#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 -0.48 0.12 1.61 0.15 -1.26 -5.19 113.70 108.65 1x3c s SER 2 Ca 0.00 0.36 -0.26 0.00 0.70 0.00 0.00 55.95 56.75 1x3c s SER 2 Cb 0.00 0.42 0.07 0.00 -1.71 0.00 0.00 66.02 64.81 1x3c s SER 2 CO 0.00 -0.55 0.92 -0.94 1.20 0.00 0.00 173.24 173.87 1x3c s SER 3 N -1.62 -0.24 0.07 5.45 1.04 -1.26 -5.19 113.70 111.95 1x3c s SER 3 Ca -0.03 -0.29 0.02 0.00 0.48 0.00 0.00 55.95 56.13 1x3c s SER 3 Cb -0.00 0.47 -0.01 0.00 0.10 0.00 0.00 66.02 66.58 1x3c s SER 3 CO 0.00 -0.84 0.06 0.61 0.98 0.00 0.00 173.24 174.04 1x3c n GLY 4 N -0.41 3.81 3.44 7.32 0.00 -1.26 -5.18 105.19 112.91 1x3c n GLY 4 Ca -0.07 -1.75 -0.15 0.00 0.00 0.00 0.00 46.02 44.05 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 -1.50 -0.54 0.13 1.61 1.04 -1.26 -5.18 113.70 108.00 1x3c s SER 5 Ca 0.08 0.36 0.10 0.00 0.48 0.00 0.00 55.95 56.98 1x3c s SER 5 Cb 0.00 0.52 -0.04 0.00 0.10 0.00 0.00 66.02 66.60 1x3c s SER 5 CO 0.06 -0.70 -0.26 -0.94 0.98 0.00 0.00 173.24 172.37 1x3c s SER 6 N -1.75 3.17 -0.21 7.02 1.04 -1.26 -5.14 113.70 116.58 1x3c s SER 6 Ca -0.07 -0.74 -0.27 0.00 0.48 0.00 0.00 55.95 55.35 1x3c s SER 6 Cb -0.01 -0.21 0.11 0.00 0.10 0.00 0.00 66.02 66.02 1x3c s SER 6 CO 0.02 0.16 0.93 -0.83 0.98 0.00 0.00 173.24 174.49 1x3c s GLY 7 N -2.04 -0.30 0.18 7.32 0.00 -1.26 -5.18 107.32 106.03 1x3c s GLY 7 Ca 0.13 2.19 -0.24 0.00 0.00 0.00 0.00 44.72 46.80 1x3c s GLY 7 CO 0.06 1.45 0.89 1.09 0.00 0.00 0.00 173.10 176.58 1x3c s ARG 8 N -0.36 1.33 -0.30 2.90 1.04 -1.26 -5.16 118.95 117.14 1x3c s ARG 8 Ca -0.01 -0.72 -0.01 0.00 -1.04 0.00 0.00 55.73 53.95 1x3c s ARG 8 Cb -0.03 0.46 0.19 0.00 -2.04 0.00 0.00 34.95 33.53 1x3c s ARG 8 CO -0.00 -0.61 0.65 0.21 -0.04 0.00 0.00 175.30 175.50 1x3c s LYS 9 N -3.45 0.53 0.43 3.89 2.36 -1.26 -5.16 119.74 117.08 1x3c s LYS 9 Ca 0.11 0.86 -0.23 0.00 -2.55 0.00 0.00 55.97 54.16 1x3c s LYS 9 Cb -0.03 0.47 -0.08 0.00 -1.05 0.00 0.00 37.83 37.14 1x3c s LYS 9 CO 0.02 -0.65 1.11 0.15 1.55 0.00 0.00 175.35 177.54 1x3c s LYS 10 N 2.87 3.96 1.11 4.03 1.02 -1.26 -5.04 119.74 126.43 1x3c s LYS 10 Ca 0.17 1.65 -0.16 0.00 0.02 0.00 0.00 55.97 57.65 1x3c s LYS 10 Cb -0.14 -2.47 0.24 0.00 -0.52 0.00 0.00 37.83 34.94 1x3c s LYS 10 CO -0.21 -0.35 1.10 -1.25 -0.92 0.00 0.00 175.35 173.72 1x3c s PRO 11 N -2.60 -0.47 -0.12 -1.68 0.04 -1.26 -5.06 135.00 123.86 1x3c s PRO 11 Ca 0.61 0.21 0.00 0.00 0.04 0.00 0.00 61.00 61.85 1x3c s PRO 11 Cb -0.25 -1.66 -0.02 0.00 0.04 0.00 0.00 34.50 32.61 1x3c s PRO 11 CO 0.31 -3.27 -0.12 0.08 0.04 0.00 0.00 177.00 174.04 1x3c s VAL 12 N -2.98 3.15 -1.00 -0.36 1.01 -1.26 -5.06 120.40 113.90 1x3c s VAL 12 Ca 0.68 -0.64 -0.18 0.00 0.00 0.00 0.00 61.98 61.85 1x3c s VAL 12 Cb -0.14 -2.32 0.14 0.00 0.00 0.00 0.00 36.38 34.06 1x3c s VAL 12 CO 0.57 0.53 1.21 -0.44 0.00 0.00 0.00 175.10 176.97 1x3c s SER 13 N 0.16 6.72 -0.37 3.32 0.01 -1.26 -4.99 113.70 117.29 1x3c s SER 13 Ca -0.06 -2.23 -0.25 0.00 1.31 0.00 0.00 55.95 54.71 1x3c s SER 13 Cb -0.15 -2.41 0.01 0.00 0.21 0.00 0.00 66.02 63.69 1x3c s SER 13 CO 0.05 -1.01 0.90 -1.58 0.41 0.00 0.00 173.24 172.00 1x3c s GLN 14 N 2.54 3.83 0.46 12.44 -0.44 -1.26 -5.04 119.66 132.18 1x3c s GLN 14 Ca 0.35 0.53 0.08 0.00 -2.50 0.00 0.00 55.36 53.82 1x3c s GLN 14 Cb -0.04 -3.80 0.01 0.00 -1.64 0.00 0.00 33.01 27.54 1x3c s GLN 14 CO -0.07 -0.92 0.52 0.45 0.50 0.00 0.00 175.29 175.76 1x3c s SER 15 N 1.86 5.23 0.25 6.67 0.15 -1.26 -5.13 113.70 121.47 1x3c s SER 15 Ca 0.37 -0.70 0.06 0.00 0.70 0.00 0.00 55.95 56.38 1x3c s SER 15 Cb -0.12 -0.36 -0.03 0.00 -1.71 0.00 0.00 66.02 63.79 1x3c s SER 15 CO 0.18 -0.85 0.29 -0.76 1.20 0.00 0.00 173.24 173.31 1x3c s LEU 16 N -4.31 4.10 -0.02 3.45 1.43 -1.26 -5.03 118.68 117.04 1x3c s LEU 16 Ca 0.52 -0.07 0.03 0.00 -1.03 0.00 0.00 54.13 53.57 1x3c s LEU 16 Cb -0.06 -2.64 -0.04 0.00 0.03 0.00 0.00 46.19 43.48 1x3c s LEU 16 CO 0.31 -0.06 0.03 -0.62 0.23 0.00 0.00 176.35 176.23 1x3c n GLU 17 N -1.32 2.48 -1.08 1.70 1.02 -1.26 -5.05 120.64 117.12 1x3c n GLU 17 Ca -0.08 -0.01 -0.42 0.00 -0.02 0.00 0.00 57.16 56.62 1x3c n GLU 17 Cb 0.57 -1.07 -0.06 0.00 -0.02 0.00 0.00 31.44 30.87 1x3c n GLU 17 CO 0.00 0.00 0.00 1.97 1.18 0.00 0.00 177.13 180.28 1x3c n PHE 18 N -1.95 0.42 -0.03 -0.32 1.16 -1.26 -4.86 117.46 110.62 1x3c n PHE 18 Ca -0.03 0.76 -0.13 0.00 -1.87 0.00 0.00 57.45 56.18 1x3c n PHE 18 Cb 0.43 -1.51 -0.09 0.00 -1.61 0.00 0.00 39.48 36.70 1x3c n PHE 18 CO 0.00 0.00 0.00 -1.00 -1.87 0.00 0.00 176.76 173.89 1x3c h PRO 19 N 2.09 0.15 -4.33 3.97 0.13 -2.00 -3.45 132.00 128.56 1x3c h PRO 19 Ca -0.36 -0.08 -0.35 0.00 -0.87 0.00 0.00 66.00 64.34 1x3c h PRO 19 Cb 1.04 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 31.87 1x3c h PRO 19 CO 0.47 0.60 -0.76 -0.08 -0.23 0.00 0.00 178.00 177.99 1x3c s THR 20 N -4.27 0.49 0.57 1.56 -1.32 -1.26 -5.01 115.64 106.39 1x3c s THR 20 Ca -0.15 -0.23 0.37 0.00 -1.21 0.00 0.00 61.69 60.46 1x3c s THR 20 Cb 0.03 -0.43 0.54 0.00 -1.51 0.00 0.00 72.50 71.12 1x3c s THR 20 CO 0.71 0.15 1.69 0.08 -2.21 0.00 0.00 174.62 175.04 1x3c h ARG 21 N 6.23 0.00 -2.73 7.08 -0.00 -2.02 -3.39 114.38 119.56 1x3c h ARG 21 Ca -0.31 0.00 -0.12 0.00 -0.00 0.00 0.00 59.98 59.55 1x3c h ARG 21 Cb 1.18 0.00 -0.23 0.00 -0.00 0.00 0.00 29.97 30.92 1x3c h ARG 21 CO 0.50 0.00 -0.22 1.52 -0.00 0.00 0.00 179.97 181.77 1x3c s TYR 22 N -4.79 -0.44 -0.13 4.08 -0.85 -1.26 -5.15 117.35 108.80 1x3c s TYR 22 Ca -0.04 1.06 -0.12 0.00 -0.52 0.00 0.00 57.07 57.44 1x3c s TYR 22 Cb 0.21 0.16 -0.05 0.00 0.38 0.00 0.00 41.96 42.66 1x3c s TYR 22 CO 0.72 -0.25 0.26 0.45 -1.52 0.00 0.00 175.55 175.22 1x3c s SER 23 N 0.05 6.46 0.10 -0.18 0.15 -1.26 -5.00 113.70 114.02 1x3c s SER 23 Ca -0.01 0.55 -0.15 0.00 0.70 0.00 0.00 55.95 57.03 1x3c s SER 23 Cb -0.03 -2.16 -0.09 0.00 -1.71 0.00 0.00 66.02 62.03 1x3c s SER 23 CO 0.01 0.21 1.42 1.55 1.20 0.00 0.00 173.24 177.63 1x3c h PRO 24 N 6.01 0.70 -6.11 5.44 0.13 -2.01 -3.44 132.00 132.71 1x3c h PRO 24 Ca -0.46 -0.37 -0.65 0.00 -0.87 0.00 0.00 66.00 63.65 1x3c h PRO 24 Cb 1.18 0.01 -0.10 0.00 0.13 0.00 0.00 31.00 32.22 1x3c h PRO 24 CO 0.70 0.98 -0.60 -0.47 -0.23 0.00 0.00 178.00 178.38 1x3c s TYR 25 N -4.36 3.19 -0.12 1.56 6.14 -1.26 -5.11 117.35 117.39 1x3c s TYR 25 Ca -0.12 0.12 0.01 0.00 0.64 0.00 0.00 57.07 57.72 1x3c s TYR 25 Cb 0.09 -1.67 0.02 0.00 0.42 0.00 0.00 41.96 40.81 1x3c s TYR 25 CO 0.83 0.52 -0.12 1.03 0.64 0.00 0.00 175.55 178.45 1x3c s ARG 26 N -1.96 1.97 0.50 4.97 0.52 -1.26 -4.94 118.95 118.75 1x3c s ARG 26 Ca 0.25 -0.45 0.28 0.00 -0.52 0.00 0.00 55.73 55.29 1x3c s ARG 26 Cb -0.12 -1.82 1.20 0.00 0.52 0.00 0.00 34.95 34.73 1x3c s ARG 26 CO 0.16 -0.18 1.93 -1.00 0.02 0.00 0.00 175.30 176.24 1x3c h PRO 27 N 7.83 0.00 -4.95 3.54 0.13 -1.88 -3.41 132.00 133.26 1x3c h PRO 27 Ca -0.33 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.15 1x3c h PRO 27 Cb 1.15 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.11 1x3c h PRO 27 CO 0.48 0.13 -0.35 0.71 -0.23 0.00 0.00 178.00 178.73 1x3c s TYR 28 N -3.75 3.22 -0.04 1.56 2.02 -1.26 -5.06 117.35 114.04 1x3c s TYR 28 Ca 0.00 0.07 0.01 0.00 -0.37 0.00 0.00 57.07 56.78 1x3c s TYR 28 Cb 0.10 -2.57 0.02 0.00 -0.40 0.00 0.00 41.96 39.12 1x3c s TYR 28 CO 0.59 -0.33 -0.04 1.03 -1.57 0.00 0.00 175.55 175.23 1x3c s ARG 29 N 1.94 0.75 0.12 -0.62 0.52 -1.26 -2.98 118.95 117.42 1x3c s ARG 29 Ca 0.11 -0.08 -0.35 0.00 -0.52 0.00 0.00 55.73 54.88 1x3c s ARG 29 Cb -0.16 -0.78 -0.16 0.00 0.52 0.00 0.00 34.95 34.37 1x3c s ARG 29 CO 0.11 -0.08 1.30 0.00 0.02 0.00 0.00 175.30 176.65 1x3c h VAL 31 N 3.12 1.50 -0.50 0.00 -1.51 -1.93 -3.46 116.25 113.47 1x3c h VAL 31 Ca -0.46 -3.08 -0.73 0.00 -1.23 0.00 0.00 66.70 61.20 1x3c h VAL 31 Cb 1.33 2.94 -0.01 0.00 -2.13 0.00 0.00 31.29 33.42 1x3c h VAL 31 CO 0.76 0.90 0.83 1.41 -1.23 0.00 0.00 177.57 180.24 1x3c n HIS 32 N -3.52 1.31 -1.59 5.19 8.25 -1.26 -4.67 115.22 118.94 1x3c n HIS 32 Ca -0.08 0.86 -0.17 0.00 -0.26 0.00 0.00 57.72 58.07 1x3c n HIS 32 Cb 1.02 -1.96 -0.06 0.00 1.12 0.00 0.00 29.99 30.10 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 3.72 1.70 0.00 -0.41 0.74 -1.26 -2.34 119.66 121.80 1x3c s GLN 33 Ca 0.97 0.58 0.00 0.00 0.05 0.00 0.00 55.36 56.96 1x3c s GLN 33 Cb -1.31 -4.77 0.00 0.00 1.10 0.00 0.00 33.01 28.04 1x3c s GLN 33 CO 0.65 -4.26 0.00 0.41 -0.55 0.00 0.00 175.29 171.55 1x3c n GLY 34 N 6.71 0.87 2.65 2.59 0.00 -1.26 -5.14 105.19 111.61 1x3c n GLY 34 Ca 0.45 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.23 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 5.29 2.97 -4.07 0.00 3.72 -1.26 -4.65 117.46 119.46 1x3c n PHE 36 Ca -0.06 -2.81 -0.08 0.00 -0.05 0.00 0.00 57.45 54.45 1x3c n PHE 36 Cb 0.49 -1.75 -0.10 0.00 -0.94 0.00 0.00 39.48 37.18 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 -0.55 0.47 -0.13 4.37 0.00 -1.26 -5.09 121.76 119.56 1x3c s ALA 37 Ca 0.37 -1.08 -0.31 0.00 0.00 0.00 0.00 51.96 50.94 1x3c s ALA 37 Cb 0.06 0.23 0.13 0.00 0.00 0.00 0.00 23.12 23.54 1x3c s ALA 37 CO 0.03 -0.31 1.05 0.00 0.00 0.00 0.00 175.76 176.53 1x3c s ALA 38 N -3.34 -1.95 -0.10 0.00 0.00 -1.26 -2.36 121.76 112.75 1x3c s ALA 38 Ca 0.02 1.43 -0.04 0.00 0.00 0.00 0.00 51.96 53.37 1x3c s ALA 38 Cb 0.04 -0.26 0.05 0.00 0.00 0.00 0.00 23.12 22.95 1x3c s ALA 38 CO -0.08 -0.50 0.20 -0.06 0.00 0.00 0.00 175.76 175.32 1x3c s PHE 39 N -2.09 -0.26 0.24 0.00 0.40 -1.16 -5.02 117.98 110.09 1x3c s PHE 39 Ca 0.04 0.71 -0.05 0.00 -0.60 0.00 0.00 56.93 57.03 1x3c s PHE 39 Cb -0.01 -0.14 0.46 0.00 0.51 0.00 0.00 43.02 43.84 1x3c s PHE 39 CO -0.04 -0.28 1.67 1.15 0.70 0.00 0.00 175.22 178.42 1x3c h THR 40 N 6.25 0.47 -3.41 0.64 2.02 -1.92 -3.40 112.91 113.57 1x3c h THR 40 Ca -0.21 -0.08 -0.55 0.00 0.77 0.00 0.00 66.41 66.35 1x3c h THR 40 Cb 1.12 0.23 -0.04 0.00 -1.74 0.00 0.00 68.15 67.72 1x3c h THR 40 CO 0.20 0.04 0.15 -0.63 0.37 0.00 0.00 175.52 175.66 1x3c s ILE 41 N -6.06 4.80 0.35 3.11 1.01 -1.26 -4.77 121.20 118.39 1x3c s ILE 41 Ca -0.13 1.60 0.05 0.00 0.00 0.00 0.00 60.65 62.17 1x3c s ILE 41 Cb 0.22 -4.10 0.29 0.00 0.01 0.00 0.00 42.46 38.87 1x3c s ILE 41 CO 0.75 0.34 1.96 -0.61 0.00 0.00 0.00 174.94 177.38 1x3c h GLN 42 N 5.92 0.77 0.78 2.79 -0.00 -2.00 -2.50 115.11 120.87 1x3c h GLN 42 Ca -0.43 -0.05 -0.04 0.00 -0.00 0.00 0.00 58.65 58.13 1x3c h GLN 42 Cb 1.20 -0.17 0.01 0.00 0.00 0.00 0.00 27.48 28.52 1x3c h GLN 42 CO 0.72 0.51 -0.38 0.37 0.00 0.00 0.00 178.83 180.05 1x3c h GLN 43 N 0.80 -1.01 0.00 1.69 5.75 -1.92 -2.52 115.11 117.89 1x3c h GLN 43 Ca 0.31 0.07 0.00 0.00 -0.15 0.00 0.00 58.65 58.88 1x3c h GLN 43 Cb 0.20 0.23 0.00 0.00 1.07 0.00 0.00 27.48 28.98 1x3c h GLN 43 CO -0.10 -0.67 0.28 -0.91 -2.65 0.00 0.00 178.83 174.78 1x3c h ASN 44 N -1.26 0.00 0.93 -0.69 -0.26 -1.88 0.68 115.58 113.09 1x3c h ASN 44 Ca -0.11 0.00 -0.18 0.00 -0.56 0.00 0.00 56.30 55.45 1x3c h ASN 44 Cb 0.81 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 38.04 1x3c h ASN 44 CO 0.18 0.00 -1.15 0.25 -1.06 0.00 0.00 177.43 175.65 1x3c h LEU 45 N 0.00 0.00 0.76 1.61 5.85 -1.03 -3.31 115.31 119.19 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 0.56 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.60 1x3c h LEU 45 CO 0.00 0.72 -0.37 0.40 -0.34 0.00 0.00 178.44 178.85 1x3c h ILE 46 N 0.00 0.00 -0.86 4.05 2.04 0.72 -3.12 117.51 120.34 1x3c h ILE 46 Ca -0.11 -0.15 0.20 0.00 1.00 0.00 0.00 64.86 65.79 1x3c h ILE 46 Cb 1.65 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 37.61 1x3c h ILE 46 CO 0.07 0.00 0.36 -0.07 0.00 0.00 0.00 178.15 178.51 1x3c h LEU 47 N -1.18 0.30 -0.96 1.44 -0.00 -1.73 0.10 115.31 113.29 1x3c h LEU 47 Ca -0.10 0.14 0.30 0.00 -0.00 0.00 0.00 57.88 58.21 1x3c h LEU 47 Cb 0.79 0.12 -0.17 0.00 -0.00 0.00 0.00 40.66 41.41 1x3c h LEU 47 CO 0.17 0.03 0.24 -0.74 -0.00 0.00 0.00 178.44 178.15 1x3c h HIS 48 N 0.41 0.34 0.00 1.13 -0.00 -1.63 1.99 115.15 117.39 1x3c h HIS 48 Ca 0.52 0.06 -0.10 0.00 -0.00 0.00 0.00 60.37 60.85 1x3c h HIS 48 Cb 0.93 0.01 -0.01 0.00 -0.00 0.00 0.00 27.41 28.33 1x3c h HIS 48 CO -0.15 -0.36 -0.46 1.88 -0.00 0.00 0.00 177.93 178.84 1x3c h TYR 49 N 0.09 0.00 0.00 5.26 -1.99 -1.01 0.74 116.97 120.06 1x3c h TYR 49 Ca 0.65 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.38 1x3c h TYR 49 Cb 1.45 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.18 1x3c h TYR 49 CO -0.28 0.46 -0.70 1.04 -0.00 0.00 0.00 178.16 178.68 1x3c n GLN 50 N -3.73 0.25 -0.02 4.88 6.02 0.57 -0.12 117.38 125.22 1x3c n GLN 50 Ca -0.01 0.06 0.06 0.00 -0.01 0.00 0.00 57.00 57.09 1x3c n GLN 50 Cb 0.52 -1.64 -0.16 0.00 1.02 0.00 0.00 30.24 29.99 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 -1.79 2.46 -0.08 -1.58 0.00 0.44 -3.35 120.51 116.62 1x3c n ALA 51 Ca 0.03 -0.70 -0.15 0.00 0.00 0.00 0.00 53.44 52.63 1x3c n ALA 51 Cb 0.43 -0.64 -0.05 0.00 0.00 0.00 0.00 19.45 19.18 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 -2.42 1.30 -0.76 0.00 0.31 0.23 -4.68 118.33 112.32 1x3c n VAL 52 Ca -0.11 -0.04 0.08 0.00 -0.01 0.00 0.00 64.34 64.26 1x3c n VAL 52 Cb 0.72 -1.98 0.27 0.00 -0.91 0.00 0.00 33.84 31.94 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 1.07 -3.82 3.52 8.25 -0.70 -4.97 115.22 114.49 1x3c n HIS 53 Ca -0.26 -0.74 -0.24 0.00 -0.26 0.00 0.00 57.72 56.22 1x3c n HIS 53 Cb 0.59 -0.27 -0.05 0.00 1.12 0.00 0.00 29.99 31.38 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 0.10 -0.84 -4.04 -0.41 4.01 0.30 -4.83 118.16 112.46 1x3c n LYS 54 Ca 0.21 0.02 -0.11 0.00 -0.51 0.00 0.00 58.31 57.92 1x3c n LYS 54 Cb 0.84 -2.23 -0.05 0.00 -0.51 0.00 0.00 35.03 33.07 1x3c n LYS 54 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 1x3c s SER 55 N -3.97 0.23 0.08 4.39 1.04 0.82 -4.86 113.70 111.43 1x3c s SER 55 Ca 0.08 -1.15 0.03 0.00 0.48 0.00 0.00 55.95 55.39 1x3c s SER 55 Cb -0.05 0.59 -0.04 0.00 0.10 0.00 0.00 66.02 66.63 1x3c s SER 55 CO 0.69 -1.17 0.06 -1.81 0.98 0.00 0.00 173.24 171.99 1x3c s ASP 56 N -3.10 5.40 0.72 7.02 1.01 -1.26 -2.10 116.67 124.36 1x3c s ASP 56 Ca 0.27 -0.04 -0.17 0.00 0.71 0.00 0.00 52.55 53.32 1x3c s ASP 56 Cb 0.00 -1.42 -0.07 0.00 1.01 0.00 0.00 42.92 42.44 1x3c s ASP 56 CO 0.13 0.18 0.21 0.18 0.21 0.00 0.00 175.17 176.08 1x3c n LEU 57 N 0.53 -1.04 0.00 1.23 4.32 -1.26 -4.97 117.00 115.80 1x3c n LEU 57 Ca -0.09 0.54 -0.07 0.00 -0.02 0.00 0.00 56.01 56.37 1x3c n LEU 57 Cb 0.52 -1.08 0.06 0.00 -1.62 0.00 0.00 43.42 41.29 1x3c n LEU 57 CO 0.43 -3.86 0.14 -0.81 -1.22 0.00 0.00 177.39 172.06 1x3c n PRO 58 N 0.12 -1.51 -3.92 3.23 -0.04 -1.26 -5.06 135.00 126.56 1x3c n PRO 58 Ca 0.08 -0.40 -0.30 0.00 -0.04 0.00 0.00 63.50 62.84 1x3c n PRO 58 Cb 0.50 -0.38 -0.16 0.00 -0.04 0.00 0.00 33.50 33.43 1x3c n PRO 58 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1x3c s ALA 59 N -2.98 1.76 -0.23 0.55 0.00 -1.26 -4.98 121.76 114.61 1x3c s ALA 59 Ca 0.16 -1.11 0.14 0.00 0.00 0.00 0.00 51.96 51.16 1x3c s ALA 59 Cb -0.02 -1.28 0.46 0.00 0.00 0.00 0.00 23.12 22.28 1x3c s ALA 59 CO 0.12 -0.97 1.18 1.19 0.00 0.00 0.00 175.76 177.28 1x3c n PHE 60 N 4.76 1.41 -3.85 0.00 3.72 -1.26 -5.06 117.46 117.18 1x3c n PHE 60 Ca -0.12 -1.81 -0.05 0.00 -0.05 0.00 0.00 57.45 55.41 1x3c n PHE 60 Cb 0.46 -0.27 0.02 0.00 -0.94 0.00 0.00 39.48 38.75 1x3c n PHE 60 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1x3c s SER 61 N -3.35 -0.00 0.42 4.37 1.04 -1.26 -5.19 113.70 109.72 1x3c s SER 61 Ca 0.40 -0.85 0.04 0.00 0.48 0.00 0.00 55.95 56.02 1x3c s SER 61 Cb 0.38 0.64 -0.02 0.00 0.10 0.00 0.00 66.02 67.12 1x3c s SER 61 CO -0.03 -1.27 0.16 0.00 0.98 0.00 0.00 173.24 173.08 1x3c s ALA 62 N -2.27 2.94 -0.89 5.32 0.00 -1.26 -5.03 121.76 120.56 1x3c s ALA 62 Ca 0.19 -1.21 -0.24 0.00 0.00 0.00 0.00 51.96 50.70 1x3c s ALA 62 Cb -0.04 0.83 -0.19 0.00 0.00 0.00 0.00 23.12 23.73 1x3c s ALA 62 CO 0.08 -0.37 2.20 -0.85 0.00 0.00 0.00 175.76 176.81 1x3c n GLU 63 N -0.93 0.30 -3.80 0.00 0.28 -1.26 -4.83 120.64 110.40 1x3c n GLU 63 Ca -0.05 -1.13 -0.13 0.00 -0.16 0.00 0.00 57.16 55.69 1x3c n GLU 63 Cb 0.64 -3.52 -0.13 0.00 1.43 0.00 0.00 31.44 29.86 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 14.45 -0.02 -0.35 3.84 1.01 -1.26 -5.06 120.40 133.01 1x3c s VAL 64 Ca 0.86 0.06 0.12 0.00 0.00 0.00 0.00 61.98 63.02 1x3c s VAL 64 Cb -0.13 -0.23 0.45 0.00 0.00 0.00 0.00 36.38 36.48 1x3c s VAL 64 CO 0.15 0.02 1.07 -0.62 0.00 0.00 0.00 175.10 175.72 1x3c n GLU 65 N 3.42 2.45 -4.50 2.72 1.02 -1.26 -5.08 120.64 119.41 1x3c n GLU 65 Ca -0.17 -3.89 -0.27 0.00 -0.02 0.00 0.00 57.16 52.81 1x3c n GLU 65 Cb 0.57 -1.82 -0.10 0.00 -0.02 0.00 0.00 31.44 30.06 1x3c n GLU 65 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 1x3c s GLU 66 N -3.44 1.98 -0.04 3.49 -1.05 -1.26 -5.09 118.70 113.29 1x3c s GLU 66 Ca 0.38 -2.00 -0.06 0.00 -0.15 0.00 0.00 54.97 53.14 1x3c s GLU 66 Cb 0.41 -1.74 -0.02 0.00 -0.44 0.00 0.00 34.13 32.34 1x3c s GLU 66 CO -0.06 -0.00 -0.12 -1.91 0.95 0.00 0.00 175.26 174.12 1x3c n GLU 67 N -0.97 0.19 -4.23 -4.83 4.07 -1.26 -4.97 120.64 108.63 1x3c n GLU 67 Ca -0.04 0.07 -0.38 0.00 -0.06 0.00 0.00 57.16 56.75 1x3c n GLU 67 Cb 0.65 -0.74 -0.07 0.00 -0.06 0.00 0.00 31.44 31.22 1x3c n GLU 67 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 1x3c n SER 68 N -3.44 -1.56 -4.89 4.31 7.64 -1.26 -4.87 113.62 109.55 1x3c n SER 68 Ca -0.05 -1.12 -0.29 0.00 1.01 0.00 0.00 58.87 58.42 1x3c n SER 68 Cb 0.18 -1.43 0.03 0.00 -1.01 0.00 0.00 64.21 61.98 1x3c n SER 68 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x3c s GLY 69 N -3.05 1.62 -0.97 0.23 0.00 -1.26 -4.95 107.32 98.94 1x3c s GLY 69 Ca 0.73 -0.37 -0.24 0.00 0.00 0.00 0.00 44.72 44.84 1x3c s GLY 69 CO 0.92 -0.05 1.94 2.56 0.00 0.00 0.00 173.10 178.48 1x3c s PRO 70 N -5.21 2.54 0.98 2.90 0.04 -1.26 -4.95 135.00 130.03 1x3c s PRO 70 Ca 0.56 -0.51 -0.14 0.00 0.04 0.00 0.00 61.00 60.94 1x3c s PRO 70 Cb -0.11 -5.11 0.01 0.00 0.04 0.00 0.00 34.50 29.33 1x3c s PRO 70 CO 0.51 -3.53 0.15 0.45 0.04 0.00 0.00 177.00 174.61 1x3c n SER 71 N 14.07 -2.74 -4.54 6.66 2.88 -1.26 -4.83 113.62 123.86 1x3c n SER 71 Ca 0.41 0.25 -0.41 0.00 -1.33 0.00 0.00 58.87 57.79 1x3c n SER 71 Cb 0.47 -1.10 0.01 0.00 -0.75 0.00 0.00 64.21 62.84 1x3c n SER 71 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x3c n SER 72 N -0.54 0.24 0.00 -3.46 2.88 -1.26 -5.30 113.62 106.18 1x3c n SER 72 Ca 0.05 0.97 0.00 0.00 -1.33 0.00 0.00 58.87 58.55 1x3c n SER 72 Cb 0.55 -1.24 0.00 0.00 -0.75 0.00 0.00 64.21 62.77 1x3c n SER 72 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42