#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g4f n LYS 2 N 0.00 2.90 -2.12 -2.82 4.76 -1.26 -4.65 118.16 114.98 1g4f n LYS 2 Ca 0.00 -4.36 -0.37 0.00 -2.87 0.00 0.00 58.31 50.72 1g4f n LYS 2 Cb 0.00 -2.07 0.01 0.00 -1.84 0.00 0.00 35.03 31.13 1g4f n LYS 2 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1g4f s ALA 3 N -3.39 2.79 1.00 7.82 0.00 -1.26 -4.33 121.76 124.39 1g4f s ALA 3 Ca 0.45 1.00 0.00 0.00 0.00 0.00 0.00 51.96 53.41 1g4f s ALA 3 Cb 0.37 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 20.06 1g4f s ALA 3 CO -0.14 -0.93 0.00 -1.13 0.00 0.00 0.00 175.76 173.57 1g4f n SER 4 N -1.00 -0.11 0.00 0.00 3.41 -1.26 -2.52 113.62 112.14 1g4f n SER 4 Ca 0.10 -0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 1g4f n SER 4 Cb 0.48 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 1g4f n SER 4 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1g4f s LYS 6 N 1.57 0.27 -0.90 0.00 -2.85 -1.26 -3.76 119.74 112.81 1g4f s LYS 6 Ca 0.00 0.06 -0.33 0.00 -1.00 0.00 0.00 55.97 54.70 1g4f s LYS 6 Cb 0.00 -0.87 -0.21 0.00 -2.06 0.00 0.00 37.83 34.69 1g4f s LYS 6 CO 0.00 -0.84 2.60 1.47 0.10 0.00 0.00 175.35 178.68 1g4f n LEU 7 N 5.32 0.41 -0.08 2.77 -0.00 -1.26 -4.76 117.00 119.40 1g4f n LEU 7 Ca -0.04 0.25 -0.08 0.00 -0.00 0.00 0.00 56.01 56.14 1g4f n LEU 7 Cb 0.48 -0.93 -0.01 0.00 -0.00 0.00 0.00 43.42 42.96 1g4f n LEU 7 CO 0.04 -0.74 0.97 -0.65 -0.00 0.00 0.00 177.39 177.01 1g4f h PRO 8 N 11.64 0.32 -6.29 1.47 0.10 -1.97 -3.43 132.00 133.82 1g4f h PRO 8 Ca -0.06 -0.02 -0.59 0.00 0.10 0.00 0.00 66.00 65.43 1g4f h PRO 8 Cb 1.33 -0.07 -0.11 0.00 0.10 0.00 0.00 31.00 32.25 1g4f h PRO 8 CO 1.33 0.21 -0.67 0.08 0.10 0.00 0.00 178.00 179.06 1g4f s VAL 9 N -6.17 3.43 -1.85 3.15 1.01 -1.26 -5.01 120.40 113.70 1g4f s VAL 9 Ca -0.13 -1.75 0.14 0.00 0.00 0.00 0.00 61.98 60.24 1g4f s VAL 9 Cb 0.10 -2.78 0.41 0.00 0.00 0.00 0.00 36.38 34.12 1g4f s VAL 9 CO 0.70 -0.25 1.33 2.29 0.00 0.00 0.00 175.10 179.17 1g4f n LYS 10 N -0.49 2.19 -2.71 2.72 2.85 -1.26 -4.19 118.16 117.27 1g4f n LYS 10 Ca -0.08 -1.67 -0.03 0.00 -1.05 0.00 0.00 58.31 55.48 1g4f n LYS 10 Cb 0.57 -1.42 0.10 0.00 -0.65 0.00 0.00 35.03 33.64 1g4f n LYS 10 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1g4f n LYS 11 N 0.79 1.42 -3.10 -1.58 5.02 -1.26 -4.58 118.16 114.87 1g4f n LYS 11 Ca 0.15 -1.94 -0.41 0.00 -2.02 0.00 0.00 58.31 54.10 1g4f n LYS 11 Cb 0.43 -0.20 -0.06 0.00 -0.02 0.00 0.00 35.03 35.18 1g4f n LYS 11 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1g4f s ALA 12 N -0.97 3.59 -0.29 7.82 0.00 -1.26 -4.95 121.76 125.70 1g4f s ALA 12 Ca 0.16 -0.49 -0.11 0.00 0.00 0.00 0.00 51.96 51.52 1g4f s ALA 12 Cb 0.41 -3.06 -0.04 0.00 0.00 0.00 0.00 23.12 20.43 1g4f s ALA 12 CO -0.09 -0.90 0.19 0.99 0.00 0.00 0.00 175.76 175.95 1g4f s THR 13 N 2.56 5.24 0.27 0.00 2.01 -1.26 -0.36 115.64 124.10 1g4f s THR 13 Ca 0.26 0.09 0.01 0.00 0.31 0.00 0.00 61.69 62.36 1g4f s THR 13 Cb -0.15 -3.52 -0.00 0.00 0.01 0.00 0.00 72.50 68.83 1g4f s THR 13 CO 0.09 0.22 0.04 1.33 -0.69 0.00 0.00 174.62 175.62 1g4f n VAL 14 N 5.06 0.00 -3.88 3.82 0.24 -0.90 -3.97 118.33 118.70 1g4f n VAL 14 Ca -0.14 -1.43 -0.30 0.00 -2.04 0.00 0.00 64.34 60.43 1g4f n VAL 14 Cb 0.52 0.40 -0.14 0.00 -1.47 0.00 0.00 33.84 33.15 1g4f n VAL 14 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1g4f s VAL 15 N -2.28 2.02 -0.15 3.34 1.01 -0.64 -2.28 120.40 121.42 1g4f s VAL 15 Ca 0.06 -2.71 -0.10 0.00 0.00 0.00 0.00 61.98 59.23 1g4f s VAL 15 Cb 0.00 -2.44 -0.05 0.00 0.00 0.00 0.00 36.38 33.90 1g4f s VAL 15 CO 0.04 -0.77 0.20 -0.47 0.00 0.00 0.00 175.10 174.10 1g4f s TYR 16 N 0.34 3.51 -1.49 5.22 5.04 0.45 -3.60 117.35 126.82 1g4f s TYR 16 Ca 0.15 0.51 -0.12 0.00 -2.44 0.00 0.00 57.07 55.17 1g4f s TYR 16 Cb -0.23 -2.15 0.07 0.00 0.35 0.00 0.00 41.96 40.00 1g4f s TYR 16 CO -0.04 0.44 1.02 1.04 -1.34 0.00 0.00 175.55 176.67 1g4f n GLN 17 N 2.93 -6.03 -2.71 4.97 1.13 -1.26 -0.66 117.38 115.75 1g4f n GLN 17 Ca -0.16 0.65 -0.20 0.00 -1.94 0.00 0.00 57.00 55.35 1g4f n GLN 17 Cb 0.53 -5.56 0.02 0.00 0.11 0.00 0.00 30.24 25.33 1g4f n GLN 17 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1g4f n GLY 18 N -1.75 -0.43 2.93 1.08 0.00 -1.26 -4.98 105.19 100.77 1g4f n GLY 18 Ca 0.02 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.89 1g4f n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1g4f s GLU 19 N -5.34 0.33 -0.03 1.61 2.02 0.17 -5.12 118.70 112.34 1g4f s GLU 19 Ca 0.16 -0.13 -0.18 0.00 0.02 0.00 0.00 54.97 54.85 1g4f s GLU 19 Cb -0.07 -0.33 -0.05 0.00 0.10 0.00 0.00 34.13 33.78 1g4f s GLU 19 CO 0.20 0.07 0.49 1.03 0.02 0.00 0.00 175.26 177.06 1g4f s ARG 20 N 0.00 4.18 0.11 1.61 0.52 -1.26 -0.41 118.95 123.70 1g4f s ARG 20 Ca 0.00 0.53 -0.24 0.00 -0.52 0.00 0.00 55.73 55.51 1g4f s ARG 20 Cb -0.03 -3.32 0.06 0.00 0.52 0.00 0.00 34.95 32.19 1g4f s ARG 20 CO -0.00 0.44 0.59 0.14 0.02 0.00 0.00 175.30 176.49 1g4f s VAL 21 N -0.34 0.01 -0.43 3.52 -7.23 -0.97 -4.98 120.40 109.99 1g4f s VAL 21 Ca 0.26 -0.08 -0.21 0.00 -1.81 0.00 0.00 61.98 60.15 1g4f s VAL 21 Cb -0.17 -1.01 0.02 0.00 0.56 0.00 0.00 36.38 35.78 1g4f s VAL 21 CO 0.14 -0.04 0.65 -0.54 -0.31 0.00 0.00 175.10 174.99 1g4f s LYS 22 N -3.19 3.34 0.53 4.82 -0.14 -1.26 -2.11 119.74 121.72 1g4f s LYS 22 Ca -0.01 -0.30 0.40 0.00 -1.36 0.00 0.00 55.97 54.70 1g4f s LYS 22 Cb -0.01 -3.93 1.59 0.00 -1.68 0.00 0.00 37.83 33.80 1g4f s LYS 22 CO -0.08 -0.98 1.69 0.97 -0.76 0.00 0.00 175.35 176.19 1g4f h ILE 23 N 5.86 0.22 0.00 2.17 2.10 -1.06 2.20 117.51 129.01 1g4f h ILE 23 Ca -0.25 -0.01 -0.00 0.00 1.08 0.00 0.00 64.86 65.67 1g4f h ILE 23 Cb 1.10 0.19 -0.00 0.00 -1.09 0.00 0.00 36.82 37.02 1g4f h ILE 23 CO 0.89 0.01 -0.00 0.06 -1.08 0.00 0.00 178.15 178.02 1g4f h GLN 24 N 0.03 0.00 0.00 2.19 3.07 -1.77 -1.70 115.11 116.93 1g4f h GLN 24 Ca 0.74 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.48 1g4f h GLN 24 Cb 2.86 0.00 0.00 0.00 0.08 0.00 0.00 27.48 30.42 1g4f h GLN 24 CO -0.07 0.00 -0.24 0.39 0.09 0.00 0.00 178.83 179.00 1g4f n GLU 25 N -3.09 0.13 -0.27 0.06 1.02 0.73 -3.21 120.64 116.01 1g4f n GLU 25 Ca -0.01 0.05 0.16 0.00 -0.02 0.00 0.00 57.16 57.35 1g4f n GLU 25 Cb 0.23 -0.60 0.44 0.00 -0.02 0.00 0.00 31.44 31.49 1g4f n GLU 25 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1g4f h LYS 26 N -0.24 0.53 -0.08 3.49 1.63 -1.36 -1.82 116.57 118.72 1g4f h LYS 26 Ca 0.00 -0.03 -0.08 0.00 -0.85 0.00 0.00 60.65 59.69 1g4f h LYS 26 Cb 0.24 -0.12 -0.09 0.00 -0.60 0.00 0.00 32.23 31.66 1g4f h LYS 26 CO 0.00 0.35 -0.59 1.19 -3.45 0.00 0.00 179.45 176.95 1g4f n PHE 27 N -4.58 0.30 0.19 1.91 3.72 -0.69 -4.79 117.46 113.53 1g4f n PHE 27 Ca 0.20 -1.49 0.15 0.00 -0.05 0.00 0.00 57.45 56.26 1g4f n PHE 27 Cb 0.63 -0.25 0.54 0.00 -0.94 0.00 0.00 39.48 39.45 1g4f n PHE 27 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 1g4f h LYS 28 N 1.14 0.00 -0.82 -1.08 -0.00 -0.82 0.56 116.57 115.55 1g4f h LYS 28 Ca 0.01 0.00 -0.53 0.00 -0.00 0.00 0.00 60.65 60.13 1g4f h LYS 28 Cb 1.15 0.00 -0.29 0.00 -0.00 0.00 0.00 32.23 33.08 1g4f h LYS 28 CO 0.09 0.00 0.28 0.09 -0.00 0.00 0.00 179.45 179.91 1g4f n ASN 29 N -3.03 5.47 0.00 7.07 3.02 -1.26 -4.91 115.26 121.62 1g4f n ASN 29 Ca 0.05 -3.75 0.00 0.00 -0.03 0.00 0.00 54.58 50.84 1g4f n ASN 29 Cb 0.77 -0.75 0.00 0.00 -0.61 0.00 0.00 39.78 39.19 1g4f n ASN 29 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1g4f n GLY 30 N -0.95 -0.45 3.88 7.41 0.00 0.20 -4.91 105.19 110.36 1g4f n GLY 30 Ca 0.53 -1.68 -0.21 0.00 0.00 0.00 0.00 46.02 44.66 1g4f n GLY 30 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1g4f s MET 31 N -2.65 2.83 0.75 1.61 -1.94 -1.25 -4.64 119.30 114.01 1g4f s MET 31 Ca 0.00 -1.21 -0.11 0.00 -1.71 0.00 0.00 55.69 52.66 1g4f s MET 31 Cb 0.00 -2.56 0.04 0.00 2.01 0.00 0.00 34.83 34.33 1g4f s MET 31 CO 0.00 0.13 1.08 -0.51 -0.01 0.00 0.00 175.02 175.71 1g4f s LEU 32 N -4.01 2.85 0.15 -0.03 2.01 -1.26 0.18 118.68 118.57 1g4f s LEU 32 Ca 0.40 1.46 -0.30 0.00 0.01 0.00 0.00 54.13 55.70 1g4f s LEU 32 Cb -0.07 -4.19 -0.07 0.00 0.01 0.00 0.00 46.19 41.87 1g4f s LEU 32 CO 0.27 -1.73 1.08 -2.28 1.01 0.00 0.00 176.35 174.71 1g4f s HIS 33 N -3.10 3.62 0.00 0.29 5.65 -1.25 -2.84 115.29 117.65 1g4f s HIS 33 Ca 0.59 1.61 0.00 0.00 0.25 0.00 0.00 55.06 57.51 1g4f s HIS 33 Cb -0.14 -3.25 0.00 0.00 -1.18 0.00 0.00 32.58 28.01 1g4f s HIS 33 CO 0.55 -0.52 0.00 0.41 -0.65 0.00 0.00 174.74 174.53 1g4f n GLY 34 N 2.23 0.49 3.72 1.59 0.00 0.25 -4.93 105.19 108.54 1g4f n GLY 34 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1g4f n GLY 34 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1g4f s ASP 35 N -2.09 6.66 -0.24 1.61 -1.08 -1.13 -4.47 116.67 115.93 1g4f s ASP 35 Ca 0.00 2.56 -0.10 0.00 -0.52 0.00 0.00 52.55 54.49 1g4f s ASP 35 Cb 0.00 -2.60 -0.05 0.00 -1.46 0.00 0.00 42.92 38.81 1g4f s ASP 35 CO 0.00 -0.75 0.15 -0.54 0.52 0.00 0.00 175.17 174.55 1g4f s LYS 36 N 0.73 4.04 -0.00 4.34 -0.14 -1.26 -0.53 119.74 126.92 1g4f s LYS 36 Ca 0.66 -0.29 -0.01 0.00 -1.36 0.00 0.00 55.97 54.98 1g4f s LYS 36 Cb -0.42 -3.53 -0.00 0.00 -1.68 0.00 0.00 37.83 32.20 1g4f s LYS 36 CO 0.34 0.04 0.01 0.14 -0.76 0.00 0.00 175.35 175.12 1g4f s VAL 37 N 1.11 0.02 -0.06 3.17 -7.23 -0.91 -4.57 120.40 111.93 1g4f s VAL 37 Ca 0.07 -0.13 -0.02 0.00 -1.81 0.00 0.00 61.98 60.10 1g4f s VAL 37 Cb -0.14 -0.07 -0.04 0.00 0.56 0.00 0.00 36.38 36.70 1g4f s VAL 37 CO 0.05 -0.07 0.04 -0.44 -0.31 0.00 0.00 175.10 174.36 1g4f s SER 38 N -0.20 5.45 -0.05 4.85 0.01 -1.24 0.25 113.70 122.77 1g4f s SER 38 Ca -0.02 0.16 -0.04 0.00 1.31 0.00 0.00 55.95 57.36 1g4f s SER 38 Cb -0.02 -1.56 -0.04 0.00 0.21 0.00 0.00 66.02 64.62 1g4f s SER 38 CO -0.00 0.34 0.15 -0.36 0.41 0.00 0.00 173.24 173.78 1g4f s PHE 39 N -1.00 3.52 0.19 2.43 0.40 -0.98 -1.62 117.98 120.91 1g4f s PHE 39 Ca 0.17 0.39 -0.29 0.00 -0.60 0.00 0.00 56.93 56.61 1g4f s PHE 39 Cb -0.12 -1.86 -0.08 0.00 0.51 0.00 0.00 43.02 41.48 1g4f s PHE 39 CO 0.06 0.66 0.89 -0.06 0.70 0.00 0.00 175.22 177.48 1g4f s PHE 40 N -1.18 3.92 0.10 0.36 0.08 -1.25 -0.16 117.98 119.85 1g4f s PHE 40 Ca 0.22 1.80 0.02 0.00 0.12 0.00 0.00 56.93 59.09 1g4f s PHE 40 Cb -0.12 -2.93 -0.01 0.00 -0.57 0.00 0.00 43.02 39.39 1g4f s PHE 40 CO 0.12 0.42 0.07 0.00 -0.10 0.00 0.00 175.22 175.73 1g4f s LYS 42 N -2.41 1.07 -0.30 0.00 -2.85 -1.26 -2.27 119.74 111.72 1g4f s LYS 42 Ca 0.10 -1.14 0.03 0.00 -1.00 0.00 0.00 55.97 53.96 1g4f s LYS 42 Cb 0.00 -1.26 0.08 0.00 -2.06 0.00 0.00 37.83 34.60 1g4f s LYS 42 CO 0.07 0.29 -0.00 1.21 0.10 0.00 0.00 175.35 177.02 1g4f s ASN 43 N -1.96 4.53 0.05 0.03 3.04 0.77 -4.90 114.94 116.51 1g4f s ASN 43 Ca 0.06 -1.81 -0.22 0.00 0.04 0.00 0.00 52.86 50.93 1g4f s ASN 43 Cb -0.09 -1.50 -0.13 0.00 -1.54 0.00 0.00 41.25 37.98 1g4f s ASN 43 CO 0.04 -0.32 1.48 0.11 -3.04 0.00 0.00 177.10 175.37 1g4f h LYS 44 N 7.73 0.22 -0.95 0.43 1.57 -1.95 2.15 116.57 125.77 1g4f h LYS 44 Ca -0.10 -0.07 0.03 0.00 -1.87 0.00 0.00 60.65 58.64 1g4f h LYS 44 Cb 1.03 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 33.27 1g4f h LYS 44 CO 0.49 0.46 0.62 1.49 -0.57 0.00 0.00 179.45 181.94 1g4f h GLU 45 N -0.05 1.18 0.00 3.15 4.81 -1.95 -2.20 114.58 119.51 1g4f h GLU 45 Ca 0.03 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1g4f h GLU 45 Cb 0.36 -0.27 0.00 0.00 0.63 0.00 0.00 28.75 29.48 1g4f h GLU 45 CO 0.01 0.78 -0.91 1.63 -0.73 0.00 0.00 179.01 179.78 1g4f n LYS 46 N -4.47 0.47 -2.38 1.92 5.02 -1.15 -4.96 118.16 112.60 1g4f n LYS 46 Ca 0.12 0.09 -0.12 0.00 -2.02 0.00 0.00 58.31 56.38 1g4f n LYS 46 Cb 0.08 -1.75 0.00 0.00 -0.02 0.00 0.00 35.03 33.34 1g4f n LYS 46 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1g4f n LYS 47 N -2.40 -1.56 -4.10 1.97 5.02 0.72 -5.00 118.16 112.81 1g4f n LYS 47 Ca 0.01 0.54 -0.14 0.00 -2.02 0.00 0.00 58.31 56.70 1g4f n LYS 47 Cb 0.50 -4.63 -0.05 0.00 -0.02 0.00 0.00 35.03 30.83 1g4f n LYS 47 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1g4f s SER 49 N -3.22 4.78 0.36 0.00 1.04 -0.91 0.27 113.70 116.02 1g4f s SER 49 Ca 0.31 -0.94 -0.14 0.00 0.48 0.00 0.00 55.95 55.66 1g4f s SER 49 Cb 0.00 -0.36 0.04 0.00 0.10 0.00 0.00 66.02 65.80 1g4f s SER 49 CO 0.19 -0.71 0.71 -0.72 0.98 0.00 0.00 173.24 173.70 1g4f s TYR 50 N -2.57 0.26 0.04 5.02 -0.85 -0.96 -2.44 117.35 115.85 1g4f s TYR 50 Ca 0.43 -0.82 0.05 0.00 -0.52 0.00 0.00 57.07 56.21 1g4f s TYR 50 Cb -0.01 0.63 -0.04 0.00 0.38 0.00 0.00 41.96 42.93 1g4f s TYR 50 CO 0.25 -1.43 -0.08 0.95 -1.52 0.00 0.00 175.55 173.72 1g4f s THR 51 N -2.71 3.51 -0.58 -3.49 -4.23 -1.26 -0.45 115.64 106.43 1g4f s THR 51 Ca 0.18 -0.96 -0.01 0.00 -1.18 0.00 0.00 61.69 59.71 1g4f s THR 51 Cb -0.04 -2.57 0.15 0.00 1.34 0.00 0.00 72.50 71.38 1g4f s THR 51 CO 0.12 0.29 0.38 -1.61 -0.54 0.00 0.00 174.62 173.26 1g4f s GLU 52 N -1.70 2.37 0.33 3.99 0.41 0.77 -4.80 118.70 120.08 1g4f s GLU 52 Ca 0.19 -2.52 -0.21 0.00 -0.41 0.00 0.00 54.97 52.02 1g4f s GLU 52 Cb -0.11 -3.61 -0.15 0.00 -1.78 0.00 0.00 34.13 28.48 1g4f s GLU 52 CO 0.10 -1.15 0.18 -0.25 -0.49 0.00 0.00 175.26 173.65 1g4f n ASP 53 N 3.45 -2.30 -3.77 -0.19 8.00 -1.26 -2.32 116.55 118.15 1g4f n ASP 53 Ca 0.07 0.83 -0.18 0.00 0.71 0.00 0.00 54.79 56.22 1g4f n ASP 53 Cb 0.37 -0.84 -0.09 0.00 -0.02 0.00 0.00 41.12 40.54 1g4f n ASP 53 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1g4f s ALA 54 N -1.41 1.79 0.02 2.24 0.00 0.68 -4.82 121.76 120.26 1g4f s ALA 54 Ca 0.56 -1.85 -0.00 0.00 0.00 0.00 0.00 51.96 50.67 1g4f s ALA 54 Cb -0.67 1.33 -0.02 0.00 0.00 0.00 0.00 23.12 23.76 1g4f s ALA 54 CO 0.57 -0.59 -0.02 -1.14 0.00 0.00 0.00 175.76 174.58 1g4f s GLN 55 N -3.73 0.34 0.03 0.00 0.74 -1.26 -2.14 119.66 113.64 1g4f s GLN 55 Ca 0.38 -0.64 0.02 0.00 0.05 0.00 0.00 55.36 55.17 1g4f s GLN 55 Cb 0.04 0.12 -0.04 0.00 1.10 0.00 0.00 33.01 34.23 1g4f s GLN 55 CO 0.21 -0.06 0.02 0.00 -0.55 0.00 0.00 175.29 174.91 1g4f s ILE 57 N -1.18 0.19 -0.72 0.00 -1.09 0.11 0.88 121.20 119.38 1g4f s ILE 57 Ca 0.22 -2.00 -0.10 0.00 -2.23 0.00 0.00 60.65 56.54 1g4f s ILE 57 Cb -0.12 -2.52 -0.23 0.00 -1.58 0.00 0.00 42.46 38.01 1g4f s ILE 57 CO 0.14 0.00 1.65 -0.67 -1.23 0.00 0.00 174.94 174.82 1g4f n ASP 58 N -0.72 -0.79 -1.10 3.58 2.03 -1.25 0.42 116.55 118.72 1g4f n ASP 58 Ca 0.02 -0.28 -0.09 0.00 0.52 0.00 0.00 54.79 54.96 1g4f n ASP 58 Cb 0.65 -0.45 -0.04 0.00 -0.72 0.00 0.00 41.12 40.56 1g4f n ASP 58 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1g4f n GLY 59 N 4.15 0.88 2.86 0.27 0.00 0.69 -4.89 105.19 109.15 1g4f n GLY 59 Ca 0.49 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.33 1g4f n GLY 59 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1g4f s THR 60 N -1.71 0.31 -0.01 2.61 2.01 0.17 -4.60 115.64 114.42 1g4f s THR 60 Ca 0.00 -0.02 0.02 0.00 0.31 0.00 0.00 61.69 62.00 1g4f s THR 60 Cb 0.00 -0.36 -0.00 0.00 0.01 0.00 0.00 72.50 72.15 1g4f s THR 60 CO 0.00 0.16 -0.07 -0.51 -0.69 0.00 0.00 174.62 173.51 1g4f s ILE 61 N 0.82 0.58 -1.15 1.82 2.07 -1.26 0.04 121.20 124.13 1g4f s ILE 61 Ca -0.09 -0.29 -0.04 0.00 -1.41 0.00 0.00 60.65 58.81 1g4f s ILE 61 Cb -0.12 -0.50 0.25 0.00 0.13 0.00 0.00 42.46 42.22 1g4f s ILE 61 CO -0.01 0.17 1.81 -0.62 -1.91 0.00 0.00 174.94 174.39 1g4f n GLU 62 N 3.06 4.61 -1.55 3.50 1.02 -1.26 -5.01 120.64 125.01 1g4f n GLU 62 Ca -0.15 -4.20 -0.49 0.00 -0.02 0.00 0.00 57.16 52.30 1g4f n GLU 62 Cb 0.56 -2.60 -0.04 0.00 -0.02 0.00 0.00 31.44 29.34 1g4f n GLU 62 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 1g4f n VAL 63 N 1.40 1.02 -1.76 2.62 3.14 -1.26 -4.82 118.33 118.67 1g4f n VAL 63 Ca 0.41 -0.26 -0.41 0.00 -2.96 0.00 0.00 64.34 61.12 1g4f n VAL 63 Cb 0.30 -0.66 -0.01 0.00 -1.06 0.00 0.00 33.84 32.42 1g4f n VAL 63 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 1g4f n PRO 64 N 1.55 2.60 0.24 1.45 -0.01 -1.26 -4.88 135.00 134.69 1g4f n PRO 64 Ca 0.15 0.92 0.12 0.00 -0.01 0.00 0.00 63.50 64.68 1g4f n PRO 64 Cb 0.23 -2.64 0.54 0.00 -0.01 0.00 0.00 33.50 31.62 1g4f n PRO 64 CO 0.00 0.00 0.00 1.57 -0.01 0.00 0.00 175.50 177.06 1g4f h LYS 65 N 3.34 0.00 0.00 -0.52 2.10 -2.01 -2.76 116.57 116.73 1g4f h LYS 65 Ca -0.49 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.16 1g4f h LYS 65 Cb 1.24 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.57 1g4f h LYS 65 CO 0.67 0.15 -0.00 0.00 -2.00 0.00 0.00 179.45 178.27 1g4f s PHE 67 N -4.31 2.88 -0.30 0.00 5.36 -1.04 -4.91 117.98 115.67 1g4f s PHE 67 Ca -0.05 0.96 -0.17 0.00 -0.96 0.00 0.00 56.93 56.71 1g4f s PHE 67 Cb 0.14 -3.27 0.19 0.00 -0.34 0.00 0.00 43.02 39.74 1g4f s PHE 67 CO 0.46 -1.80 1.18 0.21 -1.46 0.00 0.00 175.22 173.81 1g4f s LYS 68 N -5.33 0.13 0.71 10.12 2.36 -1.26 -5.06 119.74 121.41 1g4f s LYS 68 Ca 0.61 0.27 -0.16 0.00 -2.55 0.00 0.00 55.97 54.14 1g4f s LYS 68 Cb -0.13 0.09 0.02 0.00 -1.05 0.00 0.00 37.83 36.76 1g4f s LYS 68 CO 0.52 -0.03 1.17 -1.91 1.55 0.00 0.00 175.35 176.65 1g4f n GLU 69 N 3.89 0.71 -1.39 4.03 2.13 -1.26 -4.84 120.64 123.90 1g4f n GLU 69 Ca -0.13 0.30 -0.28 0.00 0.66 0.00 0.00 57.16 57.71 1g4f n GLU 69 Cb 0.56 -2.41 -0.07 0.00 0.27 0.00 0.00 31.44 29.78 1g4f n GLU 69 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 1g4f n HIS 70 N -2.42 1.52 -2.25 4.31 -0.00 -1.26 -4.55 115.22 110.56 1g4f n HIS 70 Ca 0.15 -2.28 -0.30 0.00 -0.00 0.00 0.00 57.72 55.29 1g4f n HIS 70 Cb 0.49 -1.83 0.01 0.00 -0.00 0.00 0.00 29.99 28.66 1g4f n HIS 70 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1g4f n SER 71 N 2.25 5.44 -3.13 0.26 2.88 -1.26 -4.84 113.62 115.22 1g4f n SER 71 Ca 0.58 -3.75 0.04 0.00 -1.33 0.00 0.00 58.87 54.41 1g4f n SER 71 Cb 0.52 -0.59 -0.00 0.00 -0.75 0.00 0.00 64.21 63.39 1g4f n SER 71 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1g4f s SER 72 N -2.98 -1.03 -0.27 -3.46 0.15 -1.26 -5.04 113.70 99.81 1g4f s SER 72 Ca 0.50 0.05 -0.14 0.00 0.70 0.00 0.00 55.95 57.06 1g4f s SER 72 Cb 0.41 1.61 0.02 0.00 -1.71 0.00 0.00 66.02 66.35 1g4f s SER 72 CO -0.20 -0.18 0.30 0.18 1.20 0.00 0.00 173.24 174.54 1g4f n LEU 73 N 5.12 -5.00 -0.22 3.45 4.32 -1.26 -4.77 117.00 118.65 1g4f n LEU 73 Ca 0.07 0.49 0.17 0.00 -0.02 0.00 0.00 56.01 56.72 1g4f n LEU 73 Cb 0.56 -2.29 0.49 0.00 -1.62 0.00 0.00 43.42 40.57 1g4f n LEU 73 CO -0.10 -1.58 1.22 0.00 -1.22 0.00 0.00 177.39 175.71 1g4f h ALA 74 N 2.78 2.13 -3.38 -1.18 0.00 -1.96 -3.48 119.26 114.17 1g4f h ALA 74 Ca -0.16 0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.79 1g4f h ALA 74 Cb 0.91 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 1g4f h ALA 74 CO 0.12 -0.38 -0.91 1.19 0.00 0.00 0.00 179.25 179.28 1g4f n PHE 75 N -4.50 -3.87 0.78 0.00 3.01 -1.26 -4.37 117.46 107.24 1g4f n PHE 75 Ca 0.17 2.10 0.08 0.00 1.01 0.00 0.00 57.45 60.82 1g4f n PHE 75 Cb 0.61 -3.32 0.42 0.00 -0.01 0.00 0.00 39.48 37.18 1g4f n PHE 75 CO 0.00 0.00 0.00 0.91 1.01 0.00 0.00 176.76 178.68 1g4f n TRP 76 N -2.66 0.00 -0.01 1.38 8.01 -1.26 -4.74 117.44 118.15 1g4f n TRP 76 Ca -0.01 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.18 1g4f n TRP 76 Cb 0.46 -0.31 0.00 0.00 -2.01 0.00 0.00 31.31 29.45 1g4f n TRP 76 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 1g4f n LYS 77 N -1.31 0.78 -3.95 -0.99 4.76 -1.26 -5.02 118.16 111.17 1g4f n LYS 77 Ca 0.08 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.23 1g4f n LYS 77 Cb 0.14 0.00 -0.17 0.00 -1.84 0.00 0.00 35.03 33.17 1g4f n LYS 77 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1g4f s THR 78 N -0.08 1.32 0.27 -0.18 2.01 -1.26 -5.11 115.64 112.61 1g4f s THR 78 Ca 0.00 -0.57 -0.30 0.00 0.31 0.00 0.00 61.69 61.13 1g4f s THR 78 Cb 0.00 -1.33 -0.10 0.00 0.01 0.00 0.00 72.50 71.08 1g4f s THR 78 CO 0.00 0.33 1.44 -0.62 -0.69 0.00 0.00 174.62 175.08 1g4f s ASP 79 N 1.57 6.62 0.33 3.53 2.15 -1.26 -4.78 116.67 124.84 1g4f s ASP 79 Ca 0.03 2.72 0.09 0.00 0.43 0.00 0.00 52.55 55.83 1g4f s ASP 79 Cb -0.14 -2.63 0.98 0.00 -0.30 0.00 0.00 42.92 40.83 1g4f s ASP 79 CO -0.09 -0.71 1.59 0.00 -0.17 0.00 0.00 175.17 175.79 1g4f h ALA 80 N 4.64 1.58 0.00 3.66 0.00 -1.84 2.19 119.26 129.49 1g4f h ALA 80 Ca -0.47 0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1g4f h ALA 80 Cb 1.22 0.45 0.00 0.00 0.00 0.00 0.00 17.79 19.46 1g4f h ALA 80 CO 0.75 -0.70 0.00 0.45 0.00 0.00 0.00 179.25 179.75 1g4f n SER 81 N -5.36 0.26 -0.98 0.00 2.88 -1.26 -2.00 113.62 107.15 1g4f n SER 81 Ca 0.29 0.61 0.05 0.00 -1.33 0.00 0.00 58.87 58.48 1g4f n SER 81 Cb 0.95 -0.65 0.14 0.00 -0.75 0.00 0.00 64.21 63.90 1g4f n SER 81 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1g4f n ASP 82 N -1.83 1.51 -4.51 -3.46 8.00 0.74 -5.06 116.55 111.93 1g4f n ASP 82 Ca -0.00 -3.19 -0.28 0.00 0.71 0.00 0.00 54.79 52.03 1g4f n ASP 82 Cb 0.04 -0.44 -0.10 0.00 -0.02 0.00 0.00 41.12 40.60 1g4f n ASP 82 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1g4f s VAL 83 N -2.09 2.91 0.13 2.53 1.01 -0.85 -4.70 120.40 119.34 1g4f s VAL 83 Ca 0.37 -1.68 -0.25 0.00 0.00 0.00 0.00 61.98 60.42 1g4f s VAL 83 Cb 0.38 -2.40 -0.07 0.00 0.00 0.00 0.00 36.38 34.29 1g4f s VAL 83 CO -0.10 -0.04 0.76 -0.75 0.00 0.00 0.00 175.10 174.97 1g4f s LYS 84 N -2.56 4.53 0.32 2.72 2.20 -1.26 -4.74 119.74 120.94 1g4f s LYS 84 Ca 0.22 1.11 -0.29 0.00 -0.36 0.00 0.00 55.97 56.64 1g4f s LYS 84 Cb -0.09 -3.29 -0.11 0.00 -1.51 0.00 0.00 37.83 32.83 1g4f s LYS 84 CO 0.12 0.50 1.52 -2.14 -0.36 0.00 0.00 175.35 175.00 1g4f s PRO 85 N -0.87 4.14 0.00 4.03 0.01 -1.26 -2.14 135.00 138.91 1g4f s PRO 85 Ca 0.36 2.53 0.00 0.00 0.01 0.00 0.00 61.00 63.90 1g4f s PRO 85 Cb -0.22 -3.01 0.00 0.00 0.01 0.00 0.00 34.50 31.27 1g4f s PRO 85 CO 0.25 -0.55 0.12 0.00 0.01 0.00 0.00 177.00 176.83