#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 1.08 -3.07 -2.82 5.02 -1.26 -4.72 118.16 112.39 1g4f n LYS 2 Ca 0.00 -3.63 -0.40 0.00 -2.02 0.00 0.00 58.31 52.26 1g4f n LYS 2 Cb 0.00 -1.62 -0.05 0.00 -0.02 0.00 0.00 35.03 33.34 1g4f n LYS 2 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1g4f s ALA 3 N -1.22 3.47 1.08 7.82 0.00 -1.26 -4.58 121.76 127.06 1g4f s ALA 3 Ca 0.35 -0.08 -0.19 0.00 0.00 0.00 0.00 51.96 52.03 1g4f s ALA 3 Cb 0.12 -2.98 0.07 0.00 0.00 0.00 0.00 23.12 20.33 1g4f s ALA 3 CO -0.11 -0.38 -0.20 -1.13 0.00 0.00 0.00 175.76 173.93 1g4f n SER 4 N 4.56 -2.61 0.00 0.00 3.41 -1.26 -0.34 113.62 117.38 1g4f n SER 4 Ca -0.01 -0.17 0.00 0.00 -0.26 0.00 0.00 58.87 58.43 1g4f n SER 4 Cb 0.50 -0.83 0.00 0.00 -0.26 0.00 0.00 64.21 63.62 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 4.17 0.47 -0.92 0.00 2.20 -1.26 -4.03 119.74 120.37 1g4f s LYS 6 Ca 0.00 0.55 -0.27 0.00 -0.36 0.00 0.00 55.97 55.89 1g4f s LYS 6 Cb 0.00 0.01 -0.21 0.00 -1.51 0.00 0.00 37.83 36.12 1g4f s LYS 6 CO 0.00 -0.84 2.45 1.47 -0.36 0.00 0.00 175.35 178.07 1g4f n LEU 7 N 5.39 0.16 0.24 5.43 -0.00 -1.26 -4.70 117.00 122.26 1g4f n LEU 7 Ca 0.00 0.12 0.09 0.00 -0.00 0.00 0.00 56.01 56.22 1g4f n LEU 7 Cb 0.51 -0.82 0.61 0.00 -0.00 0.00 0.00 43.42 43.72 1g4f n LEU 7 CO 0.00 -0.71 0.95 1.55 -0.00 0.00 0.00 177.39 179.18 1g4f h PRO 8 N 10.97 0.00 -5.83 1.47 0.14 -1.98 -3.43 132.00 133.35 1g4f h PRO 8 Ca -0.04 0.00 -0.50 0.00 0.14 0.00 0.00 66.00 65.60 1g4f h PRO 8 Cb 1.19 0.00 -0.16 0.00 0.14 0.00 0.00 31.00 32.17 1g4f h PRO 8 CO 1.29 0.14 -0.76 0.08 0.14 0.00 0.00 178.00 178.90 1g4f s VAL 9 N -4.50 1.86 -1.38 1.56 1.01 -1.26 -5.03 120.40 112.66 1g4f s VAL 9 Ca -0.04 -2.08 0.18 0.00 0.00 0.00 0.00 61.98 60.05 1g4f s VAL 9 Cb 0.15 -1.97 0.67 0.00 0.00 0.00 0.00 36.38 35.23 1g4f s VAL 9 CO 0.65 -0.43 1.56 1.17 0.00 0.00 0.00 175.10 178.05 1g4f n LYS 10 N -0.05 3.34 -2.67 2.72 3.00 -1.26 -4.40 118.16 118.84 1g4f n LYS 10 Ca -0.10 -2.65 -0.04 0.00 -0.00 0.00 0.00 58.31 55.52 1g4f n LYS 10 Cb 0.59 -1.78 0.12 0.00 0.00 0.00 0.00 35.03 33.96 1g4f n LYS 10 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1g4f n LYS 11 N 1.18 1.28 -3.22 1.64 5.02 -1.26 -4.48 118.16 118.31 1g4f n LYS 11 Ca 0.24 -1.43 -0.39 0.00 -2.02 0.00 0.00 58.31 54.72 1g4f n LYS 11 Cb 0.78 0.24 -0.06 0.00 -0.02 0.00 0.00 35.03 35.98 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 0.15 3.44 -0.38 7.82 0.00 -1.26 -4.92 121.76 126.62 1g4f s ALA 12 Ca 0.14 -0.11 -0.09 0.00 0.00 0.00 0.00 51.96 51.90 1g4f s ALA 12 Cb 0.42 -2.76 0.05 0.00 0.00 0.00 0.00 23.12 20.83 1g4f s ALA 12 CO -0.11 -0.08 0.20 0.99 0.00 0.00 0.00 175.76 176.75 1g4f s THR 13 N 0.79 4.24 0.00 0.00 2.01 -1.26 -0.48 115.64 120.95 1g4f s THR 13 Ca 0.29 -1.12 0.00 0.00 0.31 0.00 0.00 61.69 61.17 1g4f s THR 13 Cb -0.16 -3.46 0.00 0.00 0.01 0.00 0.00 72.50 68.90 1g4f s THR 13 CO 0.12 -0.31 0.00 1.33 -0.69 0.00 0.00 174.62 175.07 1g4f n VAL 14 N 4.92 0.00 -3.87 3.82 0.24 -0.52 -4.37 118.33 118.55 1g4f n VAL 14 Ca -0.11 0.00 -0.30 0.00 -2.04 0.00 0.00 64.34 61.88 1g4f n VAL 14 Cb 0.45 -0.12 -0.15 0.00 -1.47 0.00 0.00 33.84 32.54 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 0.19 1.51 -0.21 3.34 1.01 -0.17 -1.84 120.40 124.23 1g4f s VAL 15 Ca 0.00 -1.78 -0.20 0.00 0.00 0.00 0.00 61.98 60.00 1g4f s VAL 15 Cb 0.00 -2.10 -0.03 0.00 0.00 0.00 0.00 36.38 34.25 1g4f s VAL 15 CO 0.00 -0.60 0.59 -0.47 0.00 0.00 0.00 175.10 174.62 1g4f s TYR 16 N 1.30 3.35 -1.23 5.22 5.04 0.58 -2.29 117.35 129.32 1g4f s TYR 16 Ca 0.09 0.84 0.00 0.00 -2.44 0.00 0.00 57.07 55.57 1g4f s TYR 16 Cb -0.18 -2.77 0.00 0.00 0.35 0.00 0.00 41.96 39.36 1g4f s TYR 16 CO -0.17 -0.20 0.00 1.04 -1.34 0.00 0.00 175.55 174.89 1g4f n GLN 17 N 5.16 -1.97 -0.74 4.97 6.02 -1.26 0.10 117.38 129.66 1g4f n GLN 17 Ca -0.02 0.69 0.00 0.00 -0.01 0.00 0.00 57.00 57.66 1g4f n GLN 17 Cb 0.50 -5.23 0.00 0.00 1.02 0.00 0.00 30.24 26.52 1g4f n GLN 17 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1g4f n GLY 18 N -0.72 0.56 3.05 1.08 0.00 -1.26 -5.05 105.19 102.85 1g4f n GLY 18 Ca -0.16 -0.79 -0.28 0.00 0.00 0.00 0.00 46.02 44.79 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 -1.50 2.17 0.20 1.61 2.02 0.12 -5.08 118.70 118.24 1g4f s GLU 19 Ca 0.00 -0.54 -0.31 0.00 0.02 0.00 0.00 54.97 54.14 1g4f s GLU 19 Cb 0.00 -1.86 -0.09 0.00 0.10 0.00 0.00 34.13 32.28 1g4f s GLU 19 CO 0.00 -0.07 1.44 1.03 0.02 0.00 0.00 175.26 177.68 1g4f s ARG 20 N 1.00 4.29 0.08 1.61 3.00 -1.26 -0.31 118.95 127.36 1g4f s ARG 20 Ca -0.06 2.23 -0.25 0.00 0.00 0.00 0.00 55.73 57.65 1g4f s ARG 20 Cb -0.15 -3.16 0.06 0.00 0.00 0.00 0.00 34.95 31.71 1g4f s ARG 20 CO -0.02 -0.44 0.60 0.14 0.00 0.00 0.00 175.30 175.58 1g4f s VAL 21 N 0.48 0.01 -0.07 3.52 -7.23 -0.77 -4.90 120.40 111.43 1g4f s VAL 21 Ca 0.62 -0.08 -0.12 0.00 -1.81 0.00 0.00 61.98 60.59 1g4f s VAL 21 Cb -0.40 -1.00 -0.05 0.00 0.56 0.00 0.00 36.38 35.49 1g4f s VAL 21 CO 0.37 -0.04 0.30 -0.54 -0.31 0.00 0.00 175.10 174.88 1g4f s LYS 22 N -2.76 3.83 0.44 4.82 -0.14 -1.26 -1.44 119.74 123.24 1g4f s LYS 22 Ca -0.04 0.17 0.23 0.00 -1.36 0.00 0.00 55.97 54.97 1g4f s LYS 22 Cb -0.01 -3.25 0.99 0.00 -1.68 0.00 0.00 37.83 33.88 1g4f s LYS 22 CO -0.04 0.63 1.87 0.97 -0.76 0.00 0.00 175.35 178.01 1g4f h ILE 23 N 4.00 0.68 -0.30 2.17 2.10 -1.12 0.56 117.51 125.60 1g4f h ILE 23 Ca -0.51 -1.07 -0.00 0.00 1.08 0.00 0.00 64.86 64.36 1g4f h ILE 23 Cb 1.21 1.69 -0.02 0.00 -1.09 0.00 0.00 36.82 38.62 1g4f h ILE 23 CO 0.63 0.24 0.17 0.06 -1.08 0.00 0.00 178.15 178.17 1g4f h GLN 24 N 0.00 0.40 0.00 2.19 3.07 -1.78 -2.31 115.11 116.67 1g4f h GLN 24 Ca -0.00 -0.03 -0.01 0.00 0.09 0.00 0.00 58.65 58.69 1g4f h GLN 24 Cb 0.67 -0.09 -0.00 0.00 0.08 0.00 0.00 27.48 28.14 1g4f h GLN 24 CO 0.03 0.29 -0.59 0.39 0.09 0.00 0.00 178.83 179.04 1g4f n GLU 25 N -4.47 0.27 -0.12 0.06 1.02 -1.07 -3.52 120.64 112.81 1g4f n GLU 25 Ca 0.01 0.11 0.28 0.00 -0.02 0.00 0.00 57.16 57.54 1g4f n GLU 25 Cb 0.09 -0.98 0.68 0.00 -0.02 0.00 0.00 31.44 31.21 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 -0.51 0.00 -0.35 3.49 1.63 -1.04 0.39 116.57 120.17 1g4f h LYS 26 Ca -0.02 0.00 -0.27 0.00 -0.85 0.00 0.00 60.65 59.51 1g4f h LYS 26 Cb 0.56 0.00 -0.32 0.00 -0.60 0.00 0.00 32.23 31.87 1g4f h LYS 26 CO -0.01 0.00 -0.87 1.19 -3.45 0.00 0.00 179.45 176.31 1g4f n PHE 27 N -3.76 1.21 -0.45 1.91 3.72 -0.87 -4.85 117.46 114.37 1g4f n PHE 27 Ca 0.17 -1.71 0.41 0.00 -0.05 0.00 0.00 57.45 56.28 1g4f n PHE 27 Cb 1.05 -0.25 0.74 0.00 -0.94 0.00 0.00 39.48 40.07 1g4f n PHE 27 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1g4f h LYS 28 N 1.80 0.00 -0.97 -1.08 3.64 -0.93 0.71 116.57 119.74 1g4f h LYS 28 Ca 0.04 0.00 -0.61 0.00 -1.27 0.00 0.00 60.65 58.81 1g4f h LYS 28 Cb 1.41 0.00 -0.37 0.00 -0.41 0.00 0.00 32.23 32.86 1g4f h LYS 28 CO 0.31 0.00 -0.12 0.09 -2.27 0.00 0.00 179.45 177.46 1g4f n ASN 29 N -3.89 6.03 -0.17 4.20 5.03 -1.26 -4.97 115.26 120.23 1g4f n ASN 29 Ca 0.32 -3.77 0.02 0.00 0.87 0.00 0.00 54.58 52.03 1g4f n ASN 29 Cb 1.59 -0.61 -0.01 0.00 -1.02 0.00 0.00 39.78 39.73 1g4f n ASN 29 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1g4f n GLY 30 N -0.76 -1.84 3.94 7.41 0.00 0.25 -4.84 105.19 109.36 1g4f n GLY 30 Ca 0.51 -1.46 -0.21 0.00 0.00 0.00 0.00 46.02 44.85 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 -1.87 3.32 0.65 1.61 -1.94 -1.26 -4.65 119.30 115.16 1g4f s MET 31 Ca 0.00 -0.83 -0.11 0.00 -1.71 0.00 0.00 55.69 53.04 1g4f s MET 31 Cb 0.00 -2.82 -0.02 0.00 2.01 0.00 0.00 34.83 34.00 1g4f s MET 31 CO 0.00 0.41 1.04 -0.51 -0.01 0.00 0.00 175.02 175.95 1g4f s LEU 32 N -3.96 3.17 0.20 -0.03 2.01 -1.26 0.26 118.68 119.06 1g4f s LEU 32 Ca 0.34 1.46 -0.30 0.00 0.01 0.00 0.00 54.13 55.64 1g4f s LEU 32 Cb -0.09 -4.44 -0.09 0.00 0.01 0.00 0.00 46.19 41.59 1g4f s LEU 32 CO 0.28 -1.09 1.33 -2.28 1.01 0.00 0.00 176.35 175.60 1g4f s HIS 33 N -3.15 3.22 0.00 0.29 5.65 -1.26 -2.26 115.29 117.79 1g4f s HIS 33 Ca 0.56 1.17 0.00 0.00 0.25 0.00 0.00 55.06 57.04 1g4f s HIS 33 Cb -0.12 -3.64 0.00 0.00 -1.18 0.00 0.00 32.58 27.64 1g4f s HIS 33 CO 0.54 -2.04 0.00 0.41 -0.65 0.00 0.00 174.74 173.01 1g4f n GLY 34 N 2.44 2.45 3.50 1.59 0.00 0.74 -4.95 105.19 110.97 1g4f n GLY 34 Ca 0.07 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.64 1g4f n GLY 34 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1g4f n ASP 35 N 0.00 -0.00 -4.26 1.61 9.92 -0.96 -4.23 116.55 118.63 1g4f n ASP 35 Ca 0.00 1.10 -0.32 0.00 -0.53 0.00 0.00 54.79 55.03 1g4f n ASP 35 Cb 0.00 -1.14 -0.16 0.00 -0.64 0.00 0.00 41.12 39.17 1g4f n ASP 35 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1g4f s LYS 36 N -1.40 3.16 0.00 -1.24 1.02 -1.26 -0.35 119.74 119.67 1g4f s LYS 36 Ca 0.61 -0.81 0.00 0.00 0.02 0.00 0.00 55.97 55.79 1g4f s LYS 36 Cb -0.74 -2.44 -0.00 0.00 -0.52 0.00 0.00 37.83 34.12 1g4f s LYS 36 CO 0.58 0.15 -0.01 0.14 -0.92 0.00 0.00 175.35 175.30 1g4f s VAL 37 N 0.45 0.04 -0.14 3.17 -7.23 -0.86 -4.18 120.40 111.66 1g4f s VAL 37 Ca -0.14 -0.08 -0.09 0.00 -1.81 0.00 0.00 61.98 59.86 1g4f s VAL 37 Cb -0.17 -0.06 -0.04 0.00 0.56 0.00 0.00 36.38 36.67 1g4f s VAL 37 CO 0.06 -0.02 0.17 -0.44 -0.31 0.00 0.00 175.10 174.56 1g4f s SER 38 N -0.10 6.37 -0.13 4.85 0.01 -0.97 0.27 113.70 124.00 1g4f s SER 38 Ca -0.01 0.43 -0.08 0.00 1.31 0.00 0.00 55.95 57.60 1g4f s SER 38 Cb -0.01 -2.10 -0.04 0.00 0.21 0.00 0.00 66.02 64.08 1g4f s SER 38 CO -0.00 0.30 0.16 -0.36 0.41 0.00 0.00 173.24 173.75 1g4f s PHE 39 N -0.47 3.57 0.09 2.43 0.40 -0.93 -1.00 117.98 122.07 1g4f s PHE 39 Ca 0.14 0.52 -0.30 0.00 -0.60 0.00 0.00 56.93 56.69 1g4f s PHE 39 Cb -0.12 -2.01 -0.05 0.00 0.51 0.00 0.00 43.02 41.34 1g4f s PHE 39 CO 0.03 0.63 0.98 -0.06 0.70 0.00 0.00 175.22 177.50 1g4f s PHE 40 N -0.72 3.75 0.04 0.36 0.08 -1.26 -0.22 117.98 120.02 1g4f s PHE 40 Ca 0.14 1.75 -0.01 0.00 0.12 0.00 0.00 56.93 58.94 1g4f s PHE 40 Cb -0.12 -3.10 -0.03 0.00 -0.57 0.00 0.00 43.02 39.20 1g4f s PHE 40 CO 0.03 0.06 -0.03 0.00 -0.10 0.00 0.00 175.22 175.19 1g4f s LYS 42 N -2.74 3.62 -0.09 0.00 0.00 -1.26 -0.21 119.74 119.06 1g4f s LYS 42 Ca -0.04 -0.06 0.01 0.00 0.00 0.00 0.00 55.97 55.88 1g4f s LYS 42 Cb -0.01 -2.98 -0.02 0.00 0.00 0.00 0.00 37.83 34.82 1g4f s LYS 42 CO -0.06 0.56 -0.11 1.21 0.00 0.00 0.00 175.35 176.96 1g4f s ASN 43 N -2.04 4.30 -0.15 0.03 3.84 0.49 -4.93 114.94 116.48 1g4f s ASN 43 Ca 0.34 -0.17 -0.16 0.00 0.21 0.00 0.00 52.86 53.08 1g4f s ASN 43 Cb -0.13 -1.24 -0.24 0.00 -0.55 0.00 0.00 41.25 39.09 1g4f s ASN 43 CO 0.21 0.29 0.40 0.11 -2.79 0.00 0.00 177.10 175.31 1g4f h LYS 44 N 5.81 0.15 -0.77 0.43 1.57 -1.94 0.77 116.57 122.59 1g4f h LYS 44 Ca -0.40 -0.26 0.04 0.00 -1.87 0.00 0.00 60.65 58.16 1g4f h LYS 44 Cb 1.18 0.10 -0.05 0.00 0.08 0.00 0.00 32.23 33.53 1g4f h LYS 44 CO 0.54 1.12 0.48 0.93 -0.57 0.00 0.00 179.45 181.95 1g4f h GLU 45 N -0.49 0.89 0.00 3.15 5.08 -1.97 -2.57 114.58 118.68 1g4f h GLU 45 Ca -0.34 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 1g4f h GLU 45 Cb 1.63 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.68 1g4f h GLU 45 CO -0.03 0.59 -1.32 1.63 -1.00 0.00 0.00 179.01 178.87 1g4f n LYS 46 N -4.64 0.60 -2.18 2.33 5.02 -1.26 -4.97 118.16 113.06 1g4f n LYS 46 Ca 0.09 0.01 -0.12 0.00 -2.02 0.00 0.00 58.31 56.28 1g4f n LYS 46 Cb 0.11 -1.71 -0.01 0.00 -0.02 0.00 0.00 35.03 33.40 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 -2.50 -0.92 -4.25 1.97 5.02 0.23 -5.01 118.16 112.70 1g4f n LYS 47 Ca -0.01 0.58 -0.15 0.00 -2.02 0.00 0.00 58.31 56.70 1g4f n LYS 47 Cb 0.55 -4.72 -0.09 0.00 -0.02 0.00 0.00 35.03 30.75 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 -3.26 5.68 0.21 0.00 1.04 -0.67 0.18 113.70 116.89 1g4f s SER 49 Ca 0.39 -0.32 -0.09 0.00 0.48 0.00 0.00 55.95 56.42 1g4f s SER 49 Cb 0.05 -0.80 0.03 0.00 0.10 0.00 0.00 66.02 65.40 1g4f s SER 49 CO 0.17 -0.74 0.45 0.00 0.98 0.00 0.00 173.24 174.10 1g4f n TYR 50 N -1.87 -1.72 -4.36 5.02 0.18 0.71 -2.38 117.16 112.73 1g4f n TYR 50 Ca 0.06 -1.02 -0.29 0.00 1.88 0.00 0.00 57.90 58.53 1g4f n TYR 50 Cb 0.59 0.51 -0.12 0.00 -0.38 0.00 0.00 39.34 39.94 1g4f n TYR 50 CO 0.00 0.00 0.00 0.95 -2.08 0.00 0.00 176.86 175.73 1g4f s THR 51 N -2.48 2.72 -0.56 -3.48 -4.23 -1.26 -0.96 115.64 105.38 1g4f s THR 51 Ca 0.09 -1.52 0.04 0.00 -1.18 0.00 0.00 61.69 59.12 1g4f s THR 51 Cb -0.03 -2.23 0.15 0.00 1.34 0.00 0.00 72.50 71.74 1g4f s THR 51 CO 0.06 0.13 0.36 -1.61 -0.54 0.00 0.00 174.62 173.02 1g4f s GLU 52 N -2.04 1.87 0.33 3.99 2.02 0.70 -4.81 118.70 120.76 1g4f s GLU 52 Ca 0.17 -2.70 -0.21 0.00 0.02 0.00 0.00 54.97 52.24 1g4f s GLU 52 Cb -0.10 -2.88 -0.15 0.00 0.10 0.00 0.00 34.13 31.09 1g4f s GLU 52 CO 0.09 -1.23 0.18 -0.25 0.02 0.00 0.00 175.26 174.07 1g4f n ASP 53 N 2.72 -2.34 -3.79 -0.19 8.00 -1.26 -2.20 116.55 117.49 1g4f n ASP 53 Ca 0.15 0.83 -0.21 0.00 0.71 0.00 0.00 54.79 56.27 1g4f n ASP 53 Cb 0.36 -0.84 -0.08 0.00 -0.02 0.00 0.00 41.12 40.53 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 -1.43 2.21 0.02 2.24 0.00 0.77 -4.81 121.76 120.77 1g4f s ALA 54 Ca 0.57 -1.70 -0.00 0.00 0.00 0.00 0.00 51.96 50.82 1g4f s ALA 54 Cb -0.67 1.16 -0.02 0.00 0.00 0.00 0.00 23.12 23.59 1g4f s ALA 54 CO 0.58 -0.52 -0.03 -1.14 0.00 0.00 0.00 175.76 174.65 1g4f s GLN 55 N -3.65 0.35 0.14 0.00 0.74 -1.26 -2.03 119.66 113.95 1g4f s GLN 55 Ca 0.34 -0.68 0.06 0.00 0.05 0.00 0.00 55.36 55.12 1g4f s GLN 55 Cb 0.03 0.12 -0.04 0.00 1.10 0.00 0.00 33.01 34.22 1g4f s GLN 55 CO 0.20 -0.06 0.04 0.00 -0.55 0.00 0.00 175.29 174.92 1g4f s ILE 57 N -1.56 0.06 -0.68 0.00 1.09 0.12 -0.18 121.20 120.04 1g4f s ILE 57 Ca 0.28 -2.00 -0.06 0.00 -1.10 0.00 0.00 60.65 57.76 1g4f s ILE 57 Cb -0.10 -2.51 -0.23 0.00 -1.06 0.00 0.00 42.46 38.55 1g4f s ILE 57 CO 0.20 0.00 1.47 -0.67 -0.10 0.00 0.00 174.94 175.83 1g4f n ASP 58 N -0.48 -0.98 -0.34 3.58 2.03 -1.25 0.46 116.55 119.56 1g4f n ASP 58 Ca 0.02 -0.36 -0.04 0.00 0.52 0.00 0.00 54.79 54.93 1g4f n ASP 58 Cb 0.65 -0.36 -0.02 0.00 -0.72 0.00 0.00 41.12 40.67 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 3.75 0.37 2.89 0.27 0.00 0.54 -4.84 105.19 108.17 1g4f n GLY 59 Ca 0.46 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.31 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 -1.18 0.35 -0.02 2.61 2.01 0.17 -4.72 115.64 114.86 1g4f s THR 60 Ca 0.00 -0.09 0.02 0.00 0.31 0.00 0.00 61.69 61.93 1g4f s THR 60 Cb 0.00 -0.37 0.01 0.00 0.01 0.00 0.00 72.50 72.15 1g4f s THR 60 CO 0.00 0.15 -0.07 -0.51 -0.69 0.00 0.00 174.62 173.50 1g4f s ILE 61 N 0.53 0.64 -1.11 1.82 2.07 -1.26 0.13 121.20 124.02 1g4f s ILE 61 Ca -0.06 -0.27 -0.08 0.00 -1.41 0.00 0.00 60.65 58.83 1g4f s ILE 61 Cb -0.09 -0.58 0.28 0.00 0.13 0.00 0.00 42.46 42.20 1g4f s ILE 61 CO -0.01 0.21 1.16 -0.62 -1.91 0.00 0.00 174.94 173.77 1g4f n GLU 62 N 3.39 3.64 -1.15 3.50 -0.58 -1.26 -5.02 120.64 123.17 1g4f n GLU 62 Ca -0.19 -4.47 -0.37 0.00 -0.42 0.00 0.00 57.16 51.71 1g4f n GLU 62 Cb 0.54 -2.54 0.04 0.00 -0.57 0.00 0.00 31.44 28.91 1g4f n GLU 62 CO 0.00 0.00 0.00 1.55 -0.48 0.00 0.00 177.13 178.20 1g4f n VAL 63 N 2.48 0.47 -1.78 2.62 3.14 -1.26 -4.77 118.33 119.23 1g4f n VAL 63 Ca 0.24 -0.46 -0.42 0.00 -2.96 0.00 0.00 64.34 60.75 1g4f n VAL 63 Cb 0.38 -0.23 -0.03 0.00 -1.06 0.00 0.00 33.84 32.90 1g4f n VAL 63 CO 0.00 0.00 0.00 -2.84 -6.46 0.00 0.00 176.83 167.53 1g4f s PRO 64 N -1.93 4.15 0.32 1.45 0.02 -1.26 -4.86 135.00 132.88 1g4f s PRO 64 Ca 0.54 2.55 0.08 0.00 0.02 0.00 0.00 61.00 64.18 1g4f s PRO 64 Cb -0.34 -3.09 0.91 0.00 0.02 0.00 0.00 34.50 32.00 1g4f s PRO 64 CO 0.70 -0.72 1.61 0.87 -0.33 0.00 0.00 177.00 179.13 1g4f h LYS 65 N 6.76 0.12 -1.20 5.54 1.79 -1.99 0.92 116.57 128.51 1g4f h LYS 65 Ca -0.43 -0.01 0.35 0.00 -2.18 0.00 0.00 60.65 58.38 1g4f h LYS 65 Cb 1.20 -0.03 -0.09 0.00 -1.58 0.00 0.00 32.23 31.73 1g4f h LYS 65 CO 0.94 0.08 0.80 0.00 -1.08 0.00 0.00 179.45 180.19 1g4f s PHE 67 N -5.27 3.56 -0.36 0.00 5.36 0.32 -5.06 117.98 116.52 1g4f s PHE 67 Ca -0.07 0.75 -0.00 0.00 -0.96 0.00 0.00 56.93 56.65 1g4f s PHE 67 Cb 0.26 -2.14 0.13 0.00 -0.34 0.00 0.00 43.02 40.94 1g4f s PHE 67 CO 0.81 0.49 0.20 0.21 -1.46 0.00 0.00 175.22 175.48 1g4f s LYS 68 N -2.07 0.63 -0.95 10.12 2.20 -1.26 -4.74 119.74 123.67 1g4f s LYS 68 Ca 0.35 -1.34 -0.25 0.00 -0.36 0.00 0.00 55.97 54.37 1g4f s LYS 68 Cb -0.13 -1.47 -0.13 0.00 -1.51 0.00 0.00 37.83 34.58 1g4f s LYS 68 CO 0.19 -1.17 2.16 -1.83 -0.36 0.00 0.00 175.35 174.33 1g4f s GLU 69 N 1.09 1.84 -0.17 4.03 -1.05 -1.26 -4.63 118.70 118.55 1g4f s GLU 69 Ca 0.17 -0.18 -0.05 0.00 -0.15 0.00 0.00 54.97 54.76 1g4f s GLU 69 Cb -0.22 -4.97 -0.23 0.00 -0.44 0.00 0.00 34.13 28.27 1g4f s GLU 69 CO -0.04 -4.41 0.16 1.58 0.95 0.00 0.00 175.26 173.49 1g4f n HIS 70 N 17.22 0.83 -3.11 4.83 -0.00 -1.26 -5.06 115.22 128.68 1g4f n HIS 70 Ca 0.44 0.18 0.00 0.00 0.46 0.00 0.00 57.72 58.80 1g4f n HIS 70 Cb 0.45 -1.11 0.00 0.00 -0.12 0.00 0.00 29.99 29.22 1g4f n HIS 70 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 1g4f n SER 71 N -3.46 0.00 -0.01 0.26 7.64 -1.26 -5.11 113.62 111.68 1g4f n SER 71 Ca -0.37 -1.00 -0.01 0.00 1.01 0.00 0.00 58.87 58.51 1g4f n SER 71 Cb 1.01 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 64.21 1g4f n SER 71 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1g4f h SER 72 N 0.00 0.00 -3.67 6.43 4.64 -1.98 -3.45 113.55 115.52 1g4f h SER 72 Ca 0.00 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.70 1g4f h SER 72 Cb 0.00 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 61.69 1g4f h SER 72 CO 0.00 0.14 -0.70 -0.76 -0.87 0.00 0.00 176.83 174.64 1g4f s LEU 73 N -5.18 3.30 -0.02 5.97 1.02 -1.26 -4.97 118.68 117.54 1g4f s LEU 73 Ca -0.02 -2.87 -0.20 0.00 0.02 0.00 0.00 54.13 51.06 1g4f s LEU 73 Cb 0.00 -1.24 -0.12 0.00 0.02 0.00 0.00 46.19 44.86 1g4f s LEU 73 CO 0.03 -0.24 0.86 0.00 0.02 0.00 0.00 176.35 177.03 1g4f h ALA 74 N 6.50 -0.65 -3.00 4.21 0.00 -2.01 -3.49 119.26 120.82 1g4f h ALA 74 Ca -0.01 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1g4f h ALA 74 Cb 0.90 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1g4f h ALA 74 CO 0.56 -0.62 0.00 0.34 0.00 0.00 0.00 179.25 179.52 1g4f n PHE 75 N -5.21 0.00 -3.59 0.00 -0.00 -1.26 -5.13 117.46 102.27 1g4f n PHE 75 Ca -0.09 0.00 -0.38 0.00 -0.00 0.00 0.00 57.45 56.98 1g4f n PHE 75 Cb 0.28 0.00 -0.11 0.00 -0.00 0.00 0.00 39.48 39.65 1g4f n PHE 75 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.76 175.18 1g4f s TRP 76 N -1.84 3.22 0.00 -5.13 0.52 -1.26 -4.84 118.94 109.60 1g4f s TRP 76 Ca 0.00 0.08 0.00 0.00 0.02 0.00 0.00 56.10 56.20 1g4f s TRP 76 Cb 0.00 -2.39 0.00 0.00 -1.15 0.00 0.00 33.47 29.93 1g4f s TRP 76 CO 0.00 -0.18 0.00 1.17 0.02 0.00 0.00 176.95 177.96 1g4f n LYS 77 N 5.06 0.00 -3.09 4.98 4.81 -1.26 -5.10 118.16 123.56 1g4f n LYS 77 Ca -0.14 0.00 -0.07 0.00 -0.87 0.00 0.00 58.31 57.23 1g4f n LYS 77 Cb 0.52 -0.38 0.01 0.00 0.02 0.00 0.00 35.03 35.19 1g4f n LYS 77 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1g4f n THR 78 N -1.16 -5.74 -0.73 3.15 -1.04 -1.26 -4.99 114.28 102.50 1g4f n THR 78 Ca 0.00 0.83 0.00 0.00 -2.04 0.00 0.00 64.05 62.84 1g4f n THR 78 Cb 0.00 -4.49 0.00 0.00 -1.82 0.00 0.00 70.33 64.02 1g4f n THR 78 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1g4f n ASP 79 N 0.78 0.00 -0.52 8.00 5.75 -1.26 -4.78 116.55 124.52 1g4f n ASP 79 Ca -0.00 0.00 0.43 0.00 -0.01 0.00 0.00 54.79 55.21 1g4f n ASP 79 Cb 0.39 0.00 0.67 0.00 -1.03 0.00 0.00 41.12 41.15 1g4f n ASP 79 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1g4f n ALA 80 N -3.00 1.54 -0.30 2.12 0.00 -1.26 -0.91 120.51 118.70 1g4f n ALA 80 Ca 0.00 0.53 0.33 0.00 0.00 0.00 0.00 53.44 54.30 1g4f n ALA 80 Cb 0.00 -0.92 0.53 0.00 0.00 0.00 0.00 19.45 19.05 1g4f n ALA 80 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1g4f h SER 81 N 0.00 0.00 0.00 0.00 0.87 -1.88 0.13 113.55 112.67 1g4f h SER 81 Ca 0.76 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 61.18 1g4f h SER 81 Cb 3.40 0.00 -0.31 0.00 -0.44 0.00 0.00 62.40 65.05 1g4f h SER 81 CO -0.01 0.00 -0.93 0.47 -0.53 0.00 0.00 176.83 175.83 1g4f n ASP 82 N -3.41 0.99 -4.85 6.23 9.92 -0.09 -5.09 116.55 120.26 1g4f n ASP 82 Ca 0.27 -2.19 -0.29 0.00 -0.53 0.00 0.00 54.79 52.05 1g4f n ASP 82 Cb 1.59 -0.31 -0.05 0.00 -0.64 0.00 0.00 41.12 41.71 1g4f n ASP 82 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1g4f s VAL 83 N -0.33 4.90 0.05 2.53 1.01 0.45 -5.06 120.40 123.94 1g4f s VAL 83 Ca 0.31 -0.70 -0.29 0.00 0.00 0.00 0.00 61.98 61.30 1g4f s VAL 83 Cb 0.35 -3.42 -0.04 0.00 0.00 0.00 0.00 36.38 33.27 1g4f s VAL 83 CO -0.14 0.05 0.95 -0.54 0.00 0.00 0.00 175.10 175.42 1g4f s LYS 84 N -2.69 4.61 0.52 2.72 1.02 -1.26 -4.70 119.74 119.96 1g4f s LYS 84 Ca 0.32 1.39 -0.22 0.00 0.02 0.00 0.00 55.97 57.48 1g4f s LYS 84 Cb -0.12 -3.42 -0.06 0.00 -0.52 0.00 0.00 37.83 33.72 1g4f s LYS 84 CO 0.25 0.09 1.35 -1.25 -0.92 0.00 0.00 175.35 174.87 1g4f s PRO 85 N 0.49 3.30 0.00 -1.68 0.05 -1.26 -1.66 135.00 134.24 1g4f s PRO 85 Ca 0.48 2.22 0.00 0.00 0.05 0.00 0.00 61.00 63.75 1g4f s PRO 85 Cb -0.22 -2.34 0.00 0.00 0.05 0.00 0.00 34.50 31.99 1g4f s PRO 85 CO 0.28 -1.06 0.32 0.00 0.05 0.00 0.00 177.00 176.60