#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 -0.12 0.19 1.61 0.15 -1.26 -5.18 113.70 109.10 1x3c s SER 2 Ca 0.00 -0.11 -0.07 0.00 0.70 0.00 0.00 55.95 56.47 1x3c s SER 2 Cb 0.00 0.32 -0.02 0.00 -1.71 0.00 0.00 66.02 64.61 1x3c s SER 2 CO 0.00 -0.52 0.28 -0.94 1.20 0.00 0.00 173.24 173.26 1x3c s SER 3 N -1.71 0.05 0.00 5.45 1.04 -1.26 -5.12 113.70 112.16 1x3c s SER 3 Ca -0.09 -1.04 0.00 0.00 0.48 0.00 0.00 55.95 55.30 1x3c s SER 3 Cb -0.03 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.54 1x3c s SER 3 CO 0.00 -0.93 0.00 0.61 0.98 0.00 0.00 173.24 173.90 1x3c n GLY 4 N -0.26 -0.91 3.42 7.32 0.00 -1.26 -5.05 105.19 108.45 1x3c n GLY 4 Ca -0.03 0.32 -0.20 0.00 0.00 0.00 0.00 46.02 46.10 1x3c n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x3c n SER 5 N -0.67 -4.45 -4.77 1.61 7.64 -1.26 -4.96 113.62 106.76 1x3c n SER 5 Ca 0.00 -0.54 -0.37 0.00 1.01 0.00 0.00 58.87 58.97 1x3c n SER 5 Cb 0.00 -4.85 -0.01 0.00 -1.01 0.00 0.00 64.21 58.34 1x3c n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x3c s SER 6 N -3.72 6.17 0.27 6.43 0.15 -1.26 -5.04 113.70 116.69 1x3c s SER 6 Ca 0.33 2.30 0.08 0.00 0.70 0.00 0.00 55.95 59.35 1x3c s SER 6 Cb -0.14 -2.60 -0.04 0.00 -1.71 0.00 0.00 66.02 61.53 1x3c s SER 6 CO 0.69 -0.92 0.16 -0.83 1.20 0.00 0.00 173.24 173.54 1x3c s GLY 7 N -1.38 1.54 -0.08 9.45 0.00 -1.26 -5.13 107.32 110.46 1x3c s GLY 7 Ca 0.64 -1.52 0.02 0.00 0.00 0.00 0.00 44.72 43.86 1x3c s GLY 7 CO 0.34 -1.55 -0.15 0.50 0.00 0.00 0.00 173.10 172.24 1x3c s ARG 8 N -3.82 2.07 -0.27 2.90 1.81 -1.26 -5.12 118.95 115.26 1x3c s ARG 8 Ca 0.34 -0.53 -0.06 0.00 -1.72 0.00 0.00 55.73 53.76 1x3c s ARG 8 Cb -0.07 -1.69 -0.00 0.00 -0.45 0.00 0.00 34.95 32.73 1x3c s ARG 8 CO 0.24 0.02 0.05 0.21 -0.68 0.00 0.00 175.30 175.14 1x3c s LYS 9 N 0.72 3.30 -0.06 3.54 2.47 -1.26 -5.09 119.74 123.36 1x3c s LYS 9 Ca -0.13 -0.71 0.06 0.00 -1.56 0.00 0.00 55.97 53.63 1x3c s LYS 9 Cb -0.16 -3.29 -0.01 0.00 -1.46 0.00 0.00 37.83 32.91 1x3c s LYS 9 CO 0.03 -0.33 -0.25 0.21 0.16 0.00 0.00 175.35 175.18 1x3c s LYS 10 N 1.53 2.63 1.01 4.03 2.20 -1.26 -5.13 119.74 124.74 1x3c s LYS 10 Ca 0.04 -0.90 -0.12 0.00 -0.36 0.00 0.00 55.97 54.63 1x3c s LYS 10 Cb -0.16 -2.19 0.19 0.00 -1.51 0.00 0.00 37.83 34.16 1x3c s LYS 10 CO 0.02 0.36 1.09 -1.25 -0.36 0.00 0.00 175.35 175.21 1x3c s PRO 11 N -0.10 0.35 -0.03 4.03 0.04 -1.26 -5.04 135.00 132.99 1x3c s PRO 11 Ca -0.05 0.50 -0.05 0.00 0.04 0.00 0.00 61.00 61.43 1x3c s PRO 11 Cb -0.14 -1.73 -0.03 0.00 0.04 0.00 0.00 34.50 32.64 1x3c s PRO 11 CO 0.04 -2.78 -0.11 0.28 0.04 0.00 0.00 177.00 174.47 1x3c n VAL 12 N -4.21 0.92 -3.28 -0.36 0.31 -1.26 -5.03 118.33 105.42 1x3c n VAL 12 Ca 0.05 0.12 -0.21 0.00 -0.01 0.00 0.00 64.34 64.29 1x3c n VAL 12 Cb 0.57 -1.73 0.06 0.00 -0.91 0.00 0.00 33.84 31.83 1x3c n VAL 12 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1x3c n SER 13 N -3.60 -5.84 -4.69 4.52 7.64 -1.26 -4.94 113.62 105.45 1x3c n SER 13 Ca -0.10 -0.40 -0.38 0.00 1.01 0.00 0.00 58.87 59.00 1x3c n SER 13 Cb 0.38 -4.54 0.05 0.00 -1.01 0.00 0.00 64.21 59.09 1x3c n SER 13 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1x3c n GLN 14 N -4.22 1.27 -1.37 1.43 7.27 -1.26 -4.98 117.38 115.52 1x3c n GLN 14 Ca -0.03 0.48 -0.29 0.00 0.07 0.00 0.00 57.00 57.23 1x3c n GLN 14 Cb 0.57 -2.40 0.15 0.00 2.41 0.00 0.00 30.24 30.98 1x3c n GLN 14 CO 0.00 0.00 0.00 -1.12 0.07 0.00 0.00 177.06 176.01 1x3c s SER 15 N -1.12 3.23 -0.27 1.69 0.01 -1.26 -4.88 113.70 111.10 1x3c s SER 15 Ca 0.75 1.12 -0.36 0.00 1.31 0.00 0.00 55.95 58.78 1x3c s SER 15 Cb -0.42 -1.76 -0.12 0.00 0.21 0.00 0.00 66.02 63.94 1x3c s SER 15 CO 0.47 -2.74 2.04 0.18 0.41 0.00 0.00 173.24 173.60 1x3c n LEU 16 N -3.91 2.53 -0.50 2.44 4.32 -1.26 -4.76 117.00 115.85 1x3c n LEU 16 Ca 0.06 0.65 0.41 0.00 -0.02 0.00 0.00 56.01 57.11 1x3c n LEU 16 Cb 0.58 -1.28 0.67 0.00 -1.62 0.00 0.00 43.42 41.77 1x3c n LEU 16 CO 0.57 -0.52 1.21 -1.84 -1.22 0.00 0.00 177.39 175.59 1x3c n GLU 17 N 7.37 -0.02 -3.45 3.23 0.28 -1.26 -3.14 120.64 123.64 1x3c n GLU 17 Ca 0.34 1.13 -0.43 0.00 -0.16 0.00 0.00 57.16 58.04 1x3c n GLU 17 Cb 0.24 -2.32 -0.07 0.00 1.43 0.00 0.00 31.44 30.72 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 -5.02 3.38 -0.32 -1.84 0.08 -1.26 -4.91 117.98 108.08 1x3c s PHE 18 Ca -0.06 -1.69 0.26 0.00 0.12 0.00 0.00 56.93 55.56 1x3c s PHE 18 Cb 0.28 -3.62 1.10 0.00 -0.57 0.00 0.00 43.02 40.20 1x3c s PHE 18 CO 0.78 -1.00 1.79 -1.00 -0.10 0.00 0.00 175.22 175.69 1x3c h PRO 19 N 8.54 0.00 -6.95 0.24 0.13 -1.95 -3.44 132.00 128.56 1x3c h PRO 19 Ca -0.22 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.41 1x3c h PRO 19 Cb 1.08 0.00 0.22 0.00 0.13 0.00 0.00 31.00 32.42 1x3c h PRO 19 CO 0.92 0.00 -0.37 -2.37 -0.23 0.00 0.00 178.00 175.95 1x3c n THR 20 N -2.46 0.00 -0.36 1.56 5.66 -1.26 -4.85 114.28 112.56 1x3c n THR 20 Ca 0.02 -0.21 -0.04 0.00 -3.05 0.00 0.00 64.05 60.77 1x3c n THR 20 Cb 0.24 -0.79 0.01 0.00 -1.55 0.00 0.00 70.33 68.25 1x3c n THR 20 CO 0.00 0.00 0.00 -0.09 -3.05 0.00 0.00 175.07 171.93 1x3c h ARG 21 N -1.98 -0.03 -3.29 1.09 2.43 -2.05 -3.41 114.38 107.14 1x3c h ARG 21 Ca -0.49 0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 58.51 1x3c h ARG 21 Cb 1.30 0.01 -0.25 0.00 -0.42 0.00 0.00 29.97 30.61 1x3c h ARG 21 CO 0.40 -0.02 -0.48 1.52 -1.51 0.00 0.00 179.97 179.88 1x3c s TYR 22 N -5.87 -0.17 -0.36 2.20 -0.85 -1.26 -5.12 117.35 105.92 1x3c s TYR 22 Ca -0.14 0.39 -0.29 0.00 -0.52 0.00 0.00 57.07 56.52 1x3c s TYR 22 Cb 0.18 0.05 0.02 0.00 0.38 0.00 0.00 41.96 42.59 1x3c s TYR 22 CO 0.69 -0.15 1.17 -1.54 -1.52 0.00 0.00 175.55 174.20 1x3c s SER 23 N -0.25 6.74 0.43 -0.18 1.04 -1.26 -4.89 113.70 115.33 1x3c s SER 23 Ca -0.03 0.92 0.30 0.00 0.48 0.00 0.00 55.95 57.61 1x3c s SER 23 Cb -0.03 -2.54 1.23 0.00 0.10 0.00 0.00 66.02 64.78 1x3c s SER 23 CO 0.01 -1.07 1.88 1.55 0.98 0.00 0.00 173.24 176.58 1x3c h PRO 24 N 8.88 0.00 -6.21 4.02 0.13 -1.99 -3.44 132.00 133.39 1x3c h PRO 24 Ca -0.23 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.39 1x3c h PRO 24 Cb 1.07 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 1x3c h PRO 24 CO 1.06 0.00 -0.37 -0.47 -0.23 0.00 0.00 178.00 177.99 1x3c s TYR 25 N -3.53 3.48 -0.35 1.56 5.04 -1.26 -5.09 117.35 117.20 1x3c s TYR 25 Ca 0.02 0.20 -0.00 0.00 -2.44 0.00 0.00 57.07 54.85 1x3c s TYR 25 Cb 0.09 -1.74 0.12 0.00 0.35 0.00 0.00 41.96 40.78 1x3c s TYR 25 CO 0.47 0.39 0.17 1.03 -1.34 0.00 0.00 175.55 176.27 1x3c s ARG 26 N -3.59 0.73 -0.02 4.97 1.81 -1.26 -4.86 118.95 116.73 1x3c s ARG 26 Ca 0.37 -1.28 -0.25 0.00 -1.72 0.00 0.00 55.73 52.84 1x3c s ARG 26 Cb -0.10 -1.77 -0.19 0.00 -0.45 0.00 0.00 34.95 32.43 1x3c s ARG 26 CO 0.30 -1.09 1.23 -1.00 -0.68 0.00 0.00 175.30 174.05 1x3c h PRO 27 N 7.54 -0.06 -6.53 3.54 0.13 -1.92 -3.42 132.00 131.28 1x3c h PRO 27 Ca -0.07 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.50 1x3c h PRO 27 Cb 0.98 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 32.07 1x3c h PRO 27 CO 0.42 0.40 1.07 0.71 -0.23 0.00 0.00 178.00 180.38 1x3c s TYR 28 N -4.22 2.39 -0.02 1.56 1.51 -1.20 -4.99 117.35 112.38 1x3c s TYR 28 Ca -0.15 0.67 0.03 0.00 -1.01 0.00 0.00 57.07 56.60 1x3c s TYR 28 Cb 0.02 -4.32 -0.00 0.00 -0.11 0.00 0.00 41.96 37.55 1x3c s TYR 28 CO 0.64 -1.99 -0.11 -0.98 -1.11 0.00 0.00 175.55 172.00 1x3c s ARG 29 N 4.97 1.06 0.51 -0.62 1.70 -1.26 -0.40 118.95 124.91 1x3c s ARG 29 Ca 0.61 -0.38 -0.22 0.00 -0.47 0.00 0.00 55.73 55.27 1x3c s ARG 29 Cb -0.13 -0.99 -0.07 0.00 -0.57 0.00 0.00 34.95 33.18 1x3c s ARG 29 CO 0.33 0.18 1.07 0.00 -1.08 0.00 0.00 175.30 175.80 1x3c n VAL 31 N -1.02 1.11 -1.18 0.00 0.24 -1.26 -4.78 118.33 111.43 1x3c n VAL 31 Ca 0.11 -0.72 -0.37 0.00 -2.04 0.00 0.00 64.34 61.32 1x3c n VAL 31 Cb 0.43 -0.58 0.01 0.00 -1.47 0.00 0.00 33.84 32.23 1x3c n VAL 31 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 1x3c n HIS 32 N -2.77 -2.68 -2.49 6.34 -0.00 -1.26 -4.82 115.22 107.54 1x3c n HIS 32 Ca -0.16 0.44 -0.41 0.00 -0.00 0.00 0.00 57.72 57.59 1x3c n HIS 32 Cb 0.91 -1.60 0.01 0.00 -0.00 0.00 0.00 29.99 29.31 1x3c n HIS 32 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 176.34 177.28 1x3c n GLN 33 N 1.41 4.82 0.00 1.57 7.27 -1.26 -4.15 117.38 127.04 1x3c n GLN 33 Ca 0.08 -4.17 0.00 0.00 0.07 0.00 0.00 57.00 52.97 1x3c n GLN 33 Cb 0.44 -2.58 0.00 0.00 2.41 0.00 0.00 30.24 30.51 1x3c n GLN 33 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1x3c n GLY 34 N 1.03 0.00 0.95 1.69 0.00 -1.26 -5.07 105.19 102.52 1x3c n GLY 34 Ca 0.47 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.47 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 -3.35 -1.78 -4.41 0.00 3.01 -1.26 -5.04 117.46 104.64 1x3c n PHE 36 Ca -0.03 0.74 -0.23 0.00 1.01 0.00 0.00 57.45 58.94 1x3c n PHE 36 Cb 0.29 -4.34 -0.10 0.00 -0.01 0.00 0.00 39.48 35.31 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 -3.29 2.42 -0.29 4.37 0.00 -1.26 -5.03 121.76 118.68 1x3c s ALA 37 Ca 0.06 -1.72 -0.19 0.00 0.00 0.00 0.00 51.96 50.11 1x3c s ALA 37 Cb -0.01 -0.22 0.15 0.00 0.00 0.00 0.00 23.12 23.04 1x3c s ALA 37 CO 0.58 0.25 1.04 0.00 0.00 0.00 0.00 175.76 177.63 1x3c s ALA 38 N -2.40 -2.23 0.45 0.00 0.00 -1.26 -0.84 121.76 115.48 1x3c s ALA 38 Ca 0.24 2.07 0.03 0.00 0.00 0.00 0.00 51.96 54.31 1x3c s ALA 38 Cb -0.05 -1.67 -0.03 0.00 0.00 0.00 0.00 23.12 21.37 1x3c s ALA 38 CO 0.11 -0.30 0.04 -0.06 0.00 0.00 0.00 175.76 175.55 1x3c s PHE 39 N 0.95 1.96 -0.13 0.00 0.08 0.47 -4.96 117.98 116.35 1x3c s PHE 39 Ca -0.05 -1.00 0.12 0.00 0.12 0.00 0.00 56.93 56.12 1x3c s PHE 39 Cb -0.04 -1.48 -0.24 0.00 -0.57 0.00 0.00 43.02 40.70 1x3c s PHE 39 CO -0.12 0.10 0.34 2.41 -0.10 0.00 0.00 175.22 177.84 1x3c n THR 40 N -1.06 1.54 -3.99 0.64 -1.04 -1.26 -3.24 114.28 105.87 1x3c n THR 40 Ca -0.11 -0.79 -0.36 0.00 -2.04 0.00 0.00 64.05 60.75 1x3c n THR 40 Cb 0.66 -0.93 -0.07 0.00 -1.82 0.00 0.00 70.33 68.17 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 -2.55 5.19 0.26 12.58 1.01 -1.26 -4.83 121.20 131.60 1x3c s ILE 41 Ca -0.11 0.09 -0.00 0.00 0.00 0.00 0.00 60.65 60.63 1x3c s ILE 41 Cb 0.07 -3.26 0.07 0.00 0.01 0.00 0.00 42.46 39.35 1x3c s ILE 41 CO 0.80 0.59 1.70 -0.61 0.00 0.00 0.00 174.94 177.43 1x3c h GLN 42 N 5.24 0.62 0.51 2.79 -0.00 -1.99 -2.98 115.11 119.30 1x3c h GLN 42 Ca -0.52 -0.23 -0.03 0.00 -0.00 0.00 0.00 58.65 57.88 1x3c h GLN 42 Cb 1.21 -0.04 0.01 0.00 0.00 0.00 0.00 27.48 28.66 1x3c h GLN 42 CO 0.59 0.78 -0.25 0.37 0.00 0.00 0.00 178.83 180.33 1x3c h GLN 43 N 0.55 -0.66 0.00 1.69 5.75 -2.01 -2.24 115.11 118.19 1x3c h GLN 43 Ca 0.08 0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.63 1x3c h GLN 43 Cb 0.65 0.15 0.00 0.00 1.07 0.00 0.00 27.48 29.35 1x3c h GLN 43 CO 0.05 -0.37 0.09 0.09 -2.65 0.00 0.00 178.83 176.04 1x3c n ASN 44 N -5.32 0.21 0.01 -0.69 5.03 -1.21 0.02 115.26 113.31 1x3c n ASN 44 Ca -0.11 0.54 -0.02 0.00 0.87 0.00 0.00 54.58 55.86 1x3c n ASN 44 Cb 0.32 -0.55 -0.10 0.00 -1.02 0.00 0.00 39.78 38.43 1x3c n ASN 44 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.26 175.32 1x3c n LEU 45 N -1.76 0.77 -0.15 3.41 7.94 -0.89 -3.73 117.00 122.60 1x3c n LEU 45 Ca -0.01 0.34 -0.09 0.00 -1.11 0.00 0.00 56.01 55.15 1x3c n LEU 45 Cb 0.11 0.12 0.00 0.00 0.53 0.00 0.00 43.42 44.17 1x3c n LEU 45 CO 0.04 0.20 0.94 0.40 -1.11 0.00 0.00 177.39 177.86 1x3c h ILE 46 N 0.00 1.20 -0.36 1.96 2.04 0.10 -2.88 117.51 119.57 1x3c h ILE 46 Ca -0.20 -0.59 -0.12 0.00 1.00 0.00 0.00 64.86 64.94 1x3c h ILE 46 Cb 1.68 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 38.52 1x3c h ILE 46 CO 0.05 0.22 -0.26 -0.07 0.00 0.00 0.00 178.15 178.09 1x3c h LEU 47 N 0.56 0.76 -0.94 1.44 -0.00 -1.72 -3.11 115.31 112.31 1x3c h LEU 47 Ca 0.15 -0.29 0.27 0.00 -0.00 0.00 0.00 57.88 58.01 1x3c h LEU 47 Cb 0.17 -0.21 -0.17 0.00 -0.00 0.00 0.00 40.66 40.46 1x3c h LEU 47 CO -0.01 0.98 0.14 -0.74 -0.00 0.00 0.00 178.44 178.81 1x3c h HIS 48 N 0.64 0.17 0.00 1.13 -0.00 -1.59 1.91 115.15 117.41 1x3c h HIS 48 Ca 0.08 0.06 -0.08 0.00 -0.00 0.00 0.00 60.37 60.43 1x3c h HIS 48 Cb 0.77 0.08 -0.01 0.00 -0.00 0.00 0.00 27.41 28.25 1x3c h HIS 48 CO 0.04 -0.36 -0.38 1.88 -0.00 0.00 0.00 177.93 179.12 1x3c h TYR 49 N 0.08 0.00 0.00 5.26 -1.99 -1.59 0.21 116.97 118.93 1x3c h TYR 49 Ca 0.60 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.33 1x3c h TYR 49 Cb 1.27 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.00 1x3c h TYR 49 CO -0.37 0.38 -0.69 1.96 -0.00 0.00 0.00 178.16 179.44 1x3c h GLN 50 N 0.00 0.00 0.00 4.88 4.20 0.35 0.18 115.11 124.71 1x3c h GLN 50 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1x3c h GLN 50 Cb 0.84 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.62 1x3c h GLN 50 CO 0.05 0.00 -1.95 0.00 -0.67 0.00 0.00 178.83 176.25 1x3c n ALA 51 N -2.04 2.82 -0.08 3.87 0.00 0.36 -3.37 120.51 122.08 1x3c n ALA 51 Ca 0.02 -0.51 -0.14 0.00 0.00 0.00 0.00 53.44 52.80 1x3c n ALA 51 Cb 0.51 -0.76 -0.05 0.00 0.00 0.00 0.00 19.45 19.15 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 -2.26 1.30 -1.03 0.00 0.31 0.70 -4.66 118.33 112.69 1x3c n VAL 52 Ca -0.04 -0.03 0.03 0.00 -0.01 0.00 0.00 64.34 64.29 1x3c n VAL 52 Cb 0.57 -1.98 0.30 0.00 -0.91 0.00 0.00 33.84 31.82 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 -4.09 1.63 -3.50 3.52 8.25 -0.54 -4.94 115.22 115.55 1x3c n HIS 53 Ca -0.25 -0.99 -0.26 0.00 -0.26 0.00 0.00 57.72 55.96 1x3c n HIS 53 Cb 0.59 -0.48 -0.05 0.00 1.12 0.00 0.00 29.99 31.17 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 -0.20 -0.85 -3.96 -0.41 4.01 -0.50 -4.82 118.16 111.45 1x3c n LYS 54 Ca 0.29 0.08 -0.09 0.00 -0.51 0.00 0.00 58.31 58.08 1x3c n LYS 54 Cb 1.11 -2.85 -0.05 0.00 -0.51 0.00 0.00 35.03 32.73 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 -2.77 -0.10 0.40 4.39 0.01 0.50 -4.88 113.70 111.25 1x3c s SER 55 Ca 0.41 -0.85 -0.15 0.00 1.31 0.00 0.00 55.95 56.67 1x3c s SER 55 Cb -0.24 0.57 -0.08 0.00 0.21 0.00 0.00 66.02 66.48 1x3c s SER 55 CO 0.65 -1.11 0.83 -0.62 0.41 0.00 0.00 173.24 173.40 1x3c s ASP 56 N -2.99 6.70 0.46 2.44 -1.08 -1.26 -1.56 116.67 119.38 1x3c s ASP 56 Ca 0.20 1.35 -0.21 0.00 -0.52 0.00 0.00 52.55 53.37 1x3c s ASP 56 Cb -0.00 -2.41 -0.09 0.00 -1.46 0.00 0.00 42.92 38.96 1x3c s ASP 56 CO 0.06 -0.36 1.02 -1.48 0.52 0.00 0.00 175.17 174.94 1x3c s LEU 57 N -3.47 3.90 -0.02 -1.34 2.34 -1.26 -4.98 118.68 113.85 1x3c s LEU 57 Ca 0.55 1.90 -0.24 0.00 0.06 0.00 0.00 54.13 56.40 1x3c s LEU 57 Cb -0.10 -4.51 -0.18 0.00 -0.56 0.00 0.00 46.19 40.84 1x3c s LEU 57 CO 0.23 -0.66 1.15 1.55 -1.06 0.00 0.00 176.35 177.56 1x3c h PRO 58 N 1.75 -0.16 -5.14 1.48 0.13 -2.01 -3.45 132.00 124.61 1x3c h PRO 58 Ca -0.49 0.01 -0.75 0.00 -0.87 0.00 0.00 66.00 63.90 1x3c h PRO 58 Cb 1.21 0.04 0.01 0.00 0.13 0.00 0.00 31.00 32.39 1x3c h PRO 58 CO 0.60 0.27 0.58 0.00 -0.23 0.00 0.00 178.00 179.22 1x3c n ALA 59 N -2.44 -1.21 0.00 -0.56 0.00 -1.26 -4.86 120.51 110.19 1x3c n ALA 59 Ca -0.09 0.43 -0.00 0.00 0.00 0.00 0.00 53.44 53.78 1x3c n ALA 59 Cb 0.26 -1.64 -0.00 0.00 0.00 0.00 0.00 19.45 18.06 1x3c n ALA 59 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1x3c h PHE 60 N 4.24 -0.01 -6.72 0.00 0.04 -2.05 -3.45 116.94 108.99 1x3c h PHE 60 Ca -0.38 -0.00 -0.44 0.00 2.80 0.00 0.00 57.97 59.95 1x3c h PHE 60 Cb 1.17 0.00 -0.10 0.00 2.20 0.00 0.00 35.95 39.23 1x3c h PHE 60 CO 0.56 -0.01 -0.71 -1.13 -0.60 0.00 0.00 178.31 176.42 1x3c n SER 61 N -2.19 -0.64 -0.81 2.17 3.41 -1.26 -4.74 113.62 109.56 1x3c n SER 61 Ca -0.00 -0.92 0.02 0.00 -0.26 0.00 0.00 58.87 57.70 1x3c n SER 61 Cb 0.00 -1.13 0.10 0.00 -0.26 0.00 0.00 64.21 62.92 1x3c n SER 61 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1x3c n ALA 62 N -3.69 2.82 -1.61 7.33 0.00 -1.26 -4.15 120.51 119.95 1x3c n ALA 62 Ca -0.18 -0.48 -0.35 0.00 0.00 0.00 0.00 53.44 52.43 1x3c n ALA 62 Cb 0.46 -1.03 0.06 0.00 0.00 0.00 0.00 19.45 18.94 1x3c n ALA 62 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1x3c n GLU 63 N 0.15 2.81 -3.94 0.00 0.28 -1.26 -4.98 120.64 113.70 1x3c n GLU 63 Ca 0.07 -3.48 -0.32 0.00 -0.16 0.00 0.00 57.16 53.27 1x3c n GLU 63 Cb 0.46 -2.28 -0.05 0.00 1.43 0.00 0.00 31.44 31.00 1x3c n GLU 63 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1x3c s VAL 64 N -4.92 5.27 -0.55 3.84 1.01 -1.26 -5.06 120.40 118.73 1x3c s VAL 64 Ca 0.59 -0.33 0.06 0.00 0.00 0.00 0.00 61.98 62.31 1x3c s VAL 64 Cb 0.48 -3.51 0.23 0.00 0.00 0.00 0.00 36.38 33.58 1x3c s VAL 64 CO -0.14 0.23 0.60 1.21 0.00 0.00 0.00 175.10 177.01 1x3c n GLU 65 N 0.66 1.64 -1.46 2.72 4.07 -1.26 -5.10 120.64 121.91 1x3c n GLU 65 Ca -0.08 -4.06 -0.53 0.00 -0.06 0.00 0.00 57.16 52.42 1x3c n GLU 65 Cb 0.52 -1.89 -0.05 0.00 -0.06 0.00 0.00 31.44 29.95 1x3c n GLU 65 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1x3c n GLU 66 N 1.39 0.09 -3.68 5.31 1.02 -1.26 -4.97 120.64 118.55 1x3c n GLU 66 Ca 0.26 0.03 -0.14 0.00 -0.02 0.00 0.00 57.16 57.29 1x3c n GLU 66 Cb 0.44 -1.31 -0.08 0.00 -0.02 0.00 0.00 31.44 30.48 1x3c n GLU 66 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1x3c s GLU 67 N -0.49 0.72 -0.05 3.49 2.12 -1.26 -5.12 118.70 118.12 1x3c s GLU 67 Ca 0.77 0.35 -0.38 0.00 0.36 0.00 0.00 54.97 56.07 1x3c s GLU 67 Cb -1.08 0.34 -0.16 0.00 0.26 0.00 0.00 34.13 33.49 1x3c s GLU 67 CO 0.56 -0.16 1.53 -1.13 -0.54 0.00 0.00 175.26 175.52 1x3c n SER 68 N 1.93 2.12 0.00 -1.70 3.41 -1.26 -4.91 113.62 113.21 1x3c n SER 68 Ca -0.17 1.09 0.00 0.00 -0.26 0.00 0.00 58.87 59.53 1x3c n SER 68 Cb 0.56 -1.20 0.00 0.00 -0.26 0.00 0.00 64.21 63.31 1x3c n SER 68 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x3c n GLY 69 N 3.29 -0.01 0.79 5.00 0.00 -1.26 -5.18 105.19 107.83 1x3c n GLY 69 Ca 0.21 0.73 -0.07 0.00 0.00 0.00 0.00 46.02 46.90 1x3c n GLY 69 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x3c n PRO 70 N 0.00 -1.51 -3.96 1.61 -0.04 -1.26 -5.10 135.00 124.74 1x3c n PRO 70 Ca 0.00 -0.39 -0.09 0.00 -0.04 0.00 0.00 63.50 62.97 1x3c n PRO 70 Cb 0.00 -0.37 -0.10 0.00 -0.04 0.00 0.00 33.50 32.99 1x3c n PRO 70 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1x3c s SER 71 N -2.17 0.22 -0.16 3.54 1.04 -1.26 -5.09 113.70 109.82 1x3c s SER 71 Ca 0.16 -0.50 -0.12 0.00 0.48 0.00 0.00 55.95 55.96 1x3c s SER 71 Cb -0.02 0.15 -0.05 0.00 0.10 0.00 0.00 66.02 66.20 1x3c s SER 71 CO 0.12 -0.38 -0.20 -1.20 0.98 0.00 0.00 173.24 172.57 1x3c n SER 72 N 1.29 1.85 0.00 7.02 7.64 -1.26 -5.34 113.62 124.82 1x3c n SER 72 Ca -0.22 0.54 0.00 0.00 1.01 0.00 0.00 58.87 60.20 1x3c n SER 72 Cb 0.56 -0.84 0.00 0.00 -1.01 0.00 0.00 64.21 62.92 1x3c n SER 72 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64