#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 0.47 -2.49 -2.82 2.85 -1.26 -4.99 118.16 109.91 1g4f n LYS 2 Ca 0.00 -0.74 -0.42 0.00 -1.05 0.00 0.00 58.31 56.10 1g4f n LYS 2 Cb 0.00 0.06 -0.03 0.00 -0.65 0.00 0.00 35.03 34.42 1g4f n LYS 2 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1g4f s ALA 3 N 0.06 3.48 1.11 0.58 0.00 -1.26 -4.54 121.76 121.19 1g4f s ALA 3 Ca 0.06 0.59 -0.16 0.00 0.00 0.00 0.00 51.96 52.45 1g4f s ALA 3 Cb 0.15 -3.50 0.22 0.00 0.00 0.00 0.00 23.12 19.99 1g4f s ALA 3 CO -0.04 -0.73 0.47 0.45 0.00 0.00 0.00 175.76 175.91 1g4f n SER 4 N 5.15 -3.24 0.00 0.00 2.88 -1.26 0.00 113.62 117.15 1g4f n SER 4 Ca 0.11 -0.49 0.00 0.00 -1.33 0.00 0.00 58.87 57.15 1g4f n SER 4 Cb 0.47 -0.83 0.00 0.00 -0.75 0.00 0.00 64.21 63.10 1g4f n SER 4 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1g4f s LYS 6 N 2.90 0.12 -0.91 0.00 2.20 -1.26 -3.25 119.74 119.54 1g4f s LYS 6 Ca 0.00 -0.04 -0.28 0.00 -0.36 0.00 0.00 55.97 55.29 1g4f s LYS 6 Cb 0.00 -1.52 -0.20 0.00 -1.51 0.00 0.00 37.83 34.60 1g4f s LYS 6 CO 0.00 -0.72 2.45 1.47 -0.36 0.00 0.00 175.35 178.19 1g4f n LEU 7 N 5.29 0.23 0.15 5.43 -0.00 -1.26 -4.71 117.00 122.13 1g4f n LEU 7 Ca -0.06 0.15 0.06 0.00 -0.00 0.00 0.00 56.01 56.16 1g4f n LEU 7 Cb 0.48 -0.83 0.54 0.00 -0.00 0.00 0.00 43.42 43.62 1g4f n LEU 7 CO 0.08 -0.67 1.09 -0.65 -0.00 0.00 0.00 177.39 177.25 1g4f h PRO 8 N 10.90 0.22 -5.88 1.47 0.10 -1.99 -3.43 132.00 133.38 1g4f h PRO 8 Ca -0.04 -0.02 -0.58 0.00 0.10 0.00 0.00 66.00 65.47 1g4f h PRO 8 Cb 1.19 -0.05 -0.06 0.00 0.10 0.00 0.00 31.00 32.18 1g4f h PRO 8 CO 1.27 0.16 -0.38 0.08 0.10 0.00 0.00 178.00 179.23 1g4f s VAL 9 N -5.21 1.91 -0.47 3.15 1.01 -1.26 -5.04 120.40 114.48 1g4f s VAL 9 Ca -0.06 -1.57 0.21 0.00 0.00 0.00 0.00 61.98 60.55 1g4f s VAL 9 Cb 0.17 -2.48 -0.28 0.00 0.00 0.00 0.00 36.38 33.80 1g4f s VAL 9 CO 0.70 0.00 0.65 0.29 0.00 0.00 0.00 175.10 176.74 1g4f n LYS 10 N -1.56 0.47 -2.90 2.72 4.76 -1.26 -4.68 118.16 115.71 1g4f n LYS 10 Ca -0.02 -0.10 -0.13 0.00 -2.87 0.00 0.00 58.31 55.19 1g4f n LYS 10 Cb 0.64 -1.48 0.04 0.00 -1.84 0.00 0.00 35.03 32.39 1g4f n LYS 10 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1g4f n LYS 11 N -1.87 0.94 -3.22 1.97 5.02 -1.26 -4.49 118.16 115.24 1g4f n LYS 11 Ca -0.00 -2.41 -0.39 0.00 -2.02 0.00 0.00 58.31 53.49 1g4f n LYS 11 Cb 0.44 -1.30 -0.06 0.00 -0.02 0.00 0.00 35.03 34.09 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 -0.52 3.48 -0.47 7.82 0.00 -1.26 -4.97 121.76 125.83 1g4f s ALA 12 Ca 0.30 -0.21 -0.14 0.00 0.00 0.00 0.00 51.96 51.91 1g4f s ALA 12 Cb 0.28 -2.80 0.08 0.00 0.00 0.00 0.00 23.12 20.69 1g4f s ALA 12 CO -0.10 -0.23 0.39 0.99 0.00 0.00 0.00 175.76 176.81 1g4f s THR 13 N 1.14 5.01 0.56 0.00 2.01 -1.26 -1.81 115.64 121.30 1g4f s THR 13 Ca 0.28 -1.22 0.06 0.00 0.31 0.00 0.00 61.69 61.12 1g4f s THR 13 Cb -0.16 -4.05 0.05 0.00 0.01 0.00 0.00 72.50 68.35 1g4f s THR 13 CO 0.11 -0.62 0.45 0.68 -0.69 0.00 0.00 174.62 174.56 1g4f s VAL 14 N 1.59 1.62 -0.69 3.82 -7.23 -0.61 -4.18 120.40 114.71 1g4f s VAL 14 Ca 0.04 -1.44 0.04 0.00 -1.81 0.00 0.00 61.98 58.81 1g4f s VAL 14 Cb -0.25 -2.06 0.17 0.00 0.56 0.00 0.00 36.38 34.80 1g4f s VAL 14 CO 0.05 0.00 0.48 -0.69 -0.31 0.00 0.00 175.10 174.63 1g4f s VAL 15 N -2.79 2.95 0.11 1.32 1.01 -0.77 -2.00 120.40 120.23 1g4f s VAL 15 Ca 0.36 -4.15 -0.16 0.00 0.00 0.00 0.00 61.98 58.03 1g4f s VAL 15 Cb -0.03 -2.94 -0.07 0.00 0.00 0.00 0.00 36.38 33.35 1g4f s VAL 15 CO 0.22 -0.99 0.54 -0.47 0.00 0.00 0.00 175.10 174.41 1g4f s TYR 16 N -1.32 3.67 -1.66 5.22 5.04 -0.13 -4.03 117.35 124.14 1g4f s TYR 16 Ca 0.24 1.12 -0.15 0.00 -2.44 0.00 0.00 57.07 55.83 1g4f s TYR 16 Cb -0.07 -2.40 0.13 0.00 0.35 0.00 0.00 41.96 39.97 1g4f s TYR 16 CO -0.14 0.49 0.71 1.04 -1.34 0.00 0.00 175.55 176.31 1g4f n GLN 17 N 1.15 -3.11 -3.05 4.97 6.02 -1.26 0.93 117.38 123.02 1g4f n GLN 17 Ca -0.07 0.37 -0.22 0.00 -0.01 0.00 0.00 57.00 57.06 1g4f n GLN 17 Cb 0.52 -4.97 0.03 0.00 1.02 0.00 0.00 30.24 26.83 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 -1.51 -0.52 2.86 1.08 0.00 -1.26 -4.97 105.19 100.86 1g4f n GLY 18 Ca 0.01 0.12 -0.16 0.00 0.00 0.00 0.00 46.02 46.00 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 -5.73 0.24 -0.16 1.61 2.02 0.26 -5.12 118.70 111.83 1g4f s GLU 19 Ca 0.31 0.01 -0.24 0.00 0.02 0.00 0.00 54.97 55.06 1g4f s GLU 19 Cb -0.14 -0.35 -0.02 0.00 0.10 0.00 0.00 34.13 33.72 1g4f s GLU 19 CO 0.38 -0.06 0.79 1.03 0.02 0.00 0.00 175.26 177.43 1g4f s ARG 20 N 0.56 4.30 0.21 1.61 0.52 -1.26 -0.96 118.95 123.93 1g4f s ARG 20 Ca -0.05 0.95 -0.11 0.00 -0.52 0.00 0.00 55.73 55.99 1g4f s ARG 20 Cb -0.08 -3.56 -0.00 0.00 0.52 0.00 0.00 34.95 31.82 1g4f s ARG 20 CO -0.01 -0.27 0.39 0.14 0.02 0.00 0.00 175.30 175.57 1g4f s VAL 21 N 1.96 0.03 -0.33 3.52 -7.23 -0.85 -4.98 120.40 112.52 1g4f s VAL 21 Ca 0.37 -1.35 -0.08 0.00 -1.81 0.00 0.00 61.98 59.11 1g4f s VAL 21 Cb -0.17 -2.00 0.02 0.00 0.56 0.00 0.00 36.38 34.80 1g4f s VAL 21 CO 0.13 -0.13 0.13 -0.75 -0.31 0.00 0.00 175.10 174.18 1g4f s LYS 22 N -3.99 2.89 0.39 4.82 2.47 -1.26 -1.57 119.74 123.49 1g4f s LYS 22 Ca 0.20 -1.01 0.21 0.00 -1.56 0.00 0.00 55.97 53.80 1g4f s LYS 22 Cb 0.01 -3.53 1.20 0.00 -1.46 0.00 0.00 37.83 34.05 1g4f s LYS 22 CO 0.04 -0.59 1.68 0.97 0.16 0.00 0.00 175.35 177.61 1g4f h ILE 23 N 5.94 0.30 -0.24 5.43 2.10 -1.73 0.86 117.51 130.16 1g4f h ILE 23 Ca -0.27 -0.09 0.07 0.00 1.08 0.00 0.00 64.86 65.65 1g4f h ILE 23 Cb 1.11 0.01 -0.01 0.00 -1.09 0.00 0.00 36.82 36.84 1g4f h ILE 23 CO 0.62 0.05 0.59 0.06 -1.08 0.00 0.00 178.15 178.39 1g4f h GLN 24 N 0.26 0.00 0.00 2.19 3.07 -1.80 0.92 115.11 119.76 1g4f h GLN 24 Ca 0.73 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 59.44 1g4f h GLN 24 Cb 1.93 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 29.48 1g4f h GLN 24 CO -0.47 0.00 -0.61 0.39 0.09 0.00 0.00 178.83 178.23 1g4f n GLU 25 N -3.10 0.08 0.19 0.06 -0.58 0.29 -3.95 120.64 113.64 1g4f n GLU 25 Ca 0.04 0.04 0.18 0.00 -0.42 0.00 0.00 57.16 57.00 1g4f n GLU 25 Cb 0.69 -0.65 0.82 0.00 -0.57 0.00 0.00 31.44 31.74 1g4f n GLU 25 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 1g4f h LYS 26 N -0.15 0.00 -0.80 3.49 1.63 -1.17 -2.52 116.57 117.05 1g4f h LYS 26 Ca -0.05 0.00 -0.37 0.00 -0.85 0.00 0.00 60.65 59.38 1g4f h LYS 26 Cb 0.55 0.00 -0.41 0.00 -0.60 0.00 0.00 32.23 31.77 1g4f h LYS 26 CO -0.03 0.00 -1.05 1.19 -3.45 0.00 0.00 179.45 176.12 1g4f n PHE 27 N -3.66 1.74 -0.36 1.91 3.72 0.31 -4.90 117.46 116.23 1g4f n PHE 27 Ca 0.03 -2.48 0.27 0.00 -0.05 0.00 0.00 57.45 55.22 1g4f n PHE 27 Cb 0.41 -0.28 0.56 0.00 -0.94 0.00 0.00 39.48 39.23 1g4f n PHE 27 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1g4f h LYS 28 N 2.66 0.28 -1.88 -1.08 1.57 -1.40 0.11 116.57 116.83 1g4f h LYS 28 Ca 0.01 -0.02 -0.75 0.00 -1.87 0.00 0.00 60.65 58.02 1g4f h LYS 28 Cb 1.24 -0.06 -0.28 0.00 0.08 0.00 0.00 32.23 33.21 1g4f h LYS 28 CO 0.46 0.18 0.99 0.09 -0.57 0.00 0.00 179.45 180.60 1g4f n ASN 29 N -4.66 7.46 -0.17 0.86 5.03 -1.26 -4.93 115.26 117.59 1g4f n ASN 29 Ca 0.29 -3.83 0.02 0.00 0.87 0.00 0.00 54.58 51.94 1g4f n ASN 29 Cb 1.06 -1.04 -0.01 0.00 -1.02 0.00 0.00 39.78 38.78 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 -0.58 -1.53 3.85 7.41 0.00 0.39 -4.81 105.19 109.93 1g4f n GLY 30 Ca 0.54 -1.48 -0.21 0.00 0.00 0.00 0.00 46.02 44.87 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 -1.42 2.78 0.44 1.61 -1.94 -1.20 -4.58 119.30 115.00 1g4f s MET 31 Ca 0.00 -1.23 -0.21 0.00 -1.71 0.00 0.00 55.69 52.54 1g4f s MET 31 Cb 0.00 -2.51 -0.10 0.00 2.01 0.00 0.00 34.83 34.23 1g4f s MET 31 CO 0.00 0.16 0.99 -0.51 -0.01 0.00 0.00 175.02 175.66 1g4f s LEU 32 N -3.97 3.94 0.28 -0.03 1.43 -1.26 0.12 118.68 119.19 1g4f s LEU 32 Ca 0.39 1.82 -0.30 0.00 -1.03 0.00 0.00 54.13 55.01 1g4f s LEU 32 Cb -0.06 -4.49 -0.11 0.00 0.03 0.00 0.00 46.19 41.56 1g4f s LEU 32 CO 0.26 -0.52 1.51 -2.28 0.23 0.00 0.00 176.35 175.55 1g4f s HIS 33 N -2.03 2.87 -0.00 0.29 5.65 -1.26 -1.73 115.29 119.08 1g4f s HIS 33 Ca 0.63 0.95 0.00 0.00 0.25 0.00 0.00 55.06 56.89 1g4f s HIS 33 Cb -0.13 -3.94 0.00 0.00 -1.18 0.00 0.00 32.58 27.33 1g4f s HIS 33 CO 0.17 -3.06 0.00 0.41 -0.65 0.00 0.00 174.74 171.61 1g4f n GLY 34 N 1.99 0.49 3.72 1.59 0.00 -0.51 -4.97 105.19 107.50 1g4f n GLY 34 Ca 0.07 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.05 7.05 -0.19 1.61 2.15 -0.70 -4.65 116.67 119.90 1g4f s ASP 35 Ca 0.00 2.15 -0.06 0.00 0.43 0.00 0.00 52.55 55.06 1g4f s ASP 35 Cb 0.00 -2.59 -0.04 0.00 -0.30 0.00 0.00 42.92 39.99 1g4f s ASP 35 CO 0.00 -0.45 0.04 -0.54 -0.17 0.00 0.00 175.17 174.05 1g4f s LYS 36 N 0.52 3.85 0.01 4.34 1.02 -1.26 -0.34 119.74 127.88 1g4f s LYS 36 Ca 0.57 -0.41 -0.01 0.00 0.02 0.00 0.00 55.97 56.14 1g4f s LYS 36 Cb -0.32 -3.15 -0.01 0.00 -0.52 0.00 0.00 37.83 33.83 1g4f s LYS 36 CO 0.32 0.20 0.01 0.14 -0.92 0.00 0.00 175.35 175.10 1g4f s VAL 37 N 0.55 0.07 -0.02 3.17 -7.23 -0.95 -4.61 120.40 111.38 1g4f s VAL 37 Ca 0.02 -0.56 0.03 0.00 -1.81 0.00 0.00 61.98 59.65 1g4f s VAL 37 Cb -0.13 -0.20 -0.03 0.00 0.56 0.00 0.00 36.38 36.58 1g4f s VAL 37 CO 0.02 -0.31 -0.10 -0.44 -0.31 0.00 0.00 175.10 173.96 1g4f s SER 38 N -0.93 4.38 0.02 4.85 0.01 -1.26 0.26 113.70 121.03 1g4f s SER 38 Ca -0.10 -0.16 -0.02 0.00 1.31 0.00 0.00 55.95 56.98 1g4f s SER 38 Cb -0.06 -0.98 -0.04 0.00 0.21 0.00 0.00 66.02 65.14 1g4f s SER 38 CO -0.00 0.31 0.20 -0.36 0.41 0.00 0.00 173.24 173.80 1g4f s PHE 39 N -0.88 3.54 0.06 2.43 0.40 -1.01 -1.85 117.98 120.66 1g4f s PHE 39 Ca 0.14 0.33 -0.29 0.00 -0.60 0.00 0.00 56.93 56.51 1g4f s PHE 39 Cb -0.11 -1.81 -0.05 0.00 0.51 0.00 0.00 43.02 41.56 1g4f s PHE 39 CO 0.04 0.62 0.92 -0.06 0.70 0.00 0.00 175.22 177.44 1g4f s PHE 40 N -1.40 3.74 0.28 0.36 0.08 -1.26 0.01 117.98 119.80 1g4f s PHE 40 Ca 0.31 1.69 0.03 0.00 0.12 0.00 0.00 56.93 59.08 1g4f s PHE 40 Cb -0.13 -3.02 -0.04 0.00 -0.57 0.00 0.00 43.02 39.26 1g4f s PHE 40 CO 0.22 0.15 0.19 0.00 -0.10 0.00 0.00 175.22 175.68 1g4f s LYS 42 N -3.80 1.36 -0.10 0.00 -2.85 -1.26 -1.71 119.74 111.38 1g4f s LYS 42 Ca 0.38 -1.19 -0.03 0.00 -1.00 0.00 0.00 55.97 54.13 1g4f s LYS 42 Cb 0.05 -1.68 -0.03 0.00 -2.06 0.00 0.00 37.83 34.10 1g4f s LYS 42 CO 0.19 0.41 0.03 1.21 0.10 0.00 0.00 175.35 177.29 1g4f s ASN 43 N -1.76 5.46 -0.13 0.03 3.04 0.69 -4.93 114.94 117.34 1g4f s ASN 43 Ca 0.10 0.19 -0.09 0.00 0.04 0.00 0.00 52.86 53.10 1g4f s ASN 43 Cb -0.10 -1.63 -0.25 0.00 -1.54 0.00 0.00 41.25 37.73 1g4f s ASN 43 CO 0.04 0.36 0.35 1.17 -3.04 0.00 0.00 177.10 175.99 1g4f n LYS 44 N 2.27 0.73 0.07 0.43 4.81 -1.26 -1.48 118.16 123.73 1g4f n LYS 44 Ca -0.19 0.31 0.11 0.00 -0.87 0.00 0.00 58.31 57.68 1g4f n LYS 44 Cb 0.54 -1.72 0.45 0.00 0.02 0.00 0.00 35.03 34.32 1g4f n LYS 44 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1g4f n GLU 45 N -3.63 0.13 -0.00 1.64 2.13 -1.26 -3.40 120.64 116.24 1g4f n GLU 45 Ca -0.32 0.25 0.01 0.00 0.66 0.00 0.00 57.16 57.77 1g4f n GLU 45 Cb 0.99 -1.70 -0.01 0.00 0.27 0.00 0.00 31.44 30.99 1g4f n GLU 45 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1g4f n LYS 46 N -1.94 1.89 -2.33 5.31 5.02 -1.26 -5.01 118.16 119.86 1g4f n LYS 46 Ca 0.04 -0.01 -0.16 0.00 -2.02 0.00 0.00 58.31 56.16 1g4f n LYS 46 Cb 0.28 -0.92 -0.01 0.00 -0.02 0.00 0.00 35.03 34.37 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 -1.42 -1.40 -4.36 1.97 5.02 -0.55 -4.98 118.16 112.44 1g4f n LYS 47 Ca -0.00 0.78 -0.22 0.00 -2.02 0.00 0.00 58.31 56.85 1g4f n LYS 47 Cb 0.05 -5.18 -0.08 0.00 -0.02 0.00 0.00 35.03 29.80 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 -3.46 4.02 0.00 0.00 1.04 -0.88 0.25 113.70 114.67 1g4f s SER 49 Ca 0.35 -1.37 0.00 0.00 0.48 0.00 0.00 55.95 55.41 1g4f s SER 49 Cb 0.02 -0.25 0.00 0.00 0.10 0.00 0.00 66.02 65.89 1g4f s SER 49 CO 0.24 -0.54 0.00 0.00 0.98 0.00 0.00 173.24 173.92 1g4f n TYR 50 N -1.07 -0.71 -4.84 5.02 4.11 -0.69 -1.71 117.16 117.26 1g4f n TYR 50 Ca -0.07 0.00 -0.31 0.00 -0.00 0.00 0.00 57.90 57.53 1g4f n TYR 50 Cb 0.67 0.00 -0.14 0.00 -0.00 0.00 0.00 39.34 39.87 1g4f n TYR 50 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.86 177.81 1g4f s THR 51 N -2.86 2.41 -0.92 -3.48 -4.23 -1.26 -1.79 115.64 103.52 1g4f s THR 51 Ca 0.00 -1.27 -0.03 0.00 -1.18 0.00 0.00 61.69 59.20 1g4f s THR 51 Cb 0.00 -1.96 0.23 0.00 1.34 0.00 0.00 72.50 72.10 1g4f s THR 51 CO 0.00 0.38 0.82 -1.61 -0.54 0.00 0.00 174.62 173.67 1g4f s GLU 52 N -1.26 3.41 0.28 3.99 0.41 0.10 -4.78 118.70 120.86 1g4f s GLU 52 Ca 0.13 -3.22 -0.26 0.00 -0.41 0.00 0.00 54.97 51.21 1g4f s GLU 52 Cb -0.10 -4.06 -0.16 0.00 -1.78 0.00 0.00 34.13 28.03 1g4f s GLU 52 CO 0.03 -1.26 0.47 -0.25 -0.49 0.00 0.00 175.26 173.76 1g4f n ASP 53 N 2.48 -1.35 -4.10 -0.19 9.92 -1.26 -2.40 116.55 119.64 1g4f n ASP 53 Ca 0.21 1.04 -0.17 0.00 -0.53 0.00 0.00 54.79 55.34 1g4f n ASP 53 Cb 0.38 -0.98 -0.10 0.00 -0.64 0.00 0.00 41.12 39.78 1g4f n ASP 53 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1g4f s ALA 54 N -1.21 1.72 -0.00 2.24 0.00 0.72 -4.86 121.76 120.37 1g4f s ALA 54 Ca 0.62 -1.79 0.02 0.00 0.00 0.00 0.00 51.96 50.81 1g4f s ALA 54 Cb -0.81 1.19 -0.01 0.00 0.00 0.00 0.00 23.12 23.49 1g4f s ALA 54 CO 0.58 -0.52 -0.06 -1.14 0.00 0.00 0.00 175.76 174.62 1g4f s GLN 55 N -3.93 0.51 0.14 0.00 0.74 -1.26 -2.25 119.66 113.60 1g4f s GLN 55 Ca 0.37 -0.27 -0.05 0.00 0.05 0.00 0.00 55.36 55.46 1g4f s GLN 55 Cb 0.06 -0.48 -0.06 0.00 1.10 0.00 0.00 33.01 33.63 1g4f s GLN 55 CO 0.16 0.13 0.38 0.00 -0.55 0.00 0.00 175.29 175.41 1g4f s ILE 57 N -1.64 0.18 -0.99 0.00 1.09 0.10 -1.42 121.20 118.52 1g4f s ILE 57 Ca 0.40 -2.00 -0.16 0.00 -1.10 0.00 0.00 60.65 57.79 1g4f s ILE 57 Cb -0.12 -2.54 -0.30 0.00 -1.06 0.00 0.00 42.46 38.44 1g4f s ILE 57 CO 0.24 0.00 2.33 -0.67 -0.10 0.00 0.00 174.94 176.74 1g4f n ASP 58 N -0.48 -0.83 -0.96 3.58 2.03 -1.25 -0.31 116.55 118.34 1g4f n ASP 58 Ca 0.02 -0.33 -0.10 0.00 0.52 0.00 0.00 54.79 54.90 1g4f n ASP 58 Cb 0.66 -0.68 -0.04 0.00 -0.72 0.00 0.00 41.12 40.33 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 5.84 0.93 3.03 0.27 0.00 0.10 -4.85 105.19 110.52 1g4f n GLY 59 Ca 0.67 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.52 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 -1.73 0.64 -0.22 2.61 2.01 0.58 -4.73 115.64 114.80 1g4f s THR 60 Ca 0.00 -0.62 -0.25 0.00 0.31 0.00 0.00 61.69 61.13 1g4f s THR 60 Cb 0.00 -0.59 0.07 0.00 0.01 0.00 0.00 72.50 71.99 1g4f s THR 60 CO 0.00 -0.01 0.69 -0.51 -0.69 0.00 0.00 174.62 174.10 1g4f s ILE 61 N -0.59 0.00 -0.11 1.82 2.07 -1.26 0.00 121.20 123.13 1g4f s ILE 61 Ca -0.01 -0.00 -0.04 0.00 -1.41 0.00 0.00 60.65 59.18 1g4f s ILE 61 Cb -0.05 -0.97 -0.04 0.00 0.13 0.00 0.00 42.46 41.52 1g4f s ILE 61 CO 0.00 -0.00 0.05 -0.70 -1.91 0.00 0.00 174.94 172.38 1g4f s GLU 62 N 0.08 3.30 -0.05 3.50 2.12 -1.26 -5.05 118.70 121.34 1g4f s GLU 62 Ca -0.02 -0.32 -0.14 0.00 0.36 0.00 0.00 54.97 54.86 1g4f s GLU 62 Cb -0.04 -2.98 -0.05 0.00 0.26 0.00 0.00 34.13 31.31 1g4f s GLU 62 CO 0.03 0.65 0.36 0.08 -0.54 0.00 0.00 175.26 175.83 1g4f s VAL 63 N -0.70 5.15 0.02 3.70 1.01 -1.26 -4.76 120.40 123.56 1g4f s VAL 63 Ca 0.12 0.72 -0.30 0.00 0.00 0.00 0.00 61.98 62.52 1g4f s VAL 63 Cb -0.12 -3.67 -0.08 0.00 0.00 0.00 0.00 36.38 32.52 1g4f s VAL 63 CO 0.02 0.53 1.84 -2.84 0.00 0.00 0.00 175.10 174.66 1g4f s PRO 64 N -0.69 4.16 0.46 2.72 0.02 -1.26 -4.85 135.00 135.56 1g4f s PRO 64 Ca 0.22 2.46 0.28 0.00 0.02 0.00 0.00 61.00 63.97 1g4f s PRO 64 Cb -0.15 -4.03 1.33 0.00 0.02 0.00 0.00 34.50 31.67 1g4f s PRO 64 CO 0.10 -0.90 1.74 0.87 -0.33 0.00 0.00 177.00 178.49 1g4f h LYS 65 N 9.98 0.19 -0.93 5.54 6.56 -2.00 0.33 116.57 136.23 1g4f h LYS 65 Ca -0.46 -0.01 0.16 0.00 -1.06 0.00 0.00 60.65 59.28 1g4f h LYS 65 Cb 1.21 -0.04 -0.08 0.00 -0.57 0.00 0.00 32.23 32.75 1g4f h LYS 65 CO 0.94 0.12 0.60 0.00 -2.06 0.00 0.00 179.45 179.05 1g4f s PHE 67 N -5.70 3.06 -0.42 0.00 5.36 0.12 -4.89 117.98 115.49 1g4f s PHE 67 Ca -0.10 1.10 0.02 0.00 -0.96 0.00 0.00 56.93 56.99 1g4f s PHE 67 Cb 0.23 -3.48 0.13 0.00 -0.34 0.00 0.00 43.02 39.55 1g4f s PHE 67 CO 0.79 -1.60 0.21 0.15 -1.46 0.00 0.00 175.22 173.31 1g4f s LYS 68 N 2.51 1.29 -0.13 10.12 1.02 -1.26 -4.90 119.74 128.39 1g4f s LYS 68 Ca 0.57 -1.93 -0.39 0.00 0.02 0.00 0.00 55.97 54.24 1g4f s LYS 68 Cb -0.25 -2.45 -0.16 0.00 -0.52 0.00 0.00 37.83 34.45 1g4f s LYS 68 CO 0.21 -1.12 1.57 -1.91 -0.92 0.00 0.00 175.35 173.19 1g4f n GLU 69 N 3.73 1.12 -4.05 1.68 2.13 -1.26 -4.94 120.64 119.05 1g4f n GLU 69 Ca 0.06 0.41 -0.20 0.00 0.66 0.00 0.00 57.16 58.09 1g4f n GLU 69 Cb 0.36 -2.07 -0.17 0.00 0.27 0.00 0.00 31.44 29.83 1g4f n GLU 69 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 1g4f s HIS 70 N 2.27 0.70 0.00 4.31 2.46 -1.26 -5.15 115.29 118.63 1g4f s HIS 70 Ca 0.93 -0.19 0.00 0.00 0.47 0.00 0.00 55.06 56.27 1g4f s HIS 70 Cb -1.03 -0.68 0.00 0.00 -0.13 0.00 0.00 32.58 30.73 1g4f s HIS 70 CO 0.58 -0.22 0.00 0.43 -2.47 0.00 0.00 174.74 173.06 1g4f n SER 71 N 4.31 -0.11 0.07 9.88 7.64 -1.26 -4.96 113.62 129.19 1g4f n SER 71 Ca -0.21 -0.52 0.12 0.00 1.01 0.00 0.00 58.87 59.27 1g4f n SER 71 Cb 0.51 0.00 0.15 0.00 -1.01 0.00 0.00 64.21 63.86 1g4f n SER 71 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1g4f h SER 72 N -0.11 0.00 0.08 6.43 0.02 -2.01 -3.32 113.55 114.64 1g4f h SER 72 Ca 0.00 -0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 60.76 1g4f h SER 72 Cb 0.00 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 1g4f h SER 72 CO 0.00 0.09 -0.05 -0.07 -1.14 0.00 0.00 176.83 175.66 1g4f h LEU 73 N 0.00 0.00 -0.16 5.07 3.38 -1.96 0.09 115.31 121.74 1g4f h LEU 73 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1g4f h LEU 73 Cb 0.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1g4f h LEU 73 CO 0.00 0.05 0.00 0.00 0.09 0.00 0.00 178.44 178.58 1g4f n ALA 74 N -2.42 1.61 -2.28 1.53 0.00 -1.25 -4.91 120.51 112.79 1g4f n ALA 74 Ca -0.03 -0.02 -0.03 0.00 0.00 0.00 0.00 53.44 53.37 1g4f n ALA 74 Cb 0.13 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.34 1g4f n ALA 74 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1g4f n PHE 75 N -1.65 -1.82 -3.65 0.00 7.35 0.02 -5.08 117.46 112.63 1g4f n PHE 75 Ca 0.03 0.72 -0.06 0.00 -0.76 0.00 0.00 57.45 57.38 1g4f n PHE 75 Cb 0.17 -2.92 -0.02 0.00 0.35 0.00 0.00 39.48 37.06 1g4f n PHE 75 CO 0.00 0.00 0.00 -0.46 -0.76 0.00 0.00 176.76 175.54 1g4f s TRP 76 N -2.27 -0.24 0.17 -5.13 -0.11 -1.26 -5.14 118.94 104.97 1g4f s TRP 76 Ca 0.09 -0.02 -0.19 0.00 1.22 0.00 0.00 56.10 57.20 1g4f s TRP 76 Cb -0.03 0.60 0.04 0.00 -1.50 0.00 0.00 33.47 32.59 1g4f s TRP 76 CO 0.42 -0.76 0.52 0.21 -4.62 0.00 0.00 176.95 172.72 1g4f s LYS 77 N -3.31 1.29 -1.22 5.86 2.20 -1.26 -4.92 119.74 118.39 1g4f s LYS 77 Ca 0.09 -0.72 -0.02 0.00 -0.36 0.00 0.00 55.97 54.96 1g4f s LYS 77 Cb -0.02 0.53 0.00 0.00 -1.51 0.00 0.00 37.83 36.84 1g4f s LYS 77 CO -0.02 -0.54 1.03 2.41 -0.36 0.00 0.00 175.35 177.86 1g4f n THR 78 N -0.33 -5.05 -0.49 3.43 -1.04 -1.26 -4.98 114.28 104.56 1g4f n THR 78 Ca -0.13 -0.35 -0.31 0.00 -2.04 0.00 0.00 64.05 61.22 1g4f n THR 78 Cb 0.63 -4.66 0.28 0.00 -1.82 0.00 0.00 70.33 64.76 1g4f n THR 78 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1g4f s ASP 79 N -4.05 -0.94 0.36 8.00 1.11 -1.26 -4.50 116.67 115.39 1g4f s ASP 79 Ca 0.16 0.73 0.17 0.00 0.18 0.00 0.00 52.55 53.79 1g4f s ASP 79 Cb -0.07 -1.00 1.17 0.00 1.07 0.00 0.00 42.92 44.08 1g4f s ASP 79 CO 0.71 -5.27 1.65 0.00 1.18 0.00 0.00 175.17 173.44 1g4f h ALA 80 N -3.36 2.06 0.00 5.23 0.00 -1.85 1.31 119.26 122.66 1g4f h ALA 80 Ca -0.41 0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1g4f h ALA 80 Cb 1.33 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.31 1g4f h ALA 80 CO 0.26 -0.71 0.12 0.43 0.00 0.00 0.00 179.25 179.35 1g4f n SER 81 N -5.06 0.39 -1.31 0.00 7.64 -1.26 -1.47 113.62 112.56 1g4f n SER 81 Ca 0.33 0.64 -0.01 0.00 1.01 0.00 0.00 58.87 60.84 1g4f n SER 81 Cb 1.07 -0.65 0.11 0.00 -1.01 0.00 0.00 64.21 63.74 1g4f n SER 81 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1g4f n ASP 82 N -2.05 2.17 -4.57 6.43 8.00 0.45 -5.04 116.55 121.94 1g4f n ASP 82 Ca -0.01 -3.25 -0.24 0.00 0.71 0.00 0.00 54.79 52.00 1g4f n ASP 82 Cb 0.14 -0.43 -0.09 0.00 -0.02 0.00 0.00 41.12 40.72 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 -2.81 2.92 0.17 2.53 1.01 -0.54 -4.80 120.40 118.88 1g4f s VAL 83 Ca 0.39 -2.12 -0.13 0.00 0.00 0.00 0.00 61.98 60.11 1g4f s VAL 83 Cb 0.38 -2.62 -0.07 0.00 0.00 0.00 0.00 36.38 34.06 1g4f s VAL 83 CO -0.07 -0.35 0.56 -0.54 0.00 0.00 0.00 175.10 174.70 1g4f s LYS 84 N -3.62 3.95 0.31 2.72 1.02 -1.26 -4.84 119.74 118.03 1g4f s LYS 84 Ca 0.31 0.46 -0.29 0.00 0.02 0.00 0.00 55.97 56.47 1g4f s LYS 84 Cb -0.05 -2.86 -0.11 0.00 -0.52 0.00 0.00 37.83 34.30 1g4f s LYS 84 CO 0.18 0.43 1.45 -1.25 -0.92 0.00 0.00 175.35 175.24 1g4f s PRO 85 N -2.16 4.22 0.00 -1.68 0.05 -1.26 -2.06 135.00 132.10 1g4f s PRO 85 Ca 0.40 2.41 0.00 0.00 0.05 0.00 0.00 61.00 63.86 1g4f s PRO 85 Cb -0.14 -3.04 0.00 0.00 0.05 0.00 0.00 34.50 31.36 1g4f s PRO 85 CO 0.20 -0.43 0.18 0.00 0.05 0.00 0.00 177.00 177.00