#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fqw s ARG 2 N 0.00 2.95 0.24 -1.09 0.52 -0.73 -4.97 118.95 115.87 3fqw s ARG 2 Ca 0.00 -0.83 -0.17 0.00 -0.52 0.00 0.00 55.73 54.21 3fqw s ARG 2 Cb 0.00 -2.36 -0.08 0.00 0.52 0.00 0.00 34.95 33.03 3fqw s ARG 2 CO 0.00 0.01 0.70 -0.08 0.02 0.00 0.00 175.30 175.95 3fqw s THR 3 N 0.75 4.65 0.29 0.02 -1.32 -1.26 -1.56 115.64 117.21 3fqw s THR 3 Ca -0.09 1.11 -0.29 0.00 -1.21 0.00 0.00 61.69 61.20 3fqw s THR 3 Cb -0.16 -3.77 -0.10 0.00 -1.51 0.00 0.00 72.50 66.96 3fqw s THR 3 CO -0.00 0.10 1.30 -2.84 -2.21 0.00 0.00 174.62 170.97 3fqw s PRO 4 N -2.27 4.38 0.37 7.08 0.02 -1.26 -4.38 135.00 138.94 3fqw s PRO 4 Ca 0.45 2.15 -0.22 0.00 0.02 0.00 0.00 61.00 63.41 3fqw s PRO 4 Cb -0.15 -3.11 -0.10 0.00 0.02 0.00 0.00 34.50 31.16 3fqw s PRO 4 CO 0.20 -0.19 0.90 0.15 -0.33 0.00 0.00 177.00 177.73 3fqw s LYS 5 N -1.22 4.31 -0.05 5.54 1.02 0.10 -4.90 119.74 124.55 3fqw s LYS 5 Ca 0.51 1.11 0.01 0.00 0.02 0.00 0.00 55.97 57.62 3fqw s LYS 5 Cb -0.39 -2.46 0.02 0.00 -0.52 0.00 0.00 37.83 34.49 3fqw s LYS 5 CO 0.47 0.12 -0.05 0.42 -0.92 0.00 0.00 175.35 175.40 3fqw s ILE 6 N -1.93 0.58 -0.06 2.17 1.01 -1.26 -1.63 121.20 120.08 3fqw s ILE 6 Ca 0.56 -0.13 0.04 0.00 0.00 0.00 0.00 60.65 61.12 3fqw s ILE 6 Cb -0.13 -0.60 0.00 0.00 0.01 0.00 0.00 42.46 41.74 3fqw s ILE 6 CO 0.18 0.24 -0.17 -1.10 0.00 0.00 0.00 174.94 174.08 3fqw s GLN 7 N 1.01 2.02 -0.11 2.79 -0.21 -0.39 -4.99 119.66 119.78 3fqw s GLN 7 Ca -0.09 -0.61 0.03 0.00 0.02 0.00 0.00 55.36 54.70 3fqw s GLN 7 Cb -0.14 -1.67 -0.01 0.00 1.00 0.00 0.00 33.01 32.19 3fqw s GLN 7 CO -0.00 0.17 -0.20 0.54 -2.12 0.00 0.00 175.29 173.67 3fqw s VAL 8 N 0.29 2.40 0.08 1.09 0.11 -1.26 -0.38 120.40 122.73 3fqw s VAL 8 Ca -0.10 -0.90 -0.27 0.00 -2.93 0.00 0.00 61.98 57.78 3fqw s VAL 8 Cb -0.14 -1.95 0.08 0.00 -1.53 0.00 0.00 36.38 32.84 3fqw s VAL 8 CO 0.04 0.55 0.98 -0.72 -3.33 0.00 0.00 175.10 172.62 3fqw s TYR 9 N 0.32 -0.18 0.11 1.54 1.13 -0.39 -4.60 117.35 115.29 3fqw s TYR 9 Ca -0.16 -0.05 -0.01 0.00 -1.41 0.00 0.00 57.07 55.44 3fqw s TYR 9 Cb -0.17 0.60 -0.04 0.00 -1.10 0.00 0.00 41.96 41.24 3fqw s TYR 9 CO 0.08 -0.67 0.29 -1.54 -2.51 0.00 0.00 175.55 171.20 3fqw s SER 10 N -2.79 6.40 0.21 -0.18 1.04 -1.26 0.26 113.70 117.38 3fqw s SER 10 Ca 0.10 0.37 -0.07 0.00 0.48 0.00 0.00 55.95 56.83 3fqw s SER 10 Cb -0.01 -2.00 0.17 0.00 0.10 0.00 0.00 66.02 64.28 3fqw s SER 10 CO -0.02 0.10 1.71 -0.09 0.98 0.00 0.00 173.24 175.92 3fqw h ARG 11 N 2.76 1.04 -6.40 4.02 2.43 -1.37 -3.45 114.38 113.43 3fqw h ARG 11 Ca -0.46 -0.27 -0.63 0.00 -0.81 0.00 0.00 59.98 57.81 3fqw h ARG 11 Cb 1.17 -0.12 -0.16 0.00 -0.42 0.00 0.00 29.97 30.44 3fqw h ARG 11 CO 0.73 0.96 -0.78 -1.01 -1.51 0.00 0.00 179.97 178.36 3fqw s HIS 12 N -5.17 2.32 0.17 2.20 3.76 -1.26 -5.03 115.29 112.28 3fqw s HIS 12 Ca -0.11 -0.34 -0.33 0.00 -0.15 0.00 0.00 55.06 54.13 3fqw s HIS 12 Cb 0.15 -1.07 -0.15 0.00 1.11 0.00 0.00 32.58 32.61 3fqw s HIS 12 CO 0.84 0.61 1.23 -2.30 -0.85 0.00 0.00 174.74 174.28 3fqw n PRO 13 N -0.21 1.34 -2.90 8.40 -0.02 -1.26 -4.87 135.00 135.47 3fqw n PRO 13 Ca -0.09 0.48 -0.40 0.00 -2.02 0.00 0.00 63.50 61.47 3fqw n PRO 13 Cb 0.58 -2.02 -0.05 0.00 -0.02 0.00 0.00 33.50 31.98 3fqw n PRO 13 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3fqw s ALA 14 N -0.07 3.37 -0.04 3.55 0.00 -1.26 -5.05 121.76 122.26 3fqw s ALA 14 Ca 0.74 0.42 0.00 0.00 0.00 0.00 0.00 51.96 53.12 3fqw s ALA 14 Cb -0.82 -3.06 0.02 0.00 0.00 0.00 0.00 23.12 19.26 3fqw s ALA 14 CO 0.51 0.16 -0.02 -1.21 0.00 0.00 0.00 175.76 175.20 3fqw s GLU 15 N -0.64 0.60 0.23 0.00 2.02 -1.26 -5.11 118.70 114.54 3fqw s GLU 15 Ca 0.39 0.00 -0.32 0.00 0.02 0.00 0.00 54.97 55.07 3fqw s GLU 15 Cb -0.23 -0.74 -0.12 0.00 0.10 0.00 0.00 34.13 33.14 3fqw s GLU 15 CO 0.27 -0.14 1.64 0.09 0.02 0.00 0.00 175.26 177.13 3fqw n ASN 16 N 4.29 3.70 0.00 -0.19 3.02 -1.26 -1.51 115.26 123.32 3fqw n ASN 16 Ca -0.22 1.10 0.00 0.00 -0.03 0.00 0.00 54.58 55.43 3fqw n ASN 16 Cb 0.50 -1.54 0.00 0.00 -0.61 0.00 0.00 39.78 38.13 3fqw n ASN 16 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3fqw n GLY 17 N 3.18 1.03 3.32 7.41 0.00 0.72 -4.97 105.19 115.89 3fqw n GLY 17 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 3fqw n GLY 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fqw s LYS 18 N -0.47 3.39 0.79 1.61 1.02 -0.57 -5.00 119.74 120.51 3fqw s LYS 18 Ca 0.00 -0.62 -0.14 0.00 0.02 0.00 0.00 55.97 55.23 3fqw s LYS 18 Cb 0.00 -3.00 0.07 0.00 -0.52 0.00 0.00 37.83 34.38 3fqw s LYS 18 CO 0.00 -0.17 1.22 -1.13 -0.92 0.00 0.00 175.35 174.35 3fqw n SER 19 N 4.73 1.18 -0.84 2.83 3.41 -1.26 -4.25 113.62 119.43 3fqw n SER 19 Ca -0.18 0.62 0.00 0.00 -0.26 0.00 0.00 58.87 59.05 3fqw n SER 19 Cb 0.51 -1.52 0.00 0.00 -0.26 0.00 0.00 64.21 62.94 3fqw n SER 19 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3fqw n ASN 20 N -3.12 0.00 -3.92 4.04 2.85 0.32 -4.98 115.26 110.44 3fqw n ASN 20 Ca 0.14 -0.84 -0.22 0.00 -0.11 0.00 0.00 54.58 53.55 3fqw n ASN 20 Cb 0.50 0.00 -0.17 0.00 1.24 0.00 0.00 39.78 41.36 3fqw n ASN 20 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 3fqw s PHE 21 N -6.19 1.01 -0.25 1.20 0.40 -1.26 -1.39 117.98 111.51 3fqw s PHE 21 Ca 0.00 -0.34 -0.17 0.00 -0.60 0.00 0.00 56.93 55.82 3fqw s PHE 21 Cb 0.00 -0.84 -0.03 0.00 0.51 0.00 0.00 43.02 42.66 3fqw s PHE 21 CO 0.00 -0.25 0.47 -1.17 0.70 0.00 0.00 175.22 174.96 3fqw s LEU 22 N 0.99 4.07 -0.09 -0.37 2.96 0.73 -0.83 118.68 126.14 3fqw s LEU 22 Ca -0.10 0.48 -0.02 0.00 -0.22 0.00 0.00 54.13 54.28 3fqw s LEU 22 Cb -0.14 -2.59 -0.03 0.00 0.50 0.00 0.00 46.19 43.92 3fqw s LEU 22 CO 0.00 -0.23 -0.01 0.20 -1.32 0.00 0.00 176.35 175.00 3fqw s ASN 23 N 1.47 5.15 -0.22 3.68 0.01 0.14 -2.03 114.94 123.13 3fqw s ASN 23 Ca 0.20 0.12 0.02 0.00 -0.71 0.00 0.00 52.86 52.48 3fqw s ASN 23 Cb -0.16 -1.45 0.05 0.00 0.41 0.00 0.00 41.25 40.11 3fqw s ASN 23 CO 0.09 0.37 -0.11 0.00 -1.51 0.00 0.00 177.10 175.95 3fqw s TYR 25 N 1.29 3.19 -0.10 0.00 5.04 0.49 -1.02 117.35 126.24 3fqw s TYR 25 Ca -0.04 -0.31 0.01 0.00 -2.44 0.00 0.00 57.07 54.29 3fqw s TYR 25 Cb -0.18 -2.39 -0.02 0.00 0.35 0.00 0.00 41.96 39.73 3fqw s TYR 25 CO -0.07 -0.36 -0.13 0.14 -1.34 0.00 0.00 175.55 173.79 3fqw s VAL 26 N 1.68 3.13 0.27 3.14 -7.23 -0.63 -1.27 120.40 119.48 3fqw s VAL 26 Ca 0.06 -0.66 -0.13 0.00 -1.81 0.00 0.00 61.98 59.44 3fqw s VAL 26 Cb -0.17 -2.28 0.00 0.00 0.56 0.00 0.00 36.38 34.49 3fqw s VAL 26 CO 0.08 0.55 0.52 -0.94 -0.31 0.00 0.00 175.10 175.00 3fqw s SER 27 N -0.09 -0.00 -1.03 4.85 1.04 -0.65 -1.10 113.70 116.72 3fqw s SER 27 Ca -0.02 -0.97 0.00 0.00 0.48 0.00 0.00 55.95 55.45 3fqw s SER 27 Cb -0.14 0.62 0.00 0.00 0.10 0.00 0.00 66.02 66.61 3fqw s SER 27 CO 0.04 -1.21 0.00 0.61 0.98 0.00 0.00 173.24 173.66 3fqw n GLY 28 N -0.42 1.09 3.82 7.32 0.00 -0.69 0.03 105.19 116.34 3fqw n GLY 28 Ca -0.02 -0.35 -0.22 0.00 0.00 0.00 0.00 46.02 45.43 3fqw n GLY 28 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3fqw s PHE 29 N -2.23 3.10 -0.28 1.61 -0.71 -1.19 -4.30 117.98 113.97 3fqw s PHE 29 Ca 0.00 -0.10 -0.21 0.00 -1.04 0.00 0.00 56.93 55.57 3fqw s PHE 29 Cb 0.00 -1.41 0.12 0.00 -1.21 0.00 0.00 43.02 40.52 3fqw s PHE 29 CO 0.00 0.52 0.95 -1.58 -1.34 0.00 0.00 175.22 173.77 3fqw s HIS 30 N -2.10 -0.60 1.23 3.49 2.46 -0.60 -0.82 115.29 118.34 3fqw s HIS 30 Ca 0.33 1.34 -0.20 0.00 0.47 0.00 0.00 55.06 56.99 3fqw s HIS 30 Cb -0.08 0.38 0.30 0.00 -0.13 0.00 0.00 32.58 33.05 3fqw s HIS 30 CO 0.25 -0.29 1.11 -2.14 -2.47 0.00 0.00 174.74 171.19 3fqw s PRO 31 N 0.77 -1.41 0.40 2.88 0.02 -1.26 -1.28 135.00 135.11 3fqw s PRO 31 Ca -0.03 -0.13 0.22 0.00 0.02 0.00 0.00 61.00 61.08 3fqw s PRO 31 Cb -0.05 -1.58 0.58 0.00 0.02 0.00 0.00 34.50 33.47 3fqw s PRO 31 CO -0.10 -3.83 1.68 0.66 -0.33 0.00 0.00 177.00 175.08 3fqw h SER 32 N -2.66 0.00 -2.54 2.53 4.64 -1.99 -3.44 113.55 110.08 3fqw h SER 32 Ca -0.44 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.36 3fqw h SER 32 Cb 1.29 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 63.42 3fqw h SER 32 CO 0.31 0.26 1.11 -1.81 -0.87 0.00 0.00 176.83 175.83 3fqw s ASP 33 N -6.25 6.44 -0.10 4.97 1.01 -1.26 -4.96 116.67 116.52 3fqw s ASP 33 Ca 0.03 2.73 -0.24 0.00 0.71 0.00 0.00 52.55 55.78 3fqw s ASP 33 Cb 0.08 -2.56 0.06 0.00 1.01 0.00 0.00 42.92 41.51 3fqw s ASP 33 CO 0.67 -1.00 0.57 -0.51 0.21 0.00 0.00 175.17 175.11 3fqw s ILE 34 N 2.83 0.01 -0.15 0.77 2.07 -1.26 -4.66 121.20 120.81 3fqw s ILE 34 Ca 0.81 -0.10 0.01 0.00 -1.41 0.00 0.00 60.65 59.95 3fqw s ILE 34 Cb -0.45 -0.85 0.00 0.00 0.13 0.00 0.00 42.46 41.29 3fqw s ILE 34 CO 0.36 -0.06 -0.17 -1.61 -1.91 0.00 0.00 174.94 171.56 3fqw s GLU 35 N -0.69 3.17 -0.08 3.50 2.02 -0.47 -5.01 118.70 121.14 3fqw s GLU 35 Ca -0.08 -0.77 -0.01 0.00 0.02 0.00 0.00 54.97 54.13 3fqw s GLU 35 Cb -0.03 -2.59 0.03 0.00 0.10 0.00 0.00 34.13 31.64 3fqw s GLU 35 CO 0.05 0.00 -0.03 0.08 0.02 0.00 0.00 175.26 175.38 3fqw s VAL 36 N 0.84 0.61 0.07 2.63 1.01 -1.26 -0.73 120.40 123.57 3fqw s VAL 36 Ca -0.05 -0.05 0.09 0.00 0.00 0.00 0.00 61.98 61.96 3fqw s VAL 36 Cb -0.15 -0.70 -0.03 0.00 0.00 0.00 0.00 36.38 35.49 3fqw s VAL 36 CO -0.01 0.29 -0.24 -1.81 0.00 0.00 0.00 175.10 173.33 3fqw s ASP 37 N 1.68 3.40 -0.13 3.32 1.01 0.03 -4.98 116.67 121.00 3fqw s ASP 37 Ca 0.02 -0.58 -0.09 0.00 0.71 0.00 0.00 52.55 52.61 3fqw s ASP 37 Cb -0.13 -0.37 -0.04 0.00 1.01 0.00 0.00 42.92 43.39 3fqw s ASP 37 CO -0.05 0.24 0.17 -0.76 0.21 0.00 0.00 175.17 174.98 3fqw s LEU 38 N -1.51 4.34 -0.00 1.23 1.43 -1.26 -0.63 118.68 122.28 3fqw s LEU 38 Ca 0.13 0.45 0.06 0.00 -1.03 0.00 0.00 54.13 53.74 3fqw s LEU 38 Cb -0.10 -2.13 -0.03 0.00 0.03 0.00 0.00 46.19 43.96 3fqw s LEU 38 CO 0.04 0.33 -0.18 -0.76 0.23 0.00 0.00 176.35 176.01 3fqw s LEU 39 N -0.59 2.57 -0.21 1.79 1.43 0.60 -0.61 118.68 123.65 3fqw s LEU 39 Ca 0.14 -0.34 0.02 0.00 -1.03 0.00 0.00 54.13 52.91 3fqw s LEU 39 Cb -0.12 -1.51 0.04 0.00 0.03 0.00 0.00 46.19 44.63 3fqw s LEU 39 CO 0.03 0.30 -0.13 -0.75 0.23 0.00 0.00 176.35 176.03 3fqw s LYS 40 N -1.04 2.37 -1.50 1.70 2.20 -0.05 -1.69 119.74 121.73 3fqw s LYS 40 Ca 0.13 -1.02 -0.09 0.00 -0.36 0.00 0.00 55.97 54.63 3fqw s LYS 40 Cb -0.10 -2.62 0.07 0.00 -1.51 0.00 0.00 37.83 33.66 3fqw s LYS 40 CO 0.02 -0.42 0.76 0.09 -0.36 0.00 0.00 175.35 175.45 3fqw n ASN 41 N 4.58 -2.81 0.00 1.43 3.02 0.13 -1.65 115.26 119.95 3fqw n ASN 41 Ca -0.16 -0.89 0.00 0.00 -0.03 0.00 0.00 54.58 53.50 3fqw n ASN 41 Cb 0.46 -3.48 0.00 0.00 -0.61 0.00 0.00 39.78 36.15 3fqw n ASN 41 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3fqw n GLY 42 N -1.67 2.43 3.82 7.41 0.00 -1.26 -5.02 105.19 110.90 3fqw n GLY 42 Ca -0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 3fqw n GLY 42 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fqw s GLU 43 N -0.24 3.26 0.21 1.61 0.41 -0.66 -5.00 118.70 118.29 3fqw s GLU 43 Ca 0.00 -0.30 -0.32 0.00 -0.41 0.00 0.00 54.97 53.95 3fqw s GLU 43 Cb 0.00 -3.02 -0.12 0.00 -1.78 0.00 0.00 34.13 29.21 3fqw s GLU 43 CO 0.00 0.72 1.68 0.50 -0.49 0.00 0.00 175.26 177.67 3fqw s ARG 44 N -1.30 4.14 0.00 1.61 3.52 -1.26 -0.87 118.95 124.79 3fqw s ARG 44 Ca 0.18 2.56 -0.26 0.00 -0.13 0.00 0.00 55.73 58.08 3fqw s ARG 44 Cb -0.12 -3.08 -0.04 0.00 -1.56 0.00 0.00 34.95 30.15 3fqw s ARG 44 CO 0.08 -0.71 0.82 0.42 -0.81 0.00 0.00 175.30 175.10 3fqw s ILE 45 N 1.04 4.86 0.02 4.11 1.01 0.21 -4.86 121.20 127.58 3fqw s ILE 45 Ca 0.73 1.72 -0.19 0.00 0.00 0.00 0.00 60.65 62.91 3fqw s ILE 45 Cb -0.48 -4.16 -0.22 0.00 0.01 0.00 0.00 42.46 37.60 3fqw s ILE 45 CO 0.34 0.27 1.13 -0.33 0.00 0.00 0.00 174.94 176.34 3fqw h GLU 46 N 6.34 0.45 -3.01 2.79 4.39 -1.94 -3.39 114.58 120.21 3fqw h GLU 46 Ca -0.42 -0.46 -0.78 0.00 0.34 0.00 0.00 59.36 58.04 3fqw h GLU 46 Cb 1.21 0.12 -0.20 0.00 -0.10 0.00 0.00 28.75 29.78 3fqw h GLU 46 CO 0.74 1.11 1.62 1.63 -1.16 0.00 0.00 179.01 182.94 3fqw n LYS 47 N -4.20 4.28 -4.32 2.33 4.76 -1.26 -4.96 118.16 114.79 3fqw n LYS 47 Ca -0.10 -3.96 -0.34 0.00 -2.87 0.00 0.00 58.31 51.05 3fqw n LYS 47 Cb 0.67 -2.69 -0.11 0.00 -1.84 0.00 0.00 35.03 31.06 3fqw n LYS 47 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3fqw s VAL 48 N -1.41 4.11 0.36 -0.18 1.01 -1.26 -4.70 120.40 118.32 3fqw s VAL 48 Ca 0.40 -0.28 0.08 0.00 0.00 0.00 0.00 61.98 62.17 3fqw s VAL 48 Cb 0.11 -2.80 -0.04 0.00 0.00 0.00 0.00 36.38 33.65 3fqw s VAL 48 CO 0.00 0.50 0.18 -1.61 0.00 0.00 0.00 175.10 174.17 3fqw s GLU 49 N 0.23 2.39 0.07 2.72 2.02 -0.61 -4.94 118.70 120.58 3fqw s GLU 49 Ca -0.01 -1.57 -0.07 0.00 0.02 0.00 0.00 54.97 53.33 3fqw s GLU 49 Cb -0.13 -2.19 -0.01 0.00 0.10 0.00 0.00 34.13 31.90 3fqw s GLU 49 CO 0.02 0.05 0.15 -3.38 0.02 0.00 0.00 175.26 172.12 3fqw s HIS 50 N -2.45 0.19 1.00 1.61 -3.43 -1.26 -1.11 115.29 109.85 3fqw s HIS 50 Ca 0.39 -0.59 -0.12 0.00 -0.80 0.00 0.00 55.06 53.93 3fqw s HIS 50 Cb -0.02 -0.11 0.19 0.00 -1.43 0.00 0.00 32.58 31.21 3fqw s HIS 50 CO 0.23 -0.48 1.10 -1.54 -2.00 0.00 0.00 174.74 172.05 3fqw s SER 51 N -2.67 2.61 0.13 7.38 1.04 0.04 -4.98 113.70 117.26 3fqw s SER 51 Ca 0.03 1.15 -0.30 0.00 0.48 0.00 0.00 55.95 57.31 3fqw s SER 51 Cb 0.04 -1.81 -0.07 0.00 0.10 0.00 0.00 66.02 64.28 3fqw s SER 51 CO -0.09 -3.13 1.05 -1.81 0.98 0.00 0.00 173.24 170.23 3fqw s ASP 52 N -3.50 7.35 0.11 7.02 1.01 -1.26 -4.79 116.67 122.61 3fqw s ASP 52 Ca 0.65 1.95 -0.34 0.00 0.71 0.00 0.00 52.55 55.52 3fqw s ASP 52 Cb -0.18 -2.59 -0.14 0.00 1.01 0.00 0.00 42.92 41.02 3fqw s ASP 52 CO 0.57 -0.18 1.62 -0.11 0.21 0.00 0.00 175.17 177.28 3fqw n LEU 53 N 2.73 3.08 0.00 1.23 7.94 -1.26 -4.95 117.00 125.77 3fqw n LEU 53 Ca 0.03 1.07 -0.15 0.00 -1.11 0.00 0.00 56.01 55.85 3fqw n LEU 53 Cb 0.48 -1.41 -0.05 0.00 0.53 0.00 0.00 43.42 42.97 3fqw n LEU 53 CO 0.53 -0.29 -0.02 -0.24 -1.11 0.00 0.00 177.39 176.26 3fqw n SER 54 N 3.92 -0.73 -3.69 1.96 2.88 -1.23 -5.05 113.62 111.68 3fqw n SER 54 Ca 0.18 -2.72 -0.10 0.00 -1.33 0.00 0.00 58.87 54.90 3fqw n SER 54 Cb 0.28 1.57 -0.05 0.00 -0.75 0.00 0.00 64.21 65.26 3fqw n SER 54 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 3fqw s PHE 55 N -3.15 -0.11 0.70 0.66 -0.12 -1.26 -1.84 117.98 112.85 3fqw s PHE 55 Ca 0.30 -0.22 0.02 0.00 -0.05 0.00 0.00 56.93 56.98 3fqw s PHE 55 Cb 0.01 0.22 0.13 0.00 -0.63 0.00 0.00 43.02 42.75 3fqw s PHE 55 CO 0.21 -0.72 0.96 -1.12 -0.05 0.00 0.00 175.22 174.51 3fqw s SER 56 N -2.83 4.46 0.50 1.98 0.01 -0.04 -4.93 113.70 112.86 3fqw s SER 56 Ca 0.05 -0.56 0.18 0.00 1.31 0.00 0.00 55.95 56.93 3fqw s SER 56 Cb 0.02 0.19 1.26 0.00 0.21 0.00 0.00 66.02 67.70 3fqw s SER 56 CO -0.10 -1.80 2.11 0.07 0.41 0.00 0.00 173.24 173.93 3fqw h LYS 57 N -0.39 0.00 -0.20 12.44 2.10 -2.03 0.20 116.57 128.69 3fqw h LYS 57 Ca -0.34 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.31 3fqw h LYS 57 Cb 1.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 3fqw h LYS 57 CO 0.39 0.07 0.00 -0.40 -2.00 0.00 0.00 179.45 177.51 3fqw n ASP 58 N -4.33 0.91 0.00 7.07 5.75 -1.26 -4.89 116.55 119.80 3fqw n ASP 58 Ca -0.03 -2.01 0.00 0.00 -0.01 0.00 0.00 54.79 52.74 3fqw n ASP 58 Cb 0.15 -0.13 0.00 0.00 -1.03 0.00 0.00 41.12 40.11 3fqw n ASP 58 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 3fqw n TRP 59 N -0.03 0.00 -2.32 2.11 7.02 0.69 -5.00 117.44 119.91 3fqw n TRP 59 Ca 0.05 0.00 -0.37 0.00 -1.02 0.00 0.00 57.50 56.17 3fqw n TRP 59 Cb 0.15 -0.06 -0.02 0.00 -2.42 0.00 0.00 31.31 28.96 3fqw n TRP 59 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 3fqw s SER 60 N -3.57 6.28 0.37 -0.99 1.04 -1.26 -4.67 113.70 110.90 3fqw s SER 60 Ca 0.00 2.24 -0.05 0.00 0.48 0.00 0.00 55.95 58.61 3fqw s SER 60 Cb 0.00 -2.60 -0.05 0.00 0.10 0.00 0.00 66.02 63.48 3fqw s SER 60 CO 0.00 -0.84 0.66 -0.36 0.98 0.00 0.00 173.24 173.68 3fqw s PHE 61 N -1.59 3.50 0.00 5.02 0.08 0.00 -0.86 117.98 124.14 3fqw s PHE 61 Ca 0.63 0.72 -0.05 0.00 0.12 0.00 0.00 56.93 58.35 3fqw s PHE 61 Cb -0.27 -2.19 -0.00 0.00 -0.57 0.00 0.00 43.02 39.99 3fqw s PHE 61 CO 0.32 -0.01 0.08 1.52 -0.10 0.00 0.00 175.22 177.03 3fqw s TYR 62 N -2.36 0.09 -0.08 0.36 1.13 -0.77 -1.70 117.35 114.03 3fqw s TYR 62 Ca 0.46 -0.21 -0.10 0.00 -1.41 0.00 0.00 57.07 55.80 3fqw s TYR 62 Cb -0.10 -0.08 0.02 0.00 -1.10 0.00 0.00 41.96 40.70 3fqw s TYR 62 CO 0.35 -0.23 0.27 -0.51 -2.51 0.00 0.00 175.55 172.92 3fqw s LEU 63 N -1.26 0.98 -0.21 -3.49 1.43 -0.26 -3.46 118.68 112.41 3fqw s LEU 63 Ca -0.14 0.42 -0.06 0.00 -1.03 0.00 0.00 54.13 53.32 3fqw s LEU 63 Cb -0.08 0.98 -0.03 0.00 0.03 0.00 0.00 46.19 47.10 3fqw s LEU 63 CO 0.01 -0.18 0.03 -0.22 0.23 0.00 0.00 176.35 176.22 3fqw s LEU 64 N -0.22 3.42 -0.05 1.79 2.96 -1.26 -1.61 118.68 123.71 3fqw s LEU 64 Ca -0.03 -0.14 -0.01 0.00 -0.22 0.00 0.00 54.13 53.72 3fqw s LEU 64 Cb -0.03 -1.88 -0.04 0.00 0.50 0.00 0.00 46.19 44.75 3fqw s LEU 64 CO 0.01 0.07 0.03 -0.31 -1.32 0.00 0.00 176.35 174.83 3fqw s TYR 65 N 0.98 3.21 0.05 5.38 1.51 -0.19 -0.78 117.35 127.51 3fqw s TYR 65 Ca 0.02 0.20 -0.23 0.00 -1.01 0.00 0.00 57.07 56.06 3fqw s TYR 65 Cb -0.14 -1.76 0.05 0.00 -0.11 0.00 0.00 41.96 40.00 3fqw s TYR 65 CO 0.02 0.51 0.53 1.52 -1.11 0.00 0.00 175.55 177.02 3fqw s TYR 66 N -1.02 -0.43 0.08 2.71 1.13 -0.26 -0.28 117.35 119.28 3fqw s TYR 66 Ca 0.17 0.49 -0.24 0.00 -1.41 0.00 0.00 57.07 56.08 3fqw s TYR 66 Cb -0.12 0.35 0.06 0.00 -1.10 0.00 0.00 41.96 41.15 3fqw s TYR 66 CO 0.07 -0.65 0.57 -0.08 -2.51 0.00 0.00 175.55 172.95 3fqw s THR 67 N -2.45 0.02 0.48 -3.49 -1.32 -0.86 -1.57 115.64 106.45 3fqw s THR 67 Ca -0.05 -0.14 -0.22 0.00 -1.21 0.00 0.00 61.69 60.07 3fqw s THR 67 Cb -0.01 -1.00 -0.07 0.00 -1.51 0.00 0.00 72.50 69.90 3fqw s THR 67 CO -0.02 -0.08 1.11 -1.61 -2.21 0.00 0.00 174.62 171.81 3fqw s GLU 68 N -2.81 3.73 0.19 7.08 2.02 -1.26 -0.19 118.70 127.45 3fqw s GLU 68 Ca -0.03 1.59 -0.20 0.00 0.02 0.00 0.00 54.97 56.34 3fqw s GLU 68 Cb -0.00 -2.25 0.05 0.00 0.10 0.00 0.00 34.13 32.02 3fqw s GLU 68 CO -0.05 -0.53 0.58 -0.59 0.02 0.00 0.00 175.26 174.69 3fqw s PHE 69 N -1.73 -0.32 -0.26 1.61 -0.71 -0.48 -4.75 117.98 111.33 3fqw s PHE 69 Ca 0.66 0.02 0.03 0.00 -1.04 0.00 0.00 56.93 56.60 3fqw s PHE 69 Cb -0.23 0.50 0.06 0.00 -1.21 0.00 0.00 43.02 42.14 3fqw s PHE 69 CO 0.28 -0.92 -0.10 0.99 -1.34 0.00 0.00 175.22 174.13 3fqw s THR 70 N -3.82 2.26 0.43 -4.49 2.01 -1.26 -0.52 115.64 110.24 3fqw s THR 70 Ca 0.05 -1.61 -0.26 0.00 0.31 0.00 0.00 61.69 60.18 3fqw s THR 70 Cb -0.01 -2.33 -0.09 0.00 0.01 0.00 0.00 72.50 70.08 3fqw s THR 70 CO -0.07 -0.04 1.38 -2.65 -0.69 0.00 0.00 174.62 172.56 3fqw n PRO 71 N 4.45 2.20 -4.20 4.92 -0.02 -1.26 -4.79 135.00 136.29 3fqw n PRO 71 Ca -0.14 0.78 -0.16 0.00 -2.02 0.00 0.00 63.50 61.97 3fqw n PRO 71 Cb 0.42 -2.55 -0.08 0.00 -0.02 0.00 0.00 33.50 31.28 3fqw n PRO 71 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3fqw s THR 72 N -1.18 0.00 0.23 3.45 -4.23 -1.26 -0.20 115.64 112.44 3fqw s THR 72 Ca 0.60 -1.88 0.17 0.00 -1.18 0.00 0.00 61.69 59.39 3fqw s THR 72 Cb -0.48 -2.51 0.10 0.00 1.34 0.00 0.00 72.50 70.95 3fqw s THR 72 CO 0.59 0.00 1.73 -0.33 -0.54 0.00 0.00 174.62 176.07 3fqw h GLU 73 N 2.28 0.00 0.00 3.99 5.08 -1.96 -3.35 114.58 120.61 3fqw h GLU 73 Ca -0.29 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 57.96 3fqw h GLU 73 Cb 1.24 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.47 3fqw h GLU 73 CO 0.41 0.42 -1.84 0.36 -1.00 0.00 0.00 179.01 177.37 3fqw n LYS 74 N -3.66 0.95 -3.08 2.33 2.85 -1.26 -4.97 118.16 111.31 3fqw n LYS 74 Ca -0.01 -0.09 -0.39 0.00 -1.05 0.00 0.00 58.31 56.77 3fqw n LYS 74 Cb 0.51 -1.37 -0.06 0.00 -0.65 0.00 0.00 35.03 33.46 3fqw n LYS 74 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 3fqw s ASP 75 N -4.23 7.16 -0.19 -5.58 1.01 -1.26 -5.06 116.67 108.54 3fqw s ASP 75 Ca -0.06 1.39 -0.08 0.00 0.71 0.00 0.00 52.55 54.51 3fqw s ASP 75 Cb 0.08 -2.43 -0.04 0.00 1.01 0.00 0.00 42.92 41.53 3fqw s ASP 75 CO 0.63 0.12 0.07 -1.61 0.21 0.00 0.00 175.17 174.58 3fqw s GLU 76 N -0.47 3.97 0.14 8.23 2.02 -1.26 -4.66 118.70 126.67 3fqw s GLU 76 Ca 0.35 -0.35 0.09 0.00 0.02 0.00 0.00 54.97 55.08 3fqw s GLU 76 Cb -0.20 -3.23 -0.04 0.00 0.10 0.00 0.00 34.13 30.75 3fqw s GLU 76 CO 0.22 0.24 -0.15 0.71 0.02 0.00 0.00 175.26 176.30 3fqw s TYR 77 N 0.46 2.57 0.23 1.61 2.02 -1.26 0.17 117.35 123.14 3fqw s TYR 77 Ca 0.03 -0.25 -0.19 0.00 -0.37 0.00 0.00 57.07 56.30 3fqw s TYR 77 Cb -0.13 -1.32 0.03 0.00 -0.40 0.00 0.00 41.96 40.14 3fqw s TYR 77 CO 0.01 0.44 0.59 0.00 -1.57 0.00 0.00 175.55 175.02 3fqw s ALA 78 N -1.36 -1.04 -0.08 3.71 0.00 -0.68 -0.50 121.76 121.81 3fqw s ALA 78 Ca 0.21 -0.24 0.04 0.00 0.00 0.00 0.00 51.96 51.97 3fqw s ALA 78 Cb -0.10 0.88 -0.01 0.00 0.00 0.00 0.00 23.12 23.89 3fqw s ALA 78 CO 0.12 -0.88 -0.20 0.00 0.00 0.00 0.00 175.76 174.79 3fqw s ARG 80 N -0.10 3.13 -0.08 0.00 3.52 0.19 -0.70 118.95 124.91 3fqw s ARG 80 Ca -0.04 -0.76 0.04 0.00 -0.13 0.00 0.00 55.73 54.83 3fqw s ARG 80 Cb -0.14 -2.69 0.00 0.00 -1.56 0.00 0.00 34.95 30.56 3fqw s ARG 80 CO 0.04 -0.17 -0.21 0.08 -0.81 0.00 0.00 175.30 174.22 3fqw s VAL 81 N 1.27 1.83 0.07 7.11 1.01 -0.12 -0.79 120.40 130.78 3fqw s VAL 81 Ca 0.04 -0.90 0.08 0.00 0.00 0.00 0.00 61.98 61.20 3fqw s VAL 81 Cb -0.14 -1.59 -0.03 0.00 0.00 0.00 0.00 36.38 34.62 3fqw s VAL 81 CO -0.08 0.51 -0.21 0.21 0.00 0.00 0.00 175.10 175.52 3fqw s ASN 82 N 0.32 2.57 -0.06 3.32 3.84 0.09 -0.48 114.94 124.54 3fqw s ASN 82 Ca -0.15 -0.60 -0.30 0.00 0.21 0.00 0.00 52.86 52.01 3fqw s ASN 82 Cb -0.17 -0.18 0.09 0.00 -0.55 0.00 0.00 41.25 40.44 3fqw s ASN 82 CO 0.07 0.12 0.79 -2.28 -2.79 0.00 0.00 177.10 173.01 3fqw s HIS 83 N -0.96 -0.53 0.57 0.43 5.65 -1.26 -1.37 115.29 117.81 3fqw s HIS 83 Ca 0.08 0.83 0.30 0.00 0.25 0.00 0.00 55.06 56.51 3fqw s HIS 83 Cb -0.09 0.45 1.46 0.00 -1.18 0.00 0.00 32.58 33.21 3fqw s HIS 83 CO 0.03 -0.54 1.88 -0.24 -0.65 0.00 0.00 174.74 175.22 3fqw h VAL 84 N 2.70 0.45 0.00 0.89 3.04 -1.95 0.17 116.25 121.54 3fqw h VAL 84 Ca -0.24 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.45 3fqw h VAL 84 Cb 1.17 0.58 0.00 0.00 -2.01 0.00 0.00 31.29 31.03 3fqw h VAL 84 CO 0.36 0.00 0.00 0.35 -1.01 0.00 0.00 177.57 177.27 3fqw n THR 85 N -3.95 0.10 -4.15 3.17 -2.24 -1.26 -4.74 114.28 101.22 3fqw n THR 85 Ca 0.13 0.03 -0.34 0.00 -2.27 0.00 0.00 64.05 61.59 3fqw n THR 85 Cb 0.80 -0.57 -0.14 0.00 -2.10 0.00 0.00 70.33 68.33 3fqw n THR 85 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3fqw s LEU 86 N -2.59 2.96 0.54 3.22 1.43 0.60 -4.97 118.68 119.87 3fqw s LEU 86 Ca 0.26 -0.32 0.35 0.00 -1.03 0.00 0.00 54.13 53.39 3fqw s LEU 86 Cb 0.18 -1.74 1.63 0.00 0.03 0.00 0.00 46.19 46.30 3fqw s LEU 86 CO 0.42 0.05 2.05 0.77 0.23 0.00 0.00 176.35 179.87 3fqw h SER 87 N 7.59 0.00 -5.01 2.29 4.64 -1.85 -3.43 113.55 117.78 3fqw h SER 87 Ca -0.36 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.91 3fqw h SER 87 Cb 1.18 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.12 3fqw h SER 87 CO 0.60 0.00 0.14 0.00 -0.87 0.00 0.00 176.83 176.70 3fqw s GLN 88 N -3.76 1.15 0.30 4.77 -2.07 -1.26 -5.14 119.66 113.65 3fqw s GLN 88 Ca -0.01 -0.26 -0.29 0.00 -1.82 0.00 0.00 55.36 52.98 3fqw s GLN 88 Cb 0.10 0.53 -0.13 0.00 -1.09 0.00 0.00 33.01 32.42 3fqw s GLN 88 CO 0.47 -0.45 1.37 -2.30 -1.32 0.00 0.00 175.29 173.06 3fqw n PRO 89 N 0.13 2.18 -3.52 9.60 -0.02 -1.26 -4.94 135.00 137.17 3fqw n PRO 89 Ca -0.18 0.77 -0.37 0.00 -2.02 0.00 0.00 63.50 61.70 3fqw n PRO 89 Cb 0.62 -2.40 -0.08 0.00 -0.02 0.00 0.00 33.50 31.62 3fqw n PRO 89 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3fqw s LYS 90 N -1.25 4.15 -0.20 -0.52 2.20 0.36 -4.89 119.74 119.59 3fqw s LYS 90 Ca 0.60 0.00 -0.05 0.00 -0.36 0.00 0.00 55.97 56.17 3fqw s LYS 90 Cb -0.58 -3.51 -0.02 0.00 -1.51 0.00 0.00 37.83 32.20 3fqw s LYS 90 CO 0.57 0.06 -0.01 0.42 -0.36 0.00 0.00 175.35 176.02 3fqw s ILE 91 N 1.04 3.83 -0.20 5.43 1.01 -1.26 -0.95 121.20 130.10 3fqw s ILE 91 Ca 0.14 -0.35 -0.01 0.00 0.00 0.00 0.00 60.65 60.43 3fqw s ILE 91 Cb -0.14 -2.73 0.01 0.00 0.01 0.00 0.00 42.46 39.62 3fqw s ILE 91 CO 0.06 0.43 -0.13 -0.69 0.00 0.00 0.00 174.94 174.60 3fqw s VAL 92 N 1.04 2.57 0.28 2.92 1.01 0.13 -4.97 120.40 123.38 3fqw s VAL 92 Ca 0.02 -0.81 -0.29 0.00 0.00 0.00 0.00 61.98 60.90 3fqw s VAL 92 Cb -0.14 -2.14 -0.09 0.00 0.00 0.00 0.00 36.38 34.00 3fqw s VAL 92 CO 0.01 0.46 1.05 -0.54 0.00 0.00 0.00 175.10 176.09 3fqw s LYS 93 N 1.35 4.65 0.15 2.72 1.02 -1.26 -0.41 119.74 127.96 3fqw s LYS 93 Ca 0.05 1.69 -0.30 0.00 0.02 0.00 0.00 55.97 57.43 3fqw s LYS 93 Cb -0.14 -3.15 -0.08 0.00 -0.52 0.00 0.00 37.83 33.95 3fqw s LYS 93 CO -0.09 0.26 1.27 -0.46 -0.92 0.00 0.00 175.35 175.41 3fqw s TRP 94 N -1.22 3.34 -0.12 3.18 -0.00 0.34 -4.90 118.94 119.57 3fqw s TRP 94 Ca 0.45 1.24 0.00 0.00 -0.00 0.00 0.00 56.10 57.79 3fqw s TRP 94 Cb -0.29 -3.53 0.02 0.00 -0.00 0.00 0.00 33.47 29.67 3fqw s TRP 94 CO 0.37 -1.65 -0.11 0.34 -0.00 0.00 0.00 176.95 175.90 3fqw s ASP 95 N 0.58 2.35 0.24 5.86 -1.08 -1.26 -4.75 116.67 118.62 3fqw s ASP 95 Ca 0.58 -0.38 0.19 0.00 -0.52 0.00 0.00 52.55 52.42 3fqw s ASP 95 Cb -0.34 -0.98 0.94 0.00 -1.46 0.00 0.00 42.92 41.08 3fqw s ASP 95 CO 0.34 -0.08 1.59 -2.11 0.52 0.00 0.00 175.17 175.44 3fqw n ARG 96 N 4.75 0.13 0.00 4.34 1.85 -1.26 -1.54 116.66 124.94 3fqw n ARG 96 Ca -0.15 0.52 0.15 0.00 -1.00 0.00 0.00 57.85 57.37 3fqw n ARG 96 Cb 0.50 -1.85 0.65 0.00 -1.05 0.00 0.00 32.46 30.71 3fqw n ARG 96 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 3fqw n ASP 97 N -2.12 0.91 0.00 2.89 8.00 -1.26 -4.83 116.55 120.14 3fqw n ASP 97 Ca 0.00 -1.20 0.00 0.00 0.71 0.00 0.00 54.79 54.30 3fqw n ASP 97 Cb 0.11 -0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.21 3fqw n ASP 97 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04