#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 2.85 -0.10 -0.78 3.01 -1.26 -5.00 119.74 118.46 1g4f s LYS 2 Ca 0.00 -1.06 -0.24 0.00 -1.01 0.00 0.00 55.97 53.66 1g4f s LYS 2 Cb 0.00 -3.73 -0.03 0.00 -1.01 0.00 0.00 37.83 33.06 1g4f s LYS 2 CO 0.00 -0.69 0.74 0.00 0.51 0.00 0.00 175.35 175.91 1g4f s ALA 3 N 1.56 3.40 0.88 5.17 0.00 -1.26 -4.73 121.76 126.78 1g4f s ALA 3 Ca 0.02 0.08 0.00 0.00 0.00 0.00 0.00 51.96 52.06 1g4f s ALA 3 Cb -0.19 -3.04 0.00 0.00 0.00 0.00 0.00 23.12 19.88 1g4f s ALA 3 CO 0.07 -0.30 0.00 -1.13 0.00 0.00 0.00 175.76 174.40 1g4f n SER 4 N 4.30 0.00 -2.33 0.00 3.41 -1.26 -0.20 113.62 117.55 1g4f n SER 4 Ca 0.01 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.56 1g4f n SER 4 Cb 0.50 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.44 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 -2.30 1.31 -0.94 0.00 -2.85 -1.26 -3.60 119.74 110.09 1g4f s LYS 6 Ca 0.01 -0.84 -0.32 0.00 -1.00 0.00 0.00 55.97 53.81 1g4f s LYS 6 Cb 0.00 -2.44 -0.22 0.00 -2.06 0.00 0.00 37.83 33.11 1g4f s LYS 6 CO 0.01 -0.63 2.64 1.47 0.10 0.00 0.00 175.35 178.94 1g4f n LEU 7 N 4.78 0.34 0.28 2.77 -0.00 -1.26 -4.71 117.00 119.20 1g4f n LEU 7 Ca -0.11 0.23 0.14 0.00 -0.00 0.00 0.00 56.01 56.27 1g4f n LEU 7 Cb 0.45 -0.92 0.82 0.00 -0.00 0.00 0.00 43.42 43.76 1g4f n LEU 7 CO 0.16 -0.73 1.05 1.55 -0.00 0.00 0.00 177.39 179.42 1g4f h PRO 8 N 11.69 0.00 0.00 1.47 0.14 -1.99 -3.44 132.00 139.87 1g4f h PRO 8 Ca -0.06 0.00 -0.39 0.00 0.14 0.00 0.00 66.00 65.70 1g4f h PRO 8 Cb 1.32 0.00 -0.08 0.00 0.14 0.00 0.00 31.00 32.38 1g4f h PRO 8 CO 1.36 0.06 -0.31 0.28 0.14 0.00 0.00 178.00 179.53 1g4f n VAL 9 N -3.76 0.00 0.19 1.56 0.31 -1.26 -5.06 118.33 110.30 1g4f n VAL 9 Ca -0.02 -1.59 0.02 0.00 -0.01 0.00 0.00 64.34 62.73 1g4f n VAL 9 Cb 0.16 0.51 -0.01 0.00 -0.91 0.00 0.00 33.84 33.59 1g4f n VAL 9 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1g4f n LYS 10 N -0.67 3.68 -2.71 5.55 4.81 -1.26 -4.69 118.16 122.87 1g4f n LYS 10 Ca -0.06 -0.25 -0.06 0.00 -0.87 0.00 0.00 58.31 57.06 1g4f n LYS 10 Cb 0.41 -0.82 0.06 0.00 0.02 0.00 0.00 35.03 34.71 1g4f n LYS 10 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1g4f n LYS 11 N -0.65 1.31 -3.27 1.64 4.81 -1.26 -4.55 118.16 116.19 1g4f n LYS 11 Ca 0.01 -2.82 -0.38 0.00 -0.87 0.00 0.00 58.31 54.25 1g4f n LYS 11 Cb 0.08 -0.92 -0.06 0.00 0.02 0.00 0.00 35.03 34.15 1g4f n LYS 11 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1g4f s ALA 12 N -2.29 3.46 -0.30 3.14 0.00 -1.26 -4.97 121.76 119.53 1g4f s ALA 12 Ca 0.24 -0.13 -0.07 0.00 0.00 0.00 0.00 51.96 52.01 1g4f s ALA 12 Cb 0.41 -2.70 0.01 0.00 0.00 0.00 0.00 23.12 20.85 1g4f s ALA 12 CO -0.02 0.00 0.08 0.99 0.00 0.00 0.00 175.76 176.82 1g4f s THR 13 N 0.57 3.93 0.38 0.00 2.01 -1.26 -0.57 115.64 120.70 1g4f s THR 13 Ca 0.28 -0.76 0.01 0.00 0.31 0.00 0.00 61.69 61.53 1g4f s THR 13 Cb -0.16 -3.05 0.01 0.00 0.01 0.00 0.00 72.50 69.31 1g4f s THR 13 CO 0.12 0.05 0.08 1.33 -0.69 0.00 0.00 174.62 175.50 1g4f n VAL 14 N 4.86 0.00 -4.88 3.82 0.24 -0.54 -3.95 118.33 117.88 1g4f n VAL 14 Ca -0.14 -1.73 -0.30 0.00 -2.04 0.00 0.00 64.34 60.13 1g4f n VAL 14 Cb 0.47 0.22 -0.17 0.00 -1.47 0.00 0.00 33.84 32.90 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 -2.26 1.79 -0.52 3.34 1.01 0.46 -2.08 120.40 122.13 1g4f s VAL 15 Ca 0.06 -0.85 -0.03 0.00 0.00 0.00 0.00 61.98 61.16 1g4f s VAL 15 Cb -0.00 -1.58 0.18 0.00 0.00 0.00 0.00 36.38 34.98 1g4f s VAL 15 CO 0.04 0.50 2.43 0.00 0.00 0.00 0.00 175.10 178.06 1g4f n TYR 16 N 3.78 2.00 -3.48 5.22 4.19 0.58 -1.65 117.16 127.79 1g4f n TYR 16 Ca -0.20 -2.12 -0.18 0.00 3.31 0.00 0.00 57.90 58.71 1g4f n TYR 16 Cb 0.52 -1.27 0.07 0.00 0.49 0.00 0.00 39.34 39.15 1g4f n TYR 16 CO 0.00 0.00 0.00 1.04 0.91 0.00 0.00 176.86 178.81 1g4f n GLN 17 N 0.34 -5.46 0.00 2.98 6.02 -1.26 -4.30 117.38 115.70 1g4f n GLN 17 Ca 0.48 0.78 0.00 0.00 -0.01 0.00 0.00 57.00 58.25 1g4f n GLN 17 Cb 0.51 -5.64 0.00 0.00 1.02 0.00 0.00 30.24 26.13 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 -1.27 2.57 3.56 1.08 0.00 -1.26 -5.13 105.19 104.73 1g4f n GLY 18 Ca -0.26 -0.31 -0.26 0.00 0.00 0.00 0.00 46.02 45.20 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 0.00 1.85 0.01 1.61 2.02 -1.26 -5.16 118.70 117.78 1g4f s GLU 19 Ca 0.00 -2.07 0.02 0.00 0.02 0.00 0.00 54.97 52.95 1g4f s GLU 19 Cb 0.00 -1.22 -0.01 0.00 0.10 0.00 0.00 34.13 33.00 1g4f s GLU 19 CO 0.00 -0.18 -0.07 1.03 0.02 0.00 0.00 175.26 176.06 1g4f s ARG 20 N -3.80 0.55 0.29 1.61 3.00 -1.26 -0.31 118.95 119.02 1g4f s ARG 20 Ca 0.32 -0.42 -0.10 0.00 0.00 0.00 0.00 55.73 55.52 1g4f s ARG 20 Cb 0.08 -0.47 0.04 0.00 0.00 0.00 0.00 34.95 34.60 1g4f s ARG 20 CO 0.15 0.12 0.57 1.33 0.00 0.00 0.00 175.30 177.47 1g4f n VAL 21 N 2.41 0.00 -3.47 3.52 0.24 -0.88 -4.97 118.33 115.18 1g4f n VAL 21 Ca -0.16 -0.77 -0.40 0.00 -2.04 0.00 0.00 64.34 60.97 1g4f n VAL 21 Cb 0.57 0.74 -0.10 0.00 -1.47 0.00 0.00 33.84 33.57 1g4f n VAL 21 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1g4f s LYS 22 N -2.10 3.67 0.46 7.34 2.47 -1.26 -1.46 119.74 128.86 1g4f s LYS 22 Ca 0.12 -0.41 0.20 0.00 -1.56 0.00 0.00 55.97 54.33 1g4f s LYS 22 Cb -0.03 -3.76 1.19 0.00 -1.46 0.00 0.00 37.83 33.76 1g4f s LYS 22 CO 0.09 -0.41 1.91 0.97 0.16 0.00 0.00 175.35 178.08 1g4f h ILE 23 N 5.48 0.72 0.00 5.43 2.10 -1.21 0.30 117.51 130.32 1g4f h ILE 23 Ca -0.31 -0.09 0.00 0.00 1.08 0.00 0.00 64.86 65.53 1g4f h ILE 23 Cb 1.16 0.42 0.00 0.00 -1.09 0.00 0.00 36.82 37.31 1g4f h ILE 23 CO 0.64 0.05 0.09 0.06 -1.08 0.00 0.00 178.15 177.92 1g4f h GLN 24 N 0.27 0.00 0.00 2.19 -0.00 -1.80 -1.04 115.11 114.73 1g4f h GLN 24 Ca 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.03 1g4f h GLN 24 Cb 1.09 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.57 1g4f h GLN 24 CO -0.10 0.00 -0.03 0.39 -0.00 0.00 0.00 178.83 179.09 1g4f n GLU 25 N -2.80 0.02 -0.18 0.06 -0.58 0.96 -3.94 120.64 114.17 1g4f n GLU 25 Ca -0.02 0.01 0.30 0.00 -0.42 0.00 0.00 57.16 57.02 1g4f n GLU 25 Cb 0.15 -0.21 0.69 0.00 -0.57 0.00 0.00 31.44 31.49 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 -0.03 0.00 -0.81 3.49 1.63 -1.41 0.16 116.57 119.59 1g4f h LYS 26 Ca 0.00 0.00 -0.51 0.00 -0.85 0.00 0.00 60.65 59.29 1g4f h LYS 26 Cb 0.03 0.00 -0.42 0.00 -0.60 0.00 0.00 32.23 31.24 1g4f h LYS 26 CO 0.00 0.00 -0.86 1.19 -3.45 0.00 0.00 179.45 176.33 1g4f n PHE 27 N -3.83 2.58 -0.38 1.91 3.72 -0.40 -4.85 117.46 116.21 1g4f n PHE 27 Ca 0.20 -2.34 0.30 0.00 -0.05 0.00 0.00 57.45 55.55 1g4f n PHE 27 Cb 1.13 -0.29 0.58 0.00 -0.94 0.00 0.00 39.48 39.95 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 2.32 0.22 -1.47 -1.08 1.57 -0.68 0.42 116.57 117.87 1g4f h LYS 28 Ca 0.27 -0.01 -0.72 0.00 -1.87 0.00 0.00 60.65 58.33 1g4f h LYS 28 Cb 1.41 -0.05 -0.28 0.00 0.08 0.00 0.00 32.23 33.39 1g4f h LYS 28 CO 0.68 0.15 0.96 0.09 -0.57 0.00 0.00 179.45 180.76 1g4f n ASN 29 N -4.69 7.61 -0.23 0.86 3.02 -1.26 -4.92 115.26 115.65 1g4f n ASN 29 Ca 0.32 -3.80 0.03 0.00 -0.03 0.00 0.00 54.58 51.10 1g4f n ASN 29 Cb 1.16 -1.02 -0.01 0.00 -0.61 0.00 0.00 39.78 39.30 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 -0.71 -1.62 3.91 7.41 0.00 0.15 -4.72 105.19 109.61 1g4f n GLY 30 Ca 0.58 -1.46 -0.32 0.00 0.00 0.00 0.00 46.02 44.82 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 -1.56 3.45 0.64 1.61 -1.94 -1.24 -4.61 119.30 115.66 1g4f s MET 31 Ca 0.00 -0.37 -0.18 0.00 -1.71 0.00 0.00 55.69 53.43 1g4f s MET 31 Cb 0.00 -3.06 -0.01 0.00 2.01 0.00 0.00 34.83 33.77 1g4f s MET 31 CO 0.00 0.63 1.27 -0.51 -0.01 0.00 0.00 175.02 176.40 1g4f s LEU 32 N -2.27 3.57 0.42 -0.03 1.02 -1.26 0.14 118.68 120.28 1g4f s LEU 32 Ca 0.32 2.55 -0.25 0.00 0.02 0.00 0.00 54.13 56.77 1g4f s LEU 32 Cb -0.13 -4.61 -0.08 0.00 0.02 0.00 0.00 46.19 41.39 1g4f s LEU 32 CO 0.24 -1.94 1.29 -2.28 0.02 0.00 0.00 176.35 173.68 1g4f s HIS 33 N -1.48 2.80 0.00 0.29 5.65 -1.26 -2.08 115.29 119.20 1g4f s HIS 33 Ca 0.81 1.42 0.00 0.00 0.25 0.00 0.00 55.06 57.54 1g4f s HIS 33 Cb -0.35 -3.64 0.00 0.00 -1.18 0.00 0.00 32.58 27.40 1g4f s HIS 33 CO 0.39 -2.06 0.00 0.41 -0.65 0.00 0.00 174.74 172.83 1g4f n GLY 34 N 0.65 0.49 3.80 1.59 0.00 0.32 -4.97 105.19 107.07 1g4f n GLY 34 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.22 5.52 -0.06 1.61 2.15 -0.88 -4.73 116.67 118.06 1g4f s ASP 35 Ca 0.00 1.76 0.01 0.00 0.43 0.00 0.00 52.55 54.75 1g4f s ASP 35 Cb 0.00 -2.52 0.02 0.00 -0.30 0.00 0.00 42.92 40.12 1g4f s ASP 35 CO 0.00 -1.35 -0.09 -0.54 -0.17 0.00 0.00 175.17 173.03 1g4f s LYS 36 N -4.47 1.34 -0.01 4.34 1.02 -1.26 -0.31 119.74 120.39 1g4f s LYS 36 Ca 0.62 -0.27 -0.01 0.00 0.02 0.00 0.00 55.97 56.33 1g4f s LYS 36 Cb -0.16 -1.22 0.01 0.00 -0.52 0.00 0.00 37.83 35.94 1g4f s LYS 36 CO 0.45 -0.06 0.03 0.14 -0.92 0.00 0.00 175.35 174.98 1g4f s VAL 37 N 0.94 -0.01 -0.11 3.17 -7.23 0.06 -4.50 120.40 112.72 1g4f s VAL 37 Ca -0.10 0.04 -0.05 0.00 -1.81 0.00 0.00 61.98 60.06 1g4f s VAL 37 Cb -0.15 -0.05 -0.04 0.00 0.56 0.00 0.00 36.38 36.70 1g4f s VAL 37 CO 0.01 0.02 0.09 -0.44 -0.31 0.00 0.00 175.10 174.46 1g4f s SER 38 N 0.21 5.94 -0.05 4.85 0.01 -0.66 0.15 113.70 124.15 1g4f s SER 38 Ca -0.02 0.34 -0.05 0.00 1.31 0.00 0.00 55.95 57.53 1g4f s SER 38 Cb -0.02 -1.84 -0.04 0.00 0.21 0.00 0.00 66.02 64.32 1g4f s SER 38 CO -0.01 0.39 0.18 -0.36 0.41 0.00 0.00 173.24 173.85 1g4f s PHE 39 N -0.95 3.57 0.00 2.43 0.08 -0.95 -0.41 117.98 121.76 1g4f s PHE 39 Ca 0.14 0.45 -0.30 0.00 0.12 0.00 0.00 56.93 57.34 1g4f s PHE 39 Cb -0.12 -1.89 -0.03 0.00 -0.57 0.00 0.00 43.02 40.41 1g4f s PHE 39 CO 0.03 0.68 1.00 -0.06 -0.10 0.00 0.00 175.22 176.78 1g4f s PHE 40 N -1.21 3.63 0.04 0.36 0.08 -1.25 0.01 117.98 119.63 1g4f s PHE 40 Ca 0.23 1.65 0.00 0.00 0.12 0.00 0.00 56.93 58.93 1g4f s PHE 40 Cb -0.12 -3.15 -0.03 0.00 -0.57 0.00 0.00 43.02 39.14 1g4f s PHE 40 CO 0.13 -0.15 -0.04 0.00 -0.10 0.00 0.00 175.22 175.06 1g4f s LYS 42 N -2.23 3.57 -0.20 0.00 -2.85 -1.26 0.33 119.74 117.10 1g4f s LYS 42 Ca -0.08 -0.19 0.00 0.00 -1.00 0.00 0.00 55.97 54.71 1g4f s LYS 42 Cb -0.05 -2.76 0.02 0.00 -2.06 0.00 0.00 37.83 32.99 1g4f s LYS 42 CO -0.03 0.32 -0.16 1.21 0.10 0.00 0.00 175.35 176.79 1g4f s ASN 43 N -3.15 3.48 0.21 0.03 3.84 0.51 -4.89 114.94 114.97 1g4f s ASN 43 Ca 0.41 -0.70 0.06 0.00 0.21 0.00 0.00 52.86 52.84 1g4f s ASN 43 Cb -0.11 -1.53 0.13 0.00 -0.55 0.00 0.00 41.25 39.19 1g4f s ASN 43 CO 0.29 -0.03 1.48 0.50 -2.79 0.00 0.00 177.10 176.55 1g4f h LYS 44 N 7.95 0.11 -0.16 0.43 3.64 -1.96 0.46 116.57 127.04 1g4f h LYS 44 Ca -0.42 -0.10 -0.19 0.00 -1.27 0.00 0.00 60.65 58.66 1g4f h LYS 44 Cb 1.13 0.02 0.01 0.00 -0.41 0.00 0.00 32.23 32.98 1g4f h LYS 44 CO 0.61 0.81 -0.66 0.93 -2.27 0.00 0.00 179.45 178.88 1g4f h GLU 45 N 0.07 0.73 0.00 1.90 4.39 -1.95 -3.27 114.58 116.45 1g4f h GLU 45 Ca -0.02 -0.57 0.00 0.00 0.34 0.00 0.00 59.36 59.11 1g4f h GLU 45 Cb 1.33 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 30.09 1g4f h GLU 45 CO 0.11 1.19 -1.10 1.63 -1.16 0.00 0.00 179.01 179.67 1g4f n LYS 46 N -4.04 0.34 -2.19 2.33 5.02 -1.23 -4.96 118.16 113.43 1g4f n LYS 46 Ca -0.07 -0.01 -0.11 0.00 -2.02 0.00 0.00 58.31 56.10 1g4f n LYS 46 Cb 0.68 -1.61 -0.01 0.00 -0.02 0.00 0.00 35.03 34.08 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 -2.05 -0.90 -4.23 1.97 5.02 0.16 -5.00 118.16 113.12 1g4f n LYS 47 Ca 0.01 0.56 -0.19 0.00 -2.02 0.00 0.00 58.31 56.68 1g4f n LYS 47 Cb 0.46 -4.69 -0.07 0.00 -0.02 0.00 0.00 35.03 30.71 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 -3.35 5.30 0.37 0.00 1.04 -0.94 0.19 113.70 116.31 1g4f s SER 49 Ca 0.38 -0.58 -0.14 0.00 0.48 0.00 0.00 55.95 56.09 1g4f s SER 49 Cb 0.01 -0.71 0.04 0.00 0.10 0.00 0.00 66.02 65.47 1g4f s SER 49 CO 0.27 -0.61 0.73 -0.72 0.98 0.00 0.00 173.24 173.89 1g4f s TYR 50 N -2.39 0.28 0.05 5.02 -0.85 0.15 -2.46 117.35 117.15 1g4f s TYR 50 Ca 0.48 -0.87 0.06 0.00 -0.52 0.00 0.00 57.07 56.22 1g4f s TYR 50 Cb -0.06 0.67 -0.04 0.00 0.38 0.00 0.00 41.96 42.92 1g4f s TYR 50 CO 0.29 -1.49 -0.11 0.95 -1.52 0.00 0.00 175.55 173.67 1g4f s THR 51 N -2.49 3.30 -0.75 -3.49 -4.23 -1.26 -0.54 115.64 106.18 1g4f s THR 51 Ca 0.18 -1.07 -0.01 0.00 -1.18 0.00 0.00 61.69 59.60 1g4f s THR 51 Cb -0.04 -2.46 0.19 0.00 1.34 0.00 0.00 72.50 71.52 1g4f s THR 51 CO 0.13 0.27 0.59 -1.61 -0.54 0.00 0.00 174.62 173.46 1g4f s GLU 52 N -1.71 2.84 0.31 3.99 0.41 0.10 -4.78 118.70 119.86 1g4f s GLU 52 Ca 0.18 -2.97 -0.25 0.00 -0.41 0.00 0.00 54.97 51.53 1g4f s GLU 52 Cb -0.11 -3.78 -0.16 0.00 -1.78 0.00 0.00 34.13 28.30 1g4f s GLU 52 CO 0.09 -1.23 0.34 -0.25 -0.49 0.00 0.00 175.26 173.72 1g4f n ASP 53 N 2.78 -1.91 -4.12 -0.19 8.00 -1.26 -2.24 116.55 117.60 1g4f n ASP 53 Ca 0.15 0.97 -0.11 0.00 0.71 0.00 0.00 54.79 56.52 1g4f n ASP 53 Cb 0.37 -0.94 -0.08 0.00 -0.02 0.00 0.00 41.12 40.45 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 -1.34 0.65 0.02 2.24 0.00 0.39 -4.83 121.76 118.90 1g4f s ALA 54 Ca 0.62 -1.39 -0.00 0.00 0.00 0.00 0.00 51.96 51.18 1g4f s ALA 54 Cb -0.77 1.23 -0.02 0.00 0.00 0.00 0.00 23.12 23.55 1g4f s ALA 54 CO 0.59 -0.67 -0.02 -1.14 0.00 0.00 0.00 175.76 174.53 1g4f s GLN 55 N -4.10 0.33 -0.10 0.00 0.74 -1.26 -0.76 119.66 114.52 1g4f s GLN 55 Ca 0.32 -0.63 -0.06 0.00 0.05 0.00 0.00 55.36 55.04 1g4f s GLN 55 Cb 0.05 0.12 -0.04 0.00 1.10 0.00 0.00 33.01 34.24 1g4f s GLN 55 CO 0.10 -0.06 0.11 0.00 -0.55 0.00 0.00 175.29 174.89 1g4f s ILE 57 N -1.03 1.11 -0.98 0.00 -1.09 0.12 -0.52 121.20 118.82 1g4f s ILE 57 Ca 0.16 -2.00 -0.20 0.00 -2.23 0.00 0.00 60.65 56.38 1g4f s ILE 57 Cb -0.12 -2.56 -0.27 0.00 -1.58 0.00 0.00 42.46 37.93 1g4f s ILE 57 CO 0.05 0.00 2.41 -0.67 -1.23 0.00 0.00 174.94 175.50 1g4f n ASP 58 N -1.04 -0.46 -0.26 3.58 -0.08 -1.22 -0.67 116.55 116.40 1g4f n ASP 58 Ca -0.07 -0.25 -0.03 0.00 -1.51 0.00 0.00 54.79 52.93 1g4f n ASP 58 Cb 0.66 -0.77 -0.01 0.00 2.34 0.00 0.00 41.12 43.33 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 6.01 0.29 2.87 0.27 0.00 0.62 -4.83 105.19 110.41 1g4f n GLY 59 Ca 0.65 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.55 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 -1.13 -0.01 0.01 2.61 2.01 0.16 -4.58 115.64 114.72 1g4f s THR 60 Ca 0.00 0.03 0.01 0.00 0.31 0.00 0.00 61.69 62.04 1g4f s THR 60 Cb 0.00 -0.04 -0.01 0.00 0.01 0.00 0.00 72.50 72.46 1g4f s THR 60 CO 0.00 0.01 -0.05 -0.51 -0.69 0.00 0.00 174.62 173.38 1g4f s ILE 61 N 0.13 0.36 -1.07 1.82 2.07 -1.26 0.16 121.20 123.42 1g4f s ILE 61 Ca -0.01 -0.46 -0.04 0.00 -1.41 0.00 0.00 60.65 58.73 1g4f s ILE 61 Cb -0.02 -0.36 0.31 0.00 0.13 0.00 0.00 42.46 42.52 1g4f s ILE 61 CO -0.00 -0.08 1.48 1.21 -1.91 0.00 0.00 174.94 175.64 1g4f n GLU 62 N 2.48 4.46 -1.42 3.50 2.13 -1.26 -5.01 120.64 125.53 1g4f n GLU 62 Ca -0.16 -4.56 -0.42 0.00 0.66 0.00 0.00 57.16 52.67 1g4f n GLU 62 Cb 0.57 -2.50 0.00 0.00 0.27 0.00 0.00 31.44 29.78 1g4f n GLU 62 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1g4f n VAL 63 N 1.27 1.52 -1.72 6.31 0.31 -1.26 -4.77 118.33 120.00 1g4f n VAL 63 Ca 0.26 -0.50 -0.42 0.00 -0.01 0.00 0.00 64.34 63.67 1g4f n VAL 63 Cb 0.33 -0.38 -0.03 0.00 -0.91 0.00 0.00 33.84 32.85 1g4f n VAL 63 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 1g4f s PRO 64 N -1.39 4.14 0.52 5.55 0.01 -1.26 -4.84 135.00 137.72 1g4f s PRO 64 Ca 0.62 2.60 0.30 0.00 0.01 0.00 0.00 61.00 64.53 1g4f s PRO 64 Cb -0.64 -3.56 1.43 0.00 0.01 0.00 0.00 34.50 31.74 1g4f s PRO 64 CO 0.59 -0.84 1.87 -0.22 0.01 0.00 0.00 177.00 178.41 1g4f h LYS 65 N 8.48 0.06 -0.48 5.54 3.64 -2.00 -2.30 116.57 129.51 1g4f h LYS 65 Ca -0.46 -0.00 0.05 0.00 -1.27 0.00 0.00 60.65 58.97 1g4f h LYS 65 Cb 1.22 -0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.94 1g4f h LYS 65 CO 0.95 0.04 -0.53 0.00 -2.27 0.00 0.00 179.45 177.64 1g4f n PHE 67 N -5.17 -2.62 -3.53 0.00 -0.00 -0.87 -4.98 117.46 100.30 1g4f n PHE 67 Ca -0.02 0.32 -0.23 0.00 -0.00 0.00 0.00 57.45 57.52 1g4f n PHE 67 Cb 0.30 -1.72 -0.14 0.00 -0.00 0.00 0.00 39.48 37.92 1g4f n PHE 67 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.76 176.91 1g4f s LYS 68 N -1.81 0.17 0.00 -4.13 1.02 -1.26 -5.03 119.74 108.70 1g4f s LYS 68 Ca 0.57 -0.10 0.00 0.00 0.02 0.00 0.00 55.97 56.46 1g4f s LYS 68 Cb -0.38 -1.31 0.00 0.00 -0.52 0.00 0.00 37.83 35.62 1g4f s LYS 68 CO 0.66 -0.80 0.11 -1.91 -0.92 0.00 0.00 175.35 172.50 1g4f n GLU 69 N 5.29 0.00 -4.09 1.68 2.13 -1.26 -4.95 120.64 119.45 1g4f n GLU 69 Ca -0.06 0.47 -0.23 0.00 0.66 0.00 0.00 57.16 58.01 1g4f n GLU 69 Cb 0.47 -1.03 -0.06 0.00 0.27 0.00 0.00 31.44 31.09 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 -1.17 2.79 -0.39 4.31 5.04 -1.26 -4.85 115.29 119.77 1g4f s HIS 70 Ca 0.00 -0.30 -0.13 0.00 -1.54 0.00 0.00 55.06 53.09 1g4f s HIS 70 Cb 0.00 -1.55 0.02 0.00 0.04 0.00 0.00 32.58 31.08 1g4f s HIS 70 CO 0.00 0.39 0.48 0.45 -2.34 0.00 0.00 174.74 173.72 1g4f n SER 71 N -1.15 -7.58 -2.95 9.88 2.88 -1.26 -5.05 113.62 108.39 1g4f n SER 71 Ca -0.04 0.62 -0.02 0.00 -1.33 0.00 0.00 58.87 58.10 1g4f n SER 71 Cb 0.60 -5.11 0.02 0.00 -0.75 0.00 0.00 64.21 58.97 1g4f n SER 71 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1g4f n SER 72 N -0.18 -1.35 -4.65 -3.46 2.88 -1.26 -5.05 113.62 100.55 1g4f n SER 72 Ca 0.10 -1.66 -0.48 0.00 -1.33 0.00 0.00 58.87 55.50 1g4f n SER 72 Cb 0.37 2.18 -0.05 0.00 -0.75 0.00 0.00 64.21 65.96 1g4f n SER 72 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1g4f n LEU 73 N 0.00 2.68 0.10 2.46 4.32 -1.26 -4.86 117.00 120.43 1g4f n LEU 73 Ca -0.01 1.08 0.05 0.00 -0.02 0.00 0.00 56.01 57.12 1g4f n LEU 73 Cb 0.48 -1.34 -0.01 0.00 -1.62 0.00 0.00 43.42 40.92 1g4f n LEU 73 CO 0.17 -0.49 0.07 0.00 -1.22 0.00 0.00 177.39 175.92 1g4f h ALA 74 N 5.87 0.65 -2.58 -1.18 0.00 -2.03 -3.46 119.26 116.53 1g4f h ALA 74 Ca -0.46 -0.42 -0.53 0.00 0.00 0.00 0.00 54.91 53.51 1g4f h ALA 74 Cb 1.28 0.09 0.01 0.00 0.00 0.00 0.00 17.79 19.17 1g4f h ALA 74 CO 0.86 0.48 0.54 -0.06 0.00 0.00 0.00 179.25 181.07 1g4f s PHE 75 N -3.10 3.47 -0.32 0.00 0.40 -1.26 -4.98 117.98 112.20 1g4f s PHE 75 Ca 0.00 1.41 -0.29 0.00 -0.60 0.00 0.00 56.93 57.46 1g4f s PHE 75 Cb 0.08 -3.39 0.02 0.00 0.51 0.00 0.00 43.02 40.24 1g4f s PHE 75 CO 0.78 -1.08 1.07 -0.46 0.70 0.00 0.00 175.22 176.22 1g4f s TRP 76 N 0.40 3.15 -0.52 0.36 -0.11 -1.26 -4.94 118.94 116.01 1g4f s TRP 76 Ca 0.55 1.19 0.07 0.00 1.22 0.00 0.00 56.10 59.12 1g4f s TRP 76 Cb -0.30 -3.69 0.29 0.00 -1.50 0.00 0.00 33.47 28.27 1g4f s TRP 76 CO 0.33 -0.77 0.74 1.63 -4.62 0.00 0.00 176.95 174.26 1g4f n LYS 77 N 6.87 2.02 -3.15 5.86 5.02 -1.26 -5.00 118.16 128.51 1g4f n LYS 77 Ca 0.12 -4.16 -0.03 0.00 -2.02 0.00 0.00 58.31 52.22 1g4f n LYS 77 Cb 0.47 -1.91 0.00 0.00 -0.02 0.00 0.00 35.03 33.57 1g4f n LYS 77 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1g4f n THR 78 N 0.60 -3.41 -1.96 -0.18 -1.04 -1.26 -4.82 114.28 102.20 1g4f n THR 78 Ca 0.27 0.64 -0.37 0.00 -2.04 0.00 0.00 64.05 62.55 1g4f n THR 78 Cb 0.48 -3.55 0.03 0.00 -1.82 0.00 0.00 70.33 65.47 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 -1.12 5.33 0.59 8.00 1.01 -1.26 -4.79 116.67 124.42 1g4f s ASP 79 Ca 0.03 2.51 0.34 0.00 0.71 0.00 0.00 52.55 56.13 1g4f s ASP 79 Cb -0.00 -2.61 1.24 0.00 1.01 0.00 0.00 42.92 42.55 1g4f s ASP 79 CO 0.16 -1.51 1.47 0.00 0.21 0.00 0.00 175.17 175.50 1g4f h ALA 80 N 1.23 3.13 0.00 5.23 0.00 -1.87 0.81 119.26 127.79 1g4f h ALA 80 Ca -0.50 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1g4f h ALA 80 Cb 1.29 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1g4f h ALA 80 CO 0.56 -1.80 0.17 0.66 0.00 0.00 0.00 179.25 178.85 1g4f h SER 81 N 0.00 0.00 0.00 0.00 4.64 -1.87 -1.22 113.55 115.10 1g4f h SER 81 Ca 0.58 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.81 1g4f h SER 81 Cb 2.91 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 64.80 1g4f h SER 81 CO -0.01 0.00 -0.76 0.47 -0.87 0.00 0.00 176.83 175.67 1g4f n ASP 82 N -2.40 1.30 -4.61 4.97 8.00 0.28 -5.07 116.55 119.03 1g4f n ASP 82 Ca -0.02 -2.83 -0.26 0.00 0.71 0.00 0.00 54.79 52.40 1g4f n ASP 82 Cb 0.20 -0.40 -0.08 0.00 -0.02 0.00 0.00 41.12 40.82 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 -1.45 3.36 0.01 2.53 1.01 -0.46 -4.93 120.40 120.47 1g4f s VAL 83 Ca 0.34 -1.70 -0.19 0.00 0.00 0.00 0.00 61.98 60.43 1g4f s VAL 83 Cb 0.36 -2.71 -0.06 0.00 0.00 0.00 0.00 36.38 33.97 1g4f s VAL 83 CO -0.11 -0.19 0.55 -0.75 0.00 0.00 0.00 175.10 174.60 1g4f s LYS 84 N -3.11 4.24 0.34 2.72 2.47 -1.26 -4.77 119.74 120.37 1g4f s LYS 84 Ca 0.27 0.67 -0.29 0.00 -1.56 0.00 0.00 55.97 55.07 1g4f s LYS 84 Cb -0.08 -3.30 -0.12 0.00 -1.46 0.00 0.00 37.83 32.87 1g4f s LYS 84 CO 0.17 0.47 1.43 -2.30 0.16 0.00 0.00 175.35 175.28 1g4f n PRO 85 N 2.39 2.42 0.00 4.03 -0.01 -1.26 -2.22 135.00 140.35 1g4f n PRO 85 Ca -0.09 0.85 0.00 0.00 -0.01 0.00 0.00 63.50 64.25 1g4f n PRO 85 Cb 0.51 -2.53 0.00 0.00 -0.01 0.00 0.00 33.50 31.47 1g4f n PRO 85 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49