#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g4f s LYS 2 N 0.00 0.71 0.32 -0.78 -2.85 -1.26 -4.93 119.74 110.95 1g4f s LYS 2 Ca 0.00 -1.51 -0.23 0.00 -1.00 0.00 0.00 55.97 53.24 1g4f s LYS 2 Cb 0.00 -1.17 -0.10 0.00 -2.06 0.00 0.00 37.83 34.50 1g4f s LYS 2 CO 0.00 -1.28 0.88 0.00 0.10 0.00 0.00 175.35 175.06 1g4f s ALA 3 N 0.77 3.23 1.00 0.59 0.00 -1.26 -4.62 121.76 121.46 1g4f s ALA 3 Ca 0.24 0.38 0.00 0.00 0.00 0.00 0.00 51.96 52.58 1g4f s ALA 3 Cb -0.11 -3.07 0.00 0.00 0.00 0.00 0.00 23.12 19.94 1g4f s ALA 3 CO -0.07 0.21 0.00 -1.13 0.00 0.00 0.00 175.76 174.77 1g4f n SER 4 N 0.27 -0.13 -0.98 0.00 3.41 -1.26 -2.16 113.62 112.77 1g4f n SER 4 Ca 0.02 -0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 1g4f n SER 4 Cb 0.51 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 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 -0.33 0.94 -0.90 0.00 3.01 -1.26 -3.29 119.74 117.90 1g4f s LYS 6 Ca 0.00 -0.74 -0.27 0.00 -1.01 0.00 0.00 55.97 53.95 1g4f s LYS 6 Cb 0.00 -2.23 -0.20 0.00 -1.01 0.00 0.00 37.83 34.39 1g4f s LYS 6 CO 0.00 -0.71 2.42 1.47 0.51 0.00 0.00 175.35 179.04 1g4f n LEU 7 N 4.89 0.20 0.27 3.17 -0.00 -1.26 -4.70 117.00 119.57 1g4f n LEU 7 Ca -0.08 0.14 0.11 0.00 -0.00 0.00 0.00 56.01 56.18 1g4f n LEU 7 Cb 0.45 -0.82 0.74 0.00 -0.00 0.00 0.00 43.42 43.79 1g4f n LEU 7 CO 0.14 -0.67 1.05 -0.65 -0.00 0.00 0.00 177.39 177.26 1g4f h PRO 8 N 10.79 0.00 -5.42 1.47 0.11 -1.98 -3.43 132.00 133.54 1g4f h PRO 8 Ca -0.04 0.00 -0.42 0.00 0.11 0.00 0.00 66.00 65.65 1g4f h PRO 8 Cb 1.18 0.00 -0.18 0.00 0.11 0.00 0.00 31.00 32.11 1g4f h PRO 8 CO 1.26 0.05 -0.76 0.08 -0.21 0.00 0.00 178.00 178.42 1g4f s VAL 9 N -4.71 1.35 -2.21 3.15 1.01 -1.26 -5.03 120.40 112.70 1g4f s VAL 9 Ca -0.05 -1.75 0.20 0.00 0.00 0.00 0.00 61.98 60.38 1g4f s VAL 9 Cb 0.16 -1.56 0.46 0.00 0.00 0.00 0.00 36.38 35.43 1g4f s VAL 9 CO 0.62 -0.43 1.44 1.17 0.00 0.00 0.00 175.10 177.89 1g4f n LYS 10 N 0.48 2.21 -2.65 2.72 3.00 -1.26 -4.36 118.16 118.29 1g4f n LYS 10 Ca -0.15 -1.86 -0.02 0.00 -0.00 0.00 0.00 58.31 56.28 1g4f n LYS 10 Cb 0.57 -1.44 0.13 0.00 0.00 0.00 0.00 35.03 34.29 1g4f n LYS 10 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 1g4f n LYS 11 N 1.03 1.35 -3.26 1.64 2.85 -1.26 -4.48 118.16 116.03 1g4f n LYS 11 Ca 0.18 -1.20 -0.39 0.00 -1.05 0.00 0.00 58.31 55.85 1g4f n LYS 11 Cb 0.47 0.41 -0.06 0.00 -0.65 0.00 0.00 35.03 35.21 1g4f n LYS 11 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1g4f s ALA 12 N 0.13 3.50 -0.47 0.58 0.00 -1.26 -4.94 121.76 119.30 1g4f s ALA 12 Ca 0.09 -0.05 -0.15 0.00 0.00 0.00 0.00 51.96 51.85 1g4f s ALA 12 Cb 0.44 -2.69 0.07 0.00 0.00 0.00 0.00 23.12 20.95 1g4f s ALA 12 CO -0.13 0.16 0.40 0.99 0.00 0.00 0.00 175.76 177.18 1g4f s THR 13 N -0.08 5.23 0.32 0.00 2.01 -1.26 -0.78 115.64 121.08 1g4f s THR 13 Ca 0.29 -1.08 0.07 0.00 0.31 0.00 0.00 61.69 61.28 1g4f s THR 13 Cb -0.17 -4.13 -0.02 0.00 0.01 0.00 0.00 72.50 68.18 1g4f s THR 13 CO 0.15 -0.59 0.33 0.68 -0.69 0.00 0.00 174.62 174.50 1g4f s VAL 14 N 1.64 3.93 -0.36 3.82 -7.23 -0.15 -4.19 120.40 117.85 1g4f s VAL 14 Ca 0.04 -1.26 -0.06 0.00 -1.81 0.00 0.00 61.98 58.89 1g4f s VAL 14 Cb -0.24 -3.32 0.06 0.00 0.56 0.00 0.00 36.38 33.43 1g4f s VAL 14 CO 0.06 -0.21 0.15 -0.69 -0.31 0.00 0.00 175.10 174.10 1g4f s VAL 15 N -2.22 3.80 0.00 1.32 1.01 0.41 -1.97 120.40 122.75 1g4f s VAL 15 Ca 0.40 -1.31 0.00 0.00 0.00 0.00 0.00 61.98 61.07 1g4f s VAL 15 Cb -0.07 -3.24 0.00 0.00 0.00 0.00 0.00 36.38 33.07 1g4f s VAL 15 CO 0.28 -0.31 0.00 0.00 0.00 0.00 0.00 175.10 175.07 1g4f n TYR 16 N 4.80 0.00 -0.62 5.22 9.36 0.31 -2.33 117.16 133.90 1g4f n TYR 16 Ca -0.11 0.00 -0.33 0.00 3.32 0.00 0.00 57.90 60.78 1g4f n TYR 16 Cb 0.44 0.00 -0.07 0.00 -0.63 0.00 0.00 39.34 39.08 1g4f n TYR 16 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 1g4f n GLN 17 N 0.00 0.70 -1.57 2.98 1.13 -1.26 -3.56 117.38 115.80 1g4f n GLN 17 Ca 0.00 -1.21 -0.07 0.00 -1.94 0.00 0.00 57.00 53.78 1g4f n GLN 17 Cb 0.00 -2.52 -0.02 0.00 0.11 0.00 0.00 30.24 27.81 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 4.51 0.59 2.90 1.08 0.00 -1.26 -5.01 105.19 107.99 1g4f n GLY 18 Ca 0.38 -0.68 -0.23 0.00 0.00 0.00 0.00 46.02 45.50 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 -3.29 1.09 0.08 1.61 0.41 -1.23 -5.13 118.70 112.24 1g4f s GLU 19 Ca 0.00 -0.15 -0.24 0.00 -0.41 0.00 0.00 54.97 54.17 1g4f s GLU 19 Cb 0.00 -1.13 -0.06 0.00 -1.78 0.00 0.00 34.13 31.16 1g4f s GLU 19 CO 0.00 -0.14 0.71 1.03 -0.49 0.00 0.00 175.26 176.37 1g4f s ARG 20 N 1.24 4.45 0.19 1.61 0.52 -1.26 -0.53 118.95 125.17 1g4f s ARG 20 Ca -0.05 0.99 -0.23 0.00 -0.52 0.00 0.00 55.73 55.93 1g4f s ARG 20 Cb -0.14 -3.31 0.05 0.00 0.52 0.00 0.00 34.95 32.08 1g4f s ARG 20 CO -0.02 0.44 0.65 0.14 0.02 0.00 0.00 175.30 176.53 1g4f s VAL 21 N -0.58 0.00 -0.29 3.52 -7.23 -0.83 -4.97 120.40 110.02 1g4f s VAL 21 Ca 0.35 -0.33 -0.12 0.00 -1.81 0.00 0.00 61.98 60.08 1g4f s VAL 21 Cb -0.21 -1.33 -0.04 0.00 0.56 0.00 0.00 36.38 35.36 1g4f s VAL 21 CO 0.22 0.00 0.21 -0.75 -0.31 0.00 0.00 175.10 174.48 1g4f s LYS 22 N -3.78 3.88 0.54 4.82 2.47 -1.26 -0.98 119.74 125.42 1g4f s LYS 22 Ca 0.04 -0.35 0.36 0.00 -1.56 0.00 0.00 55.97 54.46 1g4f s LYS 22 Cb -0.03 -3.69 1.54 0.00 -1.46 0.00 0.00 37.83 34.19 1g4f s LYS 22 CO -0.06 -0.23 1.81 0.97 0.16 0.00 0.00 175.35 177.99 1g4f h ILE 23 N 5.39 0.42 -0.26 5.43 2.10 -1.30 0.14 117.51 129.43 1g4f h ILE 23 Ca -0.34 -0.00 0.07 0.00 1.08 0.00 0.00 64.86 65.67 1g4f h ILE 23 Cb 1.18 0.40 -0.01 0.00 -1.09 0.00 0.00 36.82 37.31 1g4f h ILE 23 CO 0.57 0.00 0.63 0.06 -1.08 0.00 0.00 178.15 178.33 1g4f h GLN 24 N 0.01 0.00 0.00 2.19 3.07 -1.78 -2.07 115.11 116.53 1g4f h GLN 24 Ca 0.56 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.30 1g4f h GLN 24 Cb 2.21 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.77 1g4f h GLN 24 CO -0.02 0.00 -0.44 0.39 0.09 0.00 0.00 178.83 178.86 1g4f n GLU 25 N -3.07 0.00 -0.52 0.06 1.02 0.44 -3.82 120.64 114.76 1g4f n GLU 25 Ca 0.04 0.00 0.43 0.00 -0.02 0.00 0.00 57.16 57.62 1g4f n GLU 25 Cb 0.74 -0.44 0.76 0.00 -0.02 0.00 0.00 31.44 32.48 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 0.00 0.03 -0.37 3.49 1.63 -1.44 -1.27 116.57 118.64 1g4f h LYS 26 Ca 0.00 -0.00 -0.23 0.00 -0.85 0.00 0.00 60.65 59.57 1g4f h LYS 26 Cb 0.44 -0.01 -0.40 0.00 -0.60 0.00 0.00 32.23 31.67 1g4f h LYS 26 CO 0.00 0.02 -1.10 1.19 -3.45 0.00 0.00 179.45 176.11 1g4f n PHE 27 N -4.16 1.06 -0.53 1.91 3.72 -0.79 -4.90 117.46 113.78 1g4f n PHE 27 Ca 0.36 -1.93 0.45 0.00 -0.05 0.00 0.00 57.45 56.27 1g4f n PHE 27 Cb 1.61 -0.20 0.74 0.00 -0.94 0.00 0.00 39.48 40.69 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 2.39 0.00 -0.80 -1.08 -0.00 -1.15 1.37 116.57 117.31 1g4f h LYS 28 Ca -0.16 0.00 -0.52 0.00 -0.00 0.00 0.00 60.65 59.97 1g4f h LYS 28 Cb 1.35 0.00 -0.29 0.00 -0.00 0.00 0.00 32.23 33.28 1g4f h LYS 28 CO 0.16 0.00 0.19 0.09 -0.00 0.00 0.00 179.45 179.90 1g4f n ASN 29 N -3.83 5.36 0.00 7.07 3.02 -1.26 -4.89 115.26 120.73 1g4f n ASN 29 Ca 0.36 -3.76 0.00 0.00 -0.03 0.00 0.00 54.58 51.15 1g4f n ASN 29 Cb 1.76 -0.72 0.00 0.00 -0.61 0.00 0.00 39.78 40.21 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 -0.94 -0.30 3.92 7.41 0.00 0.47 -4.79 105.19 110.96 1g4f n GLY 30 Ca 0.51 -1.72 -0.31 0.00 0.00 0.00 0.00 46.02 44.51 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 -2.35 3.45 0.66 1.61 -1.94 -1.21 -4.56 119.30 114.95 1g4f s MET 31 Ca 0.00 -0.44 -0.16 0.00 -1.71 0.00 0.00 55.69 53.38 1g4f s MET 31 Cb 0.00 -3.02 -0.00 0.00 2.01 0.00 0.00 34.83 33.82 1g4f s MET 31 CO 0.00 0.59 1.15 -0.51 -0.01 0.00 0.00 175.02 176.24 1g4f s LEU 32 N -2.59 3.44 0.33 -0.03 1.43 -1.26 0.25 118.68 120.24 1g4f s LEU 32 Ca 0.35 2.15 -0.29 0.00 -1.03 0.00 0.00 54.13 55.31 1g4f s LEU 32 Cb -0.13 -4.57 -0.11 0.00 0.03 0.00 0.00 46.19 41.41 1g4f s LEU 32 CO 0.28 -1.74 1.52 -2.28 0.23 0.00 0.00 176.35 174.35 1g4f s HIS 33 N -2.11 2.71 0.00 0.29 5.65 -1.25 -1.21 115.29 119.36 1g4f s HIS 33 Ca 0.70 1.01 0.00 0.00 0.25 0.00 0.00 55.06 57.03 1g4f s HIS 33 Cb -0.24 -4.01 0.00 0.00 -1.18 0.00 0.00 32.58 27.15 1g4f s HIS 33 CO 0.40 -3.16 0.00 0.41 -0.65 0.00 0.00 174.74 171.74 1g4f n GLY 34 N 1.29 2.51 3.66 1.59 0.00 0.37 -4.95 105.19 109.66 1g4f n GLY 34 Ca 0.04 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 1.34 0.00 0.00 0.00 173.32 174.66 1g4f n ASP 35 N 0.00 4.15 -4.81 1.61 -0.08 -0.35 -4.47 116.55 112.60 1g4f n ASP 35 Ca 0.00 0.88 -0.36 0.00 -1.51 0.00 0.00 54.79 53.80 1g4f n ASP 35 Cb 0.00 -1.53 -0.07 0.00 2.34 0.00 0.00 41.12 41.86 1g4f n ASP 35 CO 0.00 0.00 0.00 -0.75 0.12 0.00 0.00 177.20 176.57 1g4f s LYS 36 N 4.53 3.81 -0.01 -0.67 2.20 -1.26 -0.72 119.74 127.63 1g4f s LYS 36 Ca 0.89 -0.16 -0.01 0.00 -0.36 0.00 0.00 55.97 56.33 1g4f s LYS 36 Cb -0.43 -3.30 -0.00 0.00 -1.51 0.00 0.00 37.83 32.59 1g4f s LYS 36 CO 0.42 0.54 0.02 0.14 -0.36 0.00 0.00 175.35 176.11 1g4f s VAL 37 N -0.35 0.02 -0.11 4.02 -7.23 -0.80 -4.67 120.40 111.28 1g4f s VAL 37 Ca 0.12 -0.14 -0.05 0.00 -1.81 0.00 0.00 61.98 60.09 1g4f s VAL 37 Cb -0.12 -0.08 -0.04 0.00 0.56 0.00 0.00 36.38 36.70 1g4f s VAL 37 CO 0.01 -0.08 0.09 -0.44 -0.31 0.00 0.00 175.10 174.38 1g4f s SER 38 N -0.22 5.99 -0.07 4.85 0.01 -0.98 0.26 113.70 123.54 1g4f s SER 38 Ca -0.03 0.36 -0.05 0.00 1.31 0.00 0.00 55.95 57.54 1g4f s SER 38 Cb -0.02 -1.87 -0.04 0.00 0.21 0.00 0.00 66.02 64.30 1g4f s SER 38 CO -0.00 0.40 0.15 -0.36 0.41 0.00 0.00 173.24 173.84 1g4f s PHE 39 N -0.96 3.56 0.10 2.43 0.40 -1.00 -0.44 117.98 122.07 1g4f s PHE 39 Ca 0.14 0.44 -0.29 0.00 -0.60 0.00 0.00 56.93 56.62 1g4f s PHE 39 Cb -0.12 -1.88 -0.06 0.00 0.51 0.00 0.00 43.02 41.47 1g4f s PHE 39 CO 0.03 0.69 0.93 -0.06 0.70 0.00 0.00 175.22 177.51 1g4f s PHE 40 N -1.15 3.80 0.38 0.36 0.08 -1.26 -0.11 117.98 120.08 1g4f s PHE 40 Ca 0.20 1.75 0.05 0.00 0.12 0.00 0.00 56.93 59.05 1g4f s PHE 40 Cb -0.12 -3.02 -0.02 0.00 -0.57 0.00 0.00 43.02 39.29 1g4f s PHE 40 CO 0.10 0.21 0.18 0.00 -0.10 0.00 0.00 175.22 175.62 1g4f s LYS 42 N -3.63 1.36 -0.28 0.00 0.00 -1.26 -1.29 119.74 114.64 1g4f s LYS 42 Ca 0.29 -1.20 0.03 0.00 0.00 0.00 0.00 55.97 55.10 1g4f s LYS 42 Cb 0.02 -1.68 0.07 0.00 0.00 0.00 0.00 37.83 36.24 1g4f s LYS 42 CO 0.19 0.41 -0.07 1.21 0.00 0.00 0.00 175.35 177.09 1g4f s ASN 43 N -1.77 4.54 0.09 0.03 3.04 0.72 -4.92 114.94 116.68 1g4f s ASN 43 Ca 0.10 -1.60 -0.21 0.00 0.04 0.00 0.00 52.86 51.19 1g4f s ASN 43 Cb -0.10 -1.57 -0.10 0.00 -1.54 0.00 0.00 41.25 37.94 1g4f s ASN 43 CO 0.04 -0.24 1.65 0.50 -3.04 0.00 0.00 177.10 176.01 1g4f h LYS 44 N 7.73 0.23 -0.10 0.43 3.64 -1.94 1.72 116.57 128.27 1g4f h LYS 44 Ca -0.15 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.22 1g4f h LYS 44 Cb 1.03 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.79 1g4f h LYS 44 CO 0.48 0.28 -0.06 0.93 -2.27 0.00 0.00 179.45 178.80 1g4f h GLU 45 N 0.12 -0.06 0.00 1.90 3.07 -1.95 -2.07 114.58 115.58 1g4f h GLU 45 Ca 0.05 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.92 1g4f h GLU 45 Cb 0.13 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.05 1g4f h GLU 45 CO -0.01 -0.04 -0.07 0.87 -1.40 0.00 0.00 179.01 178.36 1g4f h LYS 46 N -0.06 0.00 -1.67 2.33 1.57 -1.96 -3.47 116.57 113.31 1g4f h LYS 46 Ca 0.06 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.60 1g4f h LYS 46 Cb 0.15 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 1g4f h LYS 46 CO -0.14 0.00 -0.31 1.63 -0.57 0.00 0.00 179.45 180.06 1g4f n LYS 47 N -2.75 -0.98 -3.95 3.15 5.02 0.58 -4.99 118.16 114.24 1g4f n LYS 47 Ca 0.04 0.63 -0.16 0.00 -2.02 0.00 0.00 58.31 56.80 1g4f n LYS 47 Cb 0.49 -4.80 -0.06 0.00 -0.02 0.00 0.00 35.03 30.65 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 -3.08 4.50 0.33 0.00 1.04 -0.92 0.26 113.70 115.83 1g4f s SER 49 Ca 0.33 -1.11 -0.07 0.00 0.48 0.00 0.00 55.95 55.57 1g4f s SER 49 Cb 0.01 -0.27 0.03 0.00 0.10 0.00 0.00 66.02 65.88 1g4f s SER 49 CO 0.24 -0.67 0.57 0.00 0.98 0.00 0.00 173.24 174.36 1g4f n TYR 50 N -1.36 -1.78 -4.53 5.02 0.18 -0.41 -2.43 117.16 111.85 1g4f n TYR 50 Ca -0.02 -1.87 -0.31 0.00 1.88 0.00 0.00 57.90 57.58 1g4f n TYR 50 Cb 0.64 0.66 -0.12 0.00 -0.38 0.00 0.00 39.34 40.15 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 -2.49 3.15 -0.67 -3.48 -4.23 -1.26 -0.36 115.64 106.30 1g4f s THR 51 Ca 0.20 -1.06 0.03 0.00 -1.18 0.00 0.00 61.69 59.68 1g4f s THR 51 Cb -0.03 -2.37 0.16 0.00 1.34 0.00 0.00 72.50 71.61 1g4f s THR 51 CO 0.15 0.32 0.46 -1.61 -0.54 0.00 0.00 174.62 173.40 1g4f s GLU 52 N -1.54 2.45 0.32 3.99 0.41 0.85 -4.79 118.70 120.39 1g4f s GLU 52 Ca 0.16 -3.04 -0.25 0.00 -0.41 0.00 0.00 54.97 51.43 1g4f s GLU 52 Cb -0.11 -3.51 -0.15 0.00 -1.78 0.00 0.00 34.13 28.58 1g4f s GLU 52 CO 0.07 -1.22 0.43 -0.25 -0.49 0.00 0.00 175.26 173.80 1g4f n ASP 53 N 2.51 -1.46 -3.95 -0.19 9.92 -1.26 -2.37 116.55 119.76 1g4f n ASP 53 Ca 0.14 0.99 -0.22 0.00 -0.53 0.00 0.00 54.79 55.17 1g4f n ASP 53 Cb 0.35 -0.99 -0.09 0.00 -0.64 0.00 0.00 41.12 39.75 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 -1.31 2.40 0.02 2.24 0.00 0.72 -4.84 121.76 120.99 1g4f s ALA 54 Ca 0.62 -1.58 0.02 0.00 0.00 0.00 0.00 51.96 51.01 1g4f s ALA 54 Cb -0.75 1.01 -0.02 0.00 0.00 0.00 0.00 23.12 23.36 1g4f s ALA 54 CO 0.59 -0.45 -0.06 -1.14 0.00 0.00 0.00 175.76 174.69 1g4f s GLN 55 N -3.70 0.47 -0.04 0.00 0.74 -1.26 -1.90 119.66 113.97 1g4f s GLN 55 Ca 0.31 -0.50 -0.02 0.00 0.05 0.00 0.00 55.36 55.20 1g4f s GLN 55 Cb 0.03 -0.33 -0.04 0.00 1.10 0.00 0.00 33.01 33.78 1g4f s GLN 55 CO 0.18 0.07 0.06 0.00 -0.55 0.00 0.00 175.29 175.05 1g4f s ILE 57 N -1.07 0.29 -0.69 0.00 1.09 0.94 0.14 121.20 121.89 1g4f s ILE 57 Ca 0.19 -2.00 -0.15 0.00 -1.10 0.00 0.00 60.65 57.59 1g4f s ILE 57 Cb -0.12 -2.53 -0.18 0.00 -1.06 0.00 0.00 42.46 38.56 1g4f s ILE 57 CO 0.09 0.00 1.70 -0.67 -0.10 0.00 0.00 174.94 175.96 1g4f n ASP 58 N -0.74 -0.29 -1.34 3.58 -0.08 -1.19 0.56 116.55 117.05 1g4f n ASP 58 Ca 0.01 -0.08 -0.08 0.00 -1.51 0.00 0.00 54.79 53.13 1g4f n ASP 58 Cb 0.65 -0.52 -0.03 0.00 2.34 0.00 0.00 41.12 43.56 1g4f n ASP 58 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1g4f n GLY 59 N 4.19 0.66 2.76 0.27 0.00 0.74 -4.84 105.19 108.96 1g4f n GLY 59 Ca 0.46 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.32 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 -1.74 -0.05 -0.00 2.61 2.01 0.19 -4.71 115.64 113.95 1g4f s THR 60 Ca 0.00 0.24 0.01 0.00 0.31 0.00 0.00 61.69 62.25 1g4f s THR 60 Cb 0.00 -0.10 -0.00 0.00 0.01 0.00 0.00 72.50 72.41 1g4f s THR 60 CO 0.00 0.10 -0.03 -0.51 -0.69 0.00 0.00 174.62 173.49 1g4f s ILE 61 N 1.20 0.27 -0.20 1.82 2.07 -1.26 -0.04 121.20 125.05 1g4f s ILE 61 Ca -0.07 -0.14 -0.10 0.00 -1.41 0.00 0.00 60.65 58.93 1g4f s ILE 61 Cb -0.13 -0.24 -0.05 0.00 0.13 0.00 0.00 42.46 42.17 1g4f s ILE 61 CO -0.03 0.08 0.13 -0.70 -1.91 0.00 0.00 174.94 172.51 1g4f s GLU 62 N -0.01 4.15 0.03 3.50 -6.30 -1.26 -5.03 118.70 113.78 1g4f s GLU 62 Ca 0.01 -0.24 -0.16 0.00 -2.50 0.00 0.00 54.97 52.08 1g4f s GLU 62 Cb -0.02 -3.42 -0.06 0.00 0.00 0.00 0.00 34.13 30.63 1g4f s GLU 62 CO -0.00 0.27 0.45 0.08 0.02 0.00 0.00 175.26 176.08 1g4f s VAL 63 N 0.45 4.95 0.16 3.70 1.01 -1.26 -4.59 120.40 124.82 1g4f s VAL 63 Ca 0.07 0.92 -0.31 0.00 0.00 0.00 0.00 61.98 62.66 1g4f s VAL 63 Cb -0.11 -3.76 -0.11 0.00 0.00 0.00 0.00 36.38 32.40 1g4f s VAL 63 CO -0.01 0.55 1.74 -2.84 0.00 0.00 0.00 175.10 174.53 1g4f s PRO 64 N -1.16 4.15 0.65 2.72 0.02 -1.26 -4.82 135.00 135.30 1g4f s PRO 64 Ca 0.26 2.55 0.21 0.00 0.02 0.00 0.00 61.00 64.04 1g4f s PRO 64 Cb -0.17 -3.32 1.11 0.00 0.02 0.00 0.00 34.50 32.13 1g4f s PRO 64 CO 0.15 -0.77 1.62 1.57 -0.33 0.00 0.00 177.00 179.25 1g4f h LYS 65 N 7.60 0.00 -0.21 5.54 2.10 -2.01 0.23 116.57 129.83 1g4f h LYS 65 Ca -0.44 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.18 1g4f h LYS 65 Cb 1.21 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.52 1g4f h LYS 65 CO 0.95 0.00 -0.02 0.00 -2.00 0.00 0.00 179.45 178.38 1g4f s PHE 67 N -4.95 3.46 -0.38 0.00 5.36 0.80 -5.00 117.98 117.28 1g4f s PHE 67 Ca -0.06 0.08 0.04 0.00 -0.96 0.00 0.00 56.93 56.03 1g4f s PHE 67 Cb 0.16 -1.66 0.18 0.00 -0.34 0.00 0.00 43.02 41.37 1g4f s PHE 67 CO 0.73 0.38 0.72 -1.59 -1.46 0.00 0.00 175.22 173.99 1g4f s LYS 68 N -3.96 0.65 -0.01 10.12 0.00 -1.26 -4.84 119.74 120.43 1g4f s LYS 68 Ca 0.35 -0.11 -0.31 0.00 0.00 0.00 0.00 55.97 55.90 1g4f s LYS 68 Cb -0.09 0.10 -0.09 0.00 0.00 0.00 0.00 37.83 37.75 1g4f s LYS 68 CO 0.30 -0.97 1.98 -1.91 0.00 0.00 0.00 175.35 174.76 1g4f n GLU 69 N 4.43 2.66 -3.83 1.78 2.13 -1.26 -4.96 120.64 121.59 1g4f n GLU 69 Ca 0.09 0.96 -0.21 0.00 0.66 0.00 0.00 57.16 58.66 1g4f n GLU 69 Cb 0.58 -2.96 -0.05 0.00 0.27 0.00 0.00 31.44 29.28 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 7.75 0.60 -2.55 4.31 -0.00 -1.26 -5.15 115.22 118.91 1g4f n HIS 70 Ca 0.22 -1.80 -0.23 0.00 0.46 0.00 0.00 57.72 56.37 1g4f n HIS 70 Cb 0.39 -0.16 0.07 0.00 -0.12 0.00 0.00 29.99 30.17 1g4f n HIS 70 CO 0.00 0.00 0.00 -1.12 0.46 0.00 0.00 176.34 175.68 1g4f s SER 71 N -2.91 4.78 0.19 0.26 0.01 -1.26 -4.95 113.70 109.81 1g4f s SER 71 Ca 0.05 -0.11 0.00 0.00 1.31 0.00 0.00 55.95 57.19 1g4f s SER 71 Cb 0.00 -0.51 0.00 0.00 0.21 0.00 0.00 66.02 65.73 1g4f s SER 71 CO 0.03 -1.54 0.00 -1.20 0.41 0.00 0.00 173.24 170.95 1g4f n SER 72 N -2.65 -0.93 -4.13 2.44 7.64 -1.26 -4.50 113.62 110.24 1g4f n SER 72 Ca 0.11 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.66 1g4f n SER 72 Cb 0.60 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.66 1g4f n SER 72 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1g4f s LEU 73 N 0.00 3.64 0.96 -3.43 1.02 -1.26 -5.10 118.68 114.51 1g4f s LEU 73 Ca 0.00 -1.31 -0.13 0.00 0.02 0.00 0.00 54.13 52.71 1g4f s LEU 73 Cb 0.00 -1.63 0.03 0.00 0.02 0.00 0.00 46.19 44.61 1g4f s LEU 73 CO 0.00 -0.22 0.33 0.00 0.02 0.00 0.00 176.35 176.48 1g4f n ALA 74 N 4.53 -2.82 -2.58 4.21 0.00 -1.26 -5.01 120.51 117.58 1g4f n ALA 74 Ca -0.14 -0.65 -0.27 0.00 0.00 0.00 0.00 53.44 52.38 1g4f n ALA 74 Cb 0.43 -1.75 -0.11 0.00 0.00 0.00 0.00 19.45 18.02 1g4f n ALA 74 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1g4f s PHE 75 N -2.37 2.45 -1.72 0.00 -0.71 -1.26 -4.65 117.98 109.73 1g4f s PHE 75 Ca 0.56 -0.58 0.00 0.00 -1.04 0.00 0.00 56.93 55.87 1g4f s PHE 75 Cb -0.20 -1.55 0.00 0.00 -1.21 0.00 0.00 43.02 40.05 1g4f s PHE 75 CO 0.68 0.52 0.00 1.87 -1.34 0.00 0.00 175.22 176.95 1g4f n TRP 76 N -0.87 0.00 -3.99 3.49 -0.00 -1.26 -4.95 117.44 109.86 1g4f n TRP 76 Ca -0.05 0.00 -0.09 0.00 -0.00 0.00 0.00 57.50 57.36 1g4f n TRP 76 Cb 0.65 -3.01 -0.11 0.00 -0.00 0.00 0.00 31.31 28.84 1g4f n TRP 76 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 177.69 177.90 1g4f s LYS 77 N -3.34 0.33 0.23 5.87 2.20 -1.26 -5.16 119.74 118.61 1g4f s LYS 77 Ca 0.00 -0.63 0.07 0.00 -0.36 0.00 0.00 55.97 55.05 1g4f s LYS 77 Cb 0.00 0.08 -0.04 0.00 -1.51 0.00 0.00 37.83 36.36 1g4f s LYS 77 CO 0.00 -0.04 0.11 0.99 -0.36 0.00 0.00 175.35 176.05 1g4f s THR 78 N -1.49 4.10 -0.52 3.43 2.01 -1.26 -5.02 115.64 116.88 1g4f s THR 78 Ca -0.15 -1.49 -0.22 0.00 0.31 0.00 0.00 61.69 60.14 1g4f s THR 78 Cb -0.10 -3.17 0.04 0.00 0.01 0.00 0.00 72.50 69.28 1g4f s THR 78 CO -0.01 -0.29 0.81 -1.81 -0.69 0.00 0.00 174.62 172.63 1g4f s ASP 79 N -3.57 6.31 0.23 3.53 1.11 -1.26 -4.93 116.67 118.08 1g4f s ASP 79 Ca 0.31 -0.51 -0.17 0.00 0.18 0.00 0.00 52.55 52.36 1g4f s ASP 79 Cb -0.08 -2.38 0.24 0.00 1.07 0.00 0.00 42.92 41.77 1g4f s ASP 79 CO 0.23 -1.06 1.56 0.00 1.18 0.00 0.00 175.17 177.07 1g4f h ALA 80 N 9.15 0.17 -0.83 5.23 0.00 -1.83 1.89 119.26 133.03 1g4f h ALA 80 Ca -0.26 0.27 0.24 0.00 0.00 0.00 0.00 54.91 55.16 1g4f h ALA 80 Cb 1.08 0.96 -0.03 0.00 0.00 0.00 0.00 17.79 19.80 1g4f h ALA 80 CO 1.02 -0.61 0.94 1.03 0.00 0.00 0.00 179.25 181.63 1g4f h SER 81 N -0.02 0.00 -0.90 0.00 0.87 -1.87 1.73 113.55 113.35 1g4f h SER 81 Ca 0.34 0.00 -0.40 0.00 -1.23 0.00 0.00 61.79 60.50 1g4f h SER 81 Cb 0.60 0.00 -0.24 0.00 -0.44 0.00 0.00 62.40 62.32 1g4f h SER 81 CO -0.95 0.00 0.50 0.47 -0.53 0.00 0.00 176.83 176.33 1g4f n ASP 82 N -3.44 4.18 -4.26 6.23 9.92 0.64 -4.93 116.55 124.89 1g4f n ASP 82 Ca 0.18 -3.46 -0.20 0.00 -0.53 0.00 0.00 54.79 50.77 1g4f n ASP 82 Cb 1.21 -0.80 -0.11 0.00 -0.64 0.00 0.00 41.12 40.77 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 -3.18 1.50 0.17 2.53 1.01 0.59 -4.90 120.40 118.11 1g4f s VAL 83 Ca 0.56 -1.69 -0.13 0.00 0.00 0.00 0.00 61.98 60.72 1g4f s VAL 83 Cb 0.47 -1.56 -0.07 0.00 0.00 0.00 0.00 36.38 35.22 1g4f s VAL 83 CO 0.12 -0.30 0.56 -1.59 0.00 0.00 0.00 175.10 173.89 1g4f s LYS 84 N -2.45 3.95 0.29 2.72 -2.85 -1.26 -4.78 119.74 115.36 1g4f s LYS 84 Ca 0.09 0.46 -0.30 0.00 -1.00 0.00 0.00 55.97 55.22 1g4f s LYS 84 Cb -0.07 -2.85 -0.11 0.00 -2.06 0.00 0.00 37.83 32.74 1g4f s LYS 84 CO 0.04 0.43 1.55 -2.14 0.10 0.00 0.00 175.35 175.33 1g4f s PRO 85 N -2.17 4.15 0.00 1.78 0.02 -1.26 -2.16 135.00 135.37 1g4f s PRO 85 Ca 0.40 2.51 0.00 0.00 0.02 0.00 0.00 61.00 63.94 1g4f s PRO 85 Cb -0.14 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.34 1g4f s PRO 85 CO 0.20 -0.57 0.09 0.00 -0.33 0.00 0.00 177.00 176.39