0.00 0.00 57.07 56.25 3fy6 s TYR 41 Cb -0.14 -3.37 -0.01 0.00 0.35 0.00 0.00 41.96 38.79 3fy6 s TYR 41 CO 0.03 -0.88 -0.12 -1.54 -1.34 0.00 0.00 175.55 171.69 3fy6 s SER 42 N -0.59 1.43 0.26 4.32 1.04 -1.26 -4.93 113.70 113.98 3fy6 s SER 42 Ca 0.47 -0.22 -0.02 0.00 0.48 0.00 0.00 55.95 56.66 3fy6 s SER 42 Cb -0.33 -0.17 0.43 0.00 0.10 0.00 0.00 66.02 66.05 3fy6 s SER 42 CO 0.42 0.15 1.86 -0.33 0.98 0.00 0.00 173.24 176.32 3fy6 h GLU 43 N 5.85 1.04 -0.11 4.02 4.39 -1.96 -3.15 114.58 124.65 3fy6 h GLU 43 Ca -0.33 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.31 3fy6 h GLU 43 Cb 1.17 -0.23 0.00 0.00 -0.10 0.00 0.00 28.75 29.58 3fy6 h GLU 43 CO 0.49 0.69 0.00 0.09 -1.16 0.00 0.00 179.01 179.12 3fy6 n ASN 44 N -4.57 2.26 -4.10 1.42 3.02 -1.26 -5.02 115.26 107.01 3fy6 n ASN 44 Ca 0.16 -1.95 -0.09 0.00 -0.03 0.00 0.00 54.58 52.67 3fy6 n ASN 44 Cb 0.23 -0.08 -0.10 0.00 -0.61 0.00 0.00 39.78 39.23 3fy6 n ASN 44 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3fy6 s GLN 45 N -0.96 0.85 0.70 3.52 -0.21 -1.19 -5.14 119.66 117.23 3fy6 s GLN 45 Ca 0.08 -1.33 -0.16 0.00 0.02 0.00 0.00 55.36 53.97 3fy6 s GLN 45 Cb 0.04 0.25 -0.01 0.00 1.00 0.00 0.00 33.01 34.30 3fy6 s GLN 45 CO 0.06 -0.23 0.94 -0.25 -2.12 0.00 0.00 175.29 173.68 3fy6 n ASP 46 N -0.05 0.41 -4.63 5.90 8.00 -1.26 -4.23 116.55 120.70 3fy6 n ASP 46 Ca -0.09 0.69 -0.40 0.00 0.71 0.00 0.00 54.79 55.70 3fy6 n ASP 46 Cb 0.63 -1.39 0.02 0.00 -0.02 0.00 0.00 41.12 40.36 3fy6 n ASP 46 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 3fy6 n PRO 47 N -1.63 1.36 -2.99 -0.24 -0.02 -1.26 -4.65 135.00 125.58 3fy6 n PRO 47 Ca 0.13 0.49 -0.42 0.00 -2.02 0.00 0.00 63.50 61.68 3fy6 n PRO 47 Cb 0.49 -2.14 -0.05 0.00 -0.02 0.00 0.00 33.50 31.78 3fy6 n PRO 47 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3fy6 s GLU 48 N -2.22 3.65 0.16 -0.52 2.56 -0.07 -4.86 118.70 117.40 3fy6 s GLU 48 Ca 0.66 0.16 -0.01 0.00 0.00 0.00 0.00 54.97 55.78 3fy6 s GLU 48 Cb -0.51 -3.84 -0.04 0.00 2.00 0.00 0.00 34.13 31.73 3fy6 s GLU 48 CO 0.55 -0.89 0.34 -1.58 -0.56 0.00 0.00 175.26 173.12 3fy6 s TRP 49 N 3.07 3.49 0.59 5.30 0.52 -1.26 -0.93 118.94 129.71 3fy6 s TRP 49 Ca 0.30 0.32 -0.19 0.00 0.02 0.00 0.00 56.10 56.55 3fy6 s TRP 49 Cb -0.13 -1.83 -0.05 0.00 -1.15 0.00 0.00 33.47 30.30 3fy6 s TRP 49 CO 0.18 0.44 0.94 -1.13 0.02 0.00 0.00 176.95 177.40 3fy6 n SER 50 N -0.37 0.68 0.13 2.95 3.41 -0.68 -4.93 113.62 114.82 3fy6 n SER 50 Ca -0.05 0.82 -0.00 0.00 -0.26 0.00 0.00 58.87 59.38 3fy6 n SER 50 Cb 0.53 -1.37 0.10 0.00 -0.26 0.00 0.00 64.21 63.21 3fy6 n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3fy6 h GLU 51 N 0.55 0.00 -6.37 4.33 5.08 -1.98 -3.40 114.58 112.79 3fy6 h GLU 51 Ca -0.48 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.31 3fy6 h GLU 51 Cb 1.36 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.57 3fy6 h GLU 51 CO 0.51 0.64 1.09 -2.00 -1.00 0.00 0.00 179.01 178.25 3fy6 s GLU 52 N -3.23 3.70 0.61 2.33 2.56 -1.26 -5.00 118.70 118.41 3fy6 s GLU 52 Ca 0.01 1.32 -0.06 0.00 0.00 0.00 0.00 54.97 56.24 3fy6 s GLU 52 Cb 0.10 -4.01 0.02 0.00 2.00 0.00 0.00 34.13 32.24 3fy6 s GLU 52 CO 0.76 -1.40 0.92 0.95 -0.56 0.00 0.00 175.26 175.93 3fy6 s THR 53 N 5.27 3.32 0.29 -1.70 -4.23 -1.26 -4.92 115.64 112.40 3fy6 s THR 53 Ca 0.66 -0.08 0.01 0.00 -1.18 0.00 0.00 61.69 61.09 3fy6 s THR 53 Cb -0.19 -3.34 0.28 0.00 1.34 0.00 0.00 72.50 70.59 3fy6 s THR 53 CO 0.29 -0.35 1.86 0.25 -0.54 0.00 0.00 174.62 176.13 3fy6 h LEU 54 N -0.26 0.94 -0.57 4.79 5.85 -1.94 -1.54 115.31 122.58 3fy6 h LEU 54 Ca -0.45 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.31 3fy6 h LEU 54 Cb 1.27 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 42.11 3fy6 h LEU 54 CO 0.60 0.54 0.37 1.56 -0.34 0.00 0.00 178.44 181.18 3fy6 h GLN 55 N 1.03 0.76 -0.19 1.25 7.50 -1.94 -2.93 115.11 120.58 3fy6 h GLN 55 Ca 0.46 -0.05 0.03 0.00 0.50 0.00 0.00 58.65 59.60 3fy6 h GLN 55 Cb 0.38 -0.17 -0.03 0.00 0.05 0.00 0.00 27.48 27.71 3fy6 h GLN 55 CO -0.22 0.51 -0.02 -0.44 -1.50 0.00 0.00 178.83 177.16 3fy6 h ASP 56 N 0.77 -0.11 0.00 1.46 3.32 -1.66 0.86 116.42 121.06 3fy6 h ASP 56 Ca 0.21 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.31 3fy6 h ASP 56 Cb -0.08 0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.56 3fy6 h ASP 56 CO -0.04 -0.03 0.00 2.30 -1.72 0.00 0.00 179.24 179.75 3fy6 n ILE 57 N -5.15 0.53 0.00 0.35 -5.35 -0.97 -2.66 119.36 106.11 3fy6 n ILE 57 Ca -0.03 -0.04 0.00 0.00 -0.27 0.00 0.00 62.75 62.41 3fy6 n ILE 57 Cb 0.11 -0.82 0.00 0.00 -1.74 0.00 0.00 39.64 37.19 3fy6 n ILE 57 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 3fy6 n ASN 59 N 0.97 0.00 0.25 7.28 5.03 0.29 -3.36 115.26 125.73 3fy6 n ASN 59 Ca 0.00 0.00 0.12 0.00 0.87 0.00 0.00 54.58 55.57 3fy6 n ASN 59 Cb 0.22 0.00 0.67 0.00 -1.02 0.00 0.00 39.78 39.65 3fy6 n ASN 59 CO 0.00 0.00 0.00 0.78 -1.83 0.00 0.00 177.26 176.21 3fy6 h ASN 60 N 0.00 0.00 -0.38 6.41 2.35 -1.77 0.11 115.58 122.30 3fy6 h ASN 60 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3fy6 h ASN 60 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3fy6 h ASN 60 CO 0.00 0.14 0.00 0.47 -1.65 0.00 0.00 177.43 176.39 3fy6 n ASP 61 N -3.62 2.86 -3.23 5.81 8.00 -1.21 -4.90 116.55 120.26 3fy6 n ASP 61 Ca -0.01 -2.22 -0.23 0.00 0.71 0.00 0.00 54.79 53.03 3fy6 n ASP 61 Cb 0.27 -0.42 0.04 0.00 -0.02 0.00 0.00 41.12 41.00 3fy6 n ASP 61 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3fy6 n SER 62 N 0.57 -5.93 -4.40 -2.24 7.64 0.03 -3.64 113.62 105.65 3fy6 n SER 62 Ca 0.15 -0.38 -0.33 0.00 1.01 0.00 0.00 58.87 59.32 3fy6 n SER 62 Cb 0.54 -4.77 -0.14 0.00 -1.01 0.00 0.00 64.21 58.83 3fy6 n SER 62 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3fy6 s VAL 63 N -3.20 3.08 -0.58 0.44 1.01 -1.26 -4.57 120.40 115.33 3fy6 s VAL 63 Ca 0.40 -0.67 0.04 0.00 0.00 0.00 0.00 61.98 61.75 3fy6 s VAL 63 Cb -0.18 -2.28 0.15 0.00 0.00 0.00 0.00 36.38 34.07 3fy6 s VAL 63 CO 0.49 0.54 0.34 -0.31 0.00 0.00 0.00 175.10 176.16 3fy6 s TYR 64 N 0.09 3.17 0.56 5.22 2.02 -1.26 -2.63 117.35 124.52 3fy6 s TYR 64 Ca -0.06 -3.15 -0.11 0.00 -0.37 0.00 0.00 57.07 53.38 3fy6 s TYR 64 Cb -0.15 -2.66 -0.05 0.00 -0.40 0.00 0.00 41.96 38.71 3fy6 s TYR 64 CO 0.04 -0.68 0.96 -1.25 -1.57 0.00 0.00 175.55 173.06 3fy6 s PRO 65 N -0.65 3.69 0.54 -1.71 0.05 -1.26 -4.81 135.00 130.85 3fy6 s PRO 65 Ca 0.20 0.69 -0.21 0.00 0.05 0.00 0.00 61.00 61.74 3fy6 s PRO 65 Cb -0.18 -2.16 -0.06 0.00 0.05 0.00 0.00 34.50 32.15 3fy6 s PRO 65 CO -0.06 -0.40 1.07 -2.30 0.05 0.00 0.00 177.00 175.35 3fy6 n PRO 66 N -2.29 1.21 0.24 0.56 -0.02 -1.26 -4.86 135.00 128.58 3fy6 n PRO 66 Ca 0.05 0.45 0.08 0.00 -2.02 0.00 0.00 63.50 62.06 3fy6 n PRO 66 Cb 0.54 -2.23 0.59 0.00 -0.02 0.00 0.00 33.50 32.38 3fy6 n PRO 66 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3fy6 h GLU 67 N 0.99 0.00 0.00 -0.52 4.57 -2.04 -2.19 114.58 115.38 3fy6 h GLU 67 Ca -0.48 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.70 3fy6 h GLU 67 Cb 1.34 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.93 3fy6 h GLU 67 CO 0.54 0.15 0.00 1.51 -1.18 0.00 0.00 179.01 180.03 3fy6 n ILE 68 N -4.12 0.19 -0.21 2.32 3.06 -1.26 -4.17 119.36 115.16 3fy6 n ILE 68 Ca -0.02 0.05 0.01 0.00 -2.50 0.00 0.00 62.75 60.29 3fy6 n ILE 68 Cb 0.23 -0.66 0.12 0.00 0.54 0.00 0.00 39.64 39.87 3fy6 n ILE 68 CO 0.00 0.00 0.00 0.74 -2.50 0.00 0.00 176.55 174.79 3fy6 h THR 69 N 0.00 0.67 -0.70 9.51 2.02 -1.75 -1.12 112.91 121.54 3fy6 h THR 69 Ca 0.00 -0.11 -0.05 0.00 0.77 0.00 0.00 66.41 67.02 3fy6 h THR 69 Cb 0.17 0.32 -0.03 0.00 -1.74 0.00 0.00 68.15 66.87 3fy6 h THR 69 CO 0.00 0.06 0.24 -0.61 0.37 0.00 0.00 175.52 175.57 3fy6 h GLN 70 N 0.32 1.06 -0.62 6.66 4.15 -1.84 -1.87 115.11 122.98 3fy6 h GLN 70 Ca 0.33 -0.21 -0.06 0.00 0.77 0.00 0.00 58.65 59.48 3fy6 h GLN 70 Cb 0.48 -0.16 -0.03 0.00 0.21 0.00 0.00 27.48 27.98 3fy6 h GLN 70 CO -0.39 0.90 0.13 -0.97 -1.93 0.00 0.00 178.83 176.57 3fy6 h ASN 71 N 1.03 0.93 -0.39 -0.69 -0.73 -1.57 -1.07 115.58 113.09 3fy6 h ASN 71 Ca 0.23 -0.19 0.01 0.00 1.87 0.00 0.00 56.30 58.21 3fy6 h ASN 71 Cb 0.26 -0.24 -0.02 0.00 0.27 0.00 0.00 38.32 38.59 3fy6 h ASN 71 CO -0.01 0.91 0.25 -0.07 -0.37 0.00 0.00 177.43 178.14 3fy6 h LEU 72 N 0.93 0.43 -0.59 0.34 3.38 -0.53 -0.44 115.31 118.83 3fy6 h LEU 72 Ca 0.20 -0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.21 3fy6 h LEU 72 Cb 0.36 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.96 3fy6 h LEU 72 CO 0.00 0.31 0.30 -0.26 0.09 0.00 0.00 178.44 178.88 3fy6 h PHE 73 N 0.51 0.55 -0.80 1.13 -1.00 -0.84 -1.47 116.94 115.02 3fy6 h PHE 73 Ca 0.15 0.02 0.06 0.00 2.81 0.00 0.00 57.97 61.01 3fy6 h PHE 73 Cb -0.04 -0.16 -0.06 0.00 3.61 0.00 0.00 35.95 39.30 3fy6 h PHE 73 CO -0.06 0.26 0.49 0.37 -1.61 0.00 0.00 178.31 177.76 3fy6 h GLN 74 N 0.57 0.87 0.04 1.51 4.15 -0.71 -1.67 115.11 119.87 3fy6 h GLN 74 Ca 0.27 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.63 3fy6 h GLN 74 Cb 0.18 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 27.68 3fy6 h GLN 74 CO -0.19 0.58 -0.02 1.25 -1.93 0.00 0.00 178.83 178.52 3fy6 h HIS 75 N 0.90 -0.05 -0.84 3.99 2.76 -0.22 -0.03 115.15 121.66 3fy6 h HIS 75 Ca 0.35 -0.00 0.08 0.00 -2.20 0.00 0.00 60.37 58.60 3fy6 h HIS 75 Cb 0.15 0.02 -0.07 0.00 1.55 0.00 0.00 27.41 29.06 3fy6 h HIS 75 CO -0.04 0.19 0.50 0.00 -1.30 0.00 0.00 177.93 177.27 3fy6 h ALA 76 N 0.67 1.18 -0.11 5.26 0.00 -1.10 -0.62 119.26 124.54 3fy6 h ALA 76 Ca -0.01 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3fy6 h ALA 76 Cb 0.26 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3fy6 h ALA 76 CO 0.01 0.16 0.03 2.35 0.00 0.00 0.00 179.25 181.80 3fy6 h TRP 77 N 0.86 0.18 -0.79 0.00 7.01 -1.01 -0.34 115.95 121.86 3fy6 h TRP 77 Ca 0.39 -0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.34 3fy6 h TRP 77 Cb 0.30 -0.05 -0.04 0.00 -2.10 0.00 0.00 29.16 27.27 3fy6 h TRP 77 CO -0.05 0.31 0.36 -0.07 -2.79 0.00 0.00 178.44 176.20 3fy6 h LEU 78 N -0.01 1.04 -0.53 0.65 3.38 -0.54 0.27 115.31 119.57 3fy6 h LEU 78 Ca 0.04 -0.13 -0.12 0.00 0.09 0.00 0.00 57.88 57.76 3fy6 h LEU 78 Cb 0.22 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3fy6 h LEU 78 CO -0.00 0.90 -0.12 -0.33 0.09 0.00 0.00 178.44 178.97 3fy6 h GLU 79 N 1.13 1.02 -0.52 1.13 4.39 -0.98 -2.86 114.58 117.89 3fy6 h GLU 79 Ca 0.27 -0.39 -0.08 0.00 0.34 0.00 0.00 59.36 59.50 3fy6 h GLU 79 Cb 0.15 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.72 3fy6 h GLU 79 CO -0.03 1.07 -0.01 2.35 -1.16 0.00 0.00 179.01 181.24 3fy6 h TRP 80 N 0.89 0.94 -0.51 4.33 7.01 -0.57 0.55 115.95 128.60 3fy6 h TRP 80 Ca 0.14 -0.14 0.05 0.00 2.11 0.00 0.00 58.89 61.05 3fy6 h TRP 80 Cb 0.69 -0.25 -0.05 0.00 -2.10 0.00 0.00 29.16 27.45 3fy6 h TRP 80 CO 0.05 0.86 0.24 -0.09 -2.79 0.00 0.00 178.44 176.71 3fy6 h ARG 81 N 0.81 0.45 -0.56 2.65 2.43 -0.27 -0.68 114.38 119.22 3fy6 h ARG 81 Ca 0.15 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 3fy6 h ARG 81 Cb 0.49 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 3fy6 h ARG 81 CO 0.02 0.30 0.00 0.36 -1.51 0.00 0.00 179.97 179.14 3fy6 n LYS 82 N -4.92 2.41 -1.12 0.20 2.85 -1.12 -4.91 118.16 111.56 3fy6 n LYS 82 Ca 0.05 -1.52 -0.04 0.00 -1.05 0.00 0.00 58.31 55.75 3fy6 n LYS 82 Cb 0.16 -1.57 -0.02 0.00 -0.65 0.00 0.00 35.03 32.96 3fy6 n LYS 82 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3fy6 n GLY 83 N 0.78 0.69 0.23 2.58 0.00 -0.26 -4.89 105.19 104.31 3fy6 n GLY 83 Ca 0.14 -0.78 0.14 0.00 0.00 0.00 0.00 46.02 45.52 3fy6 n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fy6 h ALA 84 N 0.00 1.00 -3.92 4.61 0.00 -1.09 -3.43 119.26 116.43 3fy6 h ALA 84 Ca -0.08 0.00 -0.44 0.00 0.00 0.00 0.00 54.91 54.39 3fy6 h ALA 84 Cb 0.28 0.00 -0.30 0.00 0.00 0.00 0.00 17.79 17.77 3fy6 h ALA 84 CO 0.12 0.00 -0.79 -0.51 0.00 0.00 0.00 179.25 178.07 3fy6 s LEU 85 N -5.92 1.88 0.00 0.00 1.43 -1.19 -4.93 118.68 109.95 3fy6 s LEU 85 Ca 0.05 -0.20 -0.07 0.00 -1.03 0.00 0.00 54.13 52.88 3fy6 s LEU 85 Cb 0.07 -0.58 0.15 0.00 0.03 0.00 0.00 46.19 45.86 3fy6 s LEU 85 CO 0.59 0.10 0.91 -0.90 0.23 0.00 0.00 176.35 177.29 3fy6 n ASP 86 N 3.11 0.52 -0.33 2.29 5.68 -1.26 -4.55 116.55 122.01 3fy6 n ASP 86 Ca -0.17 -1.60 -0.01 0.00 -0.50 0.00 0.00 54.79 52.51 3fy6 n ASP 86 Cb 0.55 -0.66 0.16 0.00 -1.14 0.00 0.00 41.12 40.03 3fy6 n ASP 86 CO 0.00 0.00 0.00 0.78 -1.33 0.00 0.00 177.20 176.65 3fy6 h ASN 87 N -0.95 1.05 0.16 -1.12 2.35 -1.99 -0.63 115.58 114.45 3fy6 h ASN 87 Ca -0.30 -0.02 -0.21 0.00 -0.55 0.00 0.00 56.30 55.21 3fy6 h ASN 87 Cb 0.93 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 39.05 3fy6 h ASN 87 CO 0.25 0.76 -0.84 -0.78 -1.65 0.00 0.00 177.43 175.17 3fy6 h ASP 88 N 1.24 0.65 -0.35 5.81 3.58 -1.99 -2.59 116.42 122.77 3fy6 h ASP 88 Ca 0.34 -0.46 -0.04 0.00 0.42 0.00 0.00 57.03 57.29 3fy6 h ASP 88 Cb -0.12 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 40.72 3fy6 h ASP 88 CO -0.08 1.24 0.05 -0.33 -2.88 0.00 0.00 179.24 177.24 3fy6 h GLU 89 N 0.34 0.58 -0.20 0.28 5.08 -1.85 -1.71 114.58 117.10 3fy6 h GLU 89 Ca -0.06 -0.16 -0.07 0.00 -1.00 0.00 0.00 59.36 58.07 3fy6 h GLU 89 Cb 1.45 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.62 3fy6 h GLU 89 CO 0.15 0.66 -0.19 -0.24 -1.00 0.00 0.00 179.01 178.38 3fy6 h VAL 90 N 0.41 1.23 0.26 3.13 3.04 -1.13 -1.08 116.25 122.11 3fy6 h VAL 90 Ca 0.11 -1.05 -0.01 0.00 -1.01 0.00 0.00 66.70 64.73 3fy6 h VAL 90 Cb 0.36 1.30 0.00 0.00 -2.01 0.00 0.00 31.29 30.94 3fy6 h VAL 90 CO 0.01 0.33 -0.12 0.74 -1.01 0.00 0.00 177.57 177.51 3fy6 h THR 91 N 0.31 0.77 -0.38 3.17 2.02 -1.22 -2.04 112.91 115.53 3fy6 h THR 91 Ca 0.05 -0.11 -0.03 0.00 0.77 0.00 0.00 66.41 67.09 3fy6 h THR 91 Cb 0.53 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 67.75 3fy6 h THR 91 CO 0.03 0.03 0.13 0.03 0.37 0.00 0.00 175.52 176.11 3fy6 h ARG 92 N -0.40 0.59 -0.87 6.66 2.47 -1.07 -0.62 114.38 121.14 3fy6 h ARG 92 Ca -0.04 -0.12 0.03 0.00 -1.26 0.00 0.00 59.98 58.59 3fy6 h ARG 92 Cb 0.31 -0.09 -0.05 0.00 -1.65 0.00 0.00 29.97 28.49 3fy6 h ARG 92 CO 0.06 0.60 0.57 0.93 0.56 0.00 0.00 179.97 182.68 3fy6 h GLU 93 N 0.47 1.07 -0.17 0.04 4.39 -1.20 -0.39 114.58 118.79 3fy6 h GLU 93 Ca 0.12 -0.06 -0.14 0.00 0.34 0.00 0.00 59.36 59.62 3fy6 h GLU 93 Cb 0.25 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 3fy6 h GLU 93 CO -0.01 0.71 -0.50 -0.07 -1.16 0.00 0.00 179.01 177.98 3fy6 h LEU 94 N 1.10 0.51 -1.59 1.33 3.38 -1.22 -2.63 115.31 116.19 3fy6 h LEU 94 Ca 0.35 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 3fy6 h LEU 94 Cb 0.00 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3fy6 h LEU 94 CO -0.12 0.93 -0.10 -0.33 0.09 0.00 0.00 178.44 178.91 3fy6 h GLU 95 N 0.37 0.13 0.00 1.13 5.08 -0.33 -1.33 114.58 119.64 3fy6 h GLU 95 Ca 0.02 -0.02 -0.11 0.00 -1.00 0.00 0.00 59.36 58.24 3fy6 h GLU 95 Cb 1.01 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.22 3fy6 h GLU 95 CO 0.09 0.25 -0.52 -0.07 -1.00 0.00 0.00 179.01 177.75 3fy6 h LEU 96 N 0.13 0.00 -0.27 1.33 3.38 -0.74 -0.34 115.31 118.80 3fy6 h LEU 96 Ca 0.03 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.87 3fy6 h LEU 96 Cb 0.27 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 3fy6 h LEU 96 CO 0.02 0.52 -0.34 0.58 0.09 0.00 0.00 178.44 179.31 3fy6 h VAL 97 N 0.00 1.30 -0.72 1.22 2.07 -1.08 -1.64 116.25 117.40 3fy6 h VAL 97 Ca -0.01 -1.53 -0.00 0.00 0.82 0.00 0.00 66.70 65.98 3fy6 h VAL 97 Cb 0.93 1.66 -0.03 0.00 -1.52 0.00 0.00 31.29 32.32 3fy6 h VAL 97 CO 0.07 0.49 0.44 0.00 0.02 0.00 0.00 177.57 178.58 3fy6 h ALA 98 N 0.68 0.91 -0.91 1.67 0.00 -1.09 -1.08 119.26 119.44 3fy6 h ALA 98 Ca 0.03 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.89 3fy6 h ALA 98 Cb 0.93 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.38 3fy6 h ALA 98 CO 0.08 0.37 0.59 0.37 0.00 0.00 0.00 179.25 180.67 3fy6 h GLN 99 N 0.98 1.13 0.00 0.00 4.15 -0.98 -0.05 115.11 120.34 3fy6 h GLN 99 Ca 0.26 -0.07 -0.00 0.00 0.77 0.00 0.00 58.65 59.61 3fy6 h GLN 99 Cb -0.05 -0.26 0.00 0.00 0.21 0.00 0.00 27.48 27.39 3fy6 h GLN 99 CO -0.05 0.75 -0.00 2.35 -1.93 0.00 0.00 178.83 179.95 3fy6 h TRP 100 N 1.17 -0.00 -0.70 3.99 7.01 -0.72 -1.41 115.95 125.29 3fy6 h TRP 100 Ca 0.35 -0.00 0.10 0.00 2.11 0.00 0.00 58.89 61.45 3fy6 h TRP 100 Cb -0.04 0.00 -0.07 0.00 -2.10 0.00 0.00 29.16 26.95 3fy6 h TRP 100 CO -0.01 0.10 0.33 0.28 -2.79 0.00 0.00 178.44 176.35 3fy6 h VAL 101 N -0.10 0.82 -0.75 2.65 2.07 -0.74 -0.87 116.25 119.33 3fy6 h VAL 101 Ca -0.00 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 3fy6 h VAL 101 Cb 0.10 0.21 -0.04 0.00 -1.52 0.00 0.00 31.29 30.05 3fy6 h VAL 101 CO 0.00 0.10 0.37 0.78 0.02 0.00 0.00 177.57 178.84 3fy6 h ASN 102 N 0.56 0.96 -0.52 0.57 -0.26 -0.70 -1.60 115.58 114.58 3fy6 h ASN 102 Ca 0.35 -0.10 -0.07 0.00 -0.56 0.00 0.00 56.30 55.91 3fy6 h ASN 102 Cb 0.39 -0.25 -0.02 0.00 -1.06 0.00 0.00 38.32 37.38 3fy6 h ASN 102 CO -0.28 0.81 0.07 0.11 -1.06 0.00 0.00 177.43 177.07 3fy6 h LYS 103 N 1.06 0.93 -0.01 0.81 1.57 -0.21 -1.28 116.57 119.44 3fy6 h LYS 103 Ca 0.26 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3fy6 h LYS 103 Cb 0.09 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.29 3fy6 h LYS 103 CO -0.04 0.87 0.01 0.28 -0.57 0.00 0.00 179.45 180.01 3fy6 h VAL 104 N 0.87 1.01 -0.26 0.50 2.07 -0.62 -1.17 116.25 118.65 3fy6 h VAL 104 Ca 0.18 -0.04 0.03 0.00 0.82 0.00 0.00 66.70 67.69 3fy6 h VAL 104 Cb 0.41 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 3fy6 h VAL 104 CO 0.01 0.01 0.09 0.74 0.02 0.00 0.00 177.57 178.44 3fy6 h THR 105 N 0.00 0.93 -0.44 2.57 2.02 -1.12 -1.71 112.91 115.17 3fy6 h THR 105 Ca 0.00 -0.07 0.01 0.00 0.77 0.00 0.00 66.41 67.12 3fy6 h THR 105 Cb 0.01 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 67.11 3fy6 h THR 105 CO -0.00 0.04 0.29 -0.08 0.37 0.00 0.00 175.52 176.14 3fy6 h GLU 106 N 0.21 0.56 -0.07 6.66 4.81 -1.09 -2.35 114.58 123.31 3fy6 h GLU 106 Ca 0.12 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 3fy6 h GLU 106 Cb 0.09 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.34 3fy6 h GLU 106 CO -0.12 0.37 0.00 0.00 -0.73 0.00 0.00 179.01 178.53 3fy6 n ALA 107 N -2.47 2.54 -1.65 2.92 0.00 -0.46 -4.96 120.51 116.43 3fy6 n ALA 107 Ca 0.04 -0.51 -0.44 0.00 0.00 0.00 0.00 53.44 52.53 3fy6 n ALA 107 Cb 0.07 -1.10 -0.01 0.00 0.00 0.00 0.00 19.45 18.41 3fy6 n ALA 107 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3fy6 n LYS 108 N 0.39 1.83 -1.61 0.00 4.81 -0.71 -4.84 118.16 118.03 3fy6 n LYS 108 Ca 0.18 0.64 -0.49 0.00 -0.87 0.00 0.00 58.31 57.77 3fy6 n LYS 108 Cb 0.38 -2.17 -0.05 0.00 0.02 0.00 0.00 35.03 33.22 3fy6 n LYS 108 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 3fy6 n PRO 109 N 0.93 1.45 -0.19 1.64 -0.02 -1.26 -4.90 135.00 132.65 3fy6 n PRO 109 Ca 0.08 0.52 0.08 0.00 -2.02 0.00 0.00 63.50 62.16 3fy6 n PRO 109 Cb 0.33 -2.14 0.12 0.00 -0.02 0.00 0.00 33.50 31.80 3fy6 n PRO 109 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3fy6 n ASN 110 N 2.45 1.92 -4.74 2.55 5.15 -1.26 -4.54 115.26 116.79 3fy6 n ASN 110 Ca 0.16 -2.95 -0.34 0.00 -0.60 0.00 0.00 54.58 50.85 3fy6 n ASN 110 Cb 0.24 -0.40 0.08 0.00 -0.53 0.00 0.00 39.78 39.17 3fy6 n ASN 110 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 3fy6 s SER 111 N -2.59 4.50 0.36 1.20 1.04 -1.26 -4.78 113.70 112.17 3fy6 s SER 111 Ca 0.27 2.21 0.07 0.00 0.48 0.00 0.00 55.95 58.99 3fy6 s SER 111 Cb 0.24 -2.57 0.78 0.00 0.10 0.00 0.00 66.02 64.57 3fy6 s SER 111 CO 0.02 -2.05 1.93 0.44 0.98 0.00 0.00 173.24 174.56 3fy6 h ASP 112 N -0.23 0.64 0.30 7.02 5.19 -1.99 -0.44 116.42 126.91 3fy6 h ASP 112 Ca -0.47 0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 55.95 3fy6 h ASP 112 Cb 1.28 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 40.65 3fy6 h ASP 112 CO 0.51 0.39 -0.24 0.15 -3.12 0.00 0.00 179.24 176.93 3fy6 h PHE 113 N 0.71 -0.62 -0.25 4.55 3.57 -1.99 -2.78 116.94 120.12 3fy6 h PHE 113 Ca 0.35 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.75 3fy6 h PHE 113 Cb 0.42 0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.38 3fy6 h PHE 113 CO -0.00 -0.36 -0.27 -1.49 -2.23 0.00 0.00 178.31 173.96 3fy6 h TRP 114 N -0.55 0.56 -0.33 0.41 -0.00 -1.65 -2.98 115.95 111.42 3fy6 h TRP 114 Ca -0.02 -0.12 -0.02 0.00 -0.00 0.00 0.00 58.89 58.72 3fy6 h TRP 114 Cb 0.48 -0.14 -0.02 0.00 -0.00 0.00 0.00 29.16 29.49 3fy6 h TRP 114 CO -0.13 0.72 0.10 0.00 -0.00 0.00 0.00 178.44 179.13 3fy6 h ARG 115 N 0.44 0.47 0.00 0.49 3.08 -1.06 0.12 114.38 117.91 3fy6 h ARG 115 Ca 0.06 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 3fy6 h ARG 115 Cb 0.70 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.66 3fy6 h ARG 115 CO 0.05 0.42 -0.15 -0.22 -1.07 0.00 0.00 179.97 179.01 3fy6 h LYS 116 N 0.46 0.00 0.05 0.04 3.64 -1.33 -3.27 116.57 116.16 3fy6 h LYS 116 Ca 0.11 0.00 -0.36 0.00 -1.27 0.00 0.00 60.65 59.13 3fy6 h LYS 116 Cb 0.16 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.93 3fy6 h LYS 116 CO -0.01 0.15 -2.06 0.98 -2.27 0.00 0.00 179.45 176.24 3fy6 n TYR 117 N -3.60 0.68 -1.54 1.91 9.36 -0.11 -5.14 117.16 118.72 3fy6 n TYR 117 Ca -0.01 0.19 0.00 0.00 3.32 0.00 0.00 57.90 61.40 3fy6 n TYR 117 Cb 0.28 -1.08 0.00 0.00 -0.63 0.00 0.00 39.34 37.91 3fy6 n TYR 117 CO 0.00 0.00 0.00 1.97 0.22 0.00 0.00 176.86 179.05