#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fyy s GLN 2 N 0.00 1.87 -0.06 6.28 -0.21 -1.26 -4.85 119.66 121.42 2fyy s GLN 2 Ca 0.00 -1.26 0.03 0.00 0.02 0.00 0.00 55.36 54.15 2fyy s GLN 2 Cb 0.00 -2.10 0.00 0.00 1.00 0.00 0.00 33.01 31.92 2fyy s GLN 2 CO 0.00 0.45 -0.16 1.03 -2.12 0.00 0.00 175.29 174.49 2fyy s ARG 3 N -2.50 1.90 0.23 2.91 0.52 0.53 -4.94 118.95 117.59 2fyy s ARG 3 Ca 0.21 -0.57 -0.28 0.00 -0.52 0.00 0.00 55.73 54.58 2fyy s ARG 3 Cb -0.09 -1.58 -0.09 0.00 0.52 0.00 0.00 34.95 33.71 2fyy s ARG 3 CO 0.12 0.15 0.89 -0.08 0.02 0.00 0.00 175.30 176.41 2fyy s THR 4 N 0.31 4.18 0.30 0.02 -1.32 -1.26 -1.35 115.64 116.52 2fyy s THR 4 Ca -0.10 1.93 -0.29 0.00 -1.21 0.00 0.00 61.69 62.02 2fyy s THR 4 Cb -0.14 -4.22 -0.10 0.00 -1.51 0.00 0.00 72.50 66.53 2fyy s THR 4 CO 0.04 0.45 1.34 -2.16 -2.21 0.00 0.00 174.62 172.08 2fyy s PRO 5 N -1.32 4.33 0.35 7.08 0.04 -1.26 -4.31 135.00 139.91 2fyy s PRO 5 Ca 0.41 2.23 -0.22 0.00 0.04 0.00 0.00 61.00 63.46 2fyy s PRO 5 Cb -0.24 -3.09 -0.10 0.00 0.04 0.00 0.00 34.50 31.11 2fyy s PRO 5 CO 0.29 -0.26 0.90 0.15 0.04 0.00 0.00 177.00 178.12 2fyy s LYS 6 N -1.31 4.35 -0.06 4.56 1.02 0.87 -4.91 119.74 124.26 2fyy s LYS 6 Ca 0.52 1.13 0.00 0.00 0.02 0.00 0.00 55.97 57.64 2fyy s LYS 6 Cb -0.40 -2.53 0.02 0.00 -0.52 0.00 0.00 37.83 34.40 2fyy s LYS 6 CO 0.50 0.16 -0.05 0.42 -0.92 0.00 0.00 175.35 175.46 2fyy s ILE 7 N -1.86 0.63 -0.07 2.17 1.01 -1.26 -1.96 121.20 119.86 2fyy s ILE 7 Ca 0.54 -0.12 0.04 0.00 0.00 0.00 0.00 60.65 61.11 2fyy s ILE 7 Cb -0.14 -0.68 0.00 0.00 0.01 0.00 0.00 42.46 41.66 2fyy s ILE 7 CO 0.19 0.27 -0.18 -1.10 0.00 0.00 0.00 174.94 174.11 2fyy s GLN 8 N 1.27 2.25 -0.15 2.79 -0.21 -0.52 -5.00 119.66 120.09 2fyy s GLN 8 Ca -0.05 -0.66 0.02 0.00 0.02 0.00 0.00 55.36 54.69 2fyy s GLN 8 Cb -0.14 -1.81 0.01 0.00 1.00 0.00 0.00 33.01 32.07 2fyy s GLN 8 CO -0.02 0.16 -0.20 0.08 -2.12 0.00 0.00 175.29 173.18 2fyy s VAL 9 N 0.34 2.15 0.17 1.09 1.01 -1.26 -0.84 120.40 123.06 2fyy s VAL 9 Ca -0.13 -0.94 -0.24 0.00 0.00 0.00 0.00 61.98 60.67 2fyy s VAL 9 Cb -0.15 -1.88 0.06 0.00 0.00 0.00 0.00 36.38 34.40 2fyy s VAL 9 CO 0.05 0.54 0.84 -0.72 0.00 0.00 0.00 175.10 175.82 2fyy s TYR 10 N 0.95 -0.21 0.15 5.22 1.13 -0.72 -4.40 117.35 119.46 2fyy s TYR 10 Ca -0.03 -0.11 0.03 0.00 -1.41 0.00 0.00 57.07 55.55 2fyy s TYR 10 Cb -0.15 0.64 -0.04 0.00 -1.10 0.00 0.00 41.96 41.32 2fyy s TYR 10 CO -0.05 -0.92 0.24 -1.54 -2.51 0.00 0.00 175.55 170.78 2fyy s SER 11 N -2.86 6.14 0.05 -0.18 1.04 -1.26 -0.11 113.70 116.52 2fyy s SER 11 Ca 0.10 0.10 -0.21 0.00 0.48 0.00 0.00 55.95 56.42 2fyy s SER 11 Cb -0.03 -1.80 -0.13 0.00 0.10 0.00 0.00 66.02 64.17 2fyy s SER 11 CO 0.01 0.06 1.47 -0.09 0.98 0.00 0.00 173.24 175.67 2fyy h ARG 12 N 2.27 0.24 -6.29 4.02 2.43 -1.59 -3.45 114.38 112.01 2fyy h ARG 12 Ca -0.48 -0.08 -0.58 0.00 -0.81 0.00 0.00 59.98 58.02 2fyy h ARG 12 Cb 1.19 -0.02 -0.10 0.00 -0.42 0.00 0.00 29.97 30.62 2fyy h ARG 12 CO 0.68 0.49 -0.65 -1.01 -1.51 0.00 0.00 179.97 177.97 2fyy s HIS 13 N -4.93 2.80 0.13 2.20 3.76 -1.26 -5.04 115.29 112.95 2fyy s HIS 13 Ca -0.14 -0.17 -0.35 0.00 -0.15 0.00 0.00 55.06 54.25 2fyy s HIS 13 Cb 0.05 -1.32 -0.16 0.00 1.11 0.00 0.00 32.58 32.27 2fyy s HIS 13 CO 0.71 0.55 1.27 -2.30 -0.85 0.00 0.00 174.74 174.12 2fyy n PRO 14 N -0.42 1.19 -2.14 8.40 -0.02 -1.26 -4.85 135.00 135.90 2fyy n PRO 14 Ca -0.09 0.43 -0.42 0.00 -2.02 0.00 0.00 63.50 61.40 2fyy n PRO 14 Cb 0.57 -2.01 -0.03 0.00 -0.02 0.00 0.00 33.50 32.01 2fyy n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2fyy s ALA 15 N 0.18 3.62 -0.09 3.55 0.00 -1.26 -5.01 121.76 122.76 2fyy s ALA 15 Ca 0.79 0.84 -0.00 0.00 0.00 0.00 0.00 51.96 53.59 2fyy s ALA 15 Cb -0.90 -3.68 0.02 0.00 0.00 0.00 0.00 23.12 18.57 2fyy s ALA 15 CO 0.49 -1.22 -0.05 -1.21 0.00 0.00 0.00 175.76 173.77 2fyy s GLU 16 N 3.45 1.18 0.13 0.00 2.02 -1.26 -5.12 118.70 119.10 2fyy s GLU 16 Ca 0.67 -0.14 -0.32 0.00 0.02 0.00 0.00 54.97 55.20 2fyy s GLU 16 Cb -0.31 -1.28 -0.11 0.00 0.10 0.00 0.00 34.13 32.53 2fyy s GLU 16 CO 0.26 -0.22 1.82 0.09 0.02 0.00 0.00 175.26 177.22 2fyy n ASN 17 N 4.76 3.99 0.00 -0.19 3.02 -1.26 -2.04 115.26 123.54 2fyy n ASN 17 Ca -0.14 1.00 0.00 0.00 -0.03 0.00 0.00 54.58 55.41 2fyy n ASN 17 Cb 0.50 -1.54 0.00 0.00 -0.61 0.00 0.00 39.78 38.13 2fyy n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2fyy n GLY 18 N 4.17 0.88 3.52 7.41 0.00 -0.70 -5.02 105.19 115.45 2fyy n GLY 18 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 2fyy n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2fyy s LYS 19 N -0.57 3.53 0.41 1.61 2.20 -0.86 -5.01 119.74 121.05 2fyy s LYS 19 Ca 0.00 -0.52 -0.27 0.00 -0.36 0.00 0.00 55.97 54.82 2fyy s LYS 19 Cb 0.00 -2.87 -0.10 0.00 -1.51 0.00 0.00 37.83 33.35 2fyy s LYS 19 CO 0.00 0.32 1.48 0.45 -0.36 0.00 0.00 175.35 177.24 2fyy s SER 20 N 0.16 6.15 0.18 1.43 0.15 -1.26 -4.22 113.70 116.28 2fyy s SER 20 Ca -0.01 3.04 -0.02 0.00 0.70 0.00 0.00 55.95 59.65 2fyy s SER 20 Cb -0.14 -2.67 0.01 0.00 -1.71 0.00 0.00 66.02 61.52 2fyy s SER 20 CO 0.03 -1.00 0.27 -3.20 1.20 0.00 0.00 173.24 170.53 2fyy n ASN 21 N 0.21 -0.76 -4.18 5.45 2.85 0.76 -4.99 115.26 114.60 2fyy n ASN 21 Ca 0.02 -1.91 -0.29 0.00 -0.11 0.00 0.00 54.58 52.28 2fyy n ASN 21 Cb 0.40 1.38 -0.17 0.00 1.24 0.00 0.00 39.78 42.63 2fyy n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 2fyy s PHE 22 N -4.28 2.17 -0.25 1.20 0.40 -1.26 -0.91 117.98 115.05 2fyy s PHE 22 Ca 0.13 -0.79 -0.14 0.00 -0.60 0.00 0.00 56.93 55.53 2fyy s PHE 22 Cb -0.01 -1.47 -0.04 0.00 0.51 0.00 0.00 43.02 42.01 2fyy s PHE 22 CO 0.10 -0.31 0.32 -1.17 0.70 0.00 0.00 175.22 174.86 2fyy s LEU 23 N 0.26 4.07 -0.08 -0.37 2.96 0.76 -1.31 118.68 124.97 2fyy s LEU 23 Ca -0.13 0.27 0.00 0.00 -0.22 0.00 0.00 54.13 54.06 2fyy s LEU 23 Cb -0.16 -2.36 -0.03 0.00 0.50 0.00 0.00 46.19 44.15 2fyy s LEU 23 CO 0.06 -0.11 -0.08 0.20 -1.32 0.00 0.00 176.35 175.11 2fyy s ASN 24 N 1.44 4.56 -0.23 3.68 0.01 0.84 -2.06 114.94 123.17 2fyy s ASN 24 Ca 0.14 -0.08 0.01 0.00 -0.71 0.00 0.00 52.86 52.22 2fyy s ASN 24 Cb -0.15 -1.27 0.06 0.00 0.41 0.00 0.00 41.25 40.29 2fyy s ASN 24 CO 0.09 0.31 -0.07 0.00 -1.51 0.00 0.00 177.10 175.92 2fyy s TYR 26 N 1.35 3.22 -0.13 0.00 5.04 -0.02 -1.07 117.35 125.73 2fyy s TYR 26 Ca -0.06 -0.27 -0.03 0.00 -2.44 0.00 0.00 57.07 54.28 2fyy s TYR 26 Cb -0.19 -2.44 -0.03 0.00 0.35 0.00 0.00 41.96 39.65 2fyy s TYR 26 CO -0.06 -0.37 -0.03 0.14 -1.34 0.00 0.00 175.55 173.89 2fyy s VAL 27 N 1.70 3.98 0.22 3.14 -7.23 -0.46 -1.44 120.40 120.30 2fyy s VAL 27 Ca 0.06 -0.34 -0.13 0.00 -1.81 0.00 0.00 61.98 59.76 2fyy s VAL 27 Cb -0.17 -2.72 -0.00 0.00 0.56 0.00 0.00 36.38 34.05 2fyy s VAL 27 CO 0.10 0.53 0.43 -0.94 -0.31 0.00 0.00 175.10 174.90 2fyy s SER 28 N -0.01 -0.09 -0.70 4.85 1.04 -0.83 -0.63 113.70 117.33 2fyy s SER 28 Ca 0.01 -0.84 0.00 0.00 0.48 0.00 0.00 55.95 55.60 2fyy s SER 28 Cb -0.13 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.53 2fyy s SER 28 CO 0.02 -1.06 0.00 0.61 0.98 0.00 0.00 173.24 173.80 2fyy n GLY 29 N -0.33 0.84 3.91 7.32 0.00 -0.55 -0.09 105.19 116.28 2fyy n GLY 29 Ca -0.04 -0.34 -0.27 0.00 0.00 0.00 0.00 46.02 45.37 2fyy n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2fyy s PHE 30 N -2.05 3.41 -0.27 1.61 -0.12 -1.21 -4.37 117.98 114.97 2fyy s PHE 30 Ca 0.00 0.10 -0.16 0.00 -0.05 0.00 0.00 56.93 56.82 2fyy s PHE 30 Cb 0.00 -1.64 0.08 0.00 -0.63 0.00 0.00 43.02 40.83 2fyy s PHE 30 CO 0.00 0.52 0.67 -1.58 -0.05 0.00 0.00 175.22 174.78 2fyy s HIS 31 N -1.71 -1.01 0.84 3.49 2.46 -0.45 -0.94 115.29 117.96 2fyy s HIS 31 Ca 0.34 2.05 -0.14 0.00 0.47 0.00 0.00 55.06 57.78 2fyy s HIS 31 Cb -0.11 0.58 0.21 0.00 -0.13 0.00 0.00 32.58 33.13 2fyy s HIS 31 CO 0.27 -0.50 0.81 -0.35 -2.47 0.00 0.00 174.74 172.49 2fyy n PRO 32 N 4.19 -2.23 0.14 2.88 -0.04 -1.26 -0.35 135.00 138.34 2fyy n PRO 32 Ca -0.20 -1.28 0.02 0.00 -0.04 0.00 0.00 63.50 62.00 2fyy n PRO 32 Cb 0.58 -1.12 0.08 0.00 -0.04 0.00 0.00 33.50 33.00 2fyy n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2fyy h SER 33 N -2.04 0.00 -2.46 3.54 4.64 -1.99 -3.45 113.55 111.78 2fyy h SER 33 Ca -0.29 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.49 2fyy h SER 33 Cb 0.88 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 63.01 2fyy h SER 33 CO 0.19 0.53 1.09 0.47 -0.87 0.00 0.00 176.83 178.25 2fyy n ASP 34 N -3.32 3.97 -3.66 4.97 9.92 -1.26 -4.97 116.55 122.21 2fyy n ASP 34 Ca 0.01 0.99 -0.14 0.00 -0.53 0.00 0.00 54.79 55.12 2fyy n ASP 34 Cb 0.71 -1.53 -0.08 0.00 -0.64 0.00 0.00 41.12 39.57 2fyy n ASP 34 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 2fyy s ILE 35 N 2.68 0.01 -0.21 0.53 2.07 -1.26 -4.64 121.20 120.37 2fyy s ILE 35 Ca 0.82 -0.05 -0.04 0.00 -1.41 0.00 0.00 60.65 59.98 2fyy s ILE 35 Cb -0.50 -0.82 -0.01 0.00 0.13 0.00 0.00 42.46 41.26 2fyy s ILE 35 CO 0.38 -0.03 -0.04 -0.70 -1.91 0.00 0.00 174.94 172.64 2fyy s GLU 36 N -0.12 3.41 -0.08 3.50 2.12 -0.26 -4.99 118.70 122.29 2fyy s GLU 36 Ca -0.03 -0.61 0.00 0.00 0.36 0.00 0.00 54.97 54.69 2fyy s GLU 36 Cb -0.03 -2.99 0.02 0.00 0.26 0.00 0.00 34.13 31.39 2fyy s GLU 36 CO 0.03 -0.13 -0.06 0.08 -0.54 0.00 0.00 175.26 174.63 2fyy s VAL 37 N 1.31 0.81 0.03 3.70 1.01 -1.26 -0.49 120.40 125.50 2fyy s VAL 37 Ca 0.04 -0.21 0.06 0.00 0.00 0.00 0.00 61.98 61.87 2fyy s VAL 37 Cb -0.14 -0.83 -0.02 0.00 0.00 0.00 0.00 36.38 35.39 2fyy s VAL 37 CO -0.02 0.31 -0.17 -1.81 0.00 0.00 0.00 175.10 173.41 2fyy s ASP 38 N 1.35 2.01 -0.15 3.32 1.01 -0.28 -4.99 116.67 118.94 2fyy s ASP 38 Ca -0.03 -0.44 -0.09 0.00 0.71 0.00 0.00 52.55 52.70 2fyy s ASP 38 Cb -0.14 -0.17 -0.04 0.00 1.01 0.00 0.00 42.92 43.58 2fyy s ASP 38 CO -0.03 0.12 0.15 -0.76 0.21 0.00 0.00 175.17 174.86 2fyy s LEU 39 N -0.98 4.32 -0.05 1.23 1.43 -1.26 -0.14 118.68 123.24 2fyy s LEU 39 Ca 0.05 0.39 0.05 0.00 -1.03 0.00 0.00 54.13 53.59 2fyy s LEU 39 Cb -0.08 -2.11 -0.02 0.00 0.03 0.00 0.00 46.19 44.01 2fyy s LEU 39 CO 0.01 0.31 -0.18 -0.76 0.23 0.00 0.00 176.35 175.95 2fyy s LEU 40 N -0.43 2.49 -0.26 1.79 1.43 0.41 -0.94 118.68 123.16 2fyy s LEU 40 Ca 0.13 -0.30 -0.00 0.00 -1.03 0.00 0.00 54.13 52.92 2fyy s LEU 40 Cb -0.12 -1.48 0.04 0.00 0.03 0.00 0.00 46.19 44.66 2fyy s LEU 40 CO 0.02 0.32 -0.06 -0.75 0.23 0.00 0.00 176.35 176.11 2fyy s LYS 41 N -0.60 2.57 -1.31 1.70 2.20 0.60 -2.20 119.74 122.71 2fyy s LYS 41 Ca 0.09 -1.15 -0.05 0.00 -0.36 0.00 0.00 55.97 54.49 2fyy s LYS 41 Cb -0.11 -3.00 0.03 0.00 -1.51 0.00 0.00 37.83 33.24 2fyy s LYS 41 CO 0.01 -0.50 0.37 0.09 -0.36 0.00 0.00 175.35 174.95 2fyy n ASN 42 N 4.60 -4.43 0.00 1.43 3.02 0.08 -1.41 115.26 118.55 2fyy n ASN 42 Ca -0.15 -0.19 0.00 0.00 -0.03 0.00 0.00 54.58 54.21 2fyy n ASN 42 Cb 0.45 -3.66 0.00 0.00 -0.61 0.00 0.00 39.78 35.96 2fyy n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2fyy n GLY 43 N -1.15 2.23 3.82 7.41 0.00 -1.26 -5.06 105.19 111.18 2fyy n GLY 43 Ca -0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.57 2fyy n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2fyy s GLU 44 N -0.86 3.84 0.08 1.61 2.02 -0.50 -4.98 118.70 119.91 2fyy s GLU 44 Ca 0.00 0.12 -0.31 0.00 0.02 0.00 0.00 54.97 54.80 2fyy s GLU 44 Cb 0.00 -3.27 -0.08 0.00 0.10 0.00 0.00 34.13 30.88 2fyy s GLU 44 CO 0.00 0.59 1.59 0.50 0.02 0.00 0.00 175.26 177.96 2fyy s ARG 45 N -0.61 4.22 0.09 1.61 3.52 -1.26 -0.29 118.95 126.22 2fyy s ARG 45 Ca 0.18 2.27 -0.30 0.00 -0.13 0.00 0.00 55.73 57.75 2fyy s ARG 45 Cb -0.14 -3.51 -0.05 0.00 -1.56 0.00 0.00 34.95 29.69 2fyy s ARG 45 CO 0.07 -0.68 1.00 0.42 -0.81 0.00 0.00 175.30 175.31 2fyy s ILE 46 N 2.30 4.47 -0.01 4.11 1.01 -0.12 -4.90 121.20 128.05 2fyy s ILE 46 Ca 0.71 1.96 -0.08 0.00 0.00 0.00 0.00 60.65 63.24 2fyy s ILE 46 Cb -0.39 -4.25 -0.04 0.00 0.01 0.00 0.00 42.46 37.79 2fyy s ILE 46 CO 0.31 0.26 0.58 -0.33 0.00 0.00 0.00 174.94 175.76 2fyy h GLU 47 N 5.92 -0.27 -1.89 2.79 5.08 -1.94 -3.38 114.58 120.87 2fyy h GLU 47 Ca -0.42 0.02 -0.31 0.00 -1.00 0.00 0.00 59.36 57.65 2fyy h GLU 47 Cb 1.21 0.06 -0.11 0.00 0.50 0.00 0.00 28.75 30.41 2fyy h GLU 47 CO 0.73 -0.18 0.12 1.63 -1.00 0.00 0.00 179.01 180.32 2fyy n LYS 48 N -3.40 1.97 -2.54 2.33 5.02 -1.26 -4.93 118.16 115.36 2fyy n LYS 48 Ca -0.03 -1.49 -0.42 0.00 -2.02 0.00 0.00 58.31 54.35 2fyy n LYS 48 Cb 0.11 -1.84 -0.03 0.00 -0.02 0.00 0.00 35.03 33.25 2fyy n LYS 48 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2fyy s VAL 49 N -1.04 4.39 0.34 -0.18 1.01 -1.26 -4.88 120.40 118.77 2fyy s VAL 49 Ca 0.47 1.71 0.07 0.00 0.00 0.00 0.00 61.98 64.24 2fyy s VAL 49 Cb 0.28 -4.10 -0.02 0.00 0.00 0.00 0.00 36.38 32.55 2fyy s VAL 49 CO -0.08 0.09 0.41 -1.61 0.00 0.00 0.00 175.10 173.91 2fyy s GLU 50 N 1.39 2.98 0.05 2.72 2.02 -0.60 -4.93 118.70 122.34 2fyy s GLU 50 Ca 0.55 -1.11 -0.05 0.00 0.02 0.00 0.00 54.97 54.37 2fyy s GLU 50 Cb -0.25 -2.70 -0.01 0.00 0.10 0.00 0.00 34.13 31.27 2fyy s GLU 50 CO 0.26 0.07 0.10 -3.38 0.02 0.00 0.00 175.26 172.33 2fyy s HIS 51 N -2.22 0.25 0.86 1.61 -3.43 -1.26 -0.83 115.29 110.27 2fyy s HIS 51 Ca 0.44 -0.63 -0.11 0.00 -0.80 0.00 0.00 55.06 53.95 2fyy s HIS 51 Cb -0.08 -0.17 0.11 0.00 -1.43 0.00 0.00 32.58 31.01 2fyy s HIS 51 CO 0.29 -0.41 1.09 -1.54 -2.00 0.00 0.00 174.74 172.17 2fyy s SER 52 N -2.47 3.85 0.33 7.38 1.04 0.04 -4.98 113.70 118.88 2fyy s SER 52 Ca -0.00 1.44 -0.27 0.00 0.48 0.00 0.00 55.95 57.60 2fyy s SER 52 Cb 0.02 -2.14 -0.09 0.00 0.10 0.00 0.00 66.02 63.91 2fyy s SER 52 CO -0.07 -2.40 1.06 -1.81 0.98 0.00 0.00 173.24 171.00 2fyy s ASP 53 N -3.58 7.11 0.06 7.02 1.01 -1.26 -4.76 116.67 122.27 2fyy s ASP 53 Ca 0.62 2.13 -0.31 0.00 0.71 0.00 0.00 52.55 55.70 2fyy s ASP 53 Cb -0.17 -2.61 -0.10 0.00 1.01 0.00 0.00 42.92 41.05 2fyy s ASP 53 CO 0.56 -0.25 1.90 -0.11 0.21 0.00 0.00 175.17 177.49 2fyy n LEU 54 N 0.69 4.02 -4.26 1.23 7.94 -1.26 -4.94 117.00 120.42 2fyy n LEU 54 Ca 0.01 0.95 -0.18 0.00 -1.11 0.00 0.00 56.01 55.68 2fyy n LEU 54 Cb 0.47 -1.51 -0.08 0.00 0.53 0.00 0.00 43.42 42.82 2fyy n LEU 54 CO 0.50 0.15 -0.13 -0.55 -1.11 0.00 0.00 177.39 176.25 2fyy s SER 55 N 3.67 1.35 0.11 1.96 0.15 -1.25 -5.07 113.70 114.63 2fyy s SER 55 Ca 0.86 -1.68 -0.06 0.00 0.70 0.00 0.00 55.95 55.78 2fyy s SER 55 Cb -0.49 0.53 -0.02 0.00 -1.71 0.00 0.00 66.02 64.33 2fyy s SER 55 CO 0.41 -1.03 0.14 0.72 1.20 0.00 0.00 173.24 174.69 2fyy s PHE 56 N -3.57 0.42 0.75 3.44 -0.71 -1.26 -2.00 117.98 115.04 2fyy s PHE 56 Ca 0.40 -0.85 -0.02 0.00 -1.04 0.00 0.00 56.93 55.42 2fyy s PHE 56 Cb 0.03 -0.21 0.14 0.00 -1.21 0.00 0.00 43.02 41.77 2fyy s PHE 56 CO 0.24 -0.55 1.03 -1.12 -1.34 0.00 0.00 175.22 173.49 2fyy s SER 57 N -2.93 4.20 0.53 1.98 0.01 0.30 -4.94 113.70 112.85 2fyy s SER 57 Ca 0.12 -0.33 0.23 0.00 1.31 0.00 0.00 55.95 57.28 2fyy s SER 57 Cb 0.06 0.00 1.45 0.00 0.21 0.00 0.00 66.02 67.74 2fyy s SER 57 CO -0.06 -1.97 2.13 0.11 0.41 0.00 0.00 173.24 173.87 2fyy h LYS 58 N -0.65 0.00 -0.32 12.44 1.57 -2.03 -0.73 116.57 126.86 2fyy h LYS 58 Ca -0.37 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 2fyy h LYS 58 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.57 2fyy h LYS 58 CO 0.39 0.07 0.00 -0.40 -0.57 0.00 0.00 179.45 178.94 2fyy n ASP 59 N -4.03 1.57 0.00 0.86 5.68 -1.26 -4.91 116.55 114.46 2fyy n ASP 59 Ca -0.03 -2.03 0.00 0.00 -0.50 0.00 0.00 54.79 52.24 2fyy n ASP 59 Cb 0.16 -0.21 0.00 0.00 -1.14 0.00 0.00 41.12 39.92 2fyy n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 2fyy n TRP 60 N 0.29 0.00 -2.44 2.11 7.02 -0.28 -5.01 117.44 119.14 2fyy n TRP 60 Ca 0.09 0.00 -0.37 0.00 -1.02 0.00 0.00 57.50 56.20 2fyy n TRP 60 Cb 0.26 -0.18 -0.03 0.00 -2.42 0.00 0.00 31.31 28.94 2fyy n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2fyy s SER 61 N -3.29 6.60 0.45 -0.99 1.04 -1.26 -4.67 113.70 111.56 2fyy s SER 61 Ca 0.00 2.15 -0.08 0.00 0.48 0.00 0.00 55.95 58.50 2fyy s SER 61 Cb 0.00 -2.59 -0.05 0.00 0.10 0.00 0.00 66.02 63.48 2fyy s SER 61 CO 0.00 -0.61 0.78 -0.36 0.98 0.00 0.00 173.24 174.03 2fyy s PHE 62 N -1.58 3.52 0.00 5.02 0.08 -0.12 -0.54 117.98 124.36 2fyy s PHE 62 Ca 0.59 0.94 -0.03 0.00 0.12 0.00 0.00 56.93 58.55 2fyy s PHE 62 Cb -0.25 -2.38 -0.00 0.00 -0.57 0.00 0.00 43.02 39.81 2fyy s PHE 62 CO 0.31 -0.20 0.06 1.52 -0.10 0.00 0.00 175.22 176.81 2fyy s TYR 63 N -2.57 0.09 -0.04 0.36 -0.85 -0.85 -1.49 117.35 112.00 2fyy s TYR 63 Ca 0.49 -0.19 -0.07 0.00 -0.52 0.00 0.00 57.07 56.79 2fyy s TYR 63 Cb -0.10 -0.08 0.01 0.00 0.38 0.00 0.00 41.96 42.17 2fyy s TYR 63 CO 0.38 -0.18 0.17 -0.51 -1.52 0.00 0.00 175.55 173.90 2fyy s LEU 64 N -1.01 1.37 -0.21 -3.49 1.43 0.19 -3.81 118.68 113.14 2fyy s LEU 64 Ca -0.11 0.17 -0.05 0.00 -1.03 0.00 0.00 54.13 53.11 2fyy s LEU 64 Cb -0.07 0.67 -0.02 0.00 0.03 0.00 0.00 46.19 46.80 2fyy s LEU 64 CO 0.00 -0.18 -0.00 -0.22 0.23 0.00 0.00 176.35 176.18 2fyy s LEU 65 N -0.45 3.16 -0.12 1.79 2.96 -1.26 -1.36 118.68 123.40 2fyy s LEU 65 Ca -0.05 -0.27 -0.05 0.00 -0.22 0.00 0.00 54.13 53.54 2fyy s LEU 65 Cb -0.04 -1.81 -0.04 0.00 0.50 0.00 0.00 46.19 44.81 2fyy s LEU 65 CO 0.01 0.02 0.05 -0.31 -1.32 0.00 0.00 176.35 174.80 2fyy s TYR 66 N 1.25 3.29 -0.04 5.38 1.51 -0.24 -0.78 117.35 127.72 2fyy s TYR 66 Ca 0.03 0.23 -0.17 0.00 -1.01 0.00 0.00 57.07 56.15 2fyy s TYR 66 Cb -0.15 -1.90 0.03 0.00 -0.11 0.00 0.00 41.96 39.83 2fyy s TYR 66 CO 0.01 0.44 0.38 1.52 -1.11 0.00 0.00 175.55 176.78 2fyy s TYR 67 N -0.56 -0.29 0.01 2.71 1.13 -0.01 -0.38 117.35 119.96 2fyy s TYR 67 Ca 0.10 0.52 -0.15 0.00 -1.41 0.00 0.00 57.07 56.14 2fyy s TYR 67 Cb -0.12 0.15 0.02 0.00 -1.10 0.00 0.00 41.96 40.91 2fyy s TYR 67 CO 0.02 -0.39 0.31 -0.08 -2.51 0.00 0.00 175.55 172.90 2fyy s THR 68 N -1.07 0.07 0.26 -3.49 -1.32 -0.87 -1.55 115.64 107.66 2fyy s THR 68 Ca -0.11 -0.56 -0.30 0.00 -1.21 0.00 0.00 61.69 59.52 2fyy s THR 68 Cb -0.04 -0.75 -0.09 0.00 -1.51 0.00 0.00 72.50 70.10 2fyy s THR 68 CO 0.04 -0.31 1.29 -1.83 -2.21 0.00 0.00 174.62 171.61 2fyy s GLU 69 N -1.82 4.41 0.08 7.08 -1.05 -1.26 -0.17 118.70 125.97 2fyy s GLU 69 Ca -0.10 2.09 -0.15 0.00 -0.15 0.00 0.00 54.97 56.66 2fyy s GLU 69 Cb -0.03 -3.15 0.03 0.00 -0.44 0.00 0.00 34.13 30.54 2fyy s GLU 69 CO 0.01 -0.17 0.36 -0.59 0.95 0.00 0.00 175.26 175.82 2fyy s PHE 70 N -0.50 -0.16 -0.30 4.83 -0.71 -0.08 -4.84 117.98 116.22 2fyy s PHE 70 Ca 0.52 -0.06 0.03 0.00 -1.04 0.00 0.00 56.93 56.38 2fyy s PHE 70 Cb -0.37 0.18 0.07 0.00 -1.21 0.00 0.00 43.02 41.69 2fyy s PHE 70 CO 0.44 -0.61 -0.04 0.99 -1.34 0.00 0.00 175.22 174.66 2fyy s THR 71 N -3.23 2.31 0.39 -4.49 2.01 -1.26 -0.17 115.64 111.20 2fyy s THR 71 Ca -0.00 -1.88 -0.26 0.00 0.31 0.00 0.00 61.69 59.86 2fyy s THR 71 Cb 0.01 -2.49 -0.09 0.00 0.01 0.00 0.00 72.50 69.95 2fyy s THR 71 CO -0.08 -0.25 1.23 -2.84 -0.69 0.00 0.00 174.62 171.99 2fyy s PRO 72 N 1.04 4.08 0.28 4.92 0.02 -1.26 -4.83 135.00 139.25 2fyy s PRO 72 Ca -0.01 2.00 0.03 0.00 0.02 0.00 0.00 61.00 63.03 2fyy s PRO 72 Cb -0.20 -2.77 -0.01 0.00 0.02 0.00 0.00 34.50 31.54 2fyy s PRO 72 CO -0.06 -0.35 0.10 0.25 -0.33 0.00 0.00 177.00 176.62 2fyy n THR 73 N 0.22 0.00 0.06 0.99 -2.24 -1.26 -1.73 114.28 110.32 2fyy n THR 73 Ca 0.03 -1.63 -0.15 0.00 -2.27 0.00 0.00 64.05 60.04 2fyy n THR 73 Cb 0.45 0.59 -0.06 0.00 -2.10 0.00 0.00 70.33 69.21 2fyy n THR 73 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2fyy h GLU 74 N 0.00 0.50 0.04 -0.78 4.81 -1.99 -3.38 114.58 113.78 2fyy h GLU 74 Ca -0.22 -0.53 -0.36 0.00 -0.13 0.00 0.00 59.36 58.13 2fyy h GLU 74 Cb 0.83 0.15 -0.05 0.00 0.63 0.00 0.00 28.75 30.31 2fyy h GLU 74 CO 0.34 1.16 -2.14 1.63 -0.73 0.00 0.00 179.01 179.28 2fyy n LYS 75 N -3.79 0.69 -2.01 1.92 5.02 -1.26 -4.93 118.16 113.80 2fyy n LYS 75 Ca -0.08 0.18 -0.42 0.00 -2.02 0.00 0.00 58.31 55.97 2fyy n LYS 75 Cb 0.84 -1.64 -0.03 0.00 -0.02 0.00 0.00 35.03 34.18 2fyy n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2fyy s ASP 76 N -6.34 6.68 -0.17 4.39 1.01 -1.26 -5.00 116.67 115.97 2fyy s ASP 76 Ca -0.19 2.36 -0.11 0.00 0.71 0.00 0.00 52.55 55.33 2fyy s ASP 76 Cb 0.07 -2.56 -0.05 0.00 1.01 0.00 0.00 42.92 41.40 2fyy s ASP 76 CO 0.75 -0.85 0.18 -1.83 0.21 0.00 0.00 175.17 173.64 2fyy s GLU 77 N 2.73 4.05 0.12 8.23 -1.05 -1.26 -4.68 118.70 126.84 2fyy s GLU 77 Ca 0.71 -0.10 0.09 0.00 -0.15 0.00 0.00 54.97 55.52 2fyy s GLU 77 Cb -0.37 -3.37 -0.04 0.00 -0.44 0.00 0.00 34.13 29.91 2fyy s GLU 77 CO 0.30 0.39 -0.17 0.71 0.95 0.00 0.00 175.26 177.45 2fyy s TYR 78 N 0.06 2.57 0.20 4.83 2.02 -1.26 -0.74 117.35 125.02 2fyy s TYR 78 Ca 0.12 -0.25 -0.17 0.00 -0.37 0.00 0.00 57.07 56.41 2fyy s TYR 78 Cb -0.12 -1.35 0.02 0.00 -0.40 0.00 0.00 41.96 40.11 2fyy s TYR 78 CO 0.01 0.40 0.51 0.00 -1.57 0.00 0.00 175.55 174.90 2fyy s ALA 79 N -1.18 -0.84 -0.12 3.71 0.00 -0.93 -0.03 121.76 122.37 2fyy s ALA 79 Ca 0.19 -0.31 0.03 0.00 0.00 0.00 0.00 51.96 51.86 2fyy s ALA 79 Cb -0.11 0.86 0.01 0.00 0.00 0.00 0.00 23.12 23.89 2fyy s ALA 79 CO 0.11 -0.80 -0.21 0.00 0.00 0.00 0.00 175.76 174.85 2fyy s ARG 81 N 0.67 3.43 -0.11 0.00 3.52 0.81 -2.06 118.95 125.21 2fyy s ARG 81 Ca -0.11 -0.65 0.03 0.00 -0.13 0.00 0.00 55.73 54.87 2fyy s ARG 81 Cb -0.16 -3.51 0.00 0.00 -1.56 0.00 0.00 34.95 29.72 2fyy s ARG 81 CO 0.02 -0.35 -0.22 0.08 -0.81 0.00 0.00 175.30 174.02 2fyy s VAL 82 N 1.62 2.19 -0.03 7.11 1.01 -0.52 -1.13 120.40 130.65 2fyy s VAL 82 Ca 0.05 -0.96 0.07 0.00 0.00 0.00 0.00 61.98 61.14 2fyy s VAL 82 Cb -0.17 -1.86 -0.02 0.00 0.00 0.00 0.00 36.38 34.34 2fyy s VAL 82 CO 0.06 0.55 -0.25 0.21 0.00 0.00 0.00 175.10 175.67 2fyy s ASN 83 N 0.47 2.97 0.07 3.32 3.04 0.36 -0.74 114.94 124.43 2fyy s ASN 83 Ca -0.15 -0.47 -0.17 0.00 0.04 0.00 0.00 52.86 52.12 2fyy s ASN 83 Cb -0.17 -0.44 0.03 0.00 -1.54 0.00 0.00 41.25 39.13 2fyy s ASN 83 CO 0.06 0.30 0.39 -2.28 -3.04 0.00 0.00 177.10 172.53 2fyy s HIS 84 N -0.50 -0.22 0.57 0.43 2.46 -1.26 -1.10 115.29 115.67 2fyy s HIS 84 Ca 0.07 0.07 0.27 0.00 0.47 0.00 0.00 55.06 55.94 2fyy s HIS 84 Cb -0.11 0.21 1.64 0.00 -0.13 0.00 0.00 32.58 34.20 2fyy s HIS 84 CO 0.00 -0.60 2.17 -0.24 -2.47 0.00 0.00 174.74 173.59 2fyy h VAL 85 N 2.82 0.60 0.00 0.89 3.04 -1.95 -0.51 116.25 121.14 2fyy h VAL 85 Ca -0.32 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.37 2fyy h VAL 85 Cb 1.22 0.93 0.00 0.00 -2.01 0.00 0.00 31.29 31.43 2fyy h VAL 85 CO 0.45 0.00 0.00 0.71 -1.01 0.00 0.00 177.57 177.72 2fyy h THR 86 N 0.00 0.00 -3.12 3.17 1.35 -1.92 -3.44 112.91 108.95 2fyy h THR 86 Ca 0.05 -0.66 -0.62 0.00 -0.55 0.00 0.00 66.41 64.62 2fyy h THR 86 Cb 0.24 1.64 -0.12 0.00 -1.73 0.00 0.00 68.15 68.18 2fyy h THR 86 CO -0.00 0.00 -0.51 -0.76 -0.25 0.00 0.00 175.52 174.00 2fyy s LEU 87 N -5.95 4.14 0.32 3.87 1.43 -0.20 -4.98 118.68 117.31 2fyy s LEU 87 Ca 0.04 0.25 0.17 0.00 -1.03 0.00 0.00 54.13 53.56 2fyy s LEU 87 Cb 0.08 -2.05 0.26 0.00 0.03 0.00 0.00 46.19 44.51 2fyy s LEU 87 CO 0.58 0.24 1.54 0.77 0.23 0.00 0.00 176.35 179.71 2fyy h SER 88 N 6.20 0.00 -3.83 2.29 4.64 -1.86 -3.43 113.55 117.57 2fyy h SER 88 Ca -0.44 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 60.68 2fyy h SER 88 Cb 1.17 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 63.00 2fyy h SER 88 CO 0.70 0.42 -0.61 -1.58 -0.87 0.00 0.00 176.83 174.89 2fyy s GLN 89 N -3.14 0.13 0.13 4.77 2.00 -1.26 -5.13 119.66 117.16 2fyy s GLN 89 Ca 0.03 0.10 -0.35 0.00 -2.00 0.00 0.00 55.36 53.15 2fyy s GLN 89 Cb 0.08 0.06 -0.15 0.00 0.80 0.00 0.00 33.01 33.80 2fyy s GLN 89 CO 0.72 -0.02 1.49 -2.30 -0.50 0.00 0.00 175.29 174.68 2fyy n PRO 90 N 2.95 1.76 -3.33 1.67 -0.02 -1.26 -4.95 135.00 131.83 2fyy n PRO 90 Ca -0.13 0.64 -0.38 0.00 -2.02 0.00 0.00 63.50 61.61 2fyy n PRO 90 Cb 0.59 -2.36 -0.06 0.00 -0.02 0.00 0.00 33.50 31.65 2fyy n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2fyy s LYS 91 N 0.76 4.33 -0.23 -0.52 2.20 0.08 -4.88 119.74 121.48 2fyy s LYS 91 Ca 0.81 0.43 -0.08 0.00 -0.36 0.00 0.00 55.97 56.77 2fyy s LYS 91 Cb -0.79 -3.43 -0.03 0.00 -1.51 0.00 0.00 37.83 32.07 2fyy s LYS 91 CO 0.41 0.17 0.08 0.42 -0.36 0.00 0.00 175.35 176.06 2fyy s ILE 92 N 0.61 4.50 -0.21 5.43 -1.09 -1.26 -1.44 121.20 127.74 2fyy s ILE 92 Ca 0.25 -0.11 -0.00 0.00 -2.23 0.00 0.00 60.65 58.56 2fyy s ILE 92 Cb -0.15 -3.09 0.02 0.00 -1.58 0.00 0.00 42.46 37.66 2fyy s ILE 92 CO 0.10 0.36 -0.13 -0.69 -1.23 0.00 0.00 174.94 173.36 2fyy s VAL 93 N 1.29 2.50 0.42 2.92 1.01 -0.87 -4.99 120.40 122.68 2fyy s VAL 93 Ca 0.05 -0.97 -0.23 0.00 0.00 0.00 0.00 61.98 60.83 2fyy s VAL 93 Cb -0.15 -2.18 -0.09 0.00 0.00 0.00 0.00 36.38 33.96 2fyy s VAL 93 CO 0.04 0.36 1.01 -0.54 0.00 0.00 0.00 175.10 175.97 2fyy s LYS 94 N 1.31 4.15 -0.08 2.72 1.02 -1.26 -1.15 119.74 126.44 2fyy s LYS 94 Ca 0.02 1.35 -0.30 0.00 0.02 0.00 0.00 55.97 57.07 2fyy s LYS 94 Cb -0.15 -2.37 -0.03 0.00 -0.52 0.00 0.00 37.83 34.76 2fyy s LYS 94 CO -0.08 -0.13 1.17 -0.46 -0.92 0.00 0.00 175.35 174.93 2fyy s TRP 95 N -1.86 3.20 -0.16 3.18 -0.00 0.95 -4.87 118.94 119.38 2fyy s TRP 95 Ca 0.60 1.25 0.01 0.00 -0.00 0.00 0.00 56.10 57.97 2fyy s TRP 95 Cb -0.17 -3.39 0.02 0.00 -0.00 0.00 0.00 33.47 29.93 2fyy s TRP 95 CO 0.21 -1.17 -0.19 0.34 -0.00 0.00 0.00 176.95 176.14 2fyy s ASP 96 N 1.47 2.98 0.23 5.86 -1.08 -1.26 -4.77 116.67 120.10 2fyy s ASP 96 Ca 0.54 -0.59 0.22 0.00 -0.52 0.00 0.00 52.55 52.20 2fyy s ASP 96 Cb -0.23 -1.38 0.94 0.00 -1.46 0.00 0.00 42.92 40.78 2fyy s ASP 96 CO 0.20 -0.00 1.67 -2.11 0.52 0.00 0.00 175.17 175.44 2fyy n ARG 97 N 4.56 0.16 -0.11 4.34 1.85 -1.26 -1.55 116.66 124.65 2fyy n ARG 97 Ca -0.20 0.42 0.11 0.00 -1.00 0.00 0.00 57.85 57.18 2fyy n ARG 97 Cb 0.50 -1.83 0.30 0.00 -1.05 0.00 0.00 32.46 30.39 2fyy n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2fyy n ASP 98 N -2.14 2.40 0.00 2.89 8.00 -1.26 -4.89 116.55 121.55 2fyy n ASP 98 Ca 0.02 -1.83 0.00 0.00 0.71 0.00 0.00 54.79 53.69 2fyy n ASP 98 Cb 0.20 -0.15 0.00 0.00 -0.02 0.00 0.00 41.12 41.15 2fyy n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04