#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fqx s ARG 2 N 0.00 1.98 0.31 3.69 0.52 -0.68 -4.96 118.95 119.81 3fqx s ARG 2 Ca 0.00 -0.49 -0.18 0.00 -0.52 0.00 0.00 55.73 54.54 3fqx s ARG 2 Cb 0.00 -1.66 -0.09 0.00 0.52 0.00 0.00 34.95 33.72 3fqx s ARG 2 CO 0.00 -0.01 0.78 -0.08 0.02 0.00 0.00 175.30 176.01 3fqx s THR 3 N 0.82 4.57 0.22 0.02 -1.32 -1.26 -1.62 115.64 117.06 3fqx s THR 3 Ca -0.11 1.20 -0.30 0.00 -1.21 0.00 0.00 61.69 61.27 3fqx s THR 3 Cb -0.15 -3.71 -0.09 0.00 -1.51 0.00 0.00 72.50 67.04 3fqx s THR 3 CO 0.02 -0.07 1.29 -2.84 -2.21 0.00 0.00 174.62 170.81 3fqx s PRO 4 N -2.66 4.40 0.37 7.08 0.02 -1.26 -4.28 135.00 138.67 3fqx s PRO 4 Ca 0.52 2.05 -0.20 0.00 0.02 0.00 0.00 61.00 63.39 3fqx s PRO 4 Cb -0.12 -3.18 -0.10 0.00 0.02 0.00 0.00 34.50 31.11 3fqx s PRO 4 CO 0.18 -0.21 0.87 0.15 -0.33 0.00 0.00 177.00 177.66 3fqx s LYS 5 N -0.41 4.21 -0.05 5.54 1.02 0.87 -4.91 119.74 126.03 3fqx s LYS 5 Ca 0.55 1.00 0.01 0.00 0.02 0.00 0.00 55.97 57.55 3fqx s LYS 5 Cb -0.36 -2.39 0.02 0.00 -0.52 0.00 0.00 37.83 34.57 3fqx s LYS 5 CO 0.40 0.10 -0.05 0.42 -0.92 0.00 0.00 175.35 175.30 3fqx s ILE 6 N -1.99 0.57 -0.07 2.17 1.01 -1.26 -1.79 121.20 119.84 3fqx s ILE 6 Ca 0.57 -0.14 0.03 0.00 0.00 0.00 0.00 60.65 61.11 3fqx s ILE 6 Cb -0.11 -0.59 0.01 0.00 0.01 0.00 0.00 42.46 41.77 3fqx s ILE 6 CO 0.16 0.23 -0.17 -1.10 0.00 0.00 0.00 174.94 174.06 3fqx s GLN 7 N 0.94 2.19 -0.12 2.79 -0.21 -0.55 -4.99 119.66 119.70 3fqx s GLN 7 Ca -0.11 -0.62 0.01 0.00 0.02 0.00 0.00 55.36 54.66 3fqx s GLN 7 Cb -0.14 -1.75 -0.01 0.00 1.00 0.00 0.00 33.01 32.10 3fqx s GLN 7 CO 0.00 0.13 -0.14 0.08 -2.12 0.00 0.00 175.29 173.23 3fqx s VAL 8 N 0.42 2.96 0.08 1.09 1.01 -1.26 -0.52 120.40 124.18 3fqx s VAL 8 Ca -0.14 -0.70 -0.27 0.00 0.00 0.00 0.00 61.98 60.87 3fqx s VAL 8 Cb -0.16 -2.22 0.08 0.00 0.00 0.00 0.00 36.38 34.08 3fqx s VAL 8 CO 0.05 0.53 0.97 -0.72 0.00 0.00 0.00 175.10 175.94 3fqx s TYR 9 N 0.26 -0.19 0.15 5.22 1.13 -0.59 -4.59 117.35 118.73 3fqx s TYR 9 Ca -0.10 -0.04 -0.01 0.00 -1.41 0.00 0.00 57.07 55.51 3fqx s TYR 9 Cb -0.16 0.60 -0.04 0.00 -1.10 0.00 0.00 41.96 41.26 3fqx s TYR 9 CO 0.06 -0.68 0.33 -1.54 -2.51 0.00 0.00 175.55 171.21 3fqx s SER 10 N -2.78 6.41 0.15 -0.18 1.04 -1.26 -0.15 113.70 116.92 3fqx s SER 10 Ca 0.10 0.40 -0.13 0.00 0.48 0.00 0.00 55.95 56.80 3fqx s SER 10 Cb -0.01 -2.01 0.03 0.00 0.10 0.00 0.00 66.02 64.13 3fqx s SER 10 CO -0.02 0.04 1.65 -0.09 0.98 0.00 0.00 173.24 175.81 3fqx h ARG 11 N 2.51 0.81 -6.31 4.02 2.43 -1.55 -3.45 114.38 112.85 3fqx h ARG 11 Ca -0.47 -0.20 -0.60 0.00 -0.81 0.00 0.00 59.98 57.90 3fqx h ARG 11 Cb 1.18 -0.10 -0.13 0.00 -0.42 0.00 0.00 29.97 30.49 3fqx h ARG 11 CO 0.71 0.79 -0.72 -1.01 -1.51 0.00 0.00 179.97 178.23 3fqx s HIS 12 N -5.28 2.49 0.23 2.20 3.76 -1.26 -5.04 115.29 112.39 3fqx s HIS 12 Ca -0.13 -0.28 -0.31 0.00 -0.15 0.00 0.00 55.06 54.19 3fqx s HIS 12 Cb 0.12 -1.14 -0.13 0.00 1.11 0.00 0.00 32.58 32.54 3fqx s HIS 12 CO 0.80 0.62 1.44 -2.30 -0.85 0.00 0.00 174.74 174.45 3fqx n PRO 13 N -0.45 2.10 -2.63 8.40 -0.02 -1.26 -4.87 135.00 136.27 3fqx n PRO 13 Ca -0.08 0.75 -0.41 0.00 -2.02 0.00 0.00 63.50 61.74 3fqx n PRO 13 Cb 0.58 -2.43 -0.04 0.00 -0.02 0.00 0.00 33.50 31.59 3fqx n PRO 13 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3fqx s ALA 14 N 0.07 3.32 -0.05 3.55 0.00 -1.26 -5.04 121.76 122.35 3fqx s ALA 14 Ca 0.69 0.70 0.01 0.00 0.00 0.00 0.00 51.96 53.36 3fqx s ALA 14 Cb -0.64 -3.31 0.02 0.00 0.00 0.00 0.00 23.12 19.19 3fqx s ALA 14 CO 0.48 -0.09 -0.05 -1.21 0.00 0.00 0.00 175.76 174.89 3fqx s GLU 15 N -0.30 0.89 0.31 0.00 2.02 -1.26 -5.12 118.70 115.24 3fqx s GLU 15 Ca 0.48 -0.12 -0.30 0.00 0.02 0.00 0.00 54.97 55.05 3fqx s GLU 15 Cb -0.27 -0.89 -0.12 0.00 0.10 0.00 0.00 34.13 32.95 3fqx s GLU 15 CO 0.32 -0.08 1.49 0.09 0.02 0.00 0.00 175.26 177.10 3fqx n ASN 16 N 4.08 3.45 0.00 -0.19 3.02 -1.26 -1.90 115.26 122.47 3fqx n ASN 16 Ca -0.24 1.17 0.00 0.00 -0.03 0.00 0.00 54.58 55.48 3fqx n ASN 16 Cb 0.51 -1.55 0.00 0.00 -0.61 0.00 0.00 39.78 38.13 3fqx n ASN 16 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3fqx n GLY 17 N 1.63 1.46 3.40 7.41 0.00 0.45 -4.98 105.19 114.55 3fqx n GLY 17 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 3fqx n GLY 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fqx s LYS 18 N -0.22 3.51 0.65 1.61 1.02 -0.80 -5.00 119.74 120.52 3fqx s LYS 18 Ca 0.00 -0.58 -0.18 0.00 0.02 0.00 0.00 55.97 55.24 3fqx s LYS 18 Cb 0.00 -2.97 -0.01 0.00 -0.52 0.00 0.00 37.83 34.32 3fqx s LYS 18 CO 0.00 0.00 1.15 -1.13 -0.92 0.00 0.00 175.35 174.45 3fqx n SER 19 N 4.23 1.43 -0.88 2.83 3.41 -1.26 -4.26 113.62 119.12 3fqx n SER 19 Ca -0.18 0.79 0.00 0.00 -0.26 0.00 0.00 58.87 59.22 3fqx n SER 19 Cb 0.52 -1.49 0.00 0.00 -0.26 0.00 0.00 64.21 62.98 3fqx n SER 19 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3fqx n ASN 20 N -1.62 0.00 -3.98 4.04 2.85 0.31 -4.99 115.26 111.86 3fqx n ASN 20 Ca 0.15 -0.88 -0.22 0.00 -0.11 0.00 0.00 54.58 53.52 3fqx n ASN 20 Cb 0.48 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.34 3fqx n ASN 20 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 3fqx s PHE 21 N -8.27 1.06 -0.25 1.20 0.40 -1.26 -1.75 117.98 109.11 3fqx s PHE 21 Ca 0.00 -0.32 -0.12 0.00 -0.60 0.00 0.00 56.93 55.89 3fqx s PHE 21 Cb 0.00 -0.80 -0.05 0.00 0.51 0.00 0.00 43.02 42.68 3fqx s PHE 21 CO 0.00 -0.18 0.24 -1.17 0.70 0.00 0.00 175.22 174.82 3fqx s LEU 22 N 0.53 4.08 -0.07 -0.37 2.96 0.40 -1.22 118.68 124.99 3fqx s LEU 22 Ca -0.09 0.18 0.00 0.00 -0.22 0.00 0.00 54.13 54.00 3fqx s LEU 22 Cb -0.12 -2.23 -0.03 0.00 0.50 0.00 0.00 46.19 44.30 3fqx s LEU 22 CO 0.01 -0.03 -0.06 0.20 -1.32 0.00 0.00 176.35 175.16 3fqx s ASN 23 N 1.34 4.76 -0.19 3.68 0.01 0.78 -2.03 114.94 123.29 3fqx s ASN 23 Ca 0.11 0.00 0.00 0.00 -0.71 0.00 0.00 52.86 52.27 3fqx s ASN 23 Cb -0.15 -1.22 0.04 0.00 0.41 0.00 0.00 41.25 40.34 3fqx s ASN 23 CO 0.08 0.36 -0.08 0.00 -1.51 0.00 0.00 177.10 175.95 3fqx s TYR 25 N 1.46 3.17 -0.09 0.00 5.04 0.32 -0.56 117.35 126.69 3fqx s TYR 25 Ca -0.01 -0.64 0.00 0.00 -2.44 0.00 0.00 57.07 53.98 3fqx s TYR 25 Cb -0.16 -2.33 -0.03 0.00 0.35 0.00 0.00 41.96 39.79 3fqx s TYR 25 CO -0.08 -0.47 -0.09 0.14 -1.34 0.00 0.00 175.55 173.71 3fqx s VAL 26 N 1.59 3.51 0.21 3.14 -7.23 -0.39 -1.49 120.40 119.74 3fqx s VAL 26 Ca 0.04 -0.53 -0.15 0.00 -1.81 0.00 0.00 61.98 59.53 3fqx s VAL 26 Cb -0.17 -2.45 0.01 0.00 0.56 0.00 0.00 36.38 34.33 3fqx s VAL 26 CO 0.05 0.57 0.50 -0.94 -0.31 0.00 0.00 175.10 174.97 3fqx s SER 27 N -0.40 -0.17 -0.81 4.85 1.04 -0.74 -1.01 113.70 116.47 3fqx s SER 27 Ca 0.05 -0.68 0.00 0.00 0.48 0.00 0.00 55.95 55.80 3fqx s SER 27 Cb -0.12 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.57 3fqx s SER 27 CO 0.02 -1.09 0.00 0.61 0.98 0.00 0.00 173.24 173.76 3fqx n GLY 28 N -0.35 0.95 3.83 7.32 0.00 -0.66 -0.09 105.19 116.19 3fqx n GLY 28 Ca -0.07 -0.49 -0.24 0.00 0.00 0.00 0.00 46.02 45.22 3fqx n GLY 28 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3fqx s PHE 29 N -2.20 3.18 -0.28 1.61 -0.71 -1.21 -4.31 117.98 114.07 3fqx s PHE 29 Ca 0.00 -0.05 -0.21 0.00 -1.04 0.00 0.00 56.93 55.63 3fqx s PHE 29 Cb 0.00 -1.48 0.08 0.00 -1.21 0.00 0.00 43.02 40.42 3fqx s PHE 29 CO 0.00 0.51 0.75 -1.58 -1.34 0.00 0.00 175.22 173.56 3fqx s HIS 30 N -1.94 -0.87 0.60 3.49 2.46 -0.64 -0.86 115.29 117.52 3fqx s HIS 30 Ca 0.32 1.90 -0.10 0.00 0.47 0.00 0.00 55.06 57.66 3fqx s HIS 30 Cb -0.09 0.44 0.14 0.00 -0.13 0.00 0.00 32.58 32.94 3fqx s HIS 30 CO 0.25 -0.42 0.67 -0.35 -2.47 0.00 0.00 174.74 172.41 3fqx n PRO 31 N 3.40 -1.36 0.18 2.88 -0.04 -1.26 -1.68 135.00 137.12 3fqx n PRO 31 Ca -0.17 -1.05 0.08 0.00 -0.04 0.00 0.00 63.50 62.32 3fqx n PRO 31 Cb 0.57 -0.81 0.11 0.00 -0.04 0.00 0.00 33.50 33.33 3fqx n PRO 31 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3fqx h SER 32 N -1.40 0.00 -2.62 3.54 4.64 -1.99 -3.45 113.55 112.27 3fqx h SER 32 Ca -0.23 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.56 3fqx h SER 32 Cb 0.66 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 62.80 3fqx h SER 32 CO 0.16 0.22 1.04 -1.81 -0.87 0.00 0.00 176.83 175.57 3fqx s ASP 33 N -6.32 6.45 -0.06 4.97 1.01 -1.26 -4.96 116.67 116.50 3fqx s ASP 33 Ca 0.06 2.74 -0.25 0.00 0.71 0.00 0.00 52.55 55.81 3fqx s ASP 33 Cb 0.06 -2.58 0.05 0.00 1.01 0.00 0.00 42.92 41.47 3fqx s ASP 33 CO 0.70 -0.96 0.56 -0.51 0.21 0.00 0.00 175.17 175.17 3fqx s ILE 34 N 2.09 0.02 -0.21 0.77 2.07 -1.26 -4.68 121.20 119.99 3fqx s ILE 34 Ca 0.77 -0.14 -0.03 0.00 -1.41 0.00 0.00 60.65 59.84 3fqx s ILE 34 Cb -0.46 -0.87 -0.00 0.00 0.13 0.00 0.00 42.46 41.26 3fqx s ILE 34 CO 0.34 -0.08 -0.07 -1.61 -1.91 0.00 0.00 174.94 171.61 3fqx s GLU 35 N -1.08 3.29 -0.09 3.50 2.02 -0.03 -5.00 118.70 121.31 3fqx s GLU 35 Ca -0.11 -0.67 0.00 0.00 0.02 0.00 0.00 54.97 54.21 3fqx s GLU 35 Cb -0.02 -2.93 0.02 0.00 0.10 0.00 0.00 34.13 31.31 3fqx s GLU 35 CO 0.07 -0.21 -0.08 0.08 0.02 0.00 0.00 175.26 175.15 3fqx s VAL 36 N 1.44 0.98 0.06 2.63 1.01 -1.26 -0.40 120.40 124.86 3fqx s VAL 36 Ca 0.06 -0.30 0.08 0.00 0.00 0.00 0.00 61.98 61.82 3fqx s VAL 36 Cb -0.14 -0.98 -0.03 0.00 0.00 0.00 0.00 36.38 35.23 3fqx s VAL 36 CO -0.05 0.35 -0.22 -1.81 0.00 0.00 0.00 175.10 173.37 3fqx s ASP 37 N 1.41 2.61 -0.13 3.32 1.01 0.03 -4.98 116.67 119.94 3fqx s ASP 37 Ca -0.01 -0.58 -0.09 0.00 0.71 0.00 0.00 52.55 52.58 3fqx s ASP 37 Cb -0.13 -0.20 -0.04 0.00 1.01 0.00 0.00 42.92 43.55 3fqx s ASP 37 CO -0.05 0.15 0.18 -0.76 0.21 0.00 0.00 175.17 174.90 3fqx s LEU 38 N -1.40 4.35 0.01 1.23 1.43 -1.26 -0.40 118.68 122.65 3fqx s LEU 38 Ca 0.08 0.47 0.07 0.00 -1.03 0.00 0.00 54.13 53.72 3fqx s LEU 38 Cb -0.09 -2.15 -0.03 0.00 0.03 0.00 0.00 46.19 43.95 3fqx s LEU 38 CO 0.03 0.33 -0.20 -0.76 0.23 0.00 0.00 176.35 175.97 3fqx s LEU 39 N -0.60 2.47 -0.22 1.79 1.43 0.64 -0.28 118.68 123.91 3fqx s LEU 39 Ca 0.14 -0.42 0.02 0.00 -1.03 0.00 0.00 54.13 52.84 3fqx s LEU 39 Cb -0.12 -1.46 0.04 0.00 0.03 0.00 0.00 46.19 44.68 3fqx s LEU 39 CO 0.04 0.28 -0.15 -0.75 0.23 0.00 0.00 176.35 176.00 3fqx s LYS 40 N -1.14 2.60 -1.51 1.70 2.20 -0.08 -1.91 119.74 121.60 3fqx s LYS 40 Ca 0.13 -1.05 -0.12 0.00 -0.36 0.00 0.00 55.97 54.56 3fqx s LYS 40 Cb -0.10 -2.69 0.08 0.00 -1.51 0.00 0.00 37.83 33.60 3fqx s LYS 40 CO 0.03 -0.38 0.95 0.09 -0.36 0.00 0.00 175.35 175.68 3fqx n ASN 41 N 4.54 -4.41 0.00 1.43 3.02 0.13 -1.69 115.26 118.28 3fqx n ASN 41 Ca -0.18 -0.78 0.00 0.00 -0.03 0.00 0.00 54.58 53.59 3fqx n ASN 41 Cb 0.46 -3.91 0.00 0.00 -0.61 0.00 0.00 39.78 35.72 3fqx n ASN 41 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3fqx n GLY 42 N -1.69 2.11 3.77 7.41 0.00 -1.26 -5.02 105.19 110.52 3fqx n GLY 42 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 3fqx n GLY 42 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fqx s GLU 43 N -0.22 3.46 0.24 1.61 2.02 -0.68 -5.01 118.70 120.12 3fqx s GLU 43 Ca 0.00 -0.25 -0.31 0.00 0.02 0.00 0.00 54.97 54.43 3fqx s GLU 43 Cb 0.00 -3.10 -0.12 0.00 0.10 0.00 0.00 34.13 31.01 3fqx s GLU 43 CO 0.00 0.64 1.62 -2.13 0.02 0.00 0.00 175.26 175.41 3fqx n ARG 44 N 2.39 2.61 -2.96 1.61 0.63 -1.26 -0.90 116.66 118.78 3fqx n ARG 44 Ca -0.19 0.93 -0.40 0.00 -0.92 0.00 0.00 57.85 57.27 3fqx n ARG 44 Cb 0.54 -2.73 -0.04 0.00 0.45 0.00 0.00 32.46 30.68 3fqx n ARG 44 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 3fqx s ILE 45 N 0.52 4.96 0.02 5.15 1.01 0.62 -4.85 121.20 128.62 3fqx s ILE 45 Ca 0.70 1.61 -0.18 0.00 0.00 0.00 0.00 60.65 62.78 3fqx s ILE 45 Cb -0.53 -4.12 -0.26 0.00 0.01 0.00 0.00 42.46 37.56 3fqx s ILE 45 CO 0.41 0.25 1.08 -0.33 0.00 0.00 0.00 174.94 176.35 3fqx h GLU 46 N 6.59 0.48 -4.11 2.79 5.08 -1.93 -3.39 114.58 120.08 3fqx h GLU 46 Ca -0.41 -0.58 -0.76 0.00 -1.00 0.00 0.00 59.36 56.61 3fqx h GLU 46 Cb 1.20 0.18 -0.19 0.00 0.50 0.00 0.00 28.75 30.44 3fqx h GLU 46 CO 0.75 1.22 1.41 1.63 -1.00 0.00 0.00 179.01 183.01 3fqx n LYS 47 N -4.07 3.55 -4.70 2.33 5.02 -1.26 -4.96 118.16 114.07 3fqx n LYS 47 Ca -0.12 -3.88 -0.33 0.00 -2.02 0.00 0.00 58.31 51.96 3fqx n LYS 47 Cb 0.79 -2.91 -0.16 0.00 -0.02 0.00 0.00 35.03 32.73 3fqx n LYS 47 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3fqx s VAL 48 N 0.56 2.50 0.32 -0.18 1.01 -1.26 -4.68 120.40 118.67 3fqx s VAL 48 Ca 0.40 -0.84 0.07 0.00 0.00 0.00 0.00 61.98 61.61 3fqx s VAL 48 Cb 0.01 -2.03 -0.03 0.00 0.00 0.00 0.00 36.38 34.33 3fqx s VAL 48 CO 0.00 0.53 0.28 -1.61 0.00 0.00 0.00 175.10 174.30 3fqx s GLU 49 N 0.68 2.75 0.06 2.72 2.02 -0.67 -4.93 118.70 121.33 3fqx s GLU 49 Ca -0.09 -1.26 -0.05 0.00 0.02 0.00 0.00 54.97 53.59 3fqx s GLU 49 Cb -0.16 -2.49 -0.02 0.00 0.10 0.00 0.00 34.13 31.56 3fqx s GLU 49 CO 0.02 0.14 0.08 -3.38 0.02 0.00 0.00 175.26 172.13 3fqx s HIS 50 N -2.28 0.31 0.89 1.61 -3.43 -1.26 -1.15 115.29 109.97 3fqx s HIS 50 Ca 0.40 -0.75 -0.12 0.00 -0.80 0.00 0.00 55.06 53.79 3fqx s HIS 50 Cb -0.06 -0.21 0.12 0.00 -1.43 0.00 0.00 32.58 31.00 3fqx s HIS 50 CO 0.26 -0.43 1.10 -1.54 -2.00 0.00 0.00 174.74 172.13 3fqx s SER 51 N -2.68 3.62 0.14 7.38 1.04 -0.26 -4.98 113.70 117.96 3fqx s SER 51 Ca 0.03 1.32 -0.30 0.00 0.48 0.00 0.00 55.95 57.48 3fqx s SER 51 Cb 0.04 -2.00 -0.07 0.00 0.10 0.00 0.00 66.02 64.09 3fqx s SER 51 CO -0.09 -2.52 1.09 -1.81 0.98 0.00 0.00 173.24 170.89 3fqx s ASP 52 N -3.64 7.27 0.02 7.02 1.01 -1.26 -4.75 116.67 122.34 3fqx s ASP 52 Ca 0.63 2.01 -0.36 0.00 0.71 0.00 0.00 52.55 55.54 3fqx s ASP 52 Cb -0.17 -2.60 -0.15 0.00 1.01 0.00 0.00 42.92 41.02 3fqx s ASP 52 CO 0.56 -0.24 1.55 -0.11 0.21 0.00 0.00 175.17 177.14 3fqx n LEU 53 N 2.76 2.45 0.00 1.23 7.94 -1.26 -4.95 117.00 125.17 3fqx n LEU 53 Ca 0.04 1.08 -0.17 0.00 -1.11 0.00 0.00 56.01 55.85 3fqx n LEU 53 Cb 0.47 -1.28 -0.07 0.00 0.53 0.00 0.00 43.42 43.08 3fqx n LEU 53 CO 0.54 -0.58 -0.09 -0.24 -1.11 0.00 0.00 177.39 175.91 3fqx n SER 54 N 3.84 -0.54 -3.76 1.96 2.88 -1.22 -5.05 113.62 111.74 3fqx n SER 54 Ca 0.20 -2.89 -0.10 0.00 -1.33 0.00 0.00 58.87 54.75 3fqx n SER 54 Cb 0.22 1.42 -0.05 0.00 -0.75 0.00 0.00 64.21 65.05 3fqx n SER 54 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 3fqx s PHE 55 N -3.16 -0.01 0.70 0.66 -0.12 -1.26 -1.77 117.98 113.03 3fqx s PHE 55 Ca 0.34 -0.34 0.00 0.00 -0.05 0.00 0.00 56.93 56.88 3fqx s PHE 55 Cb 0.02 0.19 0.12 0.00 -0.63 0.00 0.00 43.02 42.72 3fqx s PHE 55 CO 0.24 -0.75 0.97 -1.12 -0.05 0.00 0.00 175.22 174.51 3fqx s SER 56 N -2.87 4.44 0.37 1.98 0.01 0.01 -4.94 113.70 112.71 3fqx s SER 56 Ca 0.08 -0.40 0.11 0.00 1.31 0.00 0.00 55.95 57.05 3fqx s SER 56 Cb 0.02 -0.01 0.88 0.00 0.21 0.00 0.00 66.02 67.12 3fqx s SER 56 CO -0.07 -1.80 1.88 0.50 0.41 0.00 0.00 173.24 174.16 3fqx h LYS 57 N -0.45 0.60 -0.34 12.44 3.64 -2.03 0.63 116.57 131.07 3fqx h LYS 57 Ca -0.36 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 3fqx h LYS 57 Cb 1.27 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 3fqx h LYS 57 CO 0.41 0.40 0.00 -0.40 -2.27 0.00 0.00 179.45 177.58 3fqx n ASP 58 N -4.54 1.24 0.00 4.20 5.68 -1.26 -4.88 116.55 116.99 3fqx n ASP 58 Ca 0.17 -2.05 0.00 0.00 -0.50 0.00 0.00 54.79 52.41 3fqx n ASP 58 Cb 0.50 -0.22 0.00 0.00 -1.14 0.00 0.00 41.12 40.26 3fqx n ASP 58 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 3fqx n TRP 59 N 0.06 0.00 -2.36 2.11 7.02 0.21 -5.01 117.44 119.48 3fqx n TRP 59 Ca 0.06 0.00 -0.38 0.00 -1.02 0.00 0.00 57.50 56.16 3fqx n TRP 59 Cb 0.23 -0.21 -0.03 0.00 -2.42 0.00 0.00 31.31 28.88 3fqx n TRP 59 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 3fqx s SER 60 N -3.22 6.60 0.42 -0.99 1.04 -1.26 -4.68 113.70 111.61 3fqx s SER 60 Ca 0.00 2.27 -0.07 0.00 0.48 0.00 0.00 55.95 58.63 3fqx s SER 60 Cb 0.00 -2.61 -0.05 0.00 0.10 0.00 0.00 66.02 63.46 3fqx s SER 60 CO 0.00 -0.62 0.75 -0.36 0.98 0.00 0.00 173.24 173.99 3fqx s PHE 61 N -1.46 3.51 0.00 5.02 0.08 -0.04 -0.81 117.98 124.28 3fqx s PHE 61 Ca 0.57 0.87 -0.03 0.00 0.12 0.00 0.00 56.93 58.46 3fqx s PHE 61 Cb -0.29 -2.32 -0.00 0.00 -0.57 0.00 0.00 43.02 39.83 3fqx s PHE 61 CO 0.36 -0.14 0.06 1.52 -0.10 0.00 0.00 175.22 176.92 3fqx s TYR 62 N -2.50 0.09 -0.03 0.36 1.13 -0.73 -1.66 117.35 114.01 3fqx s TYR 62 Ca 0.48 -0.19 -0.06 0.00 -1.41 0.00 0.00 57.07 55.89 3fqx s TYR 62 Cb -0.10 -0.08 0.01 0.00 -1.10 0.00 0.00 41.96 40.68 3fqx s TYR 62 CO 0.37 -0.19 0.15 -0.51 -2.51 0.00 0.00 175.55 172.87 3fqx s LEU 63 N -1.06 1.45 -0.18 -3.49 1.43 -0.18 -3.38 118.68 113.28 3fqx s LEU 63 Ca -0.12 0.09 -0.04 0.00 -1.03 0.00 0.00 54.13 53.03 3fqx s LEU 63 Cb -0.07 0.62 -0.02 0.00 0.03 0.00 0.00 46.19 46.75 3fqx s LEU 63 CO 0.00 -0.20 -0.03 -0.22 0.23 0.00 0.00 176.35 176.13 3fqx s LEU 64 N -0.58 3.11 -0.07 1.79 2.96 -1.26 -1.27 118.68 123.36 3fqx s LEU 64 Ca -0.07 -0.24 -0.02 0.00 -0.22 0.00 0.00 54.13 53.59 3fqx s LEU 64 Cb -0.04 -1.77 -0.03 0.00 0.50 0.00 0.00 46.19 44.85 3fqx s LEU 64 CO 0.01 0.09 0.01 -0.31 -1.32 0.00 0.00 176.35 174.83 3fqx s TYR 65 N 0.85 3.18 0.02 5.38 1.51 0.28 -1.10 117.35 127.47 3fqx s TYR 65 Ca -0.01 0.20 -0.23 0.00 -1.01 0.00 0.00 57.07 56.02 3fqx s TYR 65 Cb -0.15 -1.78 0.05 0.00 -0.11 0.00 0.00 41.96 39.98 3fqx s TYR 65 CO 0.02 0.48 0.53 1.52 -1.11 0.00 0.00 175.55 176.99 3fqx s TYR 66 N -0.93 -0.44 0.08 2.71 1.13 -0.30 -0.16 117.35 119.44 3fqx s TYR 66 Ca 0.15 0.59 -0.22 0.00 -1.41 0.00 0.00 57.07 56.18 3fqx s TYR 66 Cb -0.11 0.32 0.05 0.00 -1.10 0.00 0.00 41.96 41.12 3fqx s TYR 66 CO 0.04 -0.60 0.52 -0.08 -2.51 0.00 0.00 175.55 172.92 3fqx s THR 67 N -2.01 0.03 0.42 -3.49 -1.32 -0.86 -1.67 115.64 106.74 3fqx s THR 67 Ca -0.08 -0.25 -0.25 0.00 -1.21 0.00 0.00 61.69 59.91 3fqx s THR 67 Cb -0.01 -1.01 -0.08 0.00 -1.51 0.00 0.00 72.50 69.88 3fqx s THR 67 CO 0.02 -0.14 1.17 -1.61 -2.21 0.00 0.00 174.62 171.84 3fqx s GLU 68 N -2.90 3.98 0.19 7.08 2.02 -1.26 -0.45 118.70 127.36 3fqx s GLU 68 Ca -0.03 1.81 -0.16 0.00 0.02 0.00 0.00 54.97 56.61 3fqx s GLU 68 Cb -0.00 -2.60 0.02 0.00 0.10 0.00 0.00 34.13 31.65 3fqx s GLU 68 CO -0.05 -0.37 0.50 -0.59 0.02 0.00 0.00 175.26 174.76 3fqx s PHE 69 N -1.46 -0.05 -0.23 1.61 -0.71 -0.72 -4.79 117.98 111.63 3fqx s PHE 69 Ca 0.59 -0.29 0.01 0.00 -1.04 0.00 0.00 56.93 56.20 3fqx s PHE 69 Cb -0.30 0.34 0.06 0.00 -1.21 0.00 0.00 43.02 41.91 3fqx s PHE 69 CO 0.37 -0.90 -0.07 0.99 -1.34 0.00 0.00 175.22 174.28 3fqx s THR 70 N -3.89 1.64 0.35 -4.49 2.01 -1.26 -0.53 115.64 109.47 3fqx s THR 70 Ca 0.10 -1.26 -0.28 0.00 0.31 0.00 0.00 61.69 60.56 3fqx s THR 70 Cb -0.00 -1.86 -0.12 0.00 0.01 0.00 0.00 72.50 70.53 3fqx s THR 70 CO -0.02 -0.05 1.33 -2.65 -0.69 0.00 0.00 174.62 172.53 3fqx n PRO 71 N 4.64 2.24 -4.20 4.92 -0.02 -1.26 -4.81 135.00 136.51 3fqx n PRO 71 Ca -0.13 0.78 -0.13 0.00 -2.02 0.00 0.00 63.50 62.00 3fqx n PRO 71 Cb 0.44 -2.40 -0.09 0.00 -0.02 0.00 0.00 33.50 31.43 3fqx n PRO 71 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3fqx s THR 72 N -1.09 0.00 0.25 3.45 -4.23 -1.26 -0.41 115.64 112.35 3fqx s THR 72 Ca 0.55 -1.94 0.17 0.00 -1.18 0.00 0.00 61.69 59.28 3fqx s THR 72 Cb -0.55 -2.48 0.10 0.00 1.34 0.00 0.00 72.50 70.91 3fqx s THR 72 CO 0.62 0.00 1.75 -0.33 -0.54 0.00 0.00 174.62 176.13 3fqx h GLU 73 N 2.48 0.00 0.00 3.99 5.08 -1.97 -3.35 114.58 120.82 3fqx h GLU 73 Ca -0.33 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 57.78 3fqx h GLU 73 Cb 1.25 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.45 3fqx h GLU 73 CO 0.48 0.41 -2.26 1.63 -1.00 0.00 0.00 179.01 178.27 3fqx n LYS 74 N -3.71 0.69 -3.32 2.33 5.02 -1.26 -4.97 118.16 112.95 3fqx n LYS 74 Ca -0.01 -0.07 -0.38 0.00 -2.02 0.00 0.00 58.31 55.83 3fqx n LYS 74 Cb 0.49 -1.52 -0.06 0.00 -0.02 0.00 0.00 35.03 33.92 3fqx n LYS 74 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3fqx s ASP 75 N -5.17 6.99 -0.16 4.39 1.01 -1.26 -5.06 116.67 117.42 3fqx s ASP 75 Ca -0.09 1.18 -0.05 0.00 0.71 0.00 0.00 52.55 54.30 3fqx s ASP 75 Cb 0.08 -2.34 -0.03 0.00 1.01 0.00 0.00 42.92 41.65 3fqx s ASP 75 CO 0.85 0.26 -0.00 -0.70 0.21 0.00 0.00 175.17 175.79 3fqx s GLU 76 N -0.98 3.69 0.18 8.23 2.12 -1.26 -4.66 118.70 126.02 3fqx s GLU 76 Ca 0.28 -0.45 0.08 0.00 0.36 0.00 0.00 54.97 55.24 3fqx s GLU 76 Cb -0.19 -3.00 -0.04 0.00 0.26 0.00 0.00 34.13 31.17 3fqx s GLU 76 CO 0.17 0.31 -0.06 0.71 -0.54 0.00 0.00 175.26 175.85 3fqx s TYR 77 N 0.21 2.71 0.20 5.30 2.02 -1.26 0.21 117.35 126.75 3fqx s TYR 77 Ca 0.00 -0.19 -0.23 0.00 -0.37 0.00 0.00 57.07 56.29 3fqx s TYR 77 Cb -0.13 -1.32 0.05 0.00 -0.40 0.00 0.00 41.96 40.16 3fqx s TYR 77 CO 0.02 0.51 0.69 0.00 -1.57 0.00 0.00 175.55 175.21 3fqx s ALA 78 N -1.71 -1.46 -0.08 3.71 0.00 -0.81 -0.84 121.76 120.57 3fqx s ALA 78 Ca 0.26 0.16 0.04 0.00 0.00 0.00 0.00 51.96 52.42 3fqx s ALA 78 Cb -0.09 0.83 -0.01 0.00 0.00 0.00 0.00 23.12 23.84 3fqx s ALA 78 CO 0.16 -0.90 -0.20 0.00 0.00 0.00 0.00 175.76 174.82 3fqx s ARG 80 N -0.07 3.11 -0.08 0.00 3.52 0.47 -0.98 118.95 124.92 3fqx s ARG 80 Ca -0.05 -0.79 0.04 0.00 -0.13 0.00 0.00 55.73 54.80 3fqx s ARG 80 Cb -0.14 -2.60 0.00 0.00 -1.56 0.00 0.00 34.95 30.65 3fqx s ARG 80 CO 0.04 -0.08 -0.21 0.08 -0.81 0.00 0.00 175.30 174.33 3fqx s VAL 81 N 1.03 1.76 0.08 7.11 1.01 0.19 -0.79 120.40 130.79 3fqx s VAL 81 Ca -0.01 -0.87 0.07 0.00 0.00 0.00 0.00 61.98 61.17 3fqx s VAL 81 Cb -0.15 -1.53 -0.03 0.00 0.00 0.00 0.00 36.38 34.68 3fqx s VAL 81 CO -0.05 0.49 -0.20 0.21 0.00 0.00 0.00 175.10 175.56 3fqx s ASN 82 N 0.27 2.40 -0.03 3.32 3.84 0.46 -0.41 114.94 124.78 3fqx s ASN 82 Ca -0.13 -0.61 -0.29 0.00 0.21 0.00 0.00 52.86 52.04 3fqx s ASN 82 Cb -0.16 -0.15 0.09 0.00 -0.55 0.00 0.00 41.25 40.48 3fqx s ASN 82 CO 0.06 0.08 0.75 -2.28 -2.79 0.00 0.00 177.10 172.92 3fqx s HIS 83 N -1.03 -0.54 0.56 0.43 5.65 -1.26 -0.85 115.29 118.24 3fqx s HIS 83 Ca 0.06 0.79 0.26 0.00 0.25 0.00 0.00 55.06 56.42 3fqx s HIS 83 Cb -0.09 0.46 1.49 0.00 -1.18 0.00 0.00 32.58 33.26 3fqx s HIS 83 CO 0.03 -0.59 2.03 -0.24 -0.65 0.00 0.00 174.74 175.32 3fqx h VAL 84 N 2.62 0.60 0.00 0.89 3.04 -1.95 0.13 116.25 121.58 3fqx h VAL 84 Ca -0.26 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.43 3fqx h VAL 84 Cb 1.19 0.77 0.00 0.00 -2.01 0.00 0.00 31.29 31.24 3fqx h VAL 84 CO 0.36 0.00 0.00 0.35 -1.01 0.00 0.00 177.57 177.27 3fqx n THR 85 N -4.08 0.48 -4.15 3.17 -2.24 -1.26 -4.78 114.28 101.42 3fqx n THR 85 Ca 0.06 0.08 -0.34 0.00 -2.27 0.00 0.00 64.05 61.57 3fqx n THR 85 Cb 0.48 -0.74 -0.10 0.00 -2.10 0.00 0.00 70.33 67.87 3fqx n THR 85 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3fqx s LEU 86 N -3.27 3.66 0.26 3.22 1.43 0.46 -4.98 118.68 119.46 3fqx s LEU 86 Ca 0.10 0.05 -0.04 0.00 -1.03 0.00 0.00 54.13 53.22 3fqx s LEU 86 Cb 0.14 -1.90 0.34 0.00 0.03 0.00 0.00 46.19 44.80 3fqx s LEU 86 CO 0.43 0.21 1.86 0.28 0.23 0.00 0.00 176.35 179.36 3fqx h SER 87 N 6.41 0.94 -5.19 2.29 0.02 -1.86 -3.44 113.55 112.72 3fqx h SER 87 Ca -0.38 -0.11 -0.08 0.00 -0.84 0.00 0.00 61.79 60.37 3fqx h SER 87 Cb 1.18 -0.24 -0.13 0.00 0.14 0.00 0.00 62.40 63.35 3fqx h SER 87 CO 0.66 0.81 -0.29 0.00 -1.14 0.00 0.00 176.83 176.87 3fqx s GLN 88 N -5.55 1.03 0.38 3.45 -2.07 -1.26 -5.13 119.66 110.51 3fqx s GLN 88 Ca -0.11 -1.01 -0.27 0.00 -1.82 0.00 0.00 55.36 52.15 3fqx s GLN 88 Cb 0.16 0.38 -0.11 0.00 -1.09 0.00 0.00 33.01 32.35 3fqx s GLN 88 CO 0.81 -0.37 1.32 -2.30 -1.32 0.00 0.00 175.29 173.44 3fqx n PRO 89 N -0.16 2.16 -3.72 9.60 -0.02 -1.26 -4.93 135.00 136.68 3fqx n PRO 89 Ca -0.12 0.76 -0.35 0.00 -2.02 0.00 0.00 63.50 61.77 3fqx n PRO 89 Cb 0.63 -2.42 -0.08 0.00 -0.02 0.00 0.00 33.50 31.61 3fqx n PRO 89 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3fqx s LYS 90 N -2.04 4.16 -0.16 -0.52 2.20 0.45 -4.90 119.74 118.92 3fqx s LYS 90 Ca 0.57 -0.18 -0.01 0.00 -0.36 0.00 0.00 55.97 55.99 3fqx s LYS 90 Cb -0.53 -3.41 -0.01 0.00 -1.51 0.00 0.00 37.83 32.37 3fqx s LYS 90 CO 0.61 0.32 -0.11 0.42 -0.36 0.00 0.00 175.35 176.22 3fqx s ILE 91 N 0.30 3.00 -0.19 5.43 1.01 -1.26 -0.64 121.20 128.85 3fqx s ILE 91 Ca 0.09 -0.65 0.00 0.00 0.00 0.00 0.00 60.65 60.09 3fqx s ILE 91 Cb -0.11 -2.30 0.02 0.00 0.01 0.00 0.00 42.46 40.08 3fqx s ILE 91 CO -0.01 0.50 -0.17 -0.69 0.00 0.00 0.00 174.94 174.57 3fqx s VAL 92 N 0.83 2.32 0.29 2.92 1.01 -0.15 -4.97 120.40 122.64 3fqx s VAL 92 Ca -0.04 -0.88 -0.29 0.00 0.00 0.00 0.00 61.98 60.78 3fqx s VAL 92 Cb -0.15 -2.01 -0.09 0.00 0.00 0.00 0.00 36.38 34.13 3fqx s VAL 92 CO 0.00 0.50 1.04 -0.54 0.00 0.00 0.00 175.10 176.10 3fqx s LYS 93 N 1.32 4.64 0.13 2.72 1.02 -1.26 -0.78 119.74 127.53 3fqx s LYS 93 Ca 0.05 1.65 -0.31 0.00 0.02 0.00 0.00 55.97 57.38 3fqx s LYS 93 Cb -0.13 -3.11 -0.08 0.00 -0.52 0.00 0.00 37.83 33.98 3fqx s LYS 93 CO -0.11 0.27 1.33 -0.46 -0.92 0.00 0.00 175.35 175.45 3fqx s TRP 94 N -1.26 3.29 -0.15 3.18 -0.00 -0.02 -4.91 118.94 119.07 3fqx s TRP 94 Ca 0.45 1.10 0.00 0.00 -0.00 0.00 0.00 56.10 57.66 3fqx s TRP 94 Cb -0.28 -3.60 0.03 0.00 -0.00 0.00 0.00 33.47 29.61 3fqx s TRP 94 CO 0.36 -2.01 -0.12 0.34 -0.00 0.00 0.00 176.95 175.52 3fqx s ASP 95 N 0.85 2.73 0.20 5.86 -1.08 -1.26 -4.76 116.67 119.20 3fqx s ASP 95 Ca 0.61 -0.53 0.16 0.00 -0.52 0.00 0.00 52.55 52.27 3fqx s ASP 95 Cb -0.35 -1.12 0.79 0.00 -1.46 0.00 0.00 42.92 40.78 3fqx s ASP 95 CO 0.32 -0.09 1.49 -2.11 0.52 0.00 0.00 175.17 175.31 3fqx n ARG 96 N 4.79 0.10 -0.08 4.34 1.85 -1.26 -1.54 116.66 124.87 3fqx n ARG 96 Ca -0.16 0.53 0.11 0.00 -1.00 0.00 0.00 57.85 57.33 3fqx n ARG 96 Cb 0.49 -1.79 0.37 0.00 -1.05 0.00 0.00 32.46 30.49 3fqx n ARG 96 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 3fqx n ASP 97 N -2.00 1.79 0.00 2.89 8.00 -1.26 -4.78 116.55 121.19 3fqx n ASP 97 Ca 0.00 -1.71 0.00 0.00 0.71 0.00 0.00 54.79 53.79 3fqx n ASP 97 Cb 0.08 -0.10 0.00 0.00 -0.02 0.00 0.00 41.12 41.07 3fqx n ASP 97 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04