#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fy6 s THR 2 N 0.00 0.00 -0.12 2.61 -1.32 -0.83 -4.43 115.64 111.55 3fy6 s THR 2 Ca 0.00 0.00 -0.02 0.00 -1.21 0.00 0.00 61.69 60.46 3fy6 s THR 2 Cb 0.00 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.96 3fy6 s THR 2 CO 0.00 0.00 -0.04 -0.70 -2.21 0.00 0.00 174.62 171.67 3fy6 s GLU 3 N 0.38 3.33 -0.12 7.08 2.12 -1.26 -0.63 118.70 129.59 3fy6 s GLU 3 Ca 0.01 -0.51 0.03 0.00 0.36 0.00 0.00 54.97 54.86 3fy6 s GLU 3 Cb -0.05 -2.81 0.01 0.00 0.26 0.00 0.00 34.13 31.54 3fy6 s GLU 3 CO -0.06 0.42 -0.20 0.08 -0.54 0.00 0.00 175.26 174.96 3fy6 s VAL 4 N -0.14 1.87 -0.30 3.70 1.01 0.61 -4.98 120.40 122.16 3fy6 s VAL 4 Ca 0.03 -0.87 -0.11 0.00 0.00 0.00 0.00 61.98 61.02 3fy6 s VAL 4 Cb -0.13 -1.65 -0.03 0.00 0.00 0.00 0.00 36.38 34.57 3fy6 s VAL 4 CO 0.02 0.51 0.19 0.20 0.00 0.00 0.00 175.10 176.03 3fy6 s ASN 5 N 0.76 5.88 -0.09 3.32 0.01 -1.26 -0.43 114.94 123.13 3fy6 s ASN 5 Ca -0.10 -0.25 -0.01 0.00 -0.71 0.00 0.00 52.86 51.79 3fy6 s ASN 5 Cb -0.16 -2.09 -0.03 0.00 0.41 0.00 0.00 41.25 39.38 3fy6 s ASN 5 CO 0.01 -0.14 -0.03 -0.76 -1.51 0.00 0.00 177.10 174.67 3fy6 s LEU 6 N 1.71 3.39 -0.37 0.60 1.43 0.52 -4.94 118.68 121.03 3fy6 s LEU 6 Ca 0.06 0.05 -0.14 0.00 -1.03 0.00 0.00 54.13 53.07 3fy6 s LEU 6 Cb -0.17 -1.77 -0.00 0.00 0.03 0.00 0.00 46.19 44.29 3fy6 s LEU 6 CO 0.09 0.35 0.30 0.20 0.23 0.00 0.00 176.35 177.52 3fy6 s ASN 7 N -0.71 6.11 -0.19 2.29 0.02 -1.26 -0.17 114.94 121.03 3fy6 s ASN 7 Ca 0.11 -0.56 -0.01 0.00 -1.02 0.00 0.00 52.86 51.38 3fy6 s ASN 7 Cb -0.11 -2.16 0.00 0.00 0.02 0.00 0.00 41.25 38.99 3fy6 s ASN 7 CO 0.02 -0.35 -0.12 -0.63 0.02 0.00 0.00 177.10 176.04 3fy6 s ILE 8 N 1.80 2.76 0.11 0.60 -1.09 -0.01 -4.83 121.20 120.54 3fy6 s ILE 8 Ca 0.07 -0.71 -0.31 0.00 -2.23 0.00 0.00 60.65 57.47 3fy6 s ILE 8 Cb -0.18 -2.21 -0.08 0.00 -1.58 0.00 0.00 42.46 38.42 3fy6 s ILE 8 CO 0.11 0.49 1.36 -0.47 -1.23 0.00 0.00 174.94 175.19 3fy6 s TYR 9 N 1.21 3.27 -0.35 3.97 5.04 -1.26 -0.10 117.35 129.14 3fy6 s TYR 9 Ca 0.02 1.01 -0.05 0.00 -2.44 0.00 0.00 57.07 55.62 3fy6 s TYR 9 Cb -0.14 -3.64 0.06 0.00 0.35 0.00 0.00 41.96 38.58 3fy6 s TYR 9 CO -0.05 -2.20 0.11 0.45 -1.34 0.00 0.00 175.55 172.52 3fy6 s SER 10 N 1.07 5.24 0.58 4.32 0.15 0.00 -4.85 113.70 120.21 3fy6 s SER 10 Ca 0.63 -1.34 0.29 0.00 0.70 0.00 0.00 55.95 56.23 3fy6 s SER 10 Cb -0.36 -1.84 1.78 0.00 -1.71 0.00 0.00 66.02 63.90 3fy6 s SER 10 CO 0.30 -0.37 2.24 -0.65 1.20 0.00 0.00 173.24 175.97 3fy6 h PRO 11 N 8.16 0.00 -0.28 5.44 0.11 -1.75 0.33 132.00 144.01 3fy6 h PRO 11 Ca -0.21 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.89 3fy6 h PRO 11 Cb 1.07 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 3fy6 h PRO 11 CO 0.62 0.01 0.14 -0.09 -0.21 0.00 0.00 178.00 178.46 3fy6 h ARG 12 N 0.00 0.40 -0.00 1.05 9.65 -1.70 -3.28 114.38 120.49 3fy6 h ARG 12 Ca -0.00 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.83 3fy6 h ARG 12 Cb 0.02 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 28.53 3fy6 h ARG 12 CO 0.00 0.37 -0.65 0.91 2.80 0.00 0.00 179.97 183.40 3fy6 n TRP 13 N -4.81 0.00 -2.68 2.20 7.02 -1.02 -4.99 117.44 113.16 3fy6 n TRP 13 Ca -0.02 0.00 -0.12 0.00 -1.02 0.00 0.00 57.50 56.34 3fy6 n TRP 13 Cb 0.09 0.00 0.02 0.00 -2.42 0.00 0.00 31.31 29.00 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 1.35 0.05 3.60 6.99 0.00 0.11 -5.01 105.19 112.29 3fy6 n GLY 14 Ca 0.05 -0.30 -0.08 0.00 0.00 0.00 0.00 46.02 45.69 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 -5.16 1.22 0.31 1.61 1.70 -1.11 -4.99 118.95 112.53 3fy6 s ARG 15 Ca 0.17 -0.56 -0.28 0.00 -0.47 0.00 0.00 55.73 54.59 3fy6 s ARG 15 Cb -0.07 0.49 -0.09 0.00 -0.57 0.00 0.00 34.95 34.70 3fy6 s ARG 15 CO 0.21 -0.54 1.12 -1.01 -1.08 0.00 0.00 175.30 173.99 3fy6 s HIS 16 N -3.48 3.43 0.13 5.89 3.76 -1.26 -0.82 115.29 122.94 3fy6 s HIS 16 Ca 0.07 1.65 0.11 0.00 -0.15 0.00 0.00 55.06 56.74 3fy6 s HIS 16 Cb -0.02 -3.31 -0.04 0.00 1.11 0.00 0.00 32.58 30.32 3fy6 s HIS 16 CO -0.05 -0.77 -0.26 -1.21 -0.85 0.00 0.00 174.74 171.60 3fy6 s GLU 17 N -1.72 1.44 -0.28 1.40 0.41 0.86 -4.89 118.70 115.92 3fy6 s GLU 17 Ca 0.48 -1.35 -0.18 0.00 -0.41 0.00 0.00 54.97 53.51 3fy6 s GLU 17 Cb -0.31 -1.91 -0.02 0.00 -1.78 0.00 0.00 34.13 30.11 3fy6 s GLU 17 CO 0.40 0.45 0.53 0.99 -0.49 0.00 0.00 175.26 177.14 3fy6 s THR 18 N -1.12 5.04 -0.21 3.63 2.01 -1.26 -0.83 115.64 122.91 3fy6 s THR 18 Ca 0.15 0.82 -0.14 0.00 0.31 0.00 0.00 61.69 62.83 3fy6 s THR 18 Cb -0.10 -3.87 -0.04 0.00 0.01 0.00 0.00 72.50 68.50 3fy6 s THR 18 CO 0.07 0.02 0.31 -0.31 -0.69 0.00 0.00 174.62 174.01 3fy6 s TYR 19 N 2.37 3.37 -0.28 4.92 1.51 0.76 -4.69 117.35 125.31 3fy6 s TYR 19 Ca 0.21 0.50 -0.10 0.00 -1.01 0.00 0.00 57.07 56.67 3fy6 s TYR 19 Cb -0.15 -2.42 -0.04 0.00 -0.11 0.00 0.00 41.96 39.24 3fy6 s TYR 19 CO 0.10 0.05 0.15 0.42 -1.11 0.00 0.00 175.55 175.16 3fy6 s ILE 20 N 1.10 4.87 -0.25 2.71 1.01 0.71 -0.35 121.20 131.00 3fy6 s ILE 20 Ca 0.15 -0.04 -0.09 0.00 0.00 0.00 0.00 60.65 60.68 3fy6 s ILE 20 Cb -0.14 -3.33 -0.04 0.00 0.01 0.00 0.00 42.46 38.96 3fy6 s ILE 20 CO 0.06 0.25 0.11 -0.69 0.00 0.00 0.00 174.94 174.67 3fy6 s VAL 21 N 1.69 4.74 -0.26 2.92 1.01 0.43 -1.15 120.40 129.79 3fy6 s VAL 21 Ca 0.06 -0.03 -0.07 0.00 0.00 0.00 0.00 61.98 61.95 3fy6 s VAL 21 Cb -0.16 -3.22 -0.02 0.00 0.00 0.00 0.00 36.38 32.98 3fy6 s VAL 21 CO 0.08 0.32 0.05 -1.61 0.00 0.00 0.00 175.10 173.94 3fy6 s GLU 22 N 1.49 3.47 -0.22 2.72 2.02 0.14 -0.29 118.70 128.04 3fy6 s GLU 22 Ca 0.06 -0.60 -0.07 0.00 0.02 0.00 0.00 54.97 54.39 3fy6 s GLU 22 Cb -0.15 -3.28 -0.03 0.00 0.10 0.00 0.00 34.13 30.77 3fy6 s GLU 22 CO 0.06 -0.25 0.05 -0.51 0.02 0.00 0.00 175.26 174.63 3fy6 s LEU 23 N 1.56 3.54 0.17 1.80 1.43 0.20 -1.02 118.68 126.36 3fy6 s LEU 23 Ca 0.05 -0.10 0.05 0.00 -1.03 0.00 0.00 54.13 53.10 3fy6 s LEU 23 Cb -0.15 -1.92 -0.05 0.00 0.03 0.00 0.00 46.19 44.10 3fy6 s LEU 23 CO 0.02 0.06 -0.10 -1.00 0.23 0.00 0.00 176.35 175.56 3fy6 s HIS 24 N 1.06 1.42 0.34 0.29 3.76 -0.08 -1.96 115.29 120.12 3fy6 s HIS 24 Ca 0.04 -0.74 0.06 0.00 -0.15 0.00 0.00 55.06 54.27 3fy6 s HIS 24 Cb -0.14 -0.72 0.73 0.00 1.11 0.00 0.00 32.58 33.56 3fy6 s HIS 24 CO 0.03 0.13 1.88 -0.22 -0.85 0.00 0.00 174.74 175.71 3fy6 h LYS 25 N 2.68 0.76 0.00 1.40 3.64 -1.96 -3.06 116.57 120.03 3fy6 h LYS 25 Ca -0.37 -0.05 -0.17 0.00 -1.27 0.00 0.00 60.65 58.79 3fy6 h LYS 25 Cb 1.20 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.82 3fy6 h LYS 25 CO 0.63 0.51 -1.52 -0.25 -2.27 0.00 0.00 179.45 176.55 3fy6 n ASP 26 N -4.56 0.75 0.00 4.20 9.92 -1.26 -4.84 116.55 120.77 3fy6 n ASP 26 Ca 0.17 0.33 0.00 0.00 -0.53 0.00 0.00 54.79 54.75 3fy6 n ASP 26 Cb 0.40 0.33 0.00 0.00 -0.64 0.00 0.00 41.12 41.20 3fy6 n ASP 26 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3fy6 n TYR 27 N -2.84 0.00 -3.61 1.24 4.11 -1.16 -0.61 117.16 114.29 3fy6 n TYR 27 Ca -0.11 0.00 -0.11 0.00 -0.00 0.00 0.00 57.90 57.68 3fy6 n TYR 27 Cb 0.85 0.00 -0.06 0.00 -0.00 0.00 0.00 39.34 40.12 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 2.60 0.59 -0.04 -3.48 2.02 -0.19 -0.91 118.70 119.30 3fy6 s GLU 29 Ca 0.00 0.49 0.03 0.00 0.02 0.00 0.00 54.97 55.51 3fy6 s GLU 29 Cb 0.00 0.29 -0.00 0.00 0.10 0.00 0.00 34.13 34.52 3fy6 s GLU 29 CO 0.00 -0.11 -0.14 0.42 0.02 0.00 0.00 175.26 175.45 3fy6 s ILE 30 N -0.21 1.15 0.03 -1.63 1.01 -0.43 0.28 121.20 121.39 3fy6 s ILE 30 Ca 0.01 -0.56 0.00 0.00 0.00 0.00 0.00 60.65 60.10 3fy6 s ILE 30 Cb -0.03 -1.00 -0.00 0.00 0.01 0.00 0.00 42.46 41.44 3fy6 s ILE 30 CO -0.02 0.34 0.03 -1.20 0.00 0.00 0.00 174.94 174.09 3fy6 n SER 31 N 3.22 -0.08 0.00 3.58 7.64 -0.30 -0.95 113.62 126.73 3fy6 n SER 31 Ca -0.18 -1.17 0.00 0.00 1.01 0.00 0.00 58.87 58.53 3fy6 n SER 31 Cb 0.53 0.17 0.00 0.00 -1.01 0.00 0.00 64.21 63.90 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 -0.05 0.00 0.03 0.23 0.00 -1.26 -0.21 105.19 103.93 3fy6 n GLY 33 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.15 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 3.02 -2.70 4.61 0.00 -1.26 -4.78 120.51 119.41 3fy6 n ALA 34 Ca 0.00 -0.24 -0.40 0.00 0.00 0.00 0.00 53.44 52.79 3fy6 n ALA 34 Cb 0.00 -1.23 -0.11 0.00 0.00 0.00 0.00 19.45 18.11 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 -3.06 4.87 -0.18 0.00 1.01 -1.26 -5.06 120.40 116.72 3fy6 s VAL 35 Ca 0.10 -0.55 -0.04 0.00 0.00 0.00 0.00 61.98 61.49 3fy6 s VAL 35 Cb 0.16 -3.60 -0.02 0.00 0.00 0.00 0.00 36.38 32.91 3fy6 s VAL 35 CO 0.67 -0.11 -0.02 -0.89 0.00 0.00 0.00 175.10 174.75 3fy6 s THR 36 N 1.63 3.89 0.30 3.92 2.01 -1.26 -4.50 115.64 121.63 3fy6 s THR 36 Ca 0.04 -0.35 0.08 0.00 0.31 0.00 0.00 61.69 61.77 3fy6 s THR 36 Cb -0.18 -2.73 -0.03 0.00 0.01 0.00 0.00 72.50 69.57 3fy6 s THR 36 CO 0.08 0.46 0.21 0.27 -0.69 0.00 0.00 174.62 174.95 3fy6 s ILE 37 N 0.72 3.85 -0.15 1.82 -4.36 -0.13 -4.95 121.20 117.99 3fy6 s ILE 37 Ca -0.01 -1.46 -0.14 0.00 -0.26 0.00 0.00 60.65 58.78 3fy6 s ILE 37 Cb -0.14 -3.22 0.04 0.00 1.25 0.00 0.00 42.46 40.38 3fy6 s ILE 37 CO 0.02 -0.26 0.41 -0.75 0.24 0.00 0.00 174.94 174.59 3fy6 s LYS 38 N -3.89 0.48 -0.16 0.37 2.20 -1.26 -1.32 119.74 116.16 3fy6 s LYS 38 Ca 0.37 0.54 -0.00 0.00 -0.36 0.00 0.00 55.97 56.52 3fy6 s LYS 38 Cb -0.06 0.23 -0.00 0.00 -1.51 0.00 0.00 37.83 36.49 3fy6 s LYS 38 CO 0.25 -0.06 -0.14 0.00 -0.36 0.00 0.00 175.35 175.04 3fy6 s ALA 39 N 0.17 2.53 -0.16 3.13 0.00 -1.26 -0.54 121.76 125.63 3fy6 s ALA 39 Ca -0.00 -1.04 -0.04 0.00 0.00 0.00 0.00 51.96 50.88 3fy6 s ALA 39 Cb -0.03 -1.26 -0.03 0.00 0.00 0.00 0.00 23.12 21.81 3fy6 s ALA 39 CO 0.01 -0.03 -0.03 0.95 0.00 0.00 0.00 175.76 176.65 3fy6 s THR 40 N 0.82 3.90 0.50 0.00 -4.23 0.15 -4.29 115.64 112.49 3fy6 s THR 40 Ca -0.05 -0.35 -0.20 0.00 -1.18 0.00 0.00 61.69 59.91 3fy6 s THR 40 Cb -0.15 -2.72 -0.08 0.00 1.34 0.00 0.00 72.50 70.89 3fy6 s THR 40 CO 0.00 0.48 1.07 -0.47 -0.54 0.00 0.00 174.62 175.17 3fy6 s TYR 41 N 0.46 2.89 -0.00 3.99 5.04 0.22 -1.26 117.35 128.69 3fy6 s TYR 41 Ca -0.03 1.57 -0.05 0.00 -2.44 0.00 0.00 57.07 56.11 3fy6 s TYR 41 Cb -0.14 -3.15 -0.00 0.00 0.35 0.00 0.00 41.96 39.02 3fy6 s TYR 41 CO 0.03 -1.09 0.10 -1.54 -1.34 0.00 0.00 175.55 171.71 3fy6 s SER 42 N -1.88 0.04 0.38 4.32 1.04 -1.26 -4.90 113.70 111.43 3fy6 s SER 42 Ca 0.69 -0.17 0.27 0.00 0.48 0.00 0.00 55.95 57.22 3fy6 s SER 42 Cb -0.19 0.20 1.01 0.00 0.10 0.00 0.00 66.02 67.13 3fy6 s SER 42 CO 0.23 -0.29 1.80 -0.33 0.98 0.00 0.00 173.24 175.63 3fy6 h GLU 43 N 4.67 0.00 0.00 4.02 4.39 -1.98 -3.36 114.58 122.32 3fy6 h GLU 43 Ca -0.30 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.29 3fy6 h GLU 43 Cb 1.20 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.83 3fy6 h GLU 43 CO 0.41 0.00 -1.41 0.09 -1.16 0.00 0.00 179.01 176.94 3fy6 n ASN 44 N -2.65 2.33 -4.80 1.42 3.02 -1.26 -5.07 115.26 108.24 3fy6 n ASN 44 Ca 0.02 0.01 -0.22 0.00 -0.03 0.00 0.00 54.58 54.37 3fy6 n ASN 44 Cb 0.33 -0.15 0.09 0.00 -0.61 0.00 0.00 39.78 39.44 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 -2.14 1.89 0.53 3.52 -0.21 -1.26 -5.10 119.66 116.91 3fy6 s GLN 45 Ca -0.10 -1.34 -0.16 0.00 0.02 0.00 0.00 55.36 53.78 3fy6 s GLN 45 Cb 0.03 -2.45 -0.07 0.00 1.00 0.00 0.00 33.01 31.52 3fy6 s GLN 45 CO 0.15 -1.24 1.00 -0.51 -2.12 0.00 0.00 175.29 172.57 3fy6 s ASP 46 N -4.72 6.40 0.22 5.90 1.11 -1.26 -4.49 116.67 119.83 3fy6 s ASP 46 Ca 0.65 1.64 -0.29 0.00 0.18 0.00 0.00 52.55 54.72 3fy6 s ASP 46 Cb -0.05 -2.52 -0.16 0.00 1.07 0.00 0.00 42.92 41.26 3fy6 s ASP 46 CO 0.42 -0.74 0.85 -2.65 1.18 0.00 0.00 175.17 174.23 3fy6 n PRO 47 N -1.69 0.72 -3.50 8.23 -0.02 -1.26 -4.77 135.00 132.71 3fy6 n PRO 47 Ca 0.07 0.25 -0.37 0.00 -2.02 0.00 0.00 63.50 61.43 3fy6 n PRO 47 Cb 0.54 -1.51 -0.07 0.00 -0.02 0.00 0.00 33.50 32.44 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 -1.06 4.22 0.05 -0.52 2.12 -0.39 -4.85 118.70 118.26 3fy6 s GLU 48 Ca 0.65 0.10 0.01 0.00 0.36 0.00 0.00 54.97 56.08 3fy6 s GLU 48 Cb -0.85 -3.47 -0.04 0.00 0.26 0.00 0.00 34.13 30.03 3fy6 s GLU 48 CO 0.57 0.13 0.13 -1.58 -0.54 0.00 0.00 175.26 173.97 3fy6 s TRP 49 N 0.79 3.34 1.08 5.30 0.52 -1.26 0.33 118.94 129.03 3fy6 s TRP 49 Ca 0.17 0.18 -0.13 0.00 0.02 0.00 0.00 56.10 56.33 3fy6 s TRP 49 Cb -0.14 -1.71 0.19 0.00 -1.15 0.00 0.00 33.47 30.67 3fy6 s TRP 49 CO 0.05 0.56 0.77 -1.13 0.02 0.00 0.00 176.95 177.22 3fy6 n SER 50 N 0.62 -1.42 -0.02 2.95 3.41 0.30 -4.91 113.62 114.55 3fy6 n SER 50 Ca -0.09 0.05 -0.04 0.00 -0.26 0.00 0.00 58.87 58.53 3fy6 n SER 50 Cb 0.52 -1.25 0.18 0.00 -0.26 0.00 0.00 64.21 63.40 3fy6 n SER 50 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3fy6 h GLU 51 N -2.24 0.57 -6.45 4.33 4.81 -1.99 -3.42 114.58 110.19 3fy6 h GLU 51 Ca -0.53 -0.20 -0.53 0.00 -0.13 0.00 0.00 59.36 57.96 3fy6 h GLU 51 Cb 1.32 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.63 3fy6 h GLU 51 CO 0.43 0.74 0.27 -2.00 -0.73 0.00 0.00 179.01 177.72 3fy6 s GLU 52 N -4.60 4.61 0.38 1.92 2.56 -1.26 -5.04 118.70 117.27 3fy6 s GLU 52 Ca -0.08 1.27 0.08 0.00 0.00 0.00 0.00 54.97 56.24 3fy6 s GLU 52 Cb 0.14 -3.37 -0.03 0.00 2.00 0.00 0.00 34.13 32.88 3fy6 s GLU 52 CO 0.80 0.26 0.32 0.95 -0.56 0.00 0.00 175.26 177.03 3fy6 s THR 53 N -0.08 2.96 0.25 -1.70 -4.23 -1.26 -4.71 115.64 106.87 3fy6 s THR 53 Ca 0.43 -1.40 -0.04 0.00 -1.18 0.00 0.00 61.69 59.50 3fy6 s THR 53 Cb -0.22 -3.06 0.23 0.00 1.34 0.00 0.00 72.50 70.79 3fy6 s THR 53 CO 0.27 -0.07 1.84 0.25 -0.54 0.00 0.00 174.62 176.37 3fy6 h LEU 54 N 1.16 0.83 -0.55 4.79 5.85 -1.97 -0.56 115.31 124.86 3fy6 h LEU 54 Ca -0.43 0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.40 3fy6 h LEU 54 Cb 1.26 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 42.08 3fy6 h LEU 54 CO 0.59 0.51 0.19 1.56 -0.34 0.00 0.00 178.44 180.94 3fy6 h GLN 55 N 0.95 0.35 -0.06 1.25 1.08 -1.96 -2.57 115.11 114.15 3fy6 h GLN 55 Ca 0.40 -0.02 0.04 0.00 -1.45 0.00 0.00 58.65 57.62 3fy6 h GLN 55 Cb 0.25 -0.08 -0.05 0.00 -0.05 0.00 0.00 27.48 27.55 3fy6 h GLN 55 CO -0.20 0.23 -0.28 -0.44 -0.95 0.00 0.00 178.83 177.19 3fy6 h ASP 56 N 0.36 -0.84 0.00 1.46 3.32 -1.49 0.27 116.42 119.49 3fy6 h ASP 56 Ca 0.27 0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.44 3fy6 h ASP 56 Cb 0.33 0.35 0.00 0.00 0.22 0.00 0.00 39.33 40.23 3fy6 h ASP 56 CO -0.29 -0.33 0.00 2.30 -1.72 0.00 0.00 179.24 179.20 3fy6 n ILE 57 N -5.39 0.47 0.00 0.35 -5.35 -0.96 -2.80 119.36 105.69 3fy6 n ILE 57 Ca -0.04 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.44 3fy6 n ILE 57 Cb 0.30 -0.71 0.00 0.00 -1.74 0.00 0.00 39.64 37.49 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 0.67 0.00 0.29 7.28 5.03 0.94 -3.38 115.26 126.09 3fy6 n ASN 59 Ca 0.00 0.00 0.16 0.00 0.87 0.00 0.00 54.58 55.61 3fy6 n ASN 59 Cb 0.25 0.00 0.87 0.00 -1.02 0.00 0.00 39.78 39.88 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 -0.53 6.41 2.35 -1.76 -1.02 115.58 121.03 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 0.06 0.00 0.47 -1.65 0.00 0.00 177.43 176.31 3fy6 n ASP 61 N -3.47 3.02 -3.08 5.81 8.00 -1.22 -4.89 116.55 120.73 3fy6 n ASP 61 Ca -0.02 -1.98 -0.22 0.00 0.71 0.00 0.00 54.79 53.28 3fy6 n ASP 61 Cb 0.18 -0.35 0.02 0.00 -0.02 0.00 0.00 41.12 40.95 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 1.16 -5.18 -4.60 -2.24 7.64 -0.39 -2.13 113.62 107.89 3fy6 n SER 62 Ca 0.19 -0.28 -0.35 0.00 1.01 0.00 0.00 58.87 59.44 3fy6 n SER 62 Cb 0.49 -4.22 -0.10 0.00 -1.01 0.00 0.00 64.21 59.36 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 -3.06 4.62 -0.45 0.44 1.01 -1.26 -4.44 120.40 117.27 3fy6 s VAL 63 Ca 0.31 -0.09 0.03 0.00 0.00 0.00 0.00 61.98 62.22 3fy6 s VAL 63 Cb -0.15 -3.08 0.13 0.00 0.00 0.00 0.00 36.38 33.28 3fy6 s VAL 63 CO 0.38 0.45 0.22 -0.31 0.00 0.00 0.00 175.10 175.85 3fy6 s TYR 64 N 0.49 2.51 0.65 5.22 2.02 -1.26 -3.38 117.35 123.60 3fy6 s TYR 64 Ca 0.02 -2.69 -0.10 0.00 -0.37 0.00 0.00 57.07 53.93 3fy6 s TYR 64 Cb -0.13 -2.28 -0.01 0.00 -0.40 0.00 0.00 41.96 39.14 3fy6 s TYR 64 CO 0.01 -0.79 1.02 -1.25 -1.57 0.00 0.00 175.55 172.98 3fy6 s PRO 65 N 0.24 3.12 0.31 -1.71 0.04 -1.26 -4.84 135.00 130.91 3fy6 s PRO 65 Ca 0.16 0.44 -0.28 0.00 0.04 0.00 0.00 61.00 61.37 3fy6 s PRO 65 Cb -0.24 -2.10 -0.13 0.00 0.04 0.00 0.00 34.50 32.06 3fy6 s PRO 65 CO -0.02 -0.79 1.09 -2.30 0.04 0.00 0.00 177.00 175.02 3fy6 n PRO 66 N -2.81 1.58 0.23 0.56 -0.02 -1.26 -4.85 135.00 128.43 3fy6 n PRO 66 Ca 0.06 0.55 0.13 0.00 -2.02 0.00 0.00 63.50 62.22 3fy6 n PRO 66 Cb 0.56 -2.00 0.77 0.00 -0.02 0.00 0.00 33.50 32.81 3fy6 n PRO 66 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 3fy6 h GLU 67 N 2.11 0.00 0.00 -0.52 -0.00 -2.06 -1.23 114.58 112.89 3fy6 h GLU 67 Ca -0.42 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.94 3fy6 h GLU 67 Cb 1.32 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.07 3fy6 h GLU 67 CO 0.61 0.00 0.00 1.51 -0.00 0.00 0.00 179.01 181.13 3fy6 n ILE 68 N -4.17 0.24 -0.13 -1.06 3.06 -1.26 -4.14 119.36 111.89 3fy6 n ILE 68 Ca -0.01 0.06 -0.04 0.00 -2.50 0.00 0.00 62.75 60.26 3fy6 n ILE 68 Cb 0.19 -0.68 0.04 0.00 0.54 0.00 0.00 39.64 39.73 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 0.82 -0.90 9.51 2.02 -1.57 -1.26 112.91 121.53 3fy6 h THR 69 Ca 0.00 -0.09 0.06 0.00 0.77 0.00 0.00 66.41 67.15 3fy6 h THR 69 Cb 0.19 0.52 -0.06 0.00 -1.74 0.00 0.00 68.15 67.07 3fy6 h THR 69 CO 0.00 0.05 0.56 -0.61 0.37 0.00 0.00 175.52 175.89 3fy6 h GLN 70 N 0.27 1.00 -0.51 6.66 4.15 -1.83 -1.25 115.11 123.60 3fy6 h GLN 70 Ca 0.21 -0.06 -0.00 0.00 0.77 0.00 0.00 58.65 59.57 3fy6 h GLN 70 Cb 0.23 -0.22 -0.03 0.00 0.21 0.00 0.00 27.48 27.67 3fy6 h GLN 70 CO -0.24 0.66 0.31 -0.97 -1.93 0.00 0.00 178.83 176.66 3fy6 h ASN 71 N 1.03 0.60 -0.26 -0.69 -0.73 -1.53 -1.68 115.58 112.32 3fy6 h ASN 71 Ca 0.39 -0.03 -0.03 0.00 1.87 0.00 0.00 56.30 58.50 3fy6 h ASN 71 Cb 0.17 -0.15 -0.01 0.00 0.27 0.00 0.00 38.32 38.60 3fy6 h ASN 71 CO -0.17 0.46 0.04 -0.07 -0.37 0.00 0.00 177.43 177.32 3fy6 h LEU 72 N 0.70 0.42 -0.49 0.34 3.38 -0.53 -0.98 115.31 118.15 3fy6 h LEU 72 Ca 0.19 -0.26 0.07 0.00 0.09 0.00 0.00 57.88 57.96 3fy6 h LEU 72 Cb -0.03 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 40.55 3fy6 h LEU 72 CO -0.04 0.58 0.16 -0.26 0.09 0.00 0.00 178.44 178.98 3fy6 h PHE 73 N 0.25 0.28 -0.63 1.13 -1.00 -0.92 -1.34 116.94 114.71 3fy6 h PHE 73 Ca 0.08 0.03 0.03 0.00 2.81 0.00 0.00 57.97 60.92 3fy6 h PHE 73 Cb 0.34 -0.05 -0.04 0.00 3.61 0.00 0.00 35.95 39.80 3fy6 h PHE 73 CO 0.02 0.08 0.38 0.37 -1.61 0.00 0.00 178.31 177.56 3fy6 h GLN 74 N 0.33 0.72 -0.38 1.51 4.15 -1.13 -1.61 115.11 118.71 3fy6 h GLN 74 Ca 0.24 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.59 3fy6 h GLN 74 Cb 0.26 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.77 3fy6 h GLN 74 CO -0.25 0.48 0.16 1.25 -1.93 0.00 0.00 178.83 178.53 3fy6 h HIS 75 N 0.74 0.56 -0.41 3.99 2.76 -0.52 0.16 115.15 122.43 3fy6 h HIS 75 Ca 0.26 -0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.39 3fy6 h HIS 75 Cb 0.04 -0.17 -0.02 0.00 1.55 0.00 0.00 27.41 28.81 3fy6 h HIS 75 CO -0.06 0.50 0.27 0.00 -1.30 0.00 0.00 177.93 177.34 3fy6 h ALA 76 N 1.00 0.53 0.17 5.26 0.00 -1.06 -0.00 119.26 125.16 3fy6 h ALA 76 Ca 0.13 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.00 3fy6 h ALA 76 Cb 0.17 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3fy6 h ALA 76 CO -0.01 -0.00 -0.21 2.35 0.00 0.00 0.00 179.25 181.37 3fy6 h TRP 77 N 0.56 -0.56 -0.54 0.00 7.01 -1.12 -0.55 115.95 120.75 3fy6 h TRP 77 Ca 0.15 0.01 0.04 0.00 2.11 0.00 0.00 58.89 61.20 3fy6 h TRP 77 Cb -0.04 0.23 -0.04 0.00 -2.10 0.00 0.00 29.16 27.20 3fy6 h TRP 77 CO -0.04 -0.31 0.30 -0.07 -2.79 0.00 0.00 178.44 175.52 3fy6 h LEU 78 N -0.44 0.45 -0.46 0.65 3.38 -0.68 0.32 115.31 118.54 3fy6 h LEU 78 Ca 0.01 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3fy6 h LEU 78 Cb 0.43 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 3fy6 h LEU 78 CO -0.08 0.31 0.23 -0.33 0.09 0.00 0.00 178.44 178.66 3fy6 h GLU 79 N 0.58 0.66 -0.76 1.13 4.39 -0.87 -1.69 114.58 118.02 3fy6 h GLU 79 Ca 0.23 -0.09 0.00 0.00 0.34 0.00 0.00 59.36 59.84 3fy6 h GLU 79 Cb 0.10 -0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 28.59 3fy6 h GLU 79 CO -0.14 0.55 0.49 2.35 -1.16 0.00 0.00 179.01 181.10 3fy6 h TRP 80 N 0.60 0.97 -0.34 4.33 7.01 -0.50 -0.34 115.95 127.67 3fy6 h TRP 80 Ca 0.16 0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.16 3fy6 h TRP 80 Cb 0.10 -0.32 -0.02 0.00 -2.10 0.00 0.00 29.16 26.82 3fy6 h TRP 80 CO -0.01 0.62 0.13 -0.09 -2.79 0.00 0.00 178.44 176.30 3fy6 h ARG 81 N 1.03 0.48 -0.64 2.65 2.43 0.10 -0.78 114.38 119.64 3fy6 h ARG 81 Ca 0.28 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 3fy6 h ARG 81 Cb -0.09 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.36 3fy6 h ARG 81 CO -0.06 0.40 0.00 0.36 -1.51 0.00 0.00 179.97 179.16 3fy6 n LYS 82 N -4.40 3.91 -0.97 0.20 2.85 -0.68 -4.93 118.16 114.13 3fy6 n LYS 82 Ca 0.02 -2.60 0.00 0.00 -1.05 0.00 0.00 58.31 54.68 3fy6 n LYS 82 Cb 0.14 -2.00 0.00 0.00 -0.65 0.00 0.00 35.03 32.51 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 0.77 0.51 0.12 2.58 0.00 -0.30 -4.89 105.19 103.98 3fy6 n GLY 83 Ca 0.23 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.38 3fy6 n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fy6 n ALA 84 N 1.00 1.99 -2.68 4.61 0.00 -0.17 -4.68 120.51 120.59 3fy6 n ALA 84 Ca 0.00 0.03 -0.19 0.00 0.00 0.00 0.00 53.44 53.29 3fy6 n ALA 84 Cb 0.07 -1.44 -0.14 0.00 0.00 0.00 0.00 19.45 17.95 3fy6 n ALA 84 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3fy6 s LEU 85 N -4.59 2.09 0.77 0.00 1.43 -1.22 -4.93 118.68 112.23 3fy6 s LEU 85 Ca 0.07 -0.31 -0.02 0.00 -1.03 0.00 0.00 54.13 52.84 3fy6 s LEU 85 Cb 0.11 -0.50 0.15 0.00 0.03 0.00 0.00 46.19 45.98 3fy6 s LEU 85 CO 0.51 0.06 1.06 1.51 0.23 0.00 0.00 176.35 179.71 3fy6 s ASP 86 N -0.68 4.06 0.21 2.29 1.47 -1.26 -4.56 116.67 118.20 3fy6 s ASP 86 Ca 0.02 -0.41 -0.10 0.00 1.18 0.00 0.00 52.55 53.24 3fy6 s ASP 86 Cb -0.06 0.16 0.20 0.00 -0.34 0.00 0.00 42.92 42.88 3fy6 s ASP 86 CO 0.00 -2.07 1.85 0.78 0.68 0.00 0.00 175.17 176.40 3fy6 h ASN 87 N -0.72 0.71 -0.41 2.11 2.35 -1.99 0.43 115.58 118.06 3fy6 h ASN 87 Ca -0.36 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.34 3fy6 h ASN 87 Cb 1.26 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 39.45 3fy6 h ASN 87 CO 0.37 0.49 0.08 0.44 -1.65 0.00 0.00 177.43 177.16 3fy6 h ASP 88 N 0.85 0.70 0.41 5.81 3.32 -1.99 -2.08 116.42 123.44 3fy6 h ASP 88 Ca 0.28 -0.13 -0.30 0.00 0.02 0.00 0.00 57.03 56.91 3fy6 h ASP 88 Cb 0.03 -0.18 0.02 0.00 0.22 0.00 0.00 39.33 39.42 3fy6 h ASP 88 CO -0.11 0.71 -1.31 -0.33 -1.72 0.00 0.00 179.24 176.48 3fy6 h GLU 89 N 0.71 0.43 -0.20 3.56 5.08 -1.67 -2.10 114.58 120.39 3fy6 h GLU 89 Ca 0.15 -0.68 -0.12 0.00 -1.00 0.00 0.00 59.36 57.71 3fy6 h GLU 89 Cb 0.32 0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 3fy6 h GLU 89 CO 0.00 1.31 -0.40 -0.24 -1.00 0.00 0.00 179.01 178.69 3fy6 h VAL 90 N 0.14 1.30 -0.14 3.13 3.04 -0.95 -0.62 116.25 122.15 3fy6 h VAL 90 Ca -0.18 -1.54 0.01 0.00 -1.01 0.00 0.00 66.70 63.97 3fy6 h VAL 90 Cb 2.01 1.59 -0.01 0.00 -2.01 0.00 0.00 31.29 32.87 3fy6 h VAL 90 CO 0.23 0.48 0.08 0.74 -1.01 0.00 0.00 177.57 178.09 3fy6 h THR 91 N 0.38 1.01 -0.00 3.17 2.02 -1.37 -0.74 112.91 117.37 3fy6 h THR 91 Ca 0.03 -0.06 -0.00 0.00 0.77 0.00 0.00 66.41 67.16 3fy6 h THR 91 Cb 0.86 0.83 -0.00 0.00 -1.74 0.00 0.00 68.15 68.10 3fy6 h THR 91 CO 0.07 0.03 0.00 -0.09 0.37 0.00 0.00 175.52 175.90 3fy6 h ARG 92 N 0.17 0.00 -0.39 6.66 2.43 -1.11 -0.97 114.38 121.17 3fy6 h ARG 92 Ca 0.06 -0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.17 3fy6 h ARG 92 Cb -0.00 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 3fy6 h ARG 92 CO -0.03 0.11 0.01 0.93 -1.51 0.00 0.00 179.97 179.48 3fy6 h GLU 93 N -0.10 0.61 -0.19 0.20 4.39 -1.02 -1.53 114.58 116.94 3fy6 h GLU 93 Ca 0.00 -0.14 -0.13 0.00 0.34 0.00 0.00 59.36 59.43 3fy6 h GLU 93 Cb 0.10 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 3fy6 h GLU 93 CO -0.00 0.62 -0.44 -0.07 -1.16 0.00 0.00 179.01 177.96 3fy6 h LEU 94 N 0.58 0.49 -1.44 1.33 3.38 -1.04 -2.85 115.31 115.77 3fy6 h LEU 94 Ca 0.12 -0.23 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 3fy6 h LEU 94 Cb 0.35 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3fy6 h LEU 94 CO 0.01 0.87 -0.28 -0.33 0.09 0.00 0.00 178.44 178.80 3fy6 h GLU 95 N 0.37 0.00 0.00 1.13 5.08 -0.21 -1.16 114.58 119.79 3fy6 h GLU 95 Ca 0.03 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.30 3fy6 h GLU 95 Cb 0.92 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.16 3fy6 h GLU 95 CO 0.08 0.28 -0.42 -0.07 -1.00 0.00 0.00 179.01 177.88 3fy6 h LEU 96 N 0.00 0.00 -0.16 1.33 3.38 -1.13 -0.08 115.31 118.65 3fy6 h LEU 96 Ca -0.00 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.80 3fy6 h LEU 96 Cb 0.51 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.26 3fy6 h LEU 96 CO 0.04 0.42 -0.55 0.58 0.09 0.00 0.00 178.44 179.02 3fy6 h VAL 97 N 0.00 1.33 -0.70 1.22 2.07 -1.07 -2.47 116.25 116.63 3fy6 h VAL 97 Ca -0.00 -1.80 -0.06 0.00 0.82 0.00 0.00 66.70 65.66 3fy6 h VAL 97 Cb 0.80 2.01 -0.03 0.00 -1.52 0.00 0.00 31.29 32.55 3fy6 h VAL 97 CO 0.05 0.56 0.21 0.00 0.02 0.00 0.00 177.57 178.41 3fy6 h ALA 98 N 0.54 0.91 -0.63 1.67 0.00 -1.09 -1.31 119.26 119.36 3fy6 h ALA 98 Ca -0.02 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.70 3fy6 h ALA 98 Cb 1.17 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 3fy6 h ALA 98 CO 0.12 0.60 0.38 0.37 0.00 0.00 0.00 179.25 180.71 3fy6 h GLN 99 N 1.03 0.71 0.18 0.00 4.15 -1.00 -0.73 115.11 119.44 3fy6 h GLN 99 Ca 0.22 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.60 3fy6 h GLN 99 Cb 0.32 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.83 3fy6 h GLN 99 CO -0.01 0.47 -0.16 2.35 -1.93 0.00 0.00 178.83 179.55 3fy6 h TRP 100 N 0.73 -0.43 -0.69 3.99 7.01 -0.92 -0.51 115.95 125.14 3fy6 h TRP 100 Ca 0.26 0.00 0.11 0.00 2.11 0.00 0.00 58.89 61.37 3fy6 h TRP 100 Cb 0.06 0.16 -0.08 0.00 -2.10 0.00 0.00 29.16 27.21 3fy6 h TRP 100 CO -0.06 -0.25 0.29 0.28 -2.79 0.00 0.00 178.44 175.91 3fy6 h VAL 101 N -0.37 0.74 -0.39 2.65 2.07 -0.83 0.14 116.25 120.26 3fy6 h VAL 101 Ca -0.00 -0.16 -0.06 0.00 0.82 0.00 0.00 66.70 67.29 3fy6 h VAL 101 Cb 0.34 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 3fy6 h VAL 101 CO -0.03 0.09 -0.02 0.78 0.02 0.00 0.00 177.57 178.40 3fy6 h ASN 102 N 0.47 0.60 -0.51 0.57 -0.26 -0.74 -1.80 115.58 113.91 3fy6 h ASN 102 Ca 0.36 -0.13 -0.12 0.00 -0.56 0.00 0.00 56.30 55.84 3fy6 h ASN 102 Cb 0.47 -0.16 -0.02 0.00 -1.06 0.00 0.00 38.32 37.56 3fy6 h ASN 102 CO -0.34 0.68 -0.15 0.11 -1.06 0.00 0.00 177.43 176.67 3fy6 h LYS 103 N 0.59 1.02 -0.54 0.81 1.57 0.60 -0.69 116.57 119.92 3fy6 h LYS 103 Ca 0.12 -0.40 0.04 0.00 -1.87 0.00 0.00 60.65 58.54 3fy6 h LYS 103 Cb 0.41 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.62 3fy6 h LYS 103 CO 0.02 1.09 0.29 0.28 -0.57 0.00 0.00 179.45 180.55 3fy6 h VAL 104 N 0.89 0.97 -0.14 0.50 2.07 -0.49 -1.18 116.25 118.87 3fy6 h VAL 104 Ca 0.13 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 3fy6 h VAL 104 Cb 0.73 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 3fy6 h VAL 104 CO 0.06 0.10 0.03 0.74 0.02 0.00 0.00 177.57 178.52 3fy6 h THR 105 N 0.55 1.20 -0.63 2.57 2.02 -1.21 -2.80 112.91 114.61 3fy6 h THR 105 Ca 0.24 -0.64 0.07 0.00 0.77 0.00 0.00 66.41 66.85 3fy6 h THR 105 Cb 0.12 1.36 -0.04 0.00 -1.74 0.00 0.00 68.15 67.85 3fy6 h THR 105 CO -0.15 0.19 0.42 -0.08 0.37 0.00 0.00 175.52 176.27 3fy6 h GLU 106 N 0.03 0.58 -0.41 6.66 4.81 -0.89 -2.51 114.58 122.85 3fy6 h GLU 106 Ca 0.04 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3fy6 h GLU 106 Cb 0.26 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.51 3fy6 h GLU 106 CO 0.00 0.38 0.00 0.00 -0.73 0.00 0.00 179.01 178.66 3fy6 n ALA 107 N -2.48 2.52 -1.68 2.92 0.00 -0.47 -4.96 120.51 116.37 3fy6 n ALA 107 Ca 0.09 -0.67 -0.41 0.00 0.00 0.00 0.00 53.44 52.45 3fy6 n ALA 107 Cb 0.26 -0.98 0.02 0.00 0.00 0.00 0.00 19.45 18.74 3fy6 n ALA 107 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3fy6 n LYS 108 N 0.54 1.73 -1.58 0.00 5.02 -0.95 -4.88 118.16 118.05 3fy6 n LYS 108 Ca 0.12 0.62 -0.46 0.00 -2.02 0.00 0.00 58.31 56.57 3fy6 n LYS 108 Cb 0.35 -2.30 -0.03 0.00 -0.02 0.00 0.00 35.03 33.03 3fy6 n LYS 108 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 3fy6 n PRO 109 N -0.05 1.22 -0.05 1.97 -0.02 -1.26 -4.92 135.00 131.89 3fy6 n PRO 109 Ca 0.08 0.43 0.05 0.00 -2.02 0.00 0.00 63.50 62.04 3fy6 n PRO 109 Cb 0.40 -1.84 0.06 0.00 -0.02 0.00 0.00 33.50 32.10 3fy6 n PRO 109 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3fy6 n ASN 110 N 1.62 2.04 -4.75 2.55 6.94 -1.26 -4.45 115.26 117.95 3fy6 n ASN 110 Ca 0.12 -2.47 -0.30 0.00 -0.02 0.00 0.00 54.58 51.91 3fy6 n ASN 110 Cb 0.29 -0.20 0.11 0.00 -2.36 0.00 0.00 39.78 37.62 3fy6 n ASN 110 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 3fy6 s SER 111 N -1.83 4.00 0.24 0.53 1.04 -1.26 -4.78 113.70 111.64 3fy6 s SER 111 Ca 0.15 1.61 -0.06 0.00 0.48 0.00 0.00 55.95 58.13 3fy6 s SER 111 Cb 0.13 -2.31 0.42 0.00 0.10 0.00 0.00 66.02 64.36 3fy6 s SER 111 CO 0.01 -2.32 1.68 0.44 0.98 0.00 0.00 173.24 174.04 3fy6 h ASP 112 N -1.33 -0.03 -0.15 7.02 3.32 -1.99 -0.94 116.42 122.32 3fy6 h ASP 112 Ca -0.47 0.14 0.02 0.00 0.02 0.00 0.00 57.03 56.74 3fy6 h ASP 112 Cb 1.26 0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.99 3fy6 h ASP 112 CO 0.54 -0.04 0.04 0.15 -1.72 0.00 0.00 179.24 178.21 3fy6 h PHE 113 N 0.25 0.07 0.00 4.55 3.57 -1.99 -1.49 116.94 121.90 3fy6 h PHE 113 Ca 0.39 0.01 -0.18 0.00 3.53 0.00 0.00 57.97 61.72 3fy6 h PHE 113 Cb 0.66 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.37 3fy6 h PHE 113 CO -0.27 0.04 -0.84 -1.49 -2.23 0.00 0.00 178.31 173.51 3fy6 h TRP 114 N 0.11 0.15 -0.48 0.41 -0.00 -1.77 -2.95 115.95 111.42 3fy6 h TRP 114 Ca 0.07 -0.08 -0.11 0.00 -0.00 0.00 0.00 58.89 58.76 3fy6 h TRP 114 Cb 0.05 -0.02 -0.02 0.00 -0.00 0.00 0.00 29.16 29.17 3fy6 h TRP 114 CO -0.12 0.89 -0.13 0.00 -0.00 0.00 0.00 178.44 179.09 3fy6 h ARG 115 N 0.06 0.91 -0.83 0.49 3.08 -1.03 -2.03 114.38 115.02 3fy6 h ARG 115 Ca -0.03 -0.33 0.03 0.00 0.07 0.00 0.00 59.98 59.73 3fy6 h ARG 115 Cb 1.46 -0.06 -0.05 0.00 0.08 0.00 0.00 29.97 31.41 3fy6 h ARG 115 CO 0.12 0.98 0.55 0.87 -1.07 0.00 0.00 179.97 181.42 3fy6 h LYS 116 N 0.81 1.02 0.18 0.04 1.57 -1.26 -3.32 116.57 115.60 3fy6 h LYS 116 Ca 0.13 -0.06 -0.26 0.00 -1.87 0.00 0.00 60.65 58.59 3fy6 h LYS 116 Cb 0.66 -0.23 0.02 0.00 0.08 0.00 0.00 32.23 32.76 3fy6 h LYS 116 CO 0.05 0.67 -1.16 -0.92 -0.57 0.00 0.00 179.45 177.52 3fy6 h TYR 117 N 1.05 0.70 0.00 -1.35 3.20 -1.26 -3.52 116.97 115.79 3fy6 h TYR 117 Ca 0.33 -0.51 0.00 0.00 3.14 0.00 0.00 58.73 61.69 3fy6 h TYR 117 Cb 0.01 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.25 3fy6 h TYR 117 CO -0.00 1.45 0.00 1.97 -1.64 0.00 0.00 178.16 179.93