#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 -0.44 0.18 1.61 0.15 -1.26 -5.09 113.70 108.86 1x3c s SER 2 Ca 0.00 0.41 0.00 0.00 0.70 0.00 0.00 55.95 57.06 1x3c s SER 2 Cb 0.00 0.37 0.00 0.00 -1.71 0.00 0.00 66.02 64.68 1x3c s SER 2 CO 0.00 -0.45 0.00 -0.24 1.20 0.00 0.00 173.24 173.75 1x3c n SER 3 N 0.61 0.23 0.00 5.45 2.88 -1.26 -5.18 113.62 116.35 1x3c n SER 3 Ca -0.12 0.30 0.00 0.00 -1.33 0.00 0.00 58.87 57.72 1x3c n SER 3 Cb 0.58 0.12 0.00 0.00 -0.75 0.00 0.00 64.21 64.17 1x3c n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x3c n GLY 4 N 2.18 2.14 2.88 0.46 0.00 -1.26 -5.05 105.19 106.54 1x3c n GLY 4 Ca 0.00 -1.99 -0.11 0.00 0.00 0.00 0.00 46.02 43.92 1x3c n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x3c s SER 5 N 0.00 0.52 -0.17 1.61 0.15 -1.26 -5.14 113.70 109.41 1x3c s SER 5 Ca 0.00 0.03 -0.28 0.00 0.70 0.00 0.00 55.95 56.41 1x3c s SER 5 Cb 0.00 0.97 0.07 0.00 -1.71 0.00 0.00 66.02 65.35 1x3c s SER 5 CO 0.00 -0.32 0.69 -0.55 1.20 0.00 0.00 173.24 174.27 1x3c s SER 6 N 2.50 -0.70 -0.35 5.45 0.15 -1.26 -5.13 113.70 114.36 1x3c s SER 6 Ca 0.11 1.09 -0.03 0.00 0.70 0.00 0.00 55.95 57.82 1x3c s SER 6 Cb -0.15 1.02 0.19 0.00 -1.71 0.00 0.00 66.02 65.37 1x3c s SER 6 CO -0.18 -0.42 0.91 -0.83 1.20 0.00 0.00 173.24 173.92 1x3c s GLY 7 N -0.36 -1.46 -0.41 9.45 0.00 -1.26 -5.12 107.32 108.16 1x3c s GLY 7 Ca -0.05 0.90 -0.05 0.00 0.00 0.00 0.00 44.72 45.52 1x3c s GLY 7 CO 0.05 4.09 0.22 0.50 0.00 0.00 0.00 173.10 177.96 1x3c s ARG 8 N 1.90 2.20 0.04 2.90 1.81 -1.26 -5.08 118.95 121.46 1x3c s ARG 8 Ca 0.15 -1.72 0.05 0.00 -1.72 0.00 0.00 55.73 52.49 1x3c s ARG 8 Cb 0.01 -3.64 -0.03 0.00 -0.45 0.00 0.00 34.95 30.83 1x3c s ARG 8 CO -0.12 -1.05 -0.10 -1.59 -0.68 0.00 0.00 175.30 171.76 1x3c s LYS 9 N 1.23 2.34 0.03 3.54 -2.85 -1.26 -5.13 119.74 117.64 1x3c s LYS 9 Ca 0.06 -0.85 0.03 0.00 -1.00 0.00 0.00 55.97 54.21 1x3c s LYS 9 Cb -0.23 -2.38 -0.02 0.00 -2.06 0.00 0.00 37.83 33.14 1x3c s LYS 9 CO -0.02 0.56 -0.10 0.15 0.10 0.00 0.00 175.35 176.04 1x3c s LYS 10 N -1.61 0.67 0.21 1.78 3.01 -1.26 -5.13 119.74 117.41 1x3c s LYS 10 Ca 0.18 -0.65 -0.30 0.00 -1.01 0.00 0.00 55.97 54.19 1x3c s LYS 10 Cb -0.11 -0.59 -0.09 0.00 -1.01 0.00 0.00 37.83 36.03 1x3c s LYS 10 CO 0.09 0.14 1.29 -1.25 0.51 0.00 0.00 175.35 176.13 1x3c s PRO 11 N -1.12 4.40 -0.47 -1.68 0.04 -1.26 -5.01 135.00 129.90 1x3c s PRO 11 Ca -0.03 2.04 0.03 0.00 0.04 0.00 0.00 61.00 63.09 1x3c s PRO 11 Cb -0.08 -3.19 0.13 0.00 0.04 0.00 0.00 34.50 31.41 1x3c s PRO 11 CO 0.01 -0.22 0.24 0.08 0.04 0.00 0.00 177.00 177.15 1x3c s VAL 12 N -0.06 1.89 -0.73 -0.36 1.01 -1.26 -5.06 120.40 115.84 1x3c s VAL 12 Ca 0.55 -2.85 -0.25 0.00 0.00 0.00 0.00 61.98 59.43 1x3c s VAL 12 Cb -0.36 -2.32 -0.15 0.00 0.00 0.00 0.00 36.38 33.55 1x3c s VAL 12 CO 0.39 -0.85 2.46 -0.24 0.00 0.00 0.00 175.10 176.86 1x3c n SER 13 N 3.39 1.33 0.18 3.32 2.88 -1.26 -4.80 113.62 118.67 1x3c n SER 13 Ca 0.07 -0.57 -0.08 0.00 -1.33 0.00 0.00 58.87 56.96 1x3c n SER 13 Cb 0.34 -1.34 -0.04 0.00 -0.75 0.00 0.00 64.21 62.42 1x3c n SER 13 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 1x3c h GLN 14 N 15.51 -0.50 -6.46 -1.46 5.75 -2.04 -3.46 115.11 122.45 1x3c h GLN 14 Ca -0.12 0.03 -0.52 0.00 -0.15 0.00 0.00 58.65 57.90 1x3c h GLN 14 Cb 1.21 0.11 0.23 0.00 1.07 0.00 0.00 27.48 30.10 1x3c h GLN 14 CO 1.23 -0.33 -1.28 -1.13 -2.65 0.00 0.00 178.83 174.67 1x3c n SER 15 N -4.71 -3.32 -4.39 -0.69 3.41 -1.26 -4.95 113.62 97.70 1x3c n SER 15 Ca -0.06 0.16 -0.36 0.00 -0.26 0.00 0.00 58.87 58.35 1x3c n SER 15 Cb 0.20 -0.95 -0.13 0.00 -0.26 0.00 0.00 64.21 63.07 1x3c n SER 15 CO 0.00 0.00 0.00 -1.48 -0.16 0.00 0.00 175.04 173.40 1x3c s LEU 16 N 2.38 3.24 0.26 1.04 2.34 -1.26 -4.98 118.68 121.71 1x3c s LEU 16 Ca 0.50 -0.29 0.11 0.00 0.06 0.00 0.00 54.13 54.50 1x3c s LEU 16 Cb -0.15 -1.85 0.85 0.00 -0.56 0.00 0.00 46.19 44.49 1x3c s LEU 16 CO 0.71 -0.03 1.18 -1.84 -1.06 0.00 0.00 176.35 175.30 1x3c n GLU 17 N 4.87 -0.05 -2.29 1.48 0.28 -1.26 -4.29 120.64 119.38 1x3c n GLU 17 Ca -0.17 1.06 -0.38 0.00 -0.16 0.00 0.00 57.16 57.52 1x3c n GLU 17 Cb 0.51 -1.83 -0.02 0.00 1.43 0.00 0.00 31.44 31.54 1x3c n GLU 17 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 1x3c s PHE 18 N -5.32 2.99 0.21 -1.84 0.40 -1.26 -4.95 117.98 108.20 1x3c s PHE 18 Ca -0.08 1.55 -0.02 0.00 -0.60 0.00 0.00 56.93 57.78 1x3c s PHE 18 Cb 0.24 -3.37 0.19 0.00 0.51 0.00 0.00 43.02 40.59 1x3c s PHE 18 CO 0.58 -1.37 1.57 -1.00 0.70 0.00 0.00 175.22 175.70 1x3c h PRO 19 N 2.35 0.57 0.00 0.24 0.13 -1.97 -3.46 132.00 129.86 1x3c h PRO 19 Ca -0.49 -0.30 -0.42 0.00 -0.87 0.00 0.00 66.00 63.92 1x3c h PRO 19 Cb 1.24 0.01 -0.08 0.00 0.13 0.00 0.00 31.00 32.30 1x3c h PRO 19 CO 0.61 0.89 -0.31 0.25 -0.23 0.00 0.00 178.00 179.22 1x3c n THR 20 N -4.02 0.00 -1.39 1.56 -2.24 -1.26 -5.05 114.28 101.88 1x3c n THR 20 Ca -0.02 -1.54 -0.08 0.00 -2.27 0.00 0.00 64.05 60.15 1x3c n THR 20 Cb 0.53 0.34 0.20 0.00 -2.10 0.00 0.00 70.33 69.30 1x3c n THR 20 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1x3c n ARG 21 N -0.78 1.98 -3.83 -0.78 -4.01 -1.26 -5.00 116.66 102.98 1x3c n ARG 21 Ca -0.12 -3.15 -0.06 0.00 -1.04 0.00 0.00 57.85 53.48 1x3c n ARG 21 Cb 0.41 -1.89 -0.02 0.00 -3.04 0.00 0.00 32.46 27.92 1x3c n ARG 21 CO 0.00 0.00 0.00 1.52 -3.04 0.00 0.00 177.63 176.11 1x3c s TYR 22 N -3.24 -0.17 -0.40 2.89 1.13 -1.26 -5.13 117.35 111.16 1x3c s TYR 22 Ca 0.47 -0.25 -0.09 0.00 -1.41 0.00 0.00 57.07 55.78 1x3c s TYR 22 Cb 0.42 0.69 0.06 0.00 -1.10 0.00 0.00 41.96 42.04 1x3c s TYR 22 CO 0.02 -1.14 0.24 -1.12 -2.51 0.00 0.00 175.55 171.04 1x3c s SER 23 N -2.93 5.64 0.10 -0.18 0.01 -1.26 -4.96 113.70 110.13 1x3c s SER 23 Ca 0.11 -1.36 -0.15 0.00 1.31 0.00 0.00 55.95 55.86 1x3c s SER 23 Cb -0.05 -1.99 -0.08 0.00 0.21 0.00 0.00 66.02 64.11 1x3c s SER 23 CO 0.06 -0.49 1.42 1.55 0.41 0.00 0.00 173.24 176.19 1x3c h PRO 24 N 8.41 0.70 -6.36 12.44 0.13 -2.02 -3.43 132.00 141.87 1x3c h PRO 24 Ca -0.24 -0.37 -0.54 0.00 -0.87 0.00 0.00 66.00 63.98 1x3c h PRO 24 Cb 1.09 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 1x3c h PRO 24 CO 0.73 0.98 0.88 -0.47 -0.23 0.00 0.00 178.00 179.89 1x3c s TYR 25 N -4.37 2.72 -0.25 1.56 6.14 -1.26 -5.00 117.35 116.89 1x3c s TYR 25 Ca -0.12 0.72 0.01 0.00 0.64 0.00 0.00 57.07 58.32 1x3c s TYR 25 Cb 0.09 -3.71 0.06 0.00 0.42 0.00 0.00 41.96 38.82 1x3c s TYR 25 CO 0.83 -2.69 -0.05 1.03 0.64 0.00 0.00 175.55 175.31 1x3c s ARG 26 N 2.65 1.71 0.00 4.97 3.00 -1.26 -4.80 118.95 125.21 1x3c s ARG 26 Ca 0.65 -1.14 0.16 0.00 0.00 0.00 0.00 55.73 55.40 1x3c s ARG 26 Cb -0.32 -2.68 0.93 0.00 0.00 0.00 0.00 34.95 32.88 1x3c s ARG 26 CO 0.27 -0.63 1.34 -0.35 0.00 0.00 0.00 175.30 175.92 1x3c n PRO 27 N 4.59 0.49 -4.67 3.54 -0.04 -1.26 -4.59 135.00 133.07 1x3c n PRO 27 Ca -0.11 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.03 1x3c n PRO 27 Cb 0.43 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.23 1x3c n PRO 27 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1x3c s TYR 28 N -2.00 2.69 -0.04 0.54 1.51 -1.19 -5.08 117.35 113.79 1x3c s TYR 28 Ca 0.23 -1.25 0.01 0.00 -1.01 0.00 0.00 57.07 55.06 1x3c s TYR 28 Cb 0.11 -1.83 0.02 0.00 -0.11 0.00 0.00 41.96 40.15 1x3c s TYR 28 CO 0.18 -0.56 -0.04 1.03 -1.11 0.00 0.00 175.55 175.05 1x3c s ARG 29 N 0.78 0.67 0.26 -0.62 3.00 -1.26 -2.46 118.95 119.32 1x3c s ARG 29 Ca -0.07 -0.07 -0.31 0.00 0.00 0.00 0.00 55.73 55.28 1x3c s ARG 29 Cb -0.16 -0.71 -0.12 0.00 0.00 0.00 0.00 34.95 33.96 1x3c s ARG 29 CO -0.01 -0.07 1.56 0.00 0.00 0.00 0.00 175.30 176.78 1x3c h VAL 31 N 3.33 0.95 -2.06 0.00 -1.51 -1.92 -3.46 116.25 111.58 1x3c h VAL 31 Ca -0.46 -2.59 -0.55 0.00 -1.23 0.00 0.00 66.70 61.87 1x3c h VAL 31 Cb 1.24 2.71 0.23 0.00 -2.13 0.00 0.00 31.29 33.33 1x3c h VAL 31 CO 0.81 0.83 -1.74 1.41 -1.23 0.00 0.00 177.57 177.65 1x3c n HIS 32 N -3.50 -4.83 -3.09 5.19 8.25 -1.26 -4.89 115.22 111.09 1x3c n HIS 32 Ca -0.23 0.02 -0.39 0.00 -0.26 0.00 0.00 57.72 56.86 1x3c n HIS 32 Cb 1.06 -1.47 -0.06 0.00 1.12 0.00 0.00 29.99 30.64 1x3c n HIS 32 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 1x3c s GLN 33 N -1.96 4.42 -0.99 -0.41 0.74 -1.26 -3.93 119.66 116.27 1x3c s GLN 33 Ca 0.43 0.95 -0.02 0.00 0.05 0.00 0.00 55.36 56.76 1x3c s GLN 33 Cb -0.22 -3.31 0.00 0.00 1.10 0.00 0.00 33.01 30.59 1x3c s GLN 33 CO 0.80 0.45 0.30 0.41 -0.55 0.00 0.00 175.29 176.71 1x3c n GLY 34 N 2.06 -0.08 2.63 2.59 0.00 -1.26 -4.99 105.19 106.14 1x3c n GLY 34 Ca -0.06 -0.25 -0.28 0.00 0.00 0.00 0.00 46.02 45.43 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 3.02 3.08 -3.97 0.00 3.01 -1.26 -4.52 117.46 116.82 1x3c n PHE 36 Ca 0.18 -3.00 -0.34 0.00 1.01 0.00 0.00 57.45 55.29 1x3c n PHE 36 Cb 0.39 -2.48 -0.14 0.00 -0.01 0.00 0.00 39.48 37.24 1x3c n PHE 36 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1x3c s ALA 37 N 2.52 2.68 -0.15 4.37 0.00 -1.26 -5.05 121.76 124.87 1x3c s ALA 37 Ca 0.55 -1.46 0.01 0.00 0.00 0.00 0.00 51.96 51.06 1x3c s ALA 37 Cb 0.15 -1.66 0.02 0.00 0.00 0.00 0.00 23.12 21.63 1x3c s ALA 37 CO -0.07 -0.80 -0.17 0.00 0.00 0.00 0.00 175.76 174.72 1x3c s ALA 38 N 1.32 1.97 0.29 0.00 0.00 -1.26 -1.72 121.76 122.36 1x3c s ALA 38 Ca 0.00 -0.96 0.10 0.00 0.00 0.00 0.00 51.96 51.11 1x3c s ALA 38 Cb -0.17 -1.03 -0.05 0.00 0.00 0.00 0.00 23.12 21.88 1x3c s ALA 38 CO -0.05 -0.27 -0.09 -0.06 0.00 0.00 0.00 175.76 175.29 1x3c s PHE 39 N 1.26 2.47 -0.20 0.00 0.08 -1.03 -4.98 117.98 115.59 1x3c s PHE 39 Ca 0.01 -0.34 -0.13 0.00 0.12 0.00 0.00 56.93 56.60 1x3c s PHE 39 Cb -0.14 -1.19 -0.20 0.00 -0.57 0.00 0.00 43.02 40.93 1x3c s PHE 39 CO -0.08 0.63 0.12 2.41 -0.10 0.00 0.00 175.22 178.20 1x3c n THR 40 N -0.78 1.61 -3.39 0.64 -1.04 -1.26 -3.15 114.28 106.90 1x3c n THR 40 Ca -0.05 -0.35 -0.38 0.00 -2.04 0.00 0.00 64.05 61.23 1x3c n THR 40 Cb 0.60 -1.85 -0.06 0.00 -1.82 0.00 0.00 70.33 67.21 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 -2.47 5.12 0.34 12.58 1.01 -1.26 -4.64 121.20 131.88 1x3c s ILE 41 Ca -0.29 0.89 0.06 0.00 0.00 0.00 0.00 60.65 61.31 1x3c s ILE 41 Cb 0.08 -3.77 0.30 0.00 0.01 0.00 0.00 42.46 39.08 1x3c s ILE 41 CO 0.63 0.42 1.89 -0.61 0.00 0.00 0.00 174.94 177.28 1x3c h GLN 42 N 5.96 0.78 0.74 2.79 -0.00 -1.99 -2.31 115.11 121.09 1x3c h GLN 42 Ca -0.45 -0.05 -0.04 0.00 -0.00 0.00 0.00 58.65 58.12 1x3c h GLN 42 Cb 1.19 -0.18 0.01 0.00 0.00 0.00 0.00 27.48 28.50 1x3c h GLN 42 CO 0.70 0.52 -0.36 0.37 0.00 0.00 0.00 178.83 180.06 1x3c h GLN 43 N 0.80 -0.96 0.00 1.69 5.75 -2.01 -2.31 115.11 118.07 1x3c h GLN 43 Ca 0.42 0.07 0.00 0.00 -0.15 0.00 0.00 58.65 58.99 1x3c h GLN 43 Cb 0.52 0.22 0.00 0.00 1.07 0.00 0.00 27.48 29.29 1x3c h GLN 43 CO -0.19 -0.64 0.37 -0.91 -2.65 0.00 0.00 178.83 174.82 1x3c h ASN 44 N -1.14 0.00 0.83 -0.69 2.35 -1.92 0.81 115.58 115.82 1x3c h ASN 44 Ca -0.10 0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 55.43 1x3c h ASN 44 Cb 0.77 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.10 1x3c h ASN 44 CO 0.17 0.00 -1.26 0.25 -1.65 0.00 0.00 177.43 174.94 1x3c h LEU 45 N 0.00 0.00 0.79 1.61 5.85 -0.97 -3.33 115.31 119.26 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 41.79 1x3c h LEU 45 CO 0.00 0.88 -0.38 0.40 -0.34 0.00 0.00 178.44 179.00 1x3c h ILE 46 N 0.00 0.00 -0.84 4.05 2.04 0.12 -3.02 117.51 119.86 1x3c h ILE 46 Ca -0.13 -0.02 0.21 0.00 1.00 0.00 0.00 64.86 65.92 1x3c h ILE 46 Cb 1.79 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 37.74 1x3c h ILE 46 CO 0.09 0.00 0.18 -0.07 0.00 0.00 0.00 178.15 178.35 1x3c h LEU 47 N -1.09 -0.07 -0.97 1.44 -0.00 -1.73 0.25 115.31 113.15 1x3c h LEU 47 Ca -0.11 0.19 0.31 0.00 -0.00 0.00 0.00 57.88 58.27 1x3c h LEU 47 Cb 0.82 0.27 -0.15 0.00 -0.00 0.00 0.00 40.66 41.60 1x3c h LEU 47 CO 0.18 -0.14 0.46 -0.74 -0.00 0.00 0.00 178.44 178.20 1x3c h HIS 48 N 0.20 0.74 0.00 1.13 -0.00 -1.64 1.72 115.15 117.30 1x3c h HIS 48 Ca 0.51 0.04 -0.09 0.00 -0.00 0.00 0.00 60.37 60.83 1x3c h HIS 48 Cb 0.98 -0.17 -0.01 0.00 -0.00 0.00 0.00 27.41 28.21 1x3c h HIS 48 CO -0.30 -0.22 -0.43 1.88 -0.00 0.00 0.00 177.93 178.86 1x3c h TYR 49 N 0.26 0.00 0.00 5.26 -1.99 -0.49 0.49 116.97 120.50 1x3c h TYR 49 Ca 0.69 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.42 1x3c h TYR 49 Cb 1.56 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.29 1x3c h TYR 49 CO -0.09 0.43 -0.82 1.04 -0.00 0.00 0.00 178.16 178.72 1x3c n GLN 50 N -3.56 0.22 -0.06 4.88 6.02 0.49 0.07 117.38 125.44 1x3c n GLN 50 Ca -0.00 0.02 -0.03 0.00 -0.01 0.00 0.00 57.00 56.98 1x3c n GLN 50 Cb 0.55 -1.59 -0.16 0.00 1.02 0.00 0.00 30.24 30.06 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 -1.75 1.94 -0.11 -1.58 0.00 0.41 -3.30 120.51 116.13 1x3c n ALA 51 Ca 0.03 -1.01 -0.19 0.00 0.00 0.00 0.00 53.44 52.27 1x3c n ALA 51 Cb 0.41 -0.43 -0.06 0.00 0.00 0.00 0.00 19.45 19.37 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 -2.61 1.48 0.50 0.00 0.31 0.14 -4.65 118.33 113.51 1x3c n VAL 52 Ca -0.22 -0.11 0.11 0.00 -0.01 0.00 0.00 64.34 64.12 1x3c n VAL 52 Cb 0.95 -2.10 -0.02 0.00 -0.91 0.00 0.00 33.84 31.75 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 -4.32 0.24 -3.89 3.52 8.25 -0.90 -4.98 115.22 113.14 1x3c n HIS 53 Ca -0.33 0.07 -0.29 0.00 -0.26 0.00 0.00 57.72 56.91 1x3c n HIS 53 Cb 0.68 -0.43 0.03 0.00 1.12 0.00 0.00 29.99 31.39 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 -2.00 -5.58 -4.26 -0.41 5.02 0.11 -4.92 118.16 106.11 1x3c n LYS 54 Ca 0.01 0.61 -0.22 0.00 -2.02 0.00 0.00 58.31 56.68 1x3c n LYS 54 Cb 0.45 -5.48 -0.07 0.00 -0.02 0.00 0.00 35.03 29.91 1x3c n LYS 54 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1x3c n SER 55 N -2.86 0.49 -4.94 4.39 2.88 -0.89 -4.91 113.62 107.78 1x3c n SER 55 Ca 0.02 -3.11 -0.24 0.00 -1.33 0.00 0.00 58.87 54.20 1x3c n SER 55 Cb 0.54 1.24 -0.02 0.00 -0.75 0.00 0.00 64.21 65.22 1x3c n SER 55 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1x3c s ASP 56 N -3.36 6.32 0.67 -3.46 2.15 -1.26 -3.98 116.67 113.75 1x3c s ASP 56 Ca 0.27 0.42 -0.18 0.00 0.43 0.00 0.00 52.55 53.50 1x3c s ASP 56 Cb 0.01 -2.02 -0.00 0.00 -0.30 0.00 0.00 42.92 40.61 1x3c s ASP 56 CO 0.19 -0.22 1.28 0.18 -0.17 0.00 0.00 175.17 176.43 1x3c n LEU 57 N -1.50 5.87 0.01 -1.34 7.99 -1.26 -4.96 117.00 121.81 1x3c n LEU 57 Ca -0.05 0.80 -0.13 0.00 -0.01 0.00 0.00 56.01 56.63 1x3c n LEU 57 Cb 0.56 -1.55 -0.09 0.00 -0.11 0.00 0.00 43.42 42.22 1x3c n LEU 57 CO 0.48 -1.08 0.60 1.55 -1.51 0.00 0.00 177.39 177.44 1x3c h PRO 58 N 0.38 -0.06 -1.23 3.23 0.13 -2.04 -3.47 132.00 128.93 1x3c h PRO 58 Ca -0.50 0.00 0.16 0.00 -0.87 0.00 0.00 66.00 64.79 1x3c h PRO 58 Cb 1.34 0.01 -0.31 0.00 0.13 0.00 0.00 31.00 32.17 1x3c h PRO 58 CO 0.52 0.40 0.69 0.00 -0.23 0.00 0.00 178.00 179.38 1x3c s ALA 59 N -4.26 -2.36 -0.29 -0.56 0.00 -1.26 -5.18 121.76 107.86 1x3c s ALA 59 Ca -0.15 1.91 -0.21 0.00 0.00 0.00 0.00 51.96 53.50 1x3c s ALA 59 Cb 0.02 -1.79 0.15 0.00 0.00 0.00 0.00 23.12 21.49 1x3c s ALA 59 CO 0.64 -0.24 1.12 0.12 0.00 0.00 0.00 175.76 177.40 1x3c s PHE 60 N 0.65 -0.38 -0.69 0.00 5.36 -1.26 -5.11 117.98 116.55 1x3c s PHE 60 Ca -0.02 0.85 0.05 0.00 -0.96 0.00 0.00 56.93 56.86 1x3c s PHE 60 Cb -0.04 0.35 0.17 0.00 -0.34 0.00 0.00 43.02 43.16 1x3c s PHE 60 CO -0.12 -0.19 0.50 -1.13 -1.46 0.00 0.00 175.22 172.82 1x3c n SER 61 N 2.63 2.85 -4.48 6.13 3.41 -1.26 -5.07 113.62 117.83 1x3c n SER 61 Ca -0.14 -3.17 -0.23 0.00 -0.26 0.00 0.00 58.87 55.07 1x3c n SER 61 Cb 0.57 -0.75 -0.11 0.00 -0.26 0.00 0.00 64.21 63.66 1x3c n SER 61 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1x3c s ALA 62 N -1.42 2.49 -1.64 7.33 0.00 -1.26 -4.78 121.76 122.48 1x3c s ALA 62 Ca 0.26 -2.09 -0.02 0.00 0.00 0.00 0.00 51.96 50.11 1x3c s ALA 62 Cb -0.03 0.54 0.00 0.00 0.00 0.00 0.00 23.12 23.63 1x3c s ALA 62 CO -0.17 -0.26 0.21 -1.91 0.00 0.00 0.00 175.76 173.63 1x3c n GLU 63 N -0.72 -2.73 -2.27 0.00 2.13 -1.26 -4.89 120.64 110.90 1x3c n GLU 63 Ca -0.03 0.94 -0.10 0.00 0.66 0.00 0.00 57.16 58.64 1x3c n GLU 63 Cb 0.66 -5.62 0.05 0.00 0.27 0.00 0.00 31.44 26.80 1x3c n GLU 63 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1x3c n VAL 64 N -4.18 1.78 -0.01 6.31 0.31 -1.26 -4.81 118.33 116.46 1x3c n VAL 64 Ca -0.19 -3.37 0.01 0.00 -0.01 0.00 0.00 64.34 60.77 1x3c n VAL 64 Cb 0.66 0.16 0.19 0.00 -0.91 0.00 0.00 33.84 33.93 1x3c n VAL 64 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1x3c n GLU 65 N -0.61 2.76 -3.18 5.55 -0.58 -1.26 -4.89 120.64 118.44 1x3c n GLU 65 Ca 0.23 -1.62 -0.19 0.00 -0.42 0.00 0.00 57.16 55.16 1x3c n GLU 65 Cb 0.89 -1.84 -0.04 0.00 -0.57 0.00 0.00 31.44 29.87 1x3c n GLU 65 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 1x3c n GLU 66 N 0.19 -0.90 -3.69 3.49 -0.00 -1.26 -4.83 120.64 113.64 1x3c n GLU 66 Ca 0.18 0.06 -0.14 0.00 -0.00 0.00 0.00 57.16 57.26 1x3c n GLU 66 Cb 0.81 -2.17 -0.14 0.00 -0.00 0.00 0.00 31.44 29.95 1x3c n GLU 66 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 1x3c s GLU 67 N -4.54 0.13 0.29 3.44 2.56 -1.26 -5.16 118.70 114.17 1x3c s GLU 67 Ca 0.27 0.61 0.04 0.00 0.00 0.00 0.00 54.97 55.89 1x3c s GLU 67 Cb -0.16 -0.12 -0.03 0.00 2.00 0.00 0.00 34.13 35.82 1x3c s GLU 67 CO 0.51 -0.24 0.22 -1.54 -0.56 0.00 0.00 175.26 173.65 1x3c s SER 68 N 1.95 1.26 -0.24 -1.70 1.04 -1.26 -5.07 113.70 109.68 1x3c s SER 68 Ca -0.02 -1.63 -0.04 0.00 0.48 0.00 0.00 55.95 54.74 1x3c s SER 68 Cb -0.12 0.49 0.10 0.00 0.10 0.00 0.00 66.02 66.59 1x3c s SER 68 CO -0.08 -0.98 0.17 -0.83 0.98 0.00 0.00 173.24 172.51 1x3c s GLY 69 N -3.32 0.24 0.70 7.32 0.00 -1.26 -5.14 107.32 105.86 1x3c s GLY 69 Ca 0.39 -0.48 -0.13 0.00 0.00 0.00 0.00 44.72 44.49 1x3c s GLY 69 CO 0.22 2.11 1.10 2.56 0.00 0.00 0.00 173.10 179.09 1x3c s PRO 70 N 2.20 2.60 0.10 2.90 0.04 -1.26 -5.07 135.00 136.52 1x3c s PRO 70 Ca 0.07 1.31 0.08 0.00 0.04 0.00 0.00 61.00 62.50 1x3c s PRO 70 Cb -0.16 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.42 1x3c s PRO 70 CO -0.24 -1.40 -0.21 -1.54 0.04 0.00 0.00 177.00 173.65 1x3c s SER 71 N -2.88 2.51 -0.08 6.66 1.04 -1.26 -5.14 113.70 114.55 1x3c s SER 71 Ca 0.65 -0.69 -0.31 0.00 0.48 0.00 0.00 55.95 56.07 1x3c s SER 71 Cb -0.19 -0.14 0.12 0.00 0.10 0.00 0.00 66.02 65.91 1x3c s SER 71 CO 0.47 0.05 1.06 -0.55 0.98 0.00 0.00 173.24 175.24 1x3c s SER 72 N -1.94 -0.24 0.00 7.02 0.15 -1.26 -5.37 113.70 112.06 1x3c s SER 72 Ca 0.06 -0.03 0.32 0.00 0.70 0.00 0.00 55.95 57.00 1x3c s SER 72 Cb -0.10 0.27 1.89 0.00 -1.71 0.00 0.00 66.02 66.37 1x3c s SER 72 CO 0.04 -0.45 2.21 0.61 1.20 0.00 0.00 173.24 176.85