#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x3c s SER 2 N 0.00 -0.43 0.01 1.61 0.15 -1.26 -5.19 113.70 108.59 1x3c s SER 2 Ca 0.00 0.45 -0.28 0.00 0.70 0.00 0.00 55.95 56.82 1x3c s SER 2 Cb 0.00 0.35 0.10 0.00 -1.71 0.00 0.00 66.02 64.76 1x3c s SER 2 CO 0.00 -0.41 0.88 -0.55 1.20 0.00 0.00 173.24 174.36 1x3c s SER 3 N -1.17 -0.37 0.16 5.45 0.15 -1.26 -5.19 113.70 111.47 1x3c s SER 3 Ca -0.03 -0.01 -0.03 0.00 0.70 0.00 0.00 55.95 56.57 1x3c s SER 3 Cb -0.00 0.40 0.01 0.00 -1.71 0.00 0.00 66.02 64.72 1x3c s SER 3 CO 0.03 -0.64 0.27 0.61 1.20 0.00 0.00 173.24 174.70 1x3c n GLY 4 N -0.26 2.23 3.13 9.45 0.00 -1.26 -5.19 105.19 113.29 1x3c n GLY 4 Ca -0.09 -1.33 -0.08 0.00 0.00 0.00 0.00 46.02 44.52 1x3c n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x3c s SER 5 N -1.93 0.39 0.36 1.61 1.04 -1.26 -5.18 113.70 108.73 1x3c s SER 5 Ca 0.10 -1.00 0.04 0.00 0.48 0.00 0.00 55.95 55.57 1x3c s SER 5 Cb -0.01 0.25 -0.03 0.00 0.10 0.00 0.00 66.02 66.32 1x3c s SER 5 CO 0.08 -0.66 0.14 -0.44 0.98 0.00 0.00 173.24 173.34 1x3c s SER 6 N -2.94 2.26 0.00 7.02 0.01 -1.26 -5.16 113.70 113.63 1x3c s SER 6 Ca 0.11 -1.62 0.00 0.00 1.31 0.00 0.00 55.95 55.75 1x3c s SER 6 Cb 0.07 0.42 0.00 0.00 0.21 0.00 0.00 66.02 66.72 1x3c s SER 6 CO -0.07 -0.90 0.00 0.61 0.41 0.00 0.00 173.24 173.29 1x3c n GLY 7 N -0.76 3.90 3.36 3.44 0.00 -1.26 -5.17 105.19 108.70 1x3c n GLY 7 Ca -0.02 -0.22 -0.12 0.00 0.00 0.00 0.00 46.02 45.66 1x3c n GLY 7 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1x3c s ARG 8 N -1.00 0.52 -0.29 1.61 3.03 -1.26 -5.15 118.95 116.40 1x3c s ARG 8 Ca 0.00 0.76 -0.13 0.00 2.03 0.00 0.00 55.73 58.39 1x3c s ARG 8 Cb 0.00 0.16 0.11 0.00 -1.03 0.00 0.00 34.95 34.19 1x3c s ARG 8 CO 0.00 -0.10 0.67 0.21 -1.13 0.00 0.00 175.30 174.95 1x3c s LYS 9 N 0.76 0.62 -0.28 3.89 2.20 -1.26 -5.16 119.74 120.52 1x3c s LYS 9 Ca -0.04 1.35 -0.21 0.00 -0.36 0.00 0.00 55.97 56.71 1x3c s LYS 9 Cb -0.05 0.57 0.08 0.00 -1.51 0.00 0.00 37.83 36.92 1x3c s LYS 9 CO -0.06 -0.18 0.73 0.21 -0.36 0.00 0.00 175.35 175.70 1x3c s LYS 10 N 2.37 0.75 0.76 4.03 2.20 -1.26 -5.17 119.74 123.43 1x3c s LYS 10 Ca -0.08 1.06 -0.11 0.00 -0.36 0.00 0.00 55.97 56.49 1x3c s LYS 10 Cb -0.09 0.28 0.05 0.00 -1.51 0.00 0.00 37.83 36.56 1x3c s LYS 10 CO -0.19 -0.12 1.09 -1.25 -0.36 0.00 0.00 175.35 174.52 1x3c s PRO 11 N 0.92 2.32 -0.25 4.03 0.04 -1.26 -5.07 135.00 135.73 1x3c s PRO 11 Ca -0.04 1.20 -0.13 0.00 0.04 0.00 0.00 61.00 62.07 1x3c s PRO 11 Cb -0.05 -1.90 0.08 0.00 0.04 0.00 0.00 34.50 32.67 1x3c s PRO 11 CO -0.09 -1.60 0.60 0.54 0.04 0.00 0.00 177.00 176.49 1x3c s VAL 12 N -2.83 -0.18 -0.07 -0.36 0.11 -1.26 -5.16 120.40 110.65 1x3c s VAL 12 Ca 0.62 0.03 0.02 0.00 -2.93 0.00 0.00 61.98 59.73 1x3c s VAL 12 Cb -0.18 -0.88 0.01 0.00 -1.53 0.00 0.00 36.38 33.81 1x3c s VAL 12 CO 0.54 0.01 -0.13 -0.94 -3.33 0.00 0.00 175.10 171.26 1x3c s SER 13 N 1.81 1.88 0.36 3.54 1.04 -1.26 -5.12 113.70 115.95 1x3c s SER 13 Ca -0.09 -0.32 -0.27 0.00 0.48 0.00 0.00 55.95 55.75 1x3c s SER 13 Cb -0.07 -0.87 -0.09 0.00 0.10 0.00 0.00 66.02 65.09 1x3c s SER 13 CO -0.18 0.03 1.22 -1.58 0.98 0.00 0.00 173.24 173.72 1x3c s GLN 14 N 0.69 4.23 -0.26 4.02 0.74 -1.26 -4.99 119.66 122.83 1x3c s GLN 14 Ca -0.14 2.01 -0.23 0.00 0.05 0.00 0.00 55.36 57.05 1x3c s GLN 14 Cb -0.16 -2.90 -0.01 0.00 1.10 0.00 0.00 33.01 31.05 1x3c s GLN 14 CO 0.03 -0.22 0.75 0.45 -0.55 0.00 0.00 175.29 175.76 1x3c s SER 15 N -0.82 6.70 0.31 6.67 0.15 -1.26 -5.05 113.70 120.40 1x3c s SER 15 Ca 0.52 0.83 0.05 0.00 0.70 0.00 0.00 55.95 58.05 1x3c s SER 15 Cb -0.35 -2.40 -0.02 0.00 -1.71 0.00 0.00 66.02 61.55 1x3c s SER 15 CO 0.45 -0.49 0.45 -0.76 1.20 0.00 0.00 173.24 174.09 1x3c s LEU 16 N 2.76 4.08 0.28 3.45 1.43 -1.26 -4.99 118.68 124.43 1x3c s LEU 16 Ca 0.31 0.01 -0.01 0.00 -1.03 0.00 0.00 54.13 53.41 1x3c s LEU 16 Cb -0.15 -2.88 0.64 0.00 0.03 0.00 0.00 46.19 43.83 1x3c s LEU 16 CO 0.09 -0.30 1.62 -0.33 0.23 0.00 0.00 176.35 177.65 1x3c h GLU 17 N 0.94 0.10 -4.35 1.70 4.39 -2.01 -3.40 114.58 111.95 1x3c h GLU 17 Ca -0.49 -0.01 -0.28 0.00 0.34 0.00 0.00 59.36 58.93 1x3c h GLU 17 Cb 1.24 -0.02 -0.24 0.00 -0.10 0.00 0.00 28.75 29.63 1x3c h GLU 17 CO 0.57 0.06 -0.74 -0.59 -1.16 0.00 0.00 179.01 177.16 1x3c s PHE 18 N -6.02 0.51 -0.01 4.33 -0.71 -1.26 -5.07 117.98 109.75 1x3c s PHE 18 Ca -0.13 -0.33 -0.24 0.00 -1.04 0.00 0.00 56.93 55.19 1x3c s PHE 18 Cb 0.26 -0.32 -0.19 0.00 -1.21 0.00 0.00 43.02 41.57 1x3c s PHE 18 CO 0.77 -0.06 1.29 -1.00 -1.34 0.00 0.00 175.22 174.87 1x3c h PRO 19 N 5.14 0.09 -1.48 1.99 0.13 -2.02 -3.48 132.00 132.38 1x3c h PRO 19 Ca -0.32 -0.05 0.10 0.00 -0.87 0.00 0.00 66.00 64.87 1x3c h PRO 19 Cb 1.20 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.08 1x3c h PRO 19 CO 0.45 0.55 0.60 -0.08 -0.23 0.00 0.00 178.00 179.28 1x3c s THR 20 N -4.27 0.00 0.14 1.56 -1.32 -1.26 -5.05 115.64 105.44 1x3c s THR 20 Ca -0.15 0.00 -0.18 0.00 -1.21 0.00 0.00 61.69 60.15 1x3c s THR 20 Cb 0.03 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 70.00 1x3c s THR 20 CO 0.70 0.00 1.75 0.08 -2.21 0.00 0.00 174.62 174.93 1x3c h ARG 21 N 2.93 0.20 -4.84 7.08 0.11 -2.05 -3.45 114.38 114.36 1x3c h ARG 21 Ca -0.20 -0.01 -0.32 0.00 0.10 0.00 0.00 59.98 59.55 1x3c h ARG 21 Cb 1.17 -0.05 -0.15 0.00 1.11 0.00 0.00 29.97 32.06 1x3c h ARG 21 CO 0.24 0.13 -0.63 1.52 0.10 0.00 0.00 179.97 181.33 1x3c s TYR 22 N -6.17 1.39 -0.38 4.08 1.13 -1.26 -5.13 117.35 111.01 1x3c s TYR 22 Ca -0.13 -1.12 0.01 0.00 -1.41 0.00 0.00 57.07 54.42 1x3c s TYR 22 Cb 0.11 -0.80 0.12 0.00 -1.10 0.00 0.00 41.96 40.28 1x3c s TYR 22 CO 0.70 -0.30 0.16 -1.12 -2.51 0.00 0.00 175.55 172.48 1x3c s SER 23 N -3.25 3.96 0.48 -0.18 0.01 -1.26 -4.96 113.70 108.49 1x3c s SER 23 Ca 0.32 -2.20 0.27 0.00 1.31 0.00 0.00 55.95 55.65 1x3c s SER 23 Cb 0.07 -1.06 1.14 0.00 0.21 0.00 0.00 66.02 66.38 1x3c s SER 23 CO 0.10 -0.34 1.91 1.55 0.41 0.00 0.00 173.24 176.87 1x3c h PRO 24 N 7.36 0.00 -4.23 12.44 0.13 -2.02 -3.42 132.00 142.26 1x3c h PRO 24 Ca -0.06 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.60 1x3c h PRO 24 Cb 0.97 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 31.76 1x3c h PRO 24 CO 0.49 0.16 -0.79 -0.47 -0.23 0.00 0.00 178.00 177.15 1x3c s TYR 25 N -3.76 1.13 -0.52 1.56 5.04 -1.26 -5.11 117.35 114.42 1x3c s TYR 25 Ca -0.00 -0.41 -0.17 0.00 -2.44 0.00 0.00 57.07 54.05 1x3c s TYR 25 Cb 0.11 -0.92 0.09 0.00 0.35 0.00 0.00 41.96 41.59 1x3c s TYR 25 CO 0.60 -0.28 0.54 1.03 -1.34 0.00 0.00 175.55 176.10 1x3c s ARG 26 N 1.02 3.03 -0.02 4.97 1.81 -1.26 -4.92 118.95 123.57 1x3c s ARG 26 Ca -0.09 -1.33 -0.25 0.00 -1.72 0.00 0.00 55.73 52.34 1x3c s ARG 26 Cb -0.14 -4.20 -0.20 0.00 -0.45 0.00 0.00 34.95 29.96 1x3c s ARG 26 CO -0.00 -1.26 1.23 -1.00 -0.68 0.00 0.00 175.30 173.58 1x3c h PRO 27 N 8.94 -0.05 -6.41 3.54 0.13 -1.90 -3.42 132.00 132.83 1x3c h PRO 27 Ca -0.29 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.28 1x3c h PRO 27 Cb 1.10 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 32.20 1x3c h PRO 27 CO 0.99 0.42 1.05 0.71 -0.23 0.00 0.00 178.00 180.93 1x3c s TYR 28 N -4.20 2.43 -0.06 1.56 2.02 -1.11 -4.98 117.35 113.02 1x3c s TYR 28 Ca -0.15 0.73 -0.00 0.00 -0.37 0.00 0.00 57.07 57.27 1x3c s TYR 28 Cb 0.02 -4.09 0.02 0.00 -0.40 0.00 0.00 41.96 37.51 1x3c s TYR 28 CO 0.64 -2.08 -0.02 0.50 -1.57 0.00 0.00 175.55 173.03 1x3c s ARG 29 N 4.62 0.71 -0.38 -0.62 3.52 -1.26 -0.61 118.95 124.94 1x3c s ARG 29 Ca 0.62 -0.00 -0.45 0.00 -0.13 0.00 0.00 55.73 55.77 1x3c s ARG 29 Cb -0.17 -0.89 -0.19 0.00 -1.56 0.00 0.00 34.95 32.13 1x3c s ARG 29 CO 0.28 -0.19 1.51 0.00 -0.81 0.00 0.00 175.30 176.10 1x3c h VAL 31 N 4.63 1.25 -0.41 0.00 -1.51 -1.92 -3.43 116.25 114.86 1x3c h VAL 31 Ca -0.46 -1.05 -0.47 0.00 -1.23 0.00 0.00 66.70 63.50 1x3c h VAL 31 Cb 1.37 0.82 -0.06 0.00 -2.13 0.00 0.00 31.29 31.29 1x3c h VAL 31 CO 0.92 0.38 1.70 1.41 -1.23 0.00 0.00 177.57 180.74 1x3c n HIS 32 N -4.20 0.76 -1.62 5.19 8.25 -1.26 -4.75 115.22 117.58 1x3c n HIS 32 Ca 0.03 0.28 -0.61 0.00 -0.26 0.00 0.00 57.72 57.16 1x3c n HIS 32 Cb 0.31 -2.32 -0.08 0.00 1.12 0.00 0.00 29.99 29.02 1x3c n HIS 32 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 1x3c n GLN 33 N 8.42 0.33 0.00 -0.41 -0.06 -1.26 -1.76 117.38 122.64 1x3c n GLN 33 Ca 0.58 0.12 0.00 0.00 -2.00 0.00 0.00 57.00 55.70 1x3c n GLN 33 Cb 0.18 -1.67 0.00 0.00 -4.06 0.00 0.00 30.24 24.69 1x3c n GLN 33 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1x3c n GLY 34 N 2.83 2.95 3.50 1.69 0.00 -1.26 -5.03 105.19 109.87 1x3c n GLY 34 Ca 0.24 -0.80 -0.42 0.00 0.00 0.00 0.00 46.02 45.05 1x3c n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x3c n PHE 36 N 12.11 1.86 -4.93 0.00 3.72 -1.26 -4.65 117.46 124.31 1x3c n PHE 36 Ca 0.52 -2.60 -0.28 0.00 -0.05 0.00 0.00 57.45 55.04 1x3c n PHE 36 Cb 0.23 -2.07 -0.17 0.00 -0.94 0.00 0.00 39.48 36.53 1x3c n PHE 36 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1x3c s ALA 37 N 0.87 1.75 0.06 4.37 0.00 -1.26 -5.10 121.76 122.45 1x3c s ALA 37 Ca 0.65 -0.72 0.01 0.00 0.00 0.00 0.00 51.96 51.90 1x3c s ALA 37 Cb 0.23 -0.68 -0.03 0.00 0.00 0.00 0.00 23.12 22.63 1x3c s ALA 37 CO -0.07 0.22 -0.06 0.00 0.00 0.00 0.00 175.76 175.85 1x3c s ALA 38 N 0.44 0.65 0.16 0.00 0.00 -1.26 -2.29 121.76 119.46 1x3c s ALA 38 Ca -0.16 -1.05 -0.10 0.00 0.00 0.00 0.00 51.96 50.65 1x3c s ALA 38 Cb -0.17 0.15 -0.00 0.00 0.00 0.00 0.00 23.12 23.10 1x3c s ALA 38 CO 0.06 -0.19 0.31 -0.06 0.00 0.00 0.00 175.76 175.88 1x3c s PHE 39 N -2.76 0.31 -0.23 0.00 0.40 0.22 -5.01 117.98 110.92 1x3c s PHE 39 Ca 0.01 -0.68 -0.07 0.00 -0.60 0.00 0.00 56.93 55.59 1x3c s PHE 39 Cb -0.01 -0.00 -0.18 0.00 0.51 0.00 0.00 43.02 43.34 1x3c s PHE 39 CO -0.04 -0.73 -0.06 2.41 0.70 0.00 0.00 175.22 177.50 1x3c n THR 40 N -0.22 1.57 -3.16 0.64 -1.04 -1.26 -2.75 114.28 108.07 1x3c n THR 40 Ca -0.08 -0.48 -0.35 0.00 -2.04 0.00 0.00 64.05 61.10 1x3c n THR 40 Cb 0.63 -1.68 -0.06 0.00 -1.82 0.00 0.00 70.33 67.39 1x3c n THR 40 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1x3c s ILE 41 N -2.51 4.64 0.26 12.58 1.01 -1.26 -4.74 121.20 131.18 1x3c s ILE 41 Ca -0.32 1.14 0.06 0.00 0.00 0.00 0.00 60.65 61.53 1x3c s ILE 41 Cb 0.09 -3.80 -0.01 0.00 0.01 0.00 0.00 42.46 38.75 1x3c s ILE 41 CO 0.61 0.16 1.62 -0.61 0.00 0.00 0.00 174.94 176.71 1x3c h GLN 42 N 3.27 0.19 0.56 2.79 4.15 -1.99 -3.09 115.11 120.98 1x3c h GLN 42 Ca -0.48 -0.12 -0.03 0.00 0.77 0.00 0.00 58.65 58.80 1x3c h GLN 42 Cb 1.19 0.01 0.01 0.00 0.21 0.00 0.00 27.48 28.90 1x3c h GLN 42 CO 0.65 0.69 -0.27 0.37 -1.93 0.00 0.00 178.83 178.34 1x3c h GLN 43 N 0.15 -0.72 0.00 1.69 5.75 -1.96 -2.79 115.11 117.22 1x3c h GLN 43 Ca 0.00 0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.55 1x3c h GLN 43 Cb 1.01 0.16 0.00 0.00 1.07 0.00 0.00 27.48 29.73 1x3c h GLN 43 CO 0.08 -0.48 0.37 -2.95 -2.65 0.00 0.00 178.83 173.20 1x3c h ASN 44 N -1.19 0.00 0.80 -0.69 7.08 -1.99 0.81 115.58 120.40 1x3c h ASN 44 Ca -0.08 0.00 -0.23 0.00 -3.08 0.00 0.00 56.30 52.91 1x3c h ASN 44 Cb 0.57 0.00 -0.04 0.00 -2.08 0.00 0.00 38.32 36.78 1x3c h ASN 44 CO 0.13 0.00 -1.29 0.25 -2.08 0.00 0.00 177.43 174.43 1x3c h LEU 45 N 0.00 0.00 0.92 6.14 5.85 -1.43 -3.32 115.31 123.47 1x3c h LEU 45 Ca 0.00 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 1x3c h LEU 45 Cb 0.75 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.78 1x3c h LEU 45 CO 0.00 0.91 -0.45 0.40 -0.34 0.00 0.00 178.44 178.96 1x3c h ILE 46 N 0.00 0.08 -0.89 4.05 2.04 0.92 -2.87 117.51 120.84 1x3c h ILE 46 Ca -0.14 0.00 0.18 0.00 1.00 0.00 0.00 64.86 65.91 1x3c h ILE 46 Cb 1.82 0.08 -0.11 0.00 -0.74 0.00 0.00 36.82 37.87 1x3c h ILE 46 CO 0.09 0.00 0.44 -0.07 0.00 0.00 0.00 178.15 178.62 1x3c h LEU 47 N -1.25 0.48 -0.66 1.44 -0.00 -1.72 -0.51 115.31 113.09 1x3c h LEU 47 Ca -0.13 0.12 0.14 0.00 -0.00 0.00 0.00 57.88 58.01 1x3c h LEU 47 Cb 0.96 0.05 -0.11 0.00 -0.00 0.00 0.00 40.66 41.56 1x3c h LEU 47 CO 0.20 0.13 -0.01 -0.74 -0.00 0.00 0.00 178.44 178.03 1x3c h HIS 48 N 0.55 -0.06 0.00 1.13 -0.00 -1.61 2.11 115.15 117.26 1x3c h HIS 48 Ca 0.52 0.05 -0.05 0.00 -0.00 0.00 0.00 60.37 60.89 1x3c h HIS 48 Cb 0.87 0.13 -0.01 0.00 -0.00 0.00 0.00 27.41 28.40 1x3c h HIS 48 CO -0.10 -0.19 -0.25 1.88 -0.00 0.00 0.00 177.93 179.27 1x3c h TYR 49 N 0.11 0.00 0.00 5.26 0.05 -0.98 0.27 116.97 121.68 1x3c h TYR 49 Ca 0.35 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.13 1x3c h TYR 49 Cb 0.58 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.32 1x3c h TYR 49 CO -0.39 0.25 -0.82 1.04 -1.05 0.00 0.00 178.16 177.18 1x3c n GLN 50 N -3.72 0.12 -0.06 4.88 6.02 0.15 -1.71 117.38 123.07 1x3c n GLN 50 Ca -0.01 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 56.96 1x3c n GLN 50 Cb 0.36 -1.54 -0.16 0.00 1.02 0.00 0.00 30.24 29.92 1x3c n GLN 50 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1x3c n ALA 51 N -1.64 2.01 -0.11 -1.58 0.00 0.67 -3.44 120.51 116.43 1x3c n ALA 51 Ca 0.04 -0.99 -0.17 0.00 0.00 0.00 0.00 53.44 52.32 1x3c n ALA 51 Cb 0.38 -0.39 -0.06 0.00 0.00 0.00 0.00 19.45 19.38 1x3c n ALA 51 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1x3c n VAL 52 N -2.54 1.50 -0.92 0.00 0.31 0.90 -4.54 118.33 113.04 1x3c n VAL 52 Ca -0.21 -0.04 0.07 0.00 -0.01 0.00 0.00 64.34 64.15 1x3c n VAL 52 Cb 0.91 -2.17 0.39 0.00 -0.91 0.00 0.00 33.84 32.06 1x3c n VAL 52 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1x3c n HIS 53 N -4.41 1.99 -2.97 3.52 8.25 -1.05 -4.93 115.22 115.64 1x3c n HIS 53 Ca -0.28 -0.76 -0.21 0.00 -0.26 0.00 0.00 57.72 56.21 1x3c n HIS 53 Cb 0.63 -0.50 -0.04 0.00 1.12 0.00 0.00 29.99 31.19 1x3c n HIS 53 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1x3c n LYS 54 N 0.48 -0.94 -4.07 -0.41 4.01 -1.12 -4.79 118.16 111.32 1x3c n LYS 54 Ca 0.28 0.07 -0.10 0.00 -0.51 0.00 0.00 58.31 58.04 1x3c n LYS 54 Cb 1.18 -2.44 -0.07 0.00 -0.51 0.00 0.00 35.03 33.19 1x3c n LYS 54 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 1x3c s SER 55 N -2.08 0.01 1.06 4.39 0.01 -0.70 -4.92 113.70 111.48 1x3c s SER 55 Ca 0.40 -1.10 -0.09 0.00 1.31 0.00 0.00 55.95 56.48 1x3c s SER 55 Cb -0.23 0.49 0.13 0.00 0.21 0.00 0.00 66.02 66.61 1x3c s SER 55 CO 0.49 -1.00 0.57 0.47 0.41 0.00 0.00 173.24 174.18 1x3c n ASP 56 N -0.32 -0.77 -4.39 2.44 8.00 -1.26 -2.52 116.55 117.73 1x3c n ASP 56 Ca -0.01 -1.01 -0.23 0.00 0.71 0.00 0.00 54.79 54.25 1x3c n ASP 56 Cb 0.64 -0.48 -0.11 0.00 -0.02 0.00 0.00 41.12 41.15 1x3c n ASP 56 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 1x3c s LEU 57 N 0.00 2.49 -0.02 0.64 0.05 -1.26 -4.86 118.68 115.71 1x3c s LEU 57 Ca 0.34 -0.92 -0.24 0.00 0.05 0.00 0.00 54.13 53.36 1x3c s LEU 57 Cb -0.02 -0.95 -0.18 0.00 -2.05 0.00 0.00 46.19 42.98 1x3c s LEU 57 CO 0.25 0.00 1.15 1.55 -0.55 0.00 0.00 176.35 178.75 1x3c h PRO 58 N 2.93 -0.16 -5.01 1.48 0.13 -2.02 -3.43 132.00 125.92 1x3c h PRO 58 Ca -0.42 0.01 -0.44 0.00 -0.87 0.00 0.00 66.00 64.27 1x3c h PRO 58 Cb 1.22 0.04 -0.10 0.00 0.13 0.00 0.00 31.00 32.29 1x3c h PRO 58 CO 0.54 0.26 1.86 0.00 -0.23 0.00 0.00 178.00 180.43 1x3c n ALA 59 N -2.44 0.62 -1.15 -0.56 0.00 -1.26 -4.67 120.51 111.05 1x3c n ALA 59 Ca -0.09 -0.49 -0.45 0.00 0.00 0.00 0.00 53.44 52.41 1x3c n ALA 59 Cb 0.26 -2.33 -0.06 0.00 0.00 0.00 0.00 19.45 17.31 1x3c n ALA 59 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1x3c n PHE 60 N 8.67 0.79 -3.99 0.00 3.72 -1.26 -4.88 117.46 120.50 1x3c n PHE 60 Ca 0.66 0.79 0.02 0.00 -0.05 0.00 0.00 57.45 58.87 1x3c n PHE 60 Cb 0.08 -1.54 0.01 0.00 -0.94 0.00 0.00 39.48 37.09 1x3c n PHE 60 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1x3c s SER 61 N 0.88 0.01 0.30 4.37 0.15 -1.26 -5.19 113.70 112.95 1x3c s SER 61 Ca 0.69 -0.29 -0.05 0.00 0.70 0.00 0.00 55.95 57.01 1x3c s SER 61 Cb -0.98 0.20 0.02 0.00 -1.71 0.00 0.00 66.02 63.56 1x3c s SER 61 CO 0.48 -0.41 0.49 0.00 1.20 0.00 0.00 173.24 175.00 1x3c n ALA 62 N -0.89 -0.67 -2.54 5.45 0.00 -1.26 -5.12 120.51 115.49 1x3c n ALA 62 Ca 0.03 -1.26 -0.40 0.00 0.00 0.00 0.00 53.44 51.81 1x3c n ALA 62 Cb 0.58 1.01 -0.10 0.00 0.00 0.00 0.00 19.45 20.94 1x3c n ALA 62 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1x3c s GLU 63 N -2.48 3.54 -0.15 0.00 -1.05 -1.26 -5.05 118.70 112.25 1x3c s GLU 63 Ca 0.21 -0.58 -0.10 0.00 -0.15 0.00 0.00 54.97 54.35 1x3c s GLU 63 Cb -0.02 -3.80 0.05 0.00 -0.44 0.00 0.00 34.13 29.92 1x3c s GLU 63 CO 0.15 -0.44 0.38 0.14 0.95 0.00 0.00 175.26 176.44 1x3c s VAL 64 N 1.78 -0.02 -0.28 1.83 -7.23 -1.26 -5.05 120.40 110.17 1x3c s VAL 64 Ca 0.07 0.07 0.15 0.00 -1.81 0.00 0.00 61.98 60.46 1x3c s VAL 64 Cb -0.17 -0.56 0.48 0.00 0.56 0.00 0.00 36.38 36.69 1x3c s VAL 64 CO 0.11 0.03 1.14 -0.62 -0.31 0.00 0.00 175.10 175.45 1x3c n GLU 65 N 3.80 2.62 -3.61 4.82 -0.58 -1.26 -5.08 120.64 121.35 1x3c n GLU 65 Ca -0.20 -3.83 -0.34 0.00 -0.42 0.00 0.00 57.16 52.37 1x3c n GLU 65 Cb 0.56 -1.92 -0.05 0.00 -0.57 0.00 0.00 31.44 29.45 1x3c n GLU 65 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1x3c s GLU 66 N -3.68 3.71 -0.11 3.49 8.01 -1.26 -5.09 118.70 123.76 1x3c s GLU 66 Ca 0.38 0.09 -0.02 0.00 0.01 0.00 0.00 54.97 55.44 1x3c s GLU 66 Cb 0.37 -2.96 0.04 0.00 -4.31 0.00 0.00 34.13 27.26 1x3c s GLU 66 CO -0.01 0.54 0.01 -2.00 0.01 0.00 0.00 175.26 173.82 1x3c s GLU 67 N -2.08 0.64 -0.96 1.61 2.56 -1.26 -5.07 118.70 114.14 1x3c s GLU 67 Ca 0.35 -0.06 -0.25 0.00 0.00 0.00 0.00 54.97 55.00 1x3c s GLU 67 Cb -0.13 -1.35 -0.13 0.00 2.00 0.00 0.00 34.13 34.52 1x3c s GLU 67 CO 0.19 -0.41 2.14 -1.12 -0.56 0.00 0.00 175.26 175.50 1x3c s SER 68 N 1.94 4.27 -0.24 -1.70 0.01 -1.26 -4.87 113.70 111.84 1x3c s SER 68 Ca 0.03 -0.68 0.01 0.00 1.31 0.00 0.00 55.95 56.63 1x3c s SER 68 Cb -0.14 -2.57 0.06 0.00 0.21 0.00 0.00 66.02 63.58 1x3c s SER 68 CO -0.06 -3.69 -0.06 -0.83 0.41 0.00 0.00 173.24 169.01 1x3c s GLY 69 N 8.85 1.35 1.22 3.44 0.00 -1.26 -5.04 107.32 115.88 1x3c s GLY 69 Ca 0.80 -1.43 -0.20 0.00 0.00 0.00 0.00 44.72 43.89 1x3c s GLY 69 CO 0.09 0.89 1.11 2.56 0.00 0.00 0.00 173.10 177.75 1x3c s PRO 70 N 1.35 -1.37 -0.06 2.90 0.04 -1.26 -5.03 135.00 131.57 1x3c s PRO 70 Ca -0.06 -0.11 -0.15 0.00 0.04 0.00 0.00 61.00 60.72 1x3c s PRO 70 Cb -0.19 -1.58 -0.05 0.00 0.04 0.00 0.00 34.50 32.72 1x3c s PRO 70 CO -0.06 -3.80 0.38 0.45 0.04 0.00 0.00 177.00 174.01 1x3c s SER 71 N -3.93 6.68 -0.14 6.66 0.15 -1.26 -5.01 113.70 116.85 1x3c s SER 71 Ca 0.71 0.81 -0.11 0.00 0.70 0.00 0.00 55.95 58.06 1x3c s SER 71 Cb -0.09 -2.23 -0.08 0.00 -1.71 0.00 0.00 66.02 61.91 1x3c s SER 71 CO 0.56 0.21 0.06 -1.28 1.20 0.00 0.00 173.24 174.00 1x3c h SER 72 N 5.55 0.00 0.00 5.45 0.87 -2.08 -3.58 113.55 119.77 1x3c h SER 72 Ca -0.47 -0.22 0.00 0.00 -1.23 0.00 0.00 61.79 59.87 1x3c h SER 72 Cb 1.20 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 1x3c h SER 72 CO 0.67 0.86 0.00 0.61 -0.53 0.00 0.00 176.83 178.44