#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 -0.56 -0.17 1.61 0.01 -1.26 -5.16 113.70 108.18 1x3c s SER 2 Ca 0.00 1.13 -0.16 0.00 1.31 0.00 0.00 55.95 58.23 1x3c s SER 2 Cb 0.00 1.37 0.04 0.00 0.21 0.00 0.00 66.02 67.64 1x3c s SER 2 CO 0.00 -0.22 0.45 -0.44 0.41 0.00 0.00 173.24 173.44 1x3c s SER 3 N 2.23 -0.47 0.15 2.44 0.01 -1.26 -5.17 113.70 111.62 1x3c s SER 3 Ca -0.05 0.89 0.06 0.00 1.31 0.00 0.00 55.95 58.16 1x3c s SER 3 Cb -0.10 0.91 -0.04 0.00 0.21 0.00 0.00 66.02 67.00 1x3c s SER 3 CO -0.15 -0.17 -0.13 -0.83 0.41 0.00 0.00 173.24 172.38 1x3c s GLY 4 N 0.20 1.14 -0.30 3.44 0.00 -1.26 -5.14 107.32 105.40 1x3c s GLY 4 Ca -0.00 -1.42 -0.06 0.00 0.00 0.00 0.00 44.72 43.24 1x3c s GLY 4 CO 0.01 -1.50 0.62 -0.56 0.00 0.00 0.00 173.10 171.67 1x3c s SER 5 N -2.84 -1.23 0.09 1.64 0.01 -1.26 -5.16 113.70 104.95 1x3c s SER 5 Ca 0.14 1.24 -0.25 0.00 1.31 0.00 0.00 55.95 58.38 1x3c s SER 5 Cb -0.02 2.22 0.09 0.00 0.21 0.00 0.00 66.02 68.52 1x3c s SER 5 CO 0.03 -0.24 1.15 -0.94 0.41 0.00 0.00 173.24 173.65 1x3c s SER 6 N 2.87 -0.01 0.00 2.44 1.04 -1.26 -5.18 113.70 113.60 1x3c s SER 6 Ca 0.07 -0.44 0.00 0.00 0.48 0.00 0.00 55.95 56.06 1x3c s SER 6 Cb -0.13 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.33 1x3c s SER 6 CO -0.20 -0.67 0.00 0.61 0.98 0.00 0.00 173.24 173.96 1x3c n GLY 7 N -0.74 3.17 3.62 7.32 0.00 -1.26 -5.19 105.19 112.12 1x3c n GLY 7 Ca -0.01 0.02 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.16 0.30 -0.08 1.61 3.03 -1.26 -5.18 118.95 117.21 1x3c s ARG 8 Ca 0.00 0.17 -0.23 0.00 2.03 0.00 0.00 55.73 57.70 1x3c s ARG 8 Cb 0.00 0.14 0.05 0.00 -1.03 0.00 0.00 34.95 34.11 1x3c s ARG 8 CO 0.00 -0.07 0.53 -1.59 -1.13 0.00 0.00 175.30 173.03 1x3c s LYS 9 N -0.61 0.82 -0.02 3.89 0.00 -1.26 -5.17 119.74 117.40 1x3c s LYS 9 Ca 0.04 0.26 0.01 0.00 0.00 0.00 0.00 55.97 56.28 1x3c s LYS 9 Cb -0.02 0.38 0.01 0.00 0.00 0.00 0.00 37.83 38.20 1x3c s LYS 9 CO -0.06 -0.21 -0.02 0.15 0.00 0.00 0.00 175.35 175.20 1x3c s LYS 10 N -0.82 0.32 0.28 1.78 1.02 -1.26 -5.14 119.74 115.93 1x3c s LYS 10 Ca -0.09 -0.05 -0.29 0.00 0.02 0.00 0.00 55.97 55.56 1x3c s LYS 10 Cb -0.03 -0.39 -0.10 0.00 -0.52 0.00 0.00 37.83 36.80 1x3c s LYS 10 CO 0.06 -0.01 1.25 -1.25 -0.92 0.00 0.00 175.35 174.47 1x3c s PRO 11 N 0.39 4.44 -0.93 -1.68 0.04 -1.26 -4.95 135.00 131.05 1x3c s PRO 11 Ca -0.04 2.06 -0.02 0.00 0.04 0.00 0.00 61.00 63.04 1x3c s PRO 11 Cb -0.07 -3.14 0.27 0.00 0.04 0.00 0.00 34.50 31.60 1x3c s PRO 11 CO -0.01 -0.10 2.09 0.28 0.04 0.00 0.00 177.00 179.30 1x3c n VAL 12 N 1.45 4.77 -3.98 -0.36 0.31 -1.26 -4.83 118.33 114.42 1x3c n VAL 12 Ca 0.01 -4.81 -0.27 0.00 -0.01 0.00 0.00 64.34 59.27 1x3c n VAL 12 Cb 0.43 -1.51 -0.07 0.00 -0.91 0.00 0.00 33.84 31.78 1x3c n VAL 12 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1x3c n SER 13 N 0.12 0.19 -1.04 4.52 2.88 -1.26 -4.76 113.62 114.27 1x3c n SER 13 Ca 0.52 -1.04 0.05 0.00 -1.33 0.00 0.00 58.87 57.06 1x3c n SER 13 Cb 0.28 -1.29 0.20 0.00 -0.75 0.00 0.00 64.21 62.66 1x3c n SER 13 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1x3c n GLN 14 N -3.97 2.62 0.00 -1.46 0.00 -1.26 -4.42 117.38 108.89 1x3c n GLN 14 Ca -0.24 -1.60 0.00 0.00 0.00 0.00 0.00 57.00 55.16 1x3c n GLN 14 Cb 0.55 -1.66 0.00 0.00 0.00 0.00 0.00 30.24 29.13 1x3c n GLN 14 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1x3c n SER 15 N 0.48 0.00 -3.70 2.61 2.88 -1.26 -5.05 113.62 109.57 1x3c n SER 15 Ca 0.14 0.09 -0.11 0.00 -1.33 0.00 0.00 58.87 57.66 1x3c n SER 15 Cb 0.59 -0.24 -0.10 0.00 -0.75 0.00 0.00 64.21 63.71 1x3c n SER 15 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1x3c s LEU 16 N -3.38 -0.04 0.12 2.46 1.43 -1.26 -5.05 118.68 112.97 1x3c s LEU 16 Ca 0.00 0.94 -0.15 0.00 -1.03 0.00 0.00 54.13 53.89 1x3c s LEU 16 Cb 0.00 1.49 -0.02 0.00 0.03 0.00 0.00 46.19 47.69 1x3c s LEU 16 CO 0.00 -0.18 1.58 -0.33 0.23 0.00 0.00 176.35 177.65 1x3c h GLU 17 N 6.56 0.66 -6.17 1.70 4.39 -1.97 -3.44 114.58 116.31 1x3c h GLU 17 Ca -0.33 -0.20 -0.53 0.00 0.34 0.00 0.00 59.36 58.64 1x3c h GLU 17 Cb 1.19 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.75 1x3c h GLU 17 CO 0.26 0.74 -0.37 -0.59 -1.16 0.00 0.00 179.01 177.89 1x3c s PHE 18 N -5.09 3.48 0.03 4.33 -0.12 -1.26 -5.04 117.98 114.32 1x3c s PHE 18 Ca -0.13 0.26 -0.21 0.00 -0.05 0.00 0.00 56.93 56.80 1x3c s PHE 18 Cb 0.10 -1.79 -0.15 0.00 -0.63 0.00 0.00 43.02 40.55 1x3c s PHE 18 CO 0.78 0.42 1.33 -1.00 -0.05 0.00 0.00 175.22 176.70 1x3c h PRO 19 N 2.00 0.31 0.00 1.99 0.13 -2.05 -3.49 132.00 130.89 1x3c h PRO 19 Ca -0.48 -0.16 0.17 0.00 -0.87 0.00 0.00 66.00 64.65 1x3c h PRO 19 Cb 1.19 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 1x3c h PRO 19 CO 0.68 0.71 0.45 -2.37 -0.23 0.00 0.00 178.00 177.24 1x3c n THR 20 N -4.60 0.00 -0.63 1.56 5.66 -1.26 -5.12 114.28 109.89 1x3c n THR 20 Ca -0.06 -0.12 -0.31 0.00 -3.05 0.00 0.00 64.05 60.51 1x3c n THR 20 Cb 0.35 0.32 0.19 0.00 -1.55 0.00 0.00 70.33 69.64 1x3c n THR 20 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 175.07 170.88 1x3c n ARG 21 N -0.47 -1.73 -0.68 1.09 3.00 -1.26 -4.66 116.66 111.95 1x3c n ARG 21 Ca 0.02 -0.48 -0.26 0.00 -0.00 0.00 0.00 57.85 57.12 1x3c n ARG 21 Cb 0.31 -1.84 -0.04 0.00 0.00 0.00 0.00 32.46 30.89 1x3c n ARG 21 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.63 180.11 1x3c n TYR 22 N -4.52 0.48 -1.47 -0.14 4.11 -1.26 -4.53 117.16 109.83 1x3c n TYR 22 Ca 0.02 0.46 -0.47 0.00 -0.00 0.00 0.00 57.90 57.91 1x3c n TYR 22 Cb 0.59 -0.90 -0.07 0.00 -0.00 0.00 0.00 39.34 38.96 1x3c n TYR 22 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.86 175.73 1x3c n SER 23 N 1.11 1.96 -0.08 9.48 3.41 -1.26 -4.82 113.62 123.42 1x3c n SER 23 Ca 0.10 0.21 -0.11 0.00 -0.26 0.00 0.00 58.87 58.82 1x3c n SER 23 Cb 0.01 -1.28 0.02 0.00 -0.26 0.00 0.00 64.21 62.69 1x3c n SER 23 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1x3c h PRO 24 N 13.69 0.80 -1.87 4.33 0.13 -1.98 -3.46 132.00 143.64 1x3c h PRO 24 Ca -0.24 -0.43 -0.01 0.00 -0.87 0.00 0.00 66.00 64.45 1x3c h PRO 24 Cb 1.31 0.02 -0.21 0.00 0.13 0.00 0.00 31.00 32.24 1x3c h PRO 24 CO 1.09 1.06 0.26 -0.47 -0.23 0.00 0.00 178.00 179.71 1x3c s TYR 25 N -4.32 -0.64 -0.62 1.56 5.04 -1.26 -5.12 117.35 112.00 1x3c s TYR 25 Ca -0.10 1.36 0.02 0.00 -2.44 0.00 0.00 57.07 55.91 1x3c s TYR 25 Cb 0.12 0.36 0.15 0.00 0.35 0.00 0.00 41.96 42.94 1x3c s TYR 25 CO 0.86 -0.42 0.40 -0.98 -1.34 0.00 0.00 175.55 174.07 1x3c s ARG 26 N -0.37 2.36 0.00 4.97 1.70 -1.26 -4.85 118.95 121.50 1x3c s ARG 26 Ca -0.03 -2.78 0.15 0.00 -0.47 0.00 0.00 55.73 52.60 1x3c s ARG 26 Cb -0.03 -3.52 0.90 0.00 -0.57 0.00 0.00 34.95 31.73 1x3c s ARG 26 CO 0.03 -1.17 1.31 -0.35 -1.08 0.00 0.00 175.30 174.04 1x3c n PRO 27 N 2.96 0.49 -3.74 3.89 -0.04 -1.26 -4.59 135.00 132.70 1x3c n PRO 27 Ca 0.10 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.19 1x3c n PRO 27 Cb 0.35 -1.48 -0.12 0.00 -0.04 0.00 0.00 33.50 32.20 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 3.10 0.03 0.54 1.51 -1.15 -5.08 117.35 114.30 1x3c s TYR 28 Ca 0.23 -0.50 0.02 0.00 -1.01 0.00 0.00 57.07 55.81 1x3c s TYR 28 Cb 0.10 -2.25 -0.02 0.00 -0.11 0.00 0.00 41.96 39.68 1x3c s TYR 28 CO 0.17 -0.39 -0.08 0.50 -1.11 0.00 0.00 175.55 174.64 1x3c s ARG 29 N 1.60 0.56 -0.12 -0.62 3.52 -1.26 -0.67 118.95 121.96 1x3c s ARG 29 Ca 0.06 -0.55 -0.29 0.00 -0.13 0.00 0.00 55.73 54.82 1x3c s ARG 29 Cb -0.16 -0.44 -0.07 0.00 -1.56 0.00 0.00 34.95 32.73 1x3c s ARG 29 CO 0.04 0.10 2.10 0.00 -0.81 0.00 0.00 175.30 176.73 1x3c h VAL 31 N 6.51 0.48 -0.68 0.00 -1.51 -1.99 -3.41 116.25 115.65 1x3c h VAL 31 Ca -0.44 -0.13 -0.82 0.00 -1.23 0.00 0.00 66.70 64.08 1x3c h VAL 31 Cb 1.24 0.08 -0.01 0.00 -2.13 0.00 0.00 31.29 30.47 1x3c h VAL 31 CO 0.95 0.07 0.98 1.41 -1.23 0.00 0.00 177.57 179.75 1x3c n HIS 32 N -5.07 1.56 -1.90 5.19 8.25 -1.26 -4.76 115.22 117.22 1x3c n HIS 32 Ca 0.20 0.92 -0.41 0.00 -0.26 0.00 0.00 57.72 58.17 1x3c n HIS 32 Cb 0.61 -2.29 -0.02 0.00 1.12 0.00 0.00 29.99 29.41 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 5.61 2.48 0.00 -0.41 0.00 -1.26 -3.12 117.38 120.68 1x3c n GLN 33 Ca 0.40 -2.61 0.00 0.00 -0.00 0.00 0.00 57.00 54.79 1x3c n GLN 33 Cb -0.02 -3.34 0.00 0.00 0.00 0.00 0.00 30.24 26.88 1x3c n GLN 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1x3c n GLY 34 N 4.81 0.00 0.06 1.69 0.00 -1.26 -5.05 105.19 105.44 1x3c n GLY 34 Ca 0.50 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.45 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 -2.57 -2.32 -3.75 0.00 3.01 -1.26 -4.97 117.46 105.59 1x3c n PHE 36 Ca -0.20 0.72 -0.30 0.00 1.01 0.00 0.00 57.45 58.68 1x3c n PHE 36 Cb 0.82 -4.60 -0.15 0.00 -0.01 0.00 0.00 39.48 35.55 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 -3.23 1.70 -0.07 4.37 0.00 -1.26 -5.10 121.76 118.18 1x3c s ALA 37 Ca 0.43 -1.83 0.03 0.00 0.00 0.00 0.00 51.96 50.59 1x3c s ALA 37 Cb -0.20 -1.68 -0.02 0.00 0.00 0.00 0.00 23.12 21.23 1x3c s ALA 37 CO 0.54 -1.71 -0.16 0.00 0.00 0.00 0.00 175.76 174.43 1x3c s ALA 38 N 1.44 2.57 0.27 0.00 0.00 -1.26 -2.12 121.76 122.66 1x3c s ALA 38 Ca 0.11 -0.96 0.11 0.00 0.00 0.00 0.00 51.96 51.21 1x3c s ALA 38 Cb -0.18 -0.99 -0.05 0.00 0.00 0.00 0.00 23.12 21.90 1x3c s ALA 38 CO -0.21 0.45 -0.13 -0.06 0.00 0.00 0.00 175.76 175.81 1x3c s PHE 39 N -0.33 2.44 -0.18 0.00 0.40 0.15 -4.96 117.98 115.50 1x3c s PHE 39 Ca 0.03 -0.29 -0.23 0.00 -0.60 0.00 0.00 56.93 55.84 1x3c s PHE 39 Cb -0.13 -1.07 -0.22 0.00 0.51 0.00 0.00 43.02 42.11 1x3c s PHE 39 CO 0.02 0.67 0.40 1.15 0.70 0.00 0.00 175.22 178.16 1x3c h THR 40 N 2.17 1.15 -3.64 0.64 2.02 -1.87 -3.04 112.91 110.35 1x3c h THR 40 Ca -0.42 -2.25 -0.51 0.00 0.77 0.00 0.00 66.41 64.01 1x3c h THR 40 Cb 1.25 2.58 -0.03 0.00 -1.74 0.00 0.00 68.15 70.22 1x3c h THR 40 CO 0.60 0.44 0.06 -0.63 0.37 0.00 0.00 175.52 176.35 1x3c s ILE 41 N -2.34 4.70 0.17 3.11 1.01 -1.26 -4.45 121.20 122.14 1x3c s ILE 41 Ca -0.25 0.94 -0.05 0.00 0.00 0.00 0.00 60.65 61.28 1x3c s ILE 41 Cb 0.03 -3.66 -0.07 0.00 0.01 0.00 0.00 42.46 38.77 1x3c s ILE 41 CO 0.64 -0.08 1.46 -0.61 0.00 0.00 0.00 174.94 176.36 1x3c h GLN 42 N 2.58 0.63 0.67 2.79 4.15 -1.99 -3.05 115.11 120.89 1x3c h GLN 42 Ca -0.48 -0.42 -0.03 0.00 0.77 0.00 0.00 58.65 58.49 1x3c h GLN 42 Cb 1.18 0.05 0.01 0.00 0.21 0.00 0.00 27.48 28.93 1x3c h GLN 42 CO 0.66 1.03 -0.32 0.37 -1.93 0.00 0.00 178.83 178.64 1x3c h GLN 43 N 0.48 -0.87 0.00 1.69 5.75 -2.01 -2.33 115.11 117.82 1x3c h GLN 43 Ca 0.00 0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.56 1x3c h GLN 43 Cb 1.15 0.20 0.00 0.00 1.07 0.00 0.00 27.48 29.89 1x3c h GLN 43 CO 0.11 -0.58 0.34 -2.95 -2.65 0.00 0.00 178.83 173.11 1x3c h ASN 44 N -1.15 0.00 0.59 -0.69 7.08 -1.99 0.64 115.58 120.07 1x3c h ASN 44 Ca -0.09 0.00 -0.28 0.00 -3.08 0.00 0.00 56.30 52.85 1x3c h ASN 44 Cb 0.69 0.00 -0.03 0.00 -2.08 0.00 0.00 38.32 36.90 1x3c h ASN 44 CO 0.15 0.00 -1.51 0.25 -2.08 0.00 0.00 177.43 174.24 1x3c h LEU 45 N 0.00 0.10 -0.09 6.14 5.85 -1.37 -3.29 115.31 122.65 1x3c h LEU 45 Ca 0.00 -0.16 0.03 0.00 0.84 0.00 0.00 57.88 58.59 1x3c h LEU 45 Cb 0.69 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.65 1x3c h LEU 45 CO 0.00 1.14 -0.10 0.40 -0.34 0.00 0.00 178.44 179.54 1x3c h ILE 46 N 0.02 0.73 -0.56 4.05 2.04 0.85 -2.55 117.51 122.08 1x3c h ILE 46 Ca -0.22 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.64 1x3c h ILE 46 Cb 1.95 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 38.73 1x3c h ILE 46 CO 0.11 0.00 0.34 -0.07 0.00 0.00 0.00 178.15 178.53 1x3c h LEU 47 N -0.12 0.68 -0.92 1.44 -0.00 -1.71 -2.67 115.31 112.01 1x3c h LEU 47 Ca 0.07 -0.06 0.26 0.00 -0.00 0.00 0.00 57.88 58.14 1x3c h LEU 47 Cb 0.22 -0.17 -0.16 0.00 -0.00 0.00 0.00 40.66 40.55 1x3c h LEU 47 CO -0.17 0.54 0.17 -0.74 -0.00 0.00 0.00 178.44 178.25 1x3c h HIS 48 N 0.76 0.22 0.00 1.13 -0.00 -1.53 1.55 115.15 117.29 1x3c h HIS 48 Ca 0.20 0.06 -0.09 0.00 -0.00 0.00 0.00 60.37 60.54 1x3c h HIS 48 Cb -0.01 0.05 -0.01 0.00 -0.00 0.00 0.00 27.41 27.44 1x3c h HIS 48 CO -0.02 -0.31 -0.43 1.88 -0.00 0.00 0.00 177.93 179.04 1x3c h TYR 49 N 0.11 0.00 0.00 5.26 0.05 -1.33 0.44 116.97 121.51 1x3c h TYR 49 Ca 0.58 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.36 1x3c h TYR 49 Cb 1.22 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.96 1x3c h TYR 49 CO -0.33 0.43 -0.57 1.96 -1.05 0.00 0.00 178.16 178.60 1x3c h GLN 50 N 0.00 0.00 0.00 4.88 4.20 0.51 0.27 115.11 124.97 1x3c h GLN 50 Ca -0.00 0.00 -0.23 0.00 0.06 0.00 0.00 58.65 58.47 1x3c h GLN 50 Cb 0.81 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.55 1x3c h GLN 50 CO 0.06 0.00 -2.21 0.00 -0.67 0.00 0.00 178.83 176.00 1x3c n ALA 51 N -1.87 1.97 -0.10 3.87 0.00 0.36 -3.41 120.51 121.32 1x3c n ALA 51 Ca 0.03 -1.02 -0.15 0.00 0.00 0.00 0.00 53.44 52.30 1x3c n ALA 51 Cb 0.45 -0.36 -0.06 0.00 0.00 0.00 0.00 19.45 19.48 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 -2.55 1.49 -1.43 0.00 0.31 0.15 -4.58 118.33 111.72 1x3c n VAL 52 Ca -0.22 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.01 1x3c n VAL 52 Cb 0.93 -2.19 0.19 0.00 -0.91 0.00 0.00 33.84 31.85 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 -4.45 1.60 -3.11 3.52 8.25 -0.77 -4.95 115.22 115.32 1x3c n HIS 53 Ca -0.25 -1.73 -0.13 0.00 -0.26 0.00 0.00 57.72 55.35 1x3c n HIS 53 Cb 0.57 -0.61 -0.04 0.00 1.12 0.00 0.00 29.99 31.03 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 -1.12 -0.96 -4.01 -0.41 4.76 -0.85 -4.79 118.16 110.79 1x3c n LYS 54 Ca 0.40 0.04 -0.13 0.00 -2.87 0.00 0.00 58.31 55.75 1x3c n LYS 54 Cb 1.15 -1.50 -0.02 0.00 -1.84 0.00 0.00 35.03 32.83 1x3c n LYS 54 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1x3c s SER 55 N -3.20 0.72 -0.14 4.39 0.01 0.88 -4.88 113.70 111.48 1x3c s SER 55 Ca 0.07 -1.42 0.02 0.00 1.31 0.00 0.00 55.95 55.93 1x3c s SER 55 Cb -0.04 0.73 0.01 0.00 0.21 0.00 0.00 66.02 66.93 1x3c s SER 55 CO 0.40 -1.44 -0.20 1.51 0.41 0.00 0.00 173.24 173.92 1x3c s ASP 56 N -3.20 3.27 0.97 2.44 -4.77 -1.26 -0.16 116.67 113.96 1x3c s ASP 56 Ca 0.26 -0.56 -0.18 0.00 -3.30 0.00 0.00 52.55 48.77 1x3c s ASP 56 Cb -0.02 -1.48 -0.15 0.00 -1.09 0.00 0.00 42.92 40.18 1x3c s ASP 56 CO 0.18 0.08 -0.86 0.00 0.70 0.00 0.00 175.17 175.28 1x3c n LEU 57 N 4.05 -5.56 -0.11 2.11 -0.00 -1.26 -4.87 117.00 111.36 1x3c n LEU 57 Ca -0.20 0.16 -0.12 0.00 -0.00 0.00 0.00 56.01 55.84 1x3c n LEU 57 Cb 0.52 -0.71 -0.01 0.00 -0.00 0.00 0.00 43.42 43.22 1x3c n LEU 57 CO 0.28 -5.51 0.55 1.55 -0.00 0.00 0.00 177.39 174.26 1x3c h PRO 58 N -0.97 0.90 -4.81 1.47 0.13 -2.03 -3.41 132.00 123.29 1x3c h PRO 58 Ca -0.42 -0.47 -0.68 0.00 -0.87 0.00 0.00 66.00 63.56 1x3c h PRO 58 Cb 1.27 0.02 -0.26 0.00 0.13 0.00 0.00 31.00 32.15 1x3c h PRO 58 CO 0.22 1.12 -0.63 0.00 -0.23 0.00 0.00 178.00 178.49 1x3c s ALA 59 N -4.38 3.05 0.48 -0.56 0.00 -1.26 -5.09 121.76 113.99 1x3c s ALA 59 Ca -0.11 -1.46 0.05 0.00 0.00 0.00 0.00 51.96 50.44 1x3c s ALA 59 Cb 0.11 -2.13 -0.02 0.00 0.00 0.00 0.00 23.12 21.09 1x3c s ALA 59 CO 0.88 -0.93 0.19 -0.59 0.00 0.00 0.00 175.76 175.30 1x3c s PHE 60 N 1.49 2.10 -1.14 0.00 -0.12 -1.26 -5.06 117.98 113.99 1x3c s PHE 60 Ca 0.02 -0.77 -0.14 0.00 -0.05 0.00 0.00 56.93 55.99 1x3c s PHE 60 Cb -0.17 -1.84 0.18 0.00 -0.63 0.00 0.00 43.02 40.55 1x3c s PHE 60 CO 0.02 0.01 1.33 0.45 -0.05 0.00 0.00 175.22 176.98 1x3c s SER 61 N -4.00 7.03 0.00 1.98 0.15 -1.26 -4.73 113.70 112.87 1x3c s SER 61 Ca 0.29 -2.91 0.00 0.00 0.70 0.00 0.00 55.95 54.03 1x3c s SER 61 Cb 0.02 -2.37 0.00 0.00 -1.71 0.00 0.00 66.02 61.95 1x3c s SER 61 CO 0.16 -0.74 0.00 0.00 1.20 0.00 0.00 173.24 173.87 1x3c n ALA 62 N 5.39 1.43 -2.29 5.45 0.00 -1.26 -4.84 120.51 124.40 1x3c n ALA 62 Ca 0.33 -0.04 -0.42 0.00 0.00 0.00 0.00 53.44 53.31 1x3c n ALA 62 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 1x3c n ALA 62 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1x3c n GLU 63 N -1.71 4.19 -3.72 0.00 2.13 -1.26 -4.89 120.64 115.39 1x3c n GLU 63 Ca 0.00 -3.67 -0.12 0.00 0.66 0.00 0.00 57.16 54.03 1x3c n GLU 63 Cb 0.00 -2.74 -0.10 0.00 0.27 0.00 0.00 31.44 28.86 1x3c n GLU 63 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1x3c s VAL 64 N -0.81 -0.01 -0.51 6.31 1.01 -1.26 -5.04 120.40 120.09 1x3c s VAL 64 Ca 0.44 0.04 -0.02 0.00 0.00 0.00 0.00 61.98 62.44 1x3c s VAL 64 Cb 0.13 -0.60 0.29 0.00 0.00 0.00 0.00 36.38 36.20 1x3c s VAL 64 CO -0.03 0.02 2.14 -1.84 0.00 0.00 0.00 175.10 175.38 1x3c n GLU 65 N 3.45 2.28 -3.22 2.72 0.28 -1.26 -4.84 120.64 120.05 1x3c n GLU 65 Ca -0.17 -2.45 -0.46 0.00 -0.16 0.00 0.00 57.16 53.91 1x3c n GLU 65 Cb 0.56 -1.98 -0.02 0.00 1.43 0.00 0.00 31.44 31.43 1x3c n GLU 65 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 1x3c s GLU 66 N -2.71 3.64 0.03 3.44 0.41 -1.26 -4.99 118.70 117.26 1x3c s GLU 66 Ca 0.49 -2.32 -0.13 0.00 -0.41 0.00 0.00 54.97 52.60 1x3c s GLU 66 Cb 0.37 -4.57 0.02 0.00 -1.78 0.00 0.00 34.13 28.17 1x3c s GLU 66 CO -0.07 -1.42 0.27 -2.00 -0.49 0.00 0.00 175.26 171.55 1x3c s GLU 67 N 0.78 0.74 -0.38 1.61 -6.30 -1.26 -5.10 118.70 108.78 1x3c s GLU 67 Ca 0.23 -0.46 -0.42 0.00 -2.50 0.00 0.00 54.97 51.82 1x3c s GLU 67 Cb -0.09 0.32 -0.17 0.00 0.00 0.00 0.00 34.13 34.20 1x3c s GLU 67 CO -0.09 -0.22 1.83 -1.13 0.02 0.00 0.00 175.26 175.67 1x3c n SER 68 N 0.79 1.82 0.00 -1.70 3.41 -1.26 -4.91 113.62 111.77 1x3c n SER 68 Ca -0.19 0.95 0.00 0.00 -0.26 0.00 0.00 58.87 59.37 1x3c n SER 68 Cb 0.58 -1.06 0.00 0.00 -0.26 0.00 0.00 64.21 63.48 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 4.98 5.27 3.63 5.00 0.00 -1.26 -5.15 105.19 117.67 1x3c n GLY 69 Ca 0.34 -1.80 -0.29 0.00 0.00 0.00 0.00 46.02 44.27 1x3c n GLY 69 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x3c s PRO 70 N 1.92 -0.44 0.18 1.61 0.04 -1.26 -5.09 135.00 131.96 1x3c s PRO 70 Ca 0.00 0.22 0.00 0.00 0.04 0.00 0.00 61.00 61.26 1x3c s PRO 70 Cb 0.00 -1.66 -0.04 0.00 0.04 0.00 0.00 34.50 32.83 1x3c s PRO 70 CO 0.00 -3.25 0.06 0.45 0.04 0.00 0.00 177.00 174.30 1x3c s SER 71 N -3.66 0.72 -0.19 6.66 0.15 -1.26 -5.17 113.70 110.95 1x3c s SER 71 Ca 0.68 -1.26 -0.16 0.00 0.70 0.00 0.00 55.95 55.91 1x3c s SER 71 Cb -0.14 0.23 0.05 0.00 -1.71 0.00 0.00 66.02 64.45 1x3c s SER 71 CO 0.57 -0.70 0.50 -0.44 1.20 0.00 0.00 173.24 174.37 1x3c s SER 72 N -3.16 -0.56 0.00 5.45 0.01 -1.26 -5.37 113.70 108.81 1x3c s SER 72 Ca 0.29 1.04 0.00 0.00 1.31 0.00 0.00 55.95 58.59 1x3c s SER 72 Cb 0.07 1.01 0.00 0.00 0.21 0.00 0.00 66.02 67.31 1x3c s SER 72 CO 0.06 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.14