#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f1f n ALA 4 N 0.00 0.35 1.35 6.98 0.00 -1.26 -4.78 120.51 123.15 3f1f n ALA 4 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 3f1f n ALA 4 Cb 0.00 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.53 3f1f n ALA 4 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3f1f n TYR 5 N -0.76 0.27 1.01 0.00 4.02 -1.26 -3.65 117.16 116.80 3f1f n TYR 5 Ca 0.00 -0.13 0.11 0.00 -0.01 0.00 0.00 57.90 57.87 3f1f n TYR 5 Cb 0.00 -0.01 -0.00 0.00 -0.02 0.00 0.00 39.34 39.31 3f1f n TYR 5 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 3f1f n ASP 6 N 0.05 1.09 0.03 7.72 8.00 -1.26 -4.35 116.55 127.82 3f1f n ASP 6 Ca 0.06 -0.94 -0.02 0.00 0.71 0.00 0.00 54.79 54.60 3f1f n ASP 6 Cb 0.18 0.72 -0.01 0.00 -0.02 0.00 0.00 41.12 41.98 3f1f n ASP 6 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3f1f h VAL 7 N 0.50 0.00 -2.78 2.53 2.07 -1.93 -3.43 116.25 113.21 3f1f h VAL 7 Ca 0.00 -0.67 -0.55 0.00 0.82 0.00 0.00 66.70 66.31 3f1f h VAL 7 Cb 0.55 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.31 3f1f h VAL 7 CO 0.00 0.00 0.95 -0.63 0.02 0.00 0.00 177.57 177.91 3f1f s ILE 8 N -2.00 3.61 -0.26 4.57 1.09 -1.26 -1.52 121.20 125.42 3f1f s ILE 8 Ca -0.02 0.91 -0.14 0.00 -1.10 0.00 0.00 60.65 60.29 3f1f s ILE 8 Cb 0.00 -3.58 -0.14 0.00 -1.06 0.00 0.00 42.46 37.68 3f1f s ILE 8 CO 0.07 -0.03 -0.24 0.18 -0.10 0.00 0.00 174.94 174.81 3f1f n LEU 9 N 6.08 2.02 -3.58 2.97 4.77 -0.28 -4.95 117.00 124.03 3f1f n LEU 9 Ca 0.15 0.32 -0.09 0.00 -0.03 0.00 0.00 56.01 56.36 3f1f n LEU 9 Cb 0.43 -0.86 -0.05 0.00 -2.33 0.00 0.00 43.42 40.62 3f1f n LEU 9 CO 0.60 0.55 0.84 0.00 -1.33 0.00 0.00 177.39 178.05 3f1f s ALA 10 N -2.49 -1.96 0.23 -1.18 0.00 -1.16 -5.02 121.76 110.18 3f1f s ALA 10 Ca -0.37 1.59 -0.30 0.00 0.00 0.00 0.00 51.96 52.88 3f1f s ALA 10 Cb 0.13 -0.71 -0.09 0.00 0.00 0.00 0.00 23.12 22.45 3f1f s ALA 10 CO 0.52 -0.35 1.15 -2.14 0.00 0.00 0.00 175.76 174.95 3f1f s PRO 11 N -1.33 4.56 -0.07 0.00 0.02 -1.26 -0.17 135.00 136.74 3f1f s PRO 11 Ca 0.01 1.85 -0.26 0.00 0.02 0.00 0.00 61.00 62.62 3f1f s PRO 11 Cb -0.01 -3.22 -0.03 0.00 0.02 0.00 0.00 34.50 31.27 3f1f s PRO 11 CO -0.01 0.05 0.81 0.54 -0.33 0.00 0.00 177.00 178.06 3f1f s VAL 12 N -0.57 4.95 -0.49 3.83 0.11 -1.16 -4.76 120.40 122.32 3f1f s VAL 12 Ca 0.49 1.67 -0.11 0.00 -2.93 0.00 0.00 61.98 61.10 3f1f s VAL 12 Cb -0.32 -4.15 0.12 0.00 -1.53 0.00 0.00 36.38 30.50 3f1f s VAL 12 CO 0.39 0.17 0.38 -0.76 -3.33 0.00 0.00 175.10 171.95 3f1f s LEU 13 N 1.18 5.80 -0.01 2.54 1.43 -1.26 -4.80 118.68 123.57 3f1f s LEU 13 Ca 0.42 -1.87 -0.16 0.00 -1.03 0.00 0.00 54.13 51.49 3f1f s LEU 13 Cb -0.18 -2.06 0.03 0.00 0.03 0.00 0.00 46.19 44.01 3f1f s LEU 13 CO 0.20 -0.73 0.34 -0.94 0.23 0.00 0.00 176.35 175.45 3f1f s SER 14 N 2.87 -0.22 0.24 2.29 1.04 -1.26 -4.99 113.70 113.67 3f1f s SER 14 Ca 0.05 0.09 -0.08 0.00 0.48 0.00 0.00 55.95 56.49 3f1f s SER 14 Cb -0.27 0.34 0.41 0.00 0.10 0.00 0.00 66.02 66.60 3f1f s SER 14 CO 0.00 -0.49 1.62 -0.33 0.98 0.00 0.00 173.24 175.03 3f1f h GLU 15 N 3.69 0.06 -0.70 4.02 3.07 -1.99 0.33 114.58 123.07 3f1f h GLU 15 Ca -0.30 -0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.56 3f1f h GLU 15 Cb 1.18 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 29.04 3f1f h GLU 15 CO 0.41 0.04 0.44 -0.22 -1.40 0.00 0.00 179.01 178.28 3f1f h LYS 16 N 0.07 0.95 -0.34 2.33 3.64 -1.99 0.17 116.57 121.39 3f1f h LYS 16 Ca 0.40 -0.08 -0.12 0.00 -1.27 0.00 0.00 60.65 59.58 3f1f h LYS 16 Cb 0.69 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 3f1f h LYS 16 CO -0.71 0.66 -0.29 0.00 -2.27 0.00 0.00 179.45 176.85 3f1f h ALA 17 N 1.23 0.86 -0.42 5.00 0.00 -1.39 -3.02 119.26 121.53 3f1f h ALA 17 Ca 0.25 -0.39 -0.14 0.00 0.00 0.00 0.00 54.91 54.63 3f1f h ALA 17 Cb -0.05 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3f1f h ALA 17 CO -0.05 0.63 -0.29 1.88 0.00 0.00 0.00 179.25 181.42 3f1f h TYR 18 N 0.61 1.07 0.00 0.00 0.05 0.16 -2.83 116.97 116.03 3f1f h TYR 18 Ca 0.07 -0.28 -0.00 0.00 0.05 0.00 0.00 58.73 58.57 3f1f h TYR 18 Cb 0.79 -0.24 -0.00 0.00 1.01 0.00 0.00 36.73 38.29 3f1f h TYR 18 CO 0.04 1.09 -0.02 0.00 -1.05 0.00 0.00 178.16 178.21 3f1f h ALA 19 N 0.89 1.66 0.00 3.88 0.00 -0.86 0.82 119.26 125.65 3f1f h ALA 19 Ca 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3f1f h ALA 19 Cb 0.86 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3f1f h ALA 19 CO 0.08 0.03 0.00 0.78 0.00 0.00 0.00 179.25 180.13 3f1f h GLY 20 N 0.10 0.00 2.00 0.00 0.00 -1.38 -3.04 103.07 100.75 3f1f h GLY 20 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 3f1f h GLY 20 CO 0.00 0.00 -0.14 0.74 0.00 0.00 0.00 176.54 177.14 3f1f h PHE 21 N 0.00 0.00 0.09 5.60 0.05 -0.90 -2.70 116.94 119.08 3f1f h PHE 21 Ca 0.00 0.00 0.01 0.00 3.82 0.00 0.00 57.97 61.80 3f1f h PHE 21 Cb 0.56 0.00 -0.03 0.00 2.00 0.00 0.00 35.95 38.48 3f1f h PHE 21 CO 0.00 0.14 -0.34 0.00 -0.18 0.00 0.00 178.31 177.93 3f1f h ALA 22 N 1.86 -0.85 -1.99 2.45 0.00 -1.68 -3.41 119.26 115.65 3f1f h ALA 22 Ca -0.00 -0.07 -0.40 0.00 0.00 0.00 0.00 54.91 54.43 3f1f h ALA 22 Cb 0.33 0.73 0.20 0.00 0.00 0.00 0.00 17.79 19.05 3f1f h ALA 22 CO 0.02 -0.93 0.05 -1.21 0.00 0.00 0.00 179.25 177.18 3f1f s GLU 23 N -4.75 -1.82 0.00 0.00 8.01 -1.14 -4.85 118.70 114.15 3f1f s GLU 23 Ca -0.10 -0.02 0.00 0.00 0.01 0.00 0.00 54.97 54.85 3f1f s GLU 23 Cb 0.04 -1.52 0.00 0.00 -4.31 0.00 0.00 34.13 28.34 3f1f s GLU 23 CO 0.38 -4.12 1.47 0.41 0.01 0.00 0.00 175.26 173.42 3f1f n GLY 24 N -0.22 2.06 3.22 -1.39 0.00 -1.26 -4.75 105.19 102.85 3f1f n GLY 24 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 3f1f n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3f1f s LYS 25 N 0.28 3.61 0.31 1.61 1.02 -1.03 -0.50 119.74 125.04 3f1f s LYS 25 Ca 0.00 -3.09 -0.13 0.00 0.02 0.00 0.00 55.97 52.76 3f1f s LYS 25 Cb 0.00 -4.22 -0.08 0.00 -0.52 0.00 0.00 37.83 33.00 3f1f s LYS 25 CO 0.00 -1.25 0.70 0.71 -0.92 0.00 0.00 175.35 174.59 3f1f s TYR 26 N -1.02 3.39 -0.15 3.18 1.51 -0.22 -3.74 117.35 120.31 3f1f s TYR 26 Ca 0.27 1.12 -0.09 0.00 -1.01 0.00 0.00 57.07 57.36 3f1f s TYR 26 Cb -0.10 -2.47 0.05 0.00 -0.11 0.00 0.00 41.96 39.34 3f1f s TYR 26 CO -0.10 0.11 0.36 -0.08 -1.11 0.00 0.00 175.55 174.74 3f1f s THR 27 N -1.99 -0.02 0.12 -0.71 -1.32 -1.26 0.18 115.64 110.64 3f1f s THR 27 Ca 0.52 0.08 -0.14 0.00 -1.21 0.00 0.00 61.69 60.94 3f1f s THR 27 Cb -0.10 -0.54 0.03 0.00 -1.51 0.00 0.00 72.50 70.38 3f1f s THR 27 CO 0.20 0.03 0.35 0.72 -2.21 0.00 0.00 174.62 173.71 3f1f s PHE 28 N 1.01 -0.13 0.34 9.09 -0.12 0.05 -3.01 117.98 125.22 3f1f s PHE 28 Ca -0.07 -0.21 -0.29 0.00 -0.05 0.00 0.00 56.93 56.32 3f1f s PHE 28 Cb -0.07 0.19 -0.10 0.00 -0.63 0.00 0.00 43.02 42.40 3f1f s PHE 28 CO -0.08 -0.66 1.36 -1.58 -0.05 0.00 0.00 175.22 174.21 3f1f s TRP 29 N -3.80 2.91 0.20 3.49 0.52 0.77 -2.00 118.94 121.02 3f1f s TRP 29 Ca 0.03 1.34 -0.02 0.00 0.02 0.00 0.00 56.10 57.47 3f1f s TRP 29 Cb 0.02 -3.78 -0.04 0.00 -1.15 0.00 0.00 33.47 28.53 3f1f s TRP 29 CO -0.12 -2.20 0.15 0.08 0.02 0.00 0.00 176.95 174.89 3f1f s VAL 30 N -1.12 0.01 0.42 4.03 1.01 -0.15 -1.13 120.40 123.47 3f1f s VAL 30 Ca 0.50 -1.94 -0.26 0.00 0.00 0.00 0.00 61.98 60.28 3f1f s VAL 30 Cb -0.42 -2.43 -0.10 0.00 0.00 0.00 0.00 36.38 33.44 3f1f s VAL 30 CO 0.56 -0.05 1.45 1.57 0.00 0.00 0.00 175.10 178.64 3f1f n HIS 31 N -0.26 2.81 0.11 5.22 -0.00 -0.57 -3.45 115.22 119.07 3f1f n HIS 31 Ca 0.01 0.44 -0.00 0.00 0.46 0.00 0.00 57.72 58.63 3f1f n HIS 31 Cb 0.65 -2.49 0.29 0.00 -0.12 0.00 0.00 29.99 28.32 3f1f n HIS 31 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 3f1f h PRO 32 N 2.57 0.22 -1.21 1.57 0.11 -1.93 -1.98 132.00 131.35 3f1f h PRO 32 Ca -0.51 -0.08 -0.40 0.00 0.11 0.00 0.00 66.00 65.12 3f1f h PRO 32 Cb 1.26 -0.01 -0.19 0.00 0.11 0.00 0.00 31.00 32.16 3f1f h PRO 32 CO 0.62 0.52 0.51 1.63 -0.21 0.00 0.00 178.00 181.07 3f1f n LYS 33 N -4.11 1.97 -3.94 1.05 5.02 -1.26 -4.86 118.16 112.03 3f1f n LYS 33 Ca -0.01 -2.04 -0.37 0.00 -2.02 0.00 0.00 58.31 53.87 3f1f n LYS 33 Cb 0.41 -1.80 -0.07 0.00 -0.02 0.00 0.00 35.03 33.55 3f1f n LYS 33 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3f1f s ALA 34 N -2.32 3.78 -0.02 7.82 0.00 -0.74 -5.10 121.76 125.18 3f1f s ALA 34 Ca 0.40 -0.67 -0.14 0.00 0.00 0.00 0.00 51.96 51.55 3f1f s ALA 34 Cb 0.32 -1.91 -0.05 0.00 0.00 0.00 0.00 23.12 21.47 3f1f s ALA 34 CO 0.02 0.58 0.37 0.99 0.00 0.00 0.00 175.76 177.73 3f1f s THR 35 N -0.91 5.10 0.43 0.00 2.01 -1.26 -4.95 115.64 116.06 3f1f s THR 35 Ca 0.14 0.75 0.23 0.00 0.31 0.00 0.00 61.69 63.12 3f1f s THR 35 Cb -0.12 -3.67 0.43 0.00 0.01 0.00 0.00 72.50 69.15 3f1f s THR 35 CO 0.03 0.57 1.76 0.11 -0.69 0.00 0.00 174.62 176.41 3f1f h LYS 36 N 4.84 0.28 -0.11 4.92 1.57 -1.98 0.67 116.57 126.77 3f1f h LYS 36 Ca -0.52 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.19 3f1f h LYS 36 Cb 1.22 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.46 3f1f h LYS 36 CO 0.62 0.19 -0.14 1.15 -0.57 0.00 0.00 179.45 180.69 3f1f h THR 37 N 0.29 1.37 0.00 -0.16 2.02 -1.97 -2.02 112.91 112.44 3f1f h THR 37 Ca 0.62 -1.35 -0.05 0.00 0.77 0.00 0.00 66.41 66.39 3f1f h THR 37 Cb 1.76 2.02 -0.01 0.00 -1.74 0.00 0.00 68.15 70.18 3f1f h THR 37 CO -0.27 0.39 -0.24 1.05 0.37 0.00 0.00 175.52 176.83 3f1f h GLU 38 N -0.14 0.00 0.01 6.66 4.11 -1.28 -2.14 114.58 121.81 3f1f h GLU 38 Ca 0.01 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.44 3f1f h GLU 38 Cb 0.69 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.94 3f1f h GLU 38 CO 0.03 0.24 -0.00 0.82 0.07 0.00 0.00 179.01 180.17 3f1f h ILE 39 N 0.00 1.05 0.19 -1.06 1.08 0.31 -2.34 117.51 116.74 3f1f h ILE 39 Ca -0.00 -0.18 -0.00 0.00 -0.39 0.00 0.00 64.86 64.29 3f1f h ILE 39 Cb 0.78 1.17 -0.02 0.00 -3.07 0.00 0.00 36.82 35.69 3f1f h ILE 39 CO 0.03 0.05 -0.27 0.50 -0.69 0.00 0.00 178.15 177.77 3f1f h LYS 40 N -0.09 -0.45 0.00 2.37 3.64 -0.89 0.26 116.57 121.40 3f1f h LYS 40 Ca -0.00 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3f1f h LYS 40 Cb 0.08 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 3f1f h LYS 40 CO 0.00 -0.30 0.14 -0.91 -2.27 0.00 0.00 179.45 176.10 3f1f h ASN 41 N -0.47 0.00 0.00 4.20 -0.26 -1.45 0.12 115.58 117.72 3f1f h ASN 41 Ca -0.02 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.72 3f1f h ASN 41 Cb 0.43 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.69 3f1f h ASN 41 CO -0.07 0.00 -0.17 0.00 -1.06 0.00 0.00 177.43 176.13 3f1f h ALA 42 N 1.70 0.00 -0.99 -0.83 0.00 -0.79 -3.16 119.26 115.18 3f1f h ALA 42 Ca 0.00 -0.26 0.24 0.00 0.00 0.00 0.00 54.91 54.89 3f1f h ALA 42 Cb 0.27 0.17 -0.08 0.00 0.00 0.00 0.00 17.79 18.15 3f1f h ALA 42 CO 0.00 0.17 0.65 -0.24 0.00 0.00 0.00 179.25 179.82 3f1f h VAL 43 N -0.47 0.59 0.55 0.00 3.04 -0.22 -0.30 116.25 119.44 3f1f h VAL 43 Ca 0.00 -0.14 -0.02 0.00 -1.01 0.00 0.00 66.70 65.53 3f1f h VAL 43 Cb 0.17 0.14 -0.01 0.00 -2.01 0.00 0.00 31.29 29.59 3f1f h VAL 43 CO 0.00 0.08 -0.36 -0.08 -1.01 0.00 0.00 177.57 176.19 3f1f h GLU 44 N 0.41 -0.83 -1.00 4.17 4.81 -0.93 -2.65 114.58 118.56 3f1f h GLU 44 Ca 0.55 0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.83 3f1f h GLU 44 Cb 1.37 0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.93 3f1f h GLU 44 CO -0.25 -0.55 0.00 0.25 -0.73 0.00 0.00 179.01 177.73 3f1f n THR 45 N -4.66 0.47 0.00 0.32 -2.24 -0.18 0.07 114.28 108.07 3f1f n THR 45 Ca -0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 3f1f n THR 45 Cb 0.36 -0.73 0.00 0.00 -2.10 0.00 0.00 70.33 67.86 3f1f n THR 45 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3f1f n ALA 46 N 0.24 0.84 -1.21 6.98 0.00 -0.86 -4.76 120.51 121.73 3f1f n ALA 46 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3f1f n ALA 46 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.82 3f1f n ALA 46 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3f1f n PHE 47 N -0.46 0.00 -3.34 0.00 3.01 -1.01 -5.07 117.46 110.59 3f1f n PHE 47 Ca 0.00 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.17 3f1f n PHE 47 Cb 0.00 0.03 0.03 0.00 -0.01 0.00 0.00 39.48 39.53 3f1f n PHE 47 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 3f1f n LYS 48 N 0.00 -1.89 -3.64 -1.08 5.02 0.11 -4.98 118.16 111.70 3f1f n LYS 48 Ca 0.00 1.53 -0.09 0.00 -2.02 0.00 0.00 58.31 57.72 3f1f n LYS 48 Cb 0.47 -2.68 -0.07 0.00 -0.02 0.00 0.00 35.03 32.73 3f1f n LYS 48 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3f1f s VAL 49 N -1.63 0.00 0.01 -0.18 -7.23 -1.21 -5.04 120.40 105.12 3f1f s VAL 49 Ca 0.31 0.00 -0.30 0.00 -1.81 0.00 0.00 61.98 60.18 3f1f s VAL 49 Cb -0.04 -1.00 -0.05 0.00 0.56 0.00 0.00 36.38 35.85 3f1f s VAL 49 CO 0.77 0.00 1.31 -0.75 -0.31 0.00 0.00 175.10 176.12 3f1f s LYS 50 N 0.27 4.33 -0.15 4.82 2.36 -1.26 -4.50 119.74 125.61 3f1f s LYS 50 Ca 0.03 1.87 -0.12 0.00 -2.55 0.00 0.00 55.97 55.19 3f1f s LYS 50 Cb -0.05 -3.49 -0.05 0.00 -1.05 0.00 0.00 37.83 33.19 3f1f s LYS 50 CO -0.06 -0.47 0.26 0.08 1.55 0.00 0.00 175.35 176.71 3f1f s VAL 51 N 1.95 5.32 -0.15 4.02 1.01 -1.26 -0.59 120.40 130.71 3f1f s VAL 51 Ca 0.61 0.48 0.18 0.00 0.00 0.00 0.00 61.98 63.25 3f1f s VAL 51 Cb -0.30 -3.59 -0.26 0.00 0.00 0.00 0.00 36.38 32.24 3f1f s VAL 51 CO 0.26 0.44 0.16 0.52 0.00 0.00 0.00 175.10 176.49 3f1f n VAL 52 N 3.20 1.00 -3.62 2.92 0.31 0.22 -4.88 118.33 117.48 3f1f n VAL 52 Ca -0.14 -0.73 -0.14 0.00 -0.01 0.00 0.00 64.34 63.32 3f1f n VAL 52 Cb 0.52 -0.36 -0.07 0.00 -0.91 0.00 0.00 33.84 33.02 3f1f n VAL 52 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 3f1f s LYS 53 N -2.70 0.85 -0.08 5.55 2.20 -1.20 -4.99 119.74 119.37 3f1f s LYS 53 Ca -0.09 0.90 0.02 0.00 -0.36 0.00 0.00 55.97 56.44 3f1f s LYS 53 Cb 0.08 0.41 0.02 0.00 -1.51 0.00 0.00 37.83 36.83 3f1f s LYS 53 CO 0.81 -0.12 -0.11 0.08 -0.36 0.00 0.00 175.35 175.64 3f1f s VAL 54 N 0.20 1.09 -0.07 4.02 1.01 -1.26 -0.18 120.40 125.20 3f1f s VAL 54 Ca -0.01 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 61.55 3f1f s VAL 54 Cb -0.04 -1.02 -0.03 0.00 0.00 0.00 0.00 36.38 35.28 3f1f s VAL 54 CO 0.02 0.35 -0.05 0.20 0.00 0.00 0.00 175.10 175.62 3f1f s ASN 55 N 0.93 4.84 0.23 3.32 0.02 -0.83 -4.96 114.94 118.48 3f1f s ASN 55 Ca -0.10 0.03 0.03 0.00 -1.02 0.00 0.00 52.86 51.80 3f1f s ASN 55 Cb -0.15 -1.26 -0.05 0.00 0.02 0.00 0.00 41.25 39.81 3f1f s ASN 55 CO 0.01 0.37 0.01 0.42 0.02 0.00 0.00 177.10 177.92 3f1f s THR 56 N -0.84 0.90 -0.14 1.60 -4.23 -1.26 0.35 115.64 112.01 3f1f s THR 56 Ca 0.13 -2.02 -0.30 0.00 -1.18 0.00 0.00 61.69 58.32 3f1f s THR 56 Cb -0.11 -2.35 0.13 0.00 1.34 0.00 0.00 72.50 71.50 3f1f s THR 56 CO 0.02 -0.30 1.03 -1.48 -0.54 0.00 0.00 174.62 173.35 3f1f s LEU 57 N -3.29 -0.30 0.31 4.79 0.05 -0.28 -4.99 118.68 114.98 3f1f s LEU 57 Ca 0.29 0.21 -0.10 0.00 0.05 0.00 0.00 54.13 54.59 3f1f s LEU 57 Cb 0.06 1.76 -0.07 0.00 -2.05 0.00 0.00 46.19 45.90 3f1f s LEU 57 CO 0.09 -0.37 0.65 -1.00 -0.55 0.00 0.00 176.35 175.17 3f1f s HIS 58 N -1.79 3.44 -0.33 3.48 3.76 -1.26 -1.02 115.29 121.56 3f1f s HIS 58 Ca 0.02 0.92 0.04 0.00 -0.15 0.00 0.00 55.06 55.90 3f1f s HIS 58 Cb -0.01 -2.32 0.10 0.00 1.11 0.00 0.00 32.58 31.46 3f1f s HIS 58 CO -0.03 0.10 0.04 0.08 -0.85 0.00 0.00 174.74 174.08 3f1f s VAL 59 N -2.09 2.29 0.03 -0.90 1.01 0.19 -4.86 120.40 116.07 3f1f s VAL 59 Ca 0.49 -2.28 -0.33 0.00 0.00 0.00 0.00 61.98 59.86 3f1f s VAL 59 Cb -0.11 -2.67 -0.11 0.00 0.00 0.00 0.00 36.38 33.49 3f1f s VAL 59 CO 0.26 -0.55 1.84 -1.14 0.00 0.00 0.00 175.10 175.50 3f1f n ARG 60 N 4.27 2.46 -2.20 2.72 0.63 -1.26 -2.60 116.66 120.68 3f1f n ARG 60 Ca 0.02 0.90 -0.41 0.00 -0.92 0.00 0.00 57.85 57.44 3f1f n ARG 60 Cb 0.42 -2.76 -0.03 0.00 0.45 0.00 0.00 32.46 30.54 3f1f n ARG 60 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 3f1f s GLY 61 N 3.25 2.43 0.56 5.14 0.00 -1.26 -4.97 107.32 112.47 3f1f s GLY 61 Ca 0.87 1.13 -0.21 0.00 0.00 0.00 0.00 44.72 46.51 3f1f s GLY 61 CO 0.44 2.10 1.26 0.54 0.00 0.00 0.00 173.10 177.44 3f1f s LYS 62 N -0.09 3.14 -0.44 2.90 1.02 -1.26 -4.61 119.74 120.40 3f1f s LYS 62 Ca 0.57 1.99 -0.12 0.00 0.02 0.00 0.00 55.97 58.43 3f1f s LYS 62 Cb -0.37 -2.13 0.08 0.00 -0.52 0.00 0.00 37.83 34.89 3f1f s LYS 62 CO 0.38 -1.12 0.32 0.15 -0.92 0.00 0.00 175.35 174.16 3f1f s LYS 63 N -3.06 2.75 0.22 1.68 -0.14 -1.26 -1.24 119.74 118.69 3f1f s LYS 63 Ca 0.73 -1.42 -0.00 0.00 -1.36 0.00 0.00 55.97 53.91 3f1f s LYS 63 Cb -0.34 -3.93 0.04 0.00 -1.68 0.00 0.00 37.83 31.93 3f1f s LYS 63 CO 0.39 -0.99 0.30 1.63 -0.76 0.00 0.00 175.35 175.93 3f1f n LYS 64 N 5.03 0.36 -3.58 1.68 5.02 -1.22 -4.89 118.16 120.56 3f1f n LYS 64 Ca -0.11 -0.80 -0.01 0.00 -2.02 0.00 0.00 58.31 55.37 3f1f n LYS 64 Cb 0.43 -0.21 -0.06 0.00 -0.02 0.00 0.00 35.03 35.17 3f1f n LYS 64 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 3f1f s ARG 65 N -3.23 0.36 -0.42 1.97 3.03 -1.26 -2.06 118.95 117.34 3f1f s ARG 65 Ca 0.20 0.69 -0.12 0.00 2.03 0.00 0.00 55.73 58.53 3f1f s ARG 65 Cb -0.01 0.19 0.05 0.00 -1.03 0.00 0.00 34.95 34.16 3f1f s ARG 65 CO 0.13 -0.09 0.28 -1.17 -1.13 0.00 0.00 175.30 173.32 3f1f s LEU 66 N 1.69 5.12 0.00 -1.89 0.20 -0.76 -4.97 118.68 118.07 3f1f s LEU 66 Ca -0.07 -1.23 0.00 0.00 0.69 0.00 0.00 54.13 53.52 3f1f s LEU 66 Cb -0.04 -2.06 0.00 0.00 -0.43 0.00 0.00 46.19 43.65 3f1f s LEU 66 CO -0.16 -0.51 0.00 0.61 -0.29 0.00 0.00 176.35 176.01 3f1f n GLY 67 N 5.04 1.60 0.00 7.98 0.00 -1.26 -2.35 105.19 116.19 3f1f n GLY 67 Ca -0.11 -0.61 0.06 0.00 0.00 0.00 0.00 46.02 45.36 3f1f n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3f1f n ARG 68 N 7.62 0.07 -3.25 1.61 -4.01 -1.26 -4.65 116.66 112.78 3f1f n ARG 68 Ca 0.00 0.23 -0.41 0.00 -1.04 0.00 0.00 57.85 56.63 3f1f n ARG 68 Cb 0.00 -1.50 -0.08 0.00 -3.04 0.00 0.00 32.46 27.84 3f1f n ARG 68 CO 0.00 0.00 0.00 0.71 -3.04 0.00 0.00 177.63 175.30 3f1f s TYR 69 N -2.85 3.17 -0.14 2.89 1.51 -0.99 -5.05 117.35 115.90 3f1f s TYR 69 Ca 0.09 0.10 -0.14 0.00 -1.01 0.00 0.00 57.07 56.12 3f1f s TYR 69 Cb 0.09 -2.92 -0.05 0.00 -0.11 0.00 0.00 41.96 38.97 3f1f s TYR 69 CO 0.23 -0.56 0.30 -1.17 -1.11 0.00 0.00 175.55 173.24 3f1f s LEU 70 N 2.36 4.29 0.00 -1.29 0.20 -1.26 -1.82 118.68 121.16 3f1f s LEU 70 Ca 0.18 0.57 0.00 0.00 0.69 0.00 0.00 54.13 55.57 3f1f s LEU 70 Cb -0.16 -2.39 0.00 0.00 -0.43 0.00 0.00 46.19 43.22 3f1f s LEU 70 CO 0.13 0.15 0.00 0.61 -0.29 0.00 0.00 176.35 176.95 3f1f n GLY 71 N 3.07 4.53 3.52 7.98 0.00 -0.87 -5.01 105.19 118.41 3f1f n GLY 71 Ca -0.13 -1.26 -0.09 0.00 0.00 0.00 0.00 46.02 44.54 3f1f n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3f1f s LYS 72 N 0.78 0.64 0.67 1.61 1.02 -1.26 -3.44 119.74 119.75 3f1f s LYS 72 Ca 0.00 1.04 -0.11 0.00 0.02 0.00 0.00 55.97 56.91 3f1f s LYS 72 Cb 0.00 0.15 -0.01 0.00 -0.52 0.00 0.00 37.83 37.45 3f1f s LYS 72 CO 0.00 -0.14 1.06 1.03 -0.92 0.00 0.00 175.35 176.39 3f1f s ARG 73 N 1.27 3.18 0.41 1.68 0.52 -0.37 -4.88 118.95 120.76 3f1f s ARG 73 Ca -0.08 0.63 -0.21 0.00 -0.52 0.00 0.00 55.73 55.56 3f1f s ARG 73 Cb -0.06 -2.04 -0.11 0.00 0.52 0.00 0.00 34.95 33.26 3f1f s ARG 73 CO -0.13 -0.84 0.93 -1.25 0.02 0.00 0.00 175.30 174.02 3f1f s PRO 74 N -5.25 4.24 0.67 3.54 0.04 -1.26 -4.54 135.00 132.43 3f1f s PRO 74 Ca 0.57 1.09 -0.11 0.00 0.04 0.00 0.00 61.00 62.59 3f1f s PRO 74 Cb -0.11 -2.26 -0.01 0.00 0.04 0.00 0.00 34.50 32.16 3f1f s PRO 74 CO 0.53 0.02 1.05 -0.51 0.04 0.00 0.00 177.00 178.13 3f1f s ASP 75 N -2.14 5.67 0.04 6.66 1.11 -1.26 -4.33 116.67 122.42 3f1f s ASP 75 Ca 0.60 1.53 -0.09 0.00 0.18 0.00 0.00 52.55 54.77 3f1f s ASP 75 Cb -0.10 -2.46 0.00 0.00 1.07 0.00 0.00 42.92 41.43 3f1f s ASP 75 CO 0.14 -1.25 0.19 -0.13 1.18 0.00 0.00 175.17 175.31 3f1f s ARG 76 N -5.10 0.70 -0.37 8.23 3.00 -1.07 -4.94 118.95 119.40 3f1f s ARG 76 Ca 0.57 -0.66 -0.08 0.00 0.00 0.00 0.00 55.73 55.56 3f1f s ARG 76 Cb -0.13 0.29 0.05 0.00 0.00 0.00 0.00 34.95 35.17 3f1f s ARG 76 CO 0.55 -0.20 0.17 0.21 0.00 0.00 0.00 175.30 176.02 3f1f s LYS 77 N -2.69 2.61 0.15 3.54 2.20 -1.22 0.54 119.74 124.87 3f1f s LYS 77 Ca -0.04 -1.29 -0.25 0.00 -0.36 0.00 0.00 55.97 54.04 3f1f s LYS 77 Cb -0.01 -3.60 -0.08 0.00 -1.51 0.00 0.00 37.83 32.64 3f1f s LYS 77 CO -0.05 -0.78 0.75 0.21 -0.36 0.00 0.00 175.35 175.13 3f1f s LYS 78 N 1.41 4.52 0.01 4.03 2.20 -0.19 -0.98 119.74 130.74 3f1f s LYS 78 Ca 0.01 1.11 0.01 0.00 -0.36 0.00 0.00 55.97 56.73 3f1f s LYS 78 Cb -0.21 -3.26 -0.01 0.00 -1.51 0.00 0.00 37.83 32.84 3f1f s LYS 78 CO 0.03 0.57 -0.03 0.00 -0.36 0.00 0.00 175.35 175.56 3f1f s ALA 79 N -1.11 0.25 -0.24 3.13 0.00 -0.85 -1.13 121.76 121.81 3f1f s ALA 79 Ca 0.35 -0.28 0.02 0.00 0.00 0.00 0.00 51.96 52.05 3f1f s ALA 79 Cb -0.23 -0.01 0.06 0.00 0.00 0.00 0.00 23.12 22.95 3f1f s ALA 79 CO 0.25 0.01 -0.08 0.96 0.00 0.00 0.00 175.76 176.90 3f1f s ILE 80 N -0.47 1.77 0.15 0.00 -4.36 0.15 -0.77 121.20 117.68 3f1f s ILE 80 Ca -0.03 -1.35 -0.18 0.00 -0.26 0.00 0.00 60.65 58.82 3f1f s ILE 80 Cb -0.04 -1.96 -0.07 0.00 1.25 0.00 0.00 42.46 41.64 3f1f s ILE 80 CO -0.00 -0.05 0.63 0.68 0.24 0.00 0.00 174.94 176.43 3f1f s VAL 81 N 1.29 4.69 -0.26 8.37 -7.23 0.48 -1.95 120.40 125.78 3f1f s VAL 81 Ca -0.07 1.15 -0.07 0.00 -1.81 0.00 0.00 61.98 61.19 3f1f s VAL 81 Cb -0.19 -3.85 -0.01 0.00 0.56 0.00 0.00 36.38 32.89 3f1f s VAL 81 CO -0.06 0.34 0.06 -1.58 -0.31 0.00 0.00 175.10 173.55 3f1f s GLN 82 N -1.68 3.40 0.11 4.82 2.00 0.75 -1.05 119.66 128.01 3f1f s GLN 82 Ca 0.37 -0.64 -0.12 0.00 -2.00 0.00 0.00 55.36 52.96 3f1f s GLN 82 Cb -0.17 -3.31 -0.06 0.00 0.80 0.00 0.00 33.01 30.26 3f1f s GLN 82 CO 0.20 -0.29 0.48 0.08 -0.50 0.00 0.00 175.29 175.26 3f1f s VAL 83 N 1.56 4.97 0.29 1.34 1.01 0.34 0.68 120.40 130.60 3f1f s VAL 83 Ca 0.05 0.65 -0.28 0.00 0.00 0.00 0.00 61.98 62.39 3f1f s VAL 83 Cb -0.16 -3.69 -0.14 0.00 0.00 0.00 0.00 36.38 32.39 3f1f s VAL 83 CO 0.02 0.27 1.05 0.00 0.00 0.00 0.00 175.10 176.44 3f1f n ALA 84 N 0.86 -0.07 -1.50 5.51 0.00 0.25 -4.74 120.51 120.81 3f1f n ALA 84 Ca -0.07 0.39 -0.52 0.00 0.00 0.00 0.00 53.44 53.24 3f1f n ALA 84 Cb 0.52 -2.05 -0.05 0.00 0.00 0.00 0.00 19.45 17.87 3f1f n ALA 84 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3f1f n PRO 85 N 0.76 0.41 0.00 0.00 -0.04 -1.26 -2.62 135.00 132.25 3f1f n PRO 85 Ca 0.09 0.15 0.00 0.00 -0.04 0.00 0.00 63.50 63.70 3f1f n PRO 85 Cb 0.32 -1.51 0.00 0.00 -0.04 0.00 0.00 33.50 32.27 3f1f n PRO 85 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3f1f n GLY 86 N 1.83 1.96 3.12 0.55 0.00 -1.26 -5.05 105.19 106.34 3f1f n GLY 86 Ca 0.18 -0.61 -0.28 0.00 0.00 0.00 0.00 46.02 45.30 3f1f n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f1f n GLN 87 N 0.00 -1.43 -3.50 1.61 10.64 -1.08 -5.05 117.38 118.57 3f1f n GLN 87 Ca 0.00 -0.41 -0.10 0.00 -1.83 0.00 0.00 57.00 54.66 3f1f n GLN 87 Cb 0.00 -1.46 -0.03 0.00 -0.86 0.00 0.00 30.24 27.89 3f1f n GLN 87 CO 0.00 0.00 0.00 -1.59 -1.83 0.00 0.00 177.06 173.64 3f1f s LYS 88 N -3.10 0.90 -0.55 2.61 -2.85 -1.26 -4.88 119.74 110.61 3f1f s LYS 88 Ca 0.44 -0.22 -0.16 0.00 -1.00 0.00 0.00 55.97 55.02 3f1f s LYS 88 Cb -0.05 0.41 0.13 0.00 -2.06 0.00 0.00 37.83 36.27 3f1f s LYS 88 CO 0.54 -0.37 0.53 0.42 0.10 0.00 0.00 175.35 176.57 3f1f s ILE 89 N -2.79 5.17 0.33 3.79 -1.09 -1.26 -4.93 121.20 120.42 3f1f s ILE 89 Ca 0.02 -1.46 0.03 0.00 -2.23 0.00 0.00 60.65 57.00 3f1f s ILE 89 Cb -0.01 -4.36 0.29 0.00 -1.58 0.00 0.00 42.46 36.80 3f1f s ILE 89 CO -0.07 -0.91 1.94 -0.33 -1.23 0.00 0.00 174.94 174.34 3f1f h GLU 90 N 8.90 0.87 -0.82 2.79 4.39 -1.98 -2.29 114.58 126.43 3f1f h GLU 90 Ca -0.29 -0.05 0.15 0.00 0.34 0.00 0.00 59.36 59.51 3f1f h GLU 90 Cb 1.10 -0.20 -0.10 0.00 -0.10 0.00 0.00 28.75 29.45 3f1f h GLU 90 CO 1.04 0.58 0.39 0.00 -1.16 0.00 0.00 179.01 179.86 3f1f h ALA 91 N 1.56 1.22 0.00 3.43 0.00 -2.01 0.12 119.26 123.58 3f1f h ALA 91 Ca 0.35 0.10 -0.13 0.00 0.00 0.00 0.00 54.91 55.23 3f1f h ALA 91 Cb 0.22 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3f1f h ALA 91 CO -0.12 -0.14 -0.63 -0.07 0.00 0.00 0.00 179.25 178.29 3f1f h LEU 92 N 0.55 0.00 -1.76 0.00 3.38 -1.86 -3.34 115.31 112.28 3f1f h LEU 92 Ca 0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.42 3f1f h LEU 92 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 3f1f h LEU 92 CO -0.38 0.63 0.00 -0.33 0.09 0.00 0.00 178.44 178.44 3f1f h GLU 93 N 0.00 0.00 0.00 1.13 4.39 -0.23 -3.52 114.58 116.35 3f1f h GLU 93 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 3f1f h GLU 93 Cb 1.48 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.13 3f1f h GLU 93 CO 0.08 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.34