#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f1h n ALA 4 N 0.00 0.40 1.23 6.98 0.00 -1.26 -4.78 120.51 123.08 3f1h n ALA 4 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 3f1h n ALA 4 Cb 0.00 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.55 3f1h n ALA 4 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3f1h n TYR 5 N -0.75 0.32 0.98 0.00 4.02 -1.26 -3.73 117.16 116.74 3f1h n TYR 5 Ca 0.00 -0.15 0.11 0.00 -0.01 0.00 0.00 57.90 57.84 3f1h n TYR 5 Cb 0.00 -0.02 0.01 0.00 -0.02 0.00 0.00 39.34 39.31 3f1h n TYR 5 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 3f1h n ASP 6 N 0.15 0.81 0.04 7.72 8.00 -1.26 -4.32 116.55 127.70 3f1h n ASP 6 Ca 0.07 -0.72 -0.03 0.00 0.71 0.00 0.00 54.79 54.82 3f1h n ASP 6 Cb 0.21 0.76 -0.01 0.00 -0.02 0.00 0.00 41.12 42.06 3f1h n ASP 6 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3f1h h VAL 7 N 0.00 0.00 -2.83 2.53 2.07 -1.93 -3.43 116.25 112.67 3f1h h VAL 7 Ca 0.00 -0.72 -0.55 0.00 0.82 0.00 0.00 66.70 66.25 3f1h h VAL 7 Cb 0.51 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.28 3f1h h VAL 7 CO 0.00 0.00 0.91 -0.63 0.02 0.00 0.00 177.57 177.87 3f1h s ILE 8 N -2.16 3.67 -0.27 4.57 1.09 -1.26 -1.37 121.20 125.47 3f1h s ILE 8 Ca -0.03 1.00 -0.13 0.00 -1.10 0.00 0.00 60.65 60.39 3f1h s ILE 8 Cb 0.00 -3.64 -0.13 0.00 -1.06 0.00 0.00 42.46 37.63 3f1h s ILE 8 CO 0.09 -0.03 -0.30 0.18 -0.10 0.00 0.00 174.94 174.78 3f1h n LEU 9 N 5.86 2.04 -3.59 2.97 4.77 -0.25 -4.95 117.00 123.85 3f1h n LEU 9 Ca 0.14 0.31 -0.08 0.00 -0.03 0.00 0.00 56.01 56.35 3f1h n LEU 9 Cb 0.43 -0.84 -0.04 0.00 -2.33 0.00 0.00 43.42 40.64 3f1h n LEU 9 CO 0.59 0.59 0.87 0.00 -1.33 0.00 0.00 177.39 178.11 3f1h s ALA 10 N -2.50 -1.98 0.23 -1.18 0.00 -1.16 -5.03 121.76 110.14 3f1h s ALA 10 Ca -0.38 1.62 -0.30 0.00 0.00 0.00 0.00 51.96 52.91 3f1h s ALA 10 Cb 0.14 -0.78 -0.09 0.00 0.00 0.00 0.00 23.12 22.39 3f1h s ALA 10 CO 0.51 -0.34 1.14 -2.14 0.00 0.00 0.00 175.76 174.93 3f1h s PRO 11 N -1.31 4.57 -0.08 0.00 0.02 -1.26 -0.28 135.00 136.65 3f1h s PRO 11 Ca 0.02 1.83 -0.25 0.00 0.02 0.00 0.00 61.00 62.61 3f1h s PRO 11 Cb -0.01 -3.22 -0.03 0.00 0.02 0.00 0.00 34.50 31.26 3f1h s PRO 11 CO -0.02 0.06 0.80 0.54 -0.33 0.00 0.00 177.00 178.05 3f1h s VAL 12 N -0.59 4.96 -0.49 3.83 0.11 -1.17 -4.76 120.40 122.30 3f1h s VAL 12 Ca 0.49 1.62 -0.10 0.00 -2.93 0.00 0.00 61.98 61.06 3f1h s VAL 12 Cb -0.32 -4.12 0.12 0.00 -1.53 0.00 0.00 36.38 30.53 3f1h s VAL 12 CO 0.39 0.17 0.37 -0.76 -3.33 0.00 0.00 175.10 171.93 3f1h s LEU 13 N 1.24 5.75 -0.01 2.54 1.43 -1.26 -4.80 118.68 123.57 3f1h s LEU 13 Ca 0.41 -1.95 -0.15 0.00 -1.03 0.00 0.00 54.13 51.40 3f1h s LEU 13 Cb -0.18 -2.03 0.02 0.00 0.03 0.00 0.00 46.19 44.04 3f1h s LEU 13 CO 0.18 -0.70 0.32 -0.94 0.23 0.00 0.00 176.35 175.45 3f1h s SER 14 N 2.67 -0.21 0.24 2.29 1.04 -1.26 -4.99 113.70 113.49 3f1h s SER 14 Ca 0.06 0.10 -0.11 0.00 0.48 0.00 0.00 55.95 56.48 3f1h s SER 14 Cb -0.26 0.32 0.35 0.00 0.10 0.00 0.00 66.02 66.53 3f1h s SER 14 CO -0.01 -0.46 1.60 -0.33 0.98 0.00 0.00 173.24 175.02 3f1h h GLU 15 N 3.81 0.01 -0.70 4.02 3.07 -1.99 0.26 114.58 123.06 3f1h h GLU 15 Ca -0.30 -0.00 0.01 0.00 -0.50 0.00 0.00 59.36 58.58 3f1h h GLU 15 Cb 1.18 -0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 29.05 3f1h h GLU 15 CO 0.40 0.01 0.46 -0.22 -1.40 0.00 0.00 179.01 178.25 3f1h h LYS 16 N 0.01 0.89 -0.34 2.33 3.64 -1.98 0.34 116.57 121.46 3f1h h LYS 16 Ca 0.38 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.61 3f1h h LYS 16 Cb 0.60 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 3f1h h LYS 16 CO -0.80 0.59 -0.22 0.00 -2.27 0.00 0.00 179.45 176.75 3f1h h ALA 17 N 1.27 0.99 -0.23 5.00 0.00 -1.36 -3.00 119.26 121.93 3f1h h ALA 17 Ca 0.26 -0.35 -0.18 0.00 0.00 0.00 0.00 54.91 54.64 3f1h h ALA 17 Cb -0.07 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 3f1h h ALA 17 CO -0.07 0.60 -0.57 1.88 0.00 0.00 0.00 179.25 181.08 3f1h h TYR 18 N 0.57 0.91 0.00 0.00 0.05 0.13 -2.87 116.97 115.77 3f1h h TYR 18 Ca 0.08 -0.33 -0.01 0.00 0.05 0.00 0.00 58.73 58.53 3f1h h TYR 18 Cb 0.69 -0.17 -0.00 0.00 1.01 0.00 0.00 36.73 38.26 3f1h h TYR 18 CO 0.03 1.12 -0.03 0.00 -1.05 0.00 0.00 178.16 178.22 3f1h h ALA 19 N 0.81 1.51 0.00 3.88 0.00 -0.82 0.47 119.26 125.12 3f1h h ALA 19 Ca 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3f1h h ALA 19 Cb 1.15 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3f1h h ALA 19 CO 0.12 0.04 0.00 0.78 0.00 0.00 0.00 179.25 180.19 3f1h h GLY 20 N 0.21 0.00 2.00 0.00 0.00 -1.39 -3.09 103.07 100.80 3f1h h GLY 20 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 3f1h h GLY 20 CO 0.00 0.00 -0.17 0.74 0.00 0.00 0.00 176.54 177.12 3f1h h PHE 21 N 0.00 0.00 0.03 5.60 0.05 -0.97 -2.67 116.94 118.98 3f1h h PHE 21 Ca 0.00 0.00 0.01 0.00 3.82 0.00 0.00 57.97 61.80 3f1h h PHE 21 Cb 0.58 0.00 -0.03 0.00 2.00 0.00 0.00 35.95 38.50 3f1h h PHE 21 CO 0.00 0.17 -0.28 0.00 -0.18 0.00 0.00 178.31 178.02 3f1h h ALA 22 N 1.83 -0.76 -2.02 2.45 0.00 -1.69 -3.41 119.26 115.66 3f1h h ALA 22 Ca -0.00 -0.05 -0.41 0.00 0.00 0.00 0.00 54.91 54.45 3f1h h ALA 22 Cb 0.40 0.72 0.20 0.00 0.00 0.00 0.00 17.79 19.11 3f1h h ALA 22 CO 0.02 -0.84 0.03 -1.21 0.00 0.00 0.00 179.25 177.25 3f1h s GLU 23 N -4.45 -1.78 0.00 0.00 8.01 -1.15 -4.86 118.70 114.47 3f1h s GLU 23 Ca -0.09 0.10 0.00 0.00 0.01 0.00 0.00 54.97 54.99 3f1h s GLU 23 Cb 0.03 -1.52 0.00 0.00 -4.31 0.00 0.00 34.13 28.34 3f1h s GLU 23 CO 0.32 -4.11 1.47 0.41 0.01 0.00 0.00 175.26 173.36 3f1h n GLY 24 N 0.03 2.05 3.22 -1.39 0.00 -1.26 -4.75 105.19 103.10 3f1h n GLY 24 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 3f1h n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3f1h s LYS 25 N 0.29 3.53 0.28 1.61 1.02 -1.02 -0.43 119.74 125.03 3f1h s LYS 25 Ca 0.00 -3.01 -0.11 0.00 0.02 0.00 0.00 55.97 52.87 3f1h s LYS 25 Cb 0.00 -4.20 -0.08 0.00 -0.52 0.00 0.00 37.83 33.03 3f1h s LYS 25 CO 0.00 -1.25 0.64 0.71 -0.92 0.00 0.00 175.35 174.53 3f1h s TYR 26 N -0.86 3.41 -0.14 3.18 1.51 -0.04 -3.76 117.35 120.63 3f1h s TYR 26 Ca 0.25 1.01 -0.09 0.00 -1.01 0.00 0.00 57.07 57.23 3f1h s TYR 26 Cb -0.10 -2.37 0.05 0.00 -0.11 0.00 0.00 41.96 39.42 3f1h s TYR 26 CO -0.09 0.17 0.35 -0.08 -1.11 0.00 0.00 175.55 174.79 3f1h s THR 27 N -1.94 -0.02 0.12 -0.71 -1.32 -1.26 0.19 115.64 110.70 3f1h s THR 27 Ca 0.50 0.08 -0.13 0.00 -1.21 0.00 0.00 61.69 60.93 3f1h s THR 27 Cb -0.11 -0.52 0.02 0.00 -1.51 0.00 0.00 72.50 70.38 3f1h s THR 27 CO 0.21 0.03 0.33 0.72 -2.21 0.00 0.00 174.62 173.70 3f1h s PHE 28 N 1.00 -0.02 0.36 9.09 -0.12 -0.01 -3.06 117.98 125.22 3f1h s PHE 28 Ca -0.07 -0.34 -0.28 0.00 -0.05 0.00 0.00 56.93 56.19 3f1h s PHE 28 Cb -0.07 0.13 -0.10 0.00 -0.63 0.00 0.00 43.02 42.35 3f1h s PHE 28 CO -0.08 -0.67 1.33 -1.58 -0.05 0.00 0.00 175.22 174.18 3f1h s TRP 29 N -3.85 2.92 0.22 3.49 0.52 0.61 -2.05 118.94 120.80 3f1h s TRP 29 Ca 0.06 1.37 -0.04 0.00 0.02 0.00 0.00 56.10 57.51 3f1h s TRP 29 Cb 0.03 -3.73 -0.03 0.00 -1.15 0.00 0.00 33.47 28.58 3f1h s TRP 29 CO -0.10 -2.10 0.23 0.08 0.02 0.00 0.00 176.95 175.08 3f1h s VAL 30 N -1.17 0.00 0.38 4.03 1.01 -0.35 -1.09 120.40 123.21 3f1h s VAL 30 Ca 0.51 -1.85 -0.28 0.00 0.00 0.00 0.00 61.98 60.37 3f1h s VAL 30 Cb -0.40 -2.43 -0.11 0.00 0.00 0.00 0.00 36.38 33.44 3f1h s VAL 30 CO 0.54 0.00 1.45 1.57 0.00 0.00 0.00 175.10 178.66 3f1h n HIS 31 N -0.31 2.85 0.16 5.22 -0.00 -0.47 -3.50 115.22 119.17 3f1h n HIS 31 Ca 0.01 0.46 0.02 0.00 0.46 0.00 0.00 57.72 58.67 3f1h n HIS 31 Cb 0.65 -2.51 0.34 0.00 -0.12 0.00 0.00 29.99 28.35 3f1h n HIS 31 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 3f1h h PRO 32 N 2.82 0.07 -1.22 1.57 0.11 -1.93 -1.92 132.00 131.50 3f1h h PRO 32 Ca -0.50 -0.03 -0.39 0.00 0.11 0.00 0.00 66.00 65.19 3f1h h PRO 32 Cb 1.25 -0.00 -0.19 0.00 0.11 0.00 0.00 31.00 32.17 3f1h h PRO 32 CO 0.63 0.42 0.51 1.63 -0.21 0.00 0.00 178.00 180.98 3f1h n LYS 33 N -4.11 1.97 -3.98 1.05 5.02 -1.26 -4.87 118.16 111.98 3f1h n LYS 33 Ca -0.02 -2.02 -0.36 0.00 -2.02 0.00 0.00 58.31 53.89 3f1h n LYS 33 Cb 0.40 -1.79 -0.07 0.00 -0.02 0.00 0.00 35.03 33.55 3f1h n LYS 33 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3f1h s ALA 34 N -2.30 3.70 -0.03 7.82 0.00 -0.72 -5.09 121.76 125.12 3f1h s ALA 34 Ca 0.39 -0.69 -0.13 0.00 0.00 0.00 0.00 51.96 51.53 3f1h s ALA 34 Cb 0.32 -1.89 -0.05 0.00 0.00 0.00 0.00 23.12 21.50 3f1h s ALA 34 CO 0.02 0.53 0.36 0.99 0.00 0.00 0.00 175.76 177.66 3f1h s THR 35 N -0.73 5.13 0.45 0.00 2.01 -1.26 -4.94 115.64 116.30 3f1h s THR 35 Ca 0.13 0.71 0.26 0.00 0.31 0.00 0.00 61.69 63.10 3f1h s THR 35 Cb -0.12 -3.65 0.46 0.00 0.01 0.00 0.00 72.50 69.20 3f1h s THR 35 CO 0.03 0.57 1.75 0.11 -0.69 0.00 0.00 174.62 176.39 3f1h h LYS 36 N 4.92 0.22 -0.07 4.92 1.57 -1.98 0.64 116.57 126.79 3f1h h LYS 36 Ca -0.51 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.20 3f1h h LYS 36 Cb 1.22 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.48 3f1h h LYS 36 CO 0.62 0.14 -0.18 1.15 -0.57 0.00 0.00 179.45 180.61 3f1h h THR 37 N 0.22 1.43 0.00 -0.16 2.02 -1.97 -2.10 112.91 112.35 3f1h h THR 37 Ca 0.63 -1.54 -0.05 0.00 0.77 0.00 0.00 66.41 66.22 3f1h h THR 37 Cb 1.94 2.27 -0.01 0.00 -1.74 0.00 0.00 68.15 70.61 3f1h h THR 37 CO -0.23 0.43 -0.24 1.05 0.37 0.00 0.00 175.52 176.90 3f1h h GLU 38 N -0.27 0.00 -0.01 6.66 4.11 -1.11 -2.17 114.58 121.80 3f1h h GLU 38 Ca -0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.43 3f1h h GLU 38 Cb 0.79 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.04 3f1h h GLU 38 CO 0.04 0.24 0.00 0.82 0.07 0.00 0.00 179.01 180.18 3f1h h ILE 39 N 0.00 1.07 0.17 -1.06 1.08 0.19 -2.09 117.51 116.87 3f1h h ILE 39 Ca -0.00 -0.21 -0.00 0.00 -0.39 0.00 0.00 64.86 64.26 3f1h h ILE 39 Cb 0.72 1.20 -0.02 0.00 -3.07 0.00 0.00 36.82 35.65 3f1h h ILE 39 CO 0.03 0.05 -0.26 0.50 -0.69 0.00 0.00 178.15 177.78 3f1h h LYS 40 N -0.07 -0.44 0.00 2.37 3.64 -0.80 0.22 116.57 121.49 3f1h h LYS 40 Ca 0.00 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3f1h h LYS 40 Cb 0.09 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 3f1h h LYS 40 CO -0.00 -0.29 0.18 -0.91 -2.27 0.00 0.00 179.45 176.16 3f1h h ASN 41 N -0.45 0.00 0.00 4.20 -0.26 -1.46 0.18 115.58 117.78 3f1h h ASN 41 Ca -0.02 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.72 3f1h h ASN 41 Cb 0.42 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.68 3f1h h ASN 41 CO -0.08 0.00 -0.07 0.00 -1.06 0.00 0.00 177.43 176.22 3f1h h ALA 42 N 1.63 0.00 -1.02 -0.83 0.00 -0.60 -3.11 119.26 115.33 3f1h h ALA 42 Ca 0.00 -0.13 0.26 0.00 0.00 0.00 0.00 54.91 55.03 3f1h h ALA 42 Cb 0.37 0.07 -0.09 0.00 0.00 0.00 0.00 17.79 18.13 3f1h h ALA 42 CO 0.00 0.07 0.66 -0.24 0.00 0.00 0.00 179.25 179.74 3f1h h VAL 43 N -0.32 0.55 0.52 0.00 3.04 -0.33 0.29 116.25 120.01 3f1h h VAL 43 Ca 0.00 -0.14 -0.02 0.00 -1.01 0.00 0.00 66.70 65.53 3f1h h VAL 43 Cb 0.07 0.12 -0.01 0.00 -2.01 0.00 0.00 31.29 29.46 3f1h h VAL 43 CO 0.00 0.07 -0.36 -0.08 -1.01 0.00 0.00 177.57 176.19 3f1h h GLU 44 N 0.40 -0.81 -1.00 4.17 4.81 -0.82 -2.68 114.58 118.65 3f1h h GLU 44 Ca 0.57 0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.85 3f1h h GLU 44 Cb 1.45 0.18 -0.01 0.00 0.63 0.00 0.00 28.75 31.01 3f1h h GLU 44 CO -0.27 -0.54 0.01 0.25 -0.73 0.00 0.00 179.01 177.73 3f1h n THR 45 N -4.64 0.72 0.00 0.32 -2.24 0.04 -0.02 114.28 108.46 3f1h n THR 45 Ca -0.10 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 3f1h n THR 45 Cb 0.36 -0.81 0.00 0.00 -2.10 0.00 0.00 70.33 67.78 3f1h n THR 45 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3f1h n ALA 46 N 0.30 0.64 -1.24 6.98 0.00 -0.88 -4.77 120.51 121.54 3f1h n ALA 46 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3f1h n ALA 46 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 3f1h n ALA 46 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3f1h n PHE 47 N -0.33 0.00 -3.36 0.00 3.01 -1.03 -5.06 117.46 110.69 3f1h n PHE 47 Ca 0.00 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 58.14 3f1h n PHE 47 Cb 0.00 0.03 0.03 0.00 -0.01 0.00 0.00 39.48 39.53 3f1h n PHE 47 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 3f1h n LYS 48 N 0.00 -2.02 -3.63 -1.08 5.02 0.96 -4.98 118.16 112.43 3f1h n LYS 48 Ca 0.00 1.58 -0.11 0.00 -2.02 0.00 0.00 58.31 57.77 3f1h n LYS 48 Cb 0.45 -2.85 -0.07 0.00 -0.02 0.00 0.00 35.03 32.55 3f1h n LYS 48 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3f1h s VAL 49 N -1.71 0.00 0.02 -0.18 -7.23 -1.21 -5.04 120.40 105.05 3f1h s VAL 49 Ca 0.35 0.00 -0.30 0.00 -1.81 0.00 0.00 61.98 60.22 3f1h s VAL 49 Cb -0.05 -1.00 -0.06 0.00 0.56 0.00 0.00 36.38 35.84 3f1h s VAL 49 CO 0.85 0.00 1.33 -0.75 -0.31 0.00 0.00 175.10 176.22 3f1h s LYS 50 N 0.24 4.32 -0.16 4.82 2.36 -1.26 -4.51 119.74 125.55 3f1h s LYS 50 Ca 0.02 1.90 -0.12 0.00 -2.55 0.00 0.00 55.97 55.22 3f1h s LYS 50 Cb -0.05 -3.49 -0.05 0.00 -1.05 0.00 0.00 37.83 33.20 3f1h s LYS 50 CO -0.04 -0.48 0.24 0.08 1.55 0.00 0.00 175.35 176.70 3f1h s VAL 51 N 1.97 5.34 -0.13 4.02 1.01 -1.26 -0.65 120.40 130.69 3f1h s VAL 51 Ca 0.62 0.43 0.17 0.00 0.00 0.00 0.00 61.98 63.20 3f1h s VAL 51 Cb -0.31 -3.57 -0.24 0.00 0.00 0.00 0.00 36.38 32.26 3f1h s VAL 51 CO 0.27 0.44 0.18 0.52 0.00 0.00 0.00 175.10 176.51 3f1h n VAL 52 N 3.27 0.81 -3.63 2.92 0.31 0.23 -4.89 118.33 117.35 3f1h n VAL 52 Ca -0.14 -0.65 -0.14 0.00 -0.01 0.00 0.00 64.34 63.40 3f1h n VAL 52 Cb 0.52 -0.33 -0.07 0.00 -0.91 0.00 0.00 33.84 33.05 3f1h n VAL 52 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 3f1h s LYS 53 N -2.73 0.83 -0.08 5.55 2.20 -1.19 -4.99 119.74 119.33 3f1h s LYS 53 Ca -0.08 0.99 0.02 0.00 -0.36 0.00 0.00 55.97 56.53 3f1h s LYS 53 Cb 0.08 0.41 0.02 0.00 -1.51 0.00 0.00 37.83 36.82 3f1h s LYS 53 CO 0.75 -0.10 -0.12 0.08 -0.36 0.00 0.00 175.35 175.60 3f1h s VAL 54 N 0.37 1.17 -0.08 4.02 1.01 -1.26 -0.12 120.40 125.51 3f1h s VAL 54 Ca 0.00 -0.47 -0.01 0.00 0.00 0.00 0.00 61.98 61.50 3f1h s VAL 54 Cb -0.05 -1.09 -0.03 0.00 0.00 0.00 0.00 36.38 35.20 3f1h s VAL 54 CO 0.01 0.37 -0.01 0.20 0.00 0.00 0.00 175.10 175.67 3f1h s ASN 55 N 0.91 5.11 0.22 3.32 0.02 -0.81 -4.96 114.94 118.75 3f1h s ASN 55 Ca -0.10 0.10 0.03 0.00 -1.02 0.00 0.00 52.86 51.88 3f1h s ASN 55 Cb -0.15 -1.42 -0.05 0.00 0.02 0.00 0.00 41.25 39.64 3f1h s ASN 55 CO 0.01 0.37 0.00 0.42 0.02 0.00 0.00 177.10 177.92 3f1h s THR 56 N -0.82 0.95 -0.13 1.60 -4.23 -1.26 0.48 115.64 112.21 3f1h s THR 56 Ca 0.12 -2.02 -0.30 0.00 -1.18 0.00 0.00 61.69 58.31 3f1h s THR 56 Cb -0.11 -2.32 0.13 0.00 1.34 0.00 0.00 72.50 71.53 3f1h s THR 56 CO 0.02 -0.33 1.02 -1.48 -0.54 0.00 0.00 174.62 173.30 3f1h s LEU 57 N -3.28 -0.32 0.31 4.79 0.05 -0.17 -4.98 118.68 115.07 3f1h s LEU 57 Ca 0.28 0.24 -0.11 0.00 0.05 0.00 0.00 54.13 54.59 3f1h s LEU 57 Cb 0.06 1.80 -0.07 0.00 -2.05 0.00 0.00 46.19 45.92 3f1h s LEU 57 CO 0.08 -0.38 0.67 -1.00 -0.55 0.00 0.00 176.35 175.17 3f1h s HIS 58 N -1.73 3.42 -0.32 3.48 3.76 -1.26 -1.09 115.29 121.54 3f1h s HIS 58 Ca 0.02 1.02 0.04 0.00 -0.15 0.00 0.00 55.06 55.98 3f1h s HIS 58 Cb -0.01 -2.39 0.09 0.00 1.11 0.00 0.00 32.58 31.38 3f1h s HIS 58 CO -0.02 0.11 0.01 0.08 -0.85 0.00 0.00 174.74 174.07 3f1h s VAL 59 N -2.04 2.25 0.08 -0.90 1.01 0.17 -4.87 120.40 116.11 3f1h s VAL 59 Ca 0.50 -2.18 -0.31 0.00 0.00 0.00 0.00 61.98 59.99 3f1h s VAL 59 Cb -0.11 -2.59 -0.11 0.00 0.00 0.00 0.00 36.38 33.58 3f1h s VAL 59 CO 0.23 -0.46 1.87 -1.14 0.00 0.00 0.00 175.10 175.59 3f1h n ARG 60 N 4.29 2.73 -2.18 2.72 0.63 -1.26 -2.55 116.66 121.05 3f1h n ARG 60 Ca -0.00 1.00 -0.42 0.00 -0.92 0.00 0.00 57.85 57.51 3f1h n ARG 60 Cb 0.42 -2.90 -0.03 0.00 0.45 0.00 0.00 32.46 30.40 3f1h n ARG 60 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 3f1h s GLY 61 N 3.20 2.32 0.54 5.14 0.00 -1.26 -4.97 107.32 112.29 3f1h s GLY 61 Ca 0.85 1.14 -0.21 0.00 0.00 0.00 0.00 44.72 46.49 3f1h s GLY 61 CO 0.40 2.17 1.28 0.54 0.00 0.00 0.00 173.10 177.48 3f1h s LYS 62 N 0.15 3.22 -0.44 2.90 1.02 -1.26 -4.62 119.74 120.72 3f1h s LYS 62 Ca 0.59 2.03 -0.12 0.00 0.02 0.00 0.00 55.97 58.49 3f1h s LYS 62 Cb -0.37 -2.20 0.07 0.00 -0.52 0.00 0.00 37.83 34.81 3f1h s LYS 62 CO 0.37 -1.06 0.31 0.15 -0.92 0.00 0.00 175.35 174.20 3f1h s LYS 63 N -2.97 2.77 0.24 1.68 -0.14 -1.26 -1.21 119.74 118.85 3f1h s LYS 63 Ca 0.71 -1.39 -0.00 0.00 -1.36 0.00 0.00 55.97 53.93 3f1h s LYS 63 Cb -0.35 -3.92 0.05 0.00 -1.68 0.00 0.00 37.83 31.92 3f1h s LYS 63 CO 0.41 -0.97 0.33 1.63 -0.76 0.00 0.00 175.35 175.99 3f1h n LYS 64 N 5.04 0.34 -3.61 1.68 5.02 -1.22 -4.90 118.16 120.52 3f1h n LYS 64 Ca -0.11 -0.87 -0.02 0.00 -2.02 0.00 0.00 58.31 55.29 3f1h n LYS 64 Cb 0.43 -0.23 -0.06 0.00 -0.02 0.00 0.00 35.03 35.16 3f1h n LYS 64 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 3f1h s ARG 65 N -3.30 0.39 -0.42 1.97 3.03 -1.26 -2.08 118.95 117.29 3f1h s ARG 65 Ca 0.22 0.72 -0.11 0.00 2.03 0.00 0.00 55.73 58.59 3f1h s ARG 65 Cb -0.01 0.15 0.06 0.00 -1.03 0.00 0.00 34.95 34.12 3f1h s ARG 65 CO 0.14 -0.09 0.27 -1.17 -1.13 0.00 0.00 175.30 173.33 3f1h s LEU 66 N 1.56 5.12 0.00 -1.89 0.20 -0.73 -4.97 118.68 117.97 3f1h s LEU 66 Ca -0.08 -1.31 0.00 0.00 0.69 0.00 0.00 54.13 53.43 3f1h s LEU 66 Cb -0.04 -2.04 0.00 0.00 -0.43 0.00 0.00 46.19 43.68 3f1h s LEU 66 CO -0.16 -0.51 0.00 0.61 -0.29 0.00 0.00 176.35 176.00 3f1h n GLY 67 N 5.00 1.61 0.00 7.98 0.00 -1.26 -2.45 105.19 116.07 3f1h n GLY 67 Ca -0.11 -0.60 0.07 0.00 0.00 0.00 0.00 46.02 45.37 3f1h n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3f1h n ARG 68 N 7.31 0.09 -3.25 1.61 -4.01 -1.26 -4.64 116.66 112.51 3f1h n ARG 68 Ca 0.00 0.22 -0.41 0.00 -1.04 0.00 0.00 57.85 56.61 3f1h n ARG 68 Cb 0.00 -1.50 -0.08 0.00 -3.04 0.00 0.00 32.46 27.84 3f1h n ARG 68 CO 0.00 0.00 0.00 0.71 -3.04 0.00 0.00 177.63 175.30 3f1h s TYR 69 N -2.80 3.18 -0.15 2.89 1.51 -1.03 -5.05 117.35 115.90 3f1h s TYR 69 Ca 0.09 0.12 -0.14 0.00 -1.01 0.00 0.00 57.07 56.13 3f1h s TYR 69 Cb 0.09 -2.92 -0.05 0.00 -0.11 0.00 0.00 41.96 38.97 3f1h s TYR 69 CO 0.23 -0.56 0.32 -1.17 -1.11 0.00 0.00 175.55 173.26 3f1h s LEU 70 N 2.37 4.26 0.00 -1.29 0.20 -1.26 -1.77 118.68 121.19 3f1h s LEU 70 Ca 0.18 0.57 0.00 0.00 0.69 0.00 0.00 54.13 55.57 3f1h s LEU 70 Cb -0.16 -2.42 0.00 0.00 -0.43 0.00 0.00 46.19 43.18 3f1h s LEU 70 CO 0.13 0.09 0.00 0.61 -0.29 0.00 0.00 176.35 176.90 3f1h n GLY 71 N 3.30 4.55 3.43 7.98 0.00 -0.88 -5.01 105.19 118.56 3f1h n GLY 71 Ca -0.11 -1.31 -0.11 0.00 0.00 0.00 0.00 46.02 44.49 3f1h n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3f1h s LYS 72 N 0.56 0.56 0.67 1.61 1.02 -1.26 -3.39 119.74 119.51 3f1h s LYS 72 Ca 0.00 0.89 -0.11 0.00 0.02 0.00 0.00 55.97 56.76 3f1h s LYS 72 Cb 0.00 0.14 -0.01 0.00 -0.52 0.00 0.00 37.83 37.44 3f1h s LYS 72 CO 0.00 -0.13 1.06 1.03 -0.92 0.00 0.00 175.35 176.39 3f1h s ARG 73 N 1.05 3.15 0.41 1.68 0.52 -0.35 -4.88 118.95 120.53 3f1h s ARG 73 Ca -0.06 0.69 -0.22 0.00 -0.52 0.00 0.00 55.73 55.62 3f1h s ARG 73 Cb -0.06 -2.03 -0.11 0.00 0.52 0.00 0.00 34.95 33.27 3f1h s ARG 73 CO -0.10 -0.88 0.94 -1.25 0.02 0.00 0.00 175.30 174.04 3f1h s PRO 74 N -5.21 4.29 0.68 3.54 0.04 -1.26 -4.55 135.00 132.53 3f1h s PRO 74 Ca 0.57 1.14 -0.11 0.00 0.04 0.00 0.00 61.00 62.64 3f1h s PRO 74 Cb -0.12 -2.30 -0.00 0.00 0.04 0.00 0.00 34.50 32.11 3f1h s PRO 74 CO 0.54 0.03 1.05 -0.51 0.04 0.00 0.00 177.00 178.15 3f1h s ASP 75 N -2.08 5.61 0.04 6.66 1.11 -1.26 -4.36 116.67 122.38 3f1h s ASP 75 Ca 0.59 1.51 -0.11 0.00 0.18 0.00 0.00 52.55 54.73 3f1h s ASP 75 Cb -0.11 -2.43 0.01 0.00 1.07 0.00 0.00 42.92 41.46 3f1h s ASP 75 CO 0.15 -1.28 0.22 -0.13 1.18 0.00 0.00 175.17 175.31 3f1h s ARG 76 N -5.11 0.72 -0.39 8.23 3.00 -1.06 -4.94 118.95 119.40 3f1h s ARG 76 Ca 0.57 -0.58 -0.09 0.00 0.00 0.00 0.00 55.73 55.64 3f1h s ARG 76 Cb -0.13 0.30 0.06 0.00 0.00 0.00 0.00 34.95 35.18 3f1h s ARG 76 CO 0.54 -0.21 0.21 0.21 0.00 0.00 0.00 175.30 176.05 3f1h s LYS 77 N -2.49 2.62 0.16 3.54 2.20 -1.23 0.42 119.74 124.97 3f1h s LYS 77 Ca -0.06 -1.34 -0.26 0.00 -0.36 0.00 0.00 55.97 53.95 3f1h s LYS 77 Cb -0.01 -3.69 -0.08 0.00 -1.51 0.00 0.00 37.83 32.54 3f1h s LYS 77 CO -0.03 -0.85 0.81 0.21 -0.36 0.00 0.00 175.35 175.13 3f1h s LYS 78 N 1.43 4.62 0.01 4.03 2.20 -0.25 -1.21 119.74 130.56 3f1h s LYS 78 Ca 0.02 1.22 0.01 0.00 -0.36 0.00 0.00 55.97 56.86 3f1h s LYS 78 Cb -0.22 -3.28 -0.01 0.00 -1.51 0.00 0.00 37.83 32.82 3f1h s LYS 78 CO 0.03 0.51 -0.04 0.00 -0.36 0.00 0.00 175.35 175.49 3f1h s ALA 79 N -0.97 0.29 -0.26 3.13 0.00 -0.87 -1.00 121.76 122.08 3f1h s ALA 79 Ca 0.38 -0.25 0.02 0.00 0.00 0.00 0.00 51.96 52.10 3f1h s ALA 79 Cb -0.23 -0.03 0.06 0.00 0.00 0.00 0.00 23.12 22.92 3f1h s ALA 79 CO 0.27 0.03 -0.07 0.96 0.00 0.00 0.00 175.76 176.95 3f1h s ILE 80 N -0.36 1.93 0.18 0.00 -4.36 0.18 -0.83 121.20 117.94 3f1h s ILE 80 Ca -0.02 -1.54 -0.20 0.00 -0.26 0.00 0.00 60.65 58.63 3f1h s ILE 80 Cb -0.03 -2.13 -0.08 0.00 1.25 0.00 0.00 42.46 41.47 3f1h s ILE 80 CO -0.00 -0.11 0.69 0.68 0.24 0.00 0.00 174.94 176.44 3f1h s VAL 81 N 1.20 4.59 -0.26 8.37 -7.23 0.50 -1.92 120.40 125.65 3f1h s VAL 81 Ca -0.06 1.29 -0.07 0.00 -1.81 0.00 0.00 61.98 61.33 3f1h s VAL 81 Cb -0.19 -3.90 -0.02 0.00 0.56 0.00 0.00 36.38 32.83 3f1h s VAL 81 CO -0.06 0.32 0.06 -1.58 -0.31 0.00 0.00 175.10 173.52 3f1h s GLN 82 N -1.71 3.48 0.10 4.82 2.00 0.83 -0.87 119.66 128.32 3f1h s GLN 82 Ca 0.39 -0.59 -0.10 0.00 -2.00 0.00 0.00 55.36 53.06 3f1h s GLN 82 Cb -0.18 -3.29 -0.06 0.00 0.80 0.00 0.00 33.01 30.28 3f1h s GLN 82 CO 0.21 -0.25 0.43 0.08 -0.50 0.00 0.00 175.29 175.26 3f1h s VAL 83 N 1.57 5.05 0.28 1.34 1.01 0.43 0.74 120.40 130.81 3f1h s VAL 83 Ca 0.05 0.50 -0.29 0.00 0.00 0.00 0.00 61.98 62.24 3f1h s VAL 83 Cb -0.15 -3.66 -0.14 0.00 0.00 0.00 0.00 36.38 32.43 3f1h s VAL 83 CO 0.02 0.25 1.12 0.00 0.00 0.00 0.00 175.10 176.50 3f1h n ALA 84 N 0.80 0.13 -1.49 5.51 0.00 0.17 -4.74 120.51 120.89 3f1h n ALA 84 Ca -0.07 0.40 -0.52 0.00 0.00 0.00 0.00 53.44 53.25 3f1h n ALA 84 Cb 0.52 -2.09 -0.05 0.00 0.00 0.00 0.00 19.45 17.83 3f1h n ALA 84 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3f1h n PRO 85 N 0.97 0.35 0.00 0.00 -0.04 -1.26 -2.55 135.00 132.47 3f1h n PRO 85 Ca 0.10 0.13 0.00 0.00 -0.04 0.00 0.00 63.50 63.68 3f1h n PRO 85 Cb 0.32 -1.44 0.00 0.00 -0.04 0.00 0.00 33.50 32.34 3f1h n PRO 85 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3f1h n GLY 86 N 1.81 1.96 3.11 0.55 0.00 -1.26 -5.05 105.19 106.31 3f1h n GLY 86 Ca 0.18 -0.61 -0.27 0.00 0.00 0.00 0.00 46.02 45.31 3f1h n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f1h n GLN 87 N 0.00 -1.51 -3.49 1.61 10.64 -1.06 -5.05 117.38 118.52 3f1h n GLN 87 Ca 0.00 -0.44 -0.10 0.00 -1.83 0.00 0.00 57.00 54.63 3f1h n GLN 87 Cb 0.00 -1.46 -0.03 0.00 -0.86 0.00 0.00 30.24 27.89 3f1h n GLN 87 CO 0.00 0.00 0.00 -1.59 -1.83 0.00 0.00 177.06 173.64 3f1h s LYS 88 N -3.13 0.92 -0.58 2.61 -2.85 -1.26 -4.88 119.74 110.57 3f1h s LYS 88 Ca 0.43 -0.23 -0.16 0.00 -1.00 0.00 0.00 55.97 55.01 3f1h s LYS 88 Cb -0.05 0.43 0.13 0.00 -2.06 0.00 0.00 37.83 36.28 3f1h s LYS 88 CO 0.52 -0.38 0.56 0.42 0.10 0.00 0.00 175.35 176.57 3f1h s ILE 89 N -2.82 5.17 0.31 3.79 -1.09 -1.26 -4.93 121.20 120.38 3f1h s ILE 89 Ca 0.02 -1.50 0.02 0.00 -2.23 0.00 0.00 60.65 56.96 3f1h s ILE 89 Cb -0.01 -4.38 0.28 0.00 -1.58 0.00 0.00 42.46 36.77 3f1h s ILE 89 CO -0.07 -0.93 1.92 -0.33 -1.23 0.00 0.00 174.94 174.29 3f1h h GLU 90 N 8.84 0.94 -0.87 2.79 4.39 -1.98 -2.07 114.58 126.62 3f1h h GLU 90 Ca -0.26 -0.06 0.17 0.00 0.34 0.00 0.00 59.36 59.56 3f1h h GLU 90 Cb 1.09 -0.21 -0.10 0.00 -0.10 0.00 0.00 28.75 29.43 3f1h h GLU 90 CO 1.03 0.62 0.43 0.00 -1.16 0.00 0.00 179.01 179.93 3f1h h ALA 91 N 1.53 1.34 0.00 3.43 0.00 -2.01 0.19 119.26 123.74 3f1h h ALA 91 Ca 0.38 0.11 -0.13 0.00 0.00 0.00 0.00 54.91 55.27 3f1h h ALA 91 Cb 0.24 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3f1h h ALA 91 CO -0.14 -0.17 -0.70 -0.07 0.00 0.00 0.00 179.25 178.17 3f1h h LEU 92 N 0.56 0.00 -1.58 0.00 3.38 -1.83 -3.34 115.31 112.50 3f1h h LEU 92 Ca 0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.47 3f1h h LEU 92 Cb 0.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.54 3f1h h LEU 92 CO -0.42 0.59 0.00 -0.33 0.09 0.00 0.00 178.44 178.38 3f1h h GLU 93 N 0.00 0.00 0.00 1.13 4.39 -0.01 -3.52 114.58 116.57 3f1h h GLU 93 Ca -0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.67 3f1h h GLU 93 Cb 1.47 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.12 3f1h h GLU 93 CO 0.07 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.33