#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ftc s PHE 2 N 0.00 2.92 -0.03 0.00 0.40 -1.26 -1.19 117.98 118.82 1ftc s PHE 2 Ca 0.00 -0.16 -0.01 0.00 -0.60 0.00 0.00 56.93 56.16 1ftc s PHE 2 Cb 0.00 -2.46 0.02 0.00 0.51 0.00 0.00 43.02 41.09 1ftc s PHE 2 CO 0.00 -0.53 0.06 0.08 0.70 0.00 0.00 175.22 175.53 1ftc s VAL 3 N -2.50 -0.04 -0.21 -0.44 1.01 0.62 -4.75 120.40 114.09 1ftc s VAL 3 Ca 0.54 0.15 -0.20 0.00 0.00 0.00 0.00 61.98 62.47 1ftc s VAL 3 Cb -0.10 -0.11 -0.03 0.00 0.00 0.00 0.00 36.38 36.14 1ftc s VAL 3 CO 0.35 0.06 0.60 -0.69 0.00 0.00 0.00 175.10 175.42 1ftc s VAL 4 N 0.79 5.04 0.00 2.92 1.01 -1.26 -1.43 120.40 127.47 1ftc s VAL 4 Ca -0.06 1.11 0.00 0.00 0.00 0.00 0.00 61.98 63.03 1ftc s VAL 4 Cb -0.09 -3.91 0.00 0.00 0.00 0.00 0.00 36.38 32.38 1ftc s VAL 4 CO -0.03 0.11 0.00 0.35 0.00 0.00 0.00 175.10 175.54 1ftc n THR 5 N 4.74 0.00 -0.35 3.92 -2.24 0.91 -4.88 114.28 116.38 1ftc n THR 5 Ca -0.02 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.89 1ftc n THR 5 Cb 0.50 -0.47 0.32 0.00 -2.10 0.00 0.00 70.33 68.58 1ftc n THR 5 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1ftc h ASP 6 N 0.00 0.79 0.77 3.42 3.58 -1.94 -3.07 116.42 119.97 1ftc h ASP 6 Ca 0.00 0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.55 1ftc h ASP 6 Cb 0.00 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.01 1ftc h ASP 6 CO 0.00 0.28 0.00 -3.20 -2.88 0.00 0.00 179.24 173.44 1ftc n ASN 7 N -4.77 0.17 0.06 2.28 5.15 -1.26 -1.58 115.26 115.31 1ftc n ASN 7 Ca 0.23 0.53 -0.01 0.00 -0.60 0.00 0.00 54.58 54.73 1ftc n ASN 7 Cb 0.57 -0.57 0.27 0.00 -0.53 0.00 0.00 39.78 39.52 1ftc n ASN 7 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ftc s ILE 9 N -4.54 2.31 0.00 0.00 1.01 -0.61 -0.79 121.20 118.58 1ftc s ILE 9 Ca -0.06 0.23 0.00 0.00 0.00 0.00 0.00 60.65 60.82 1ftc s ILE 9 Cb 0.14 -3.15 0.00 0.00 0.01 0.00 0.00 42.46 39.47 1ftc s ILE 9 CO 0.77 0.02 0.00 0.29 0.00 0.00 0.00 174.94 176.02 1ftc n LYS 10 N 3.86 -0.87 -0.02 2.79 5.02 -0.20 -4.74 118.16 124.01 1ftc n LYS 10 Ca 0.14 0.22 -0.03 0.00 -2.02 0.00 0.00 58.31 56.62 1ftc n LYS 10 Cb 0.37 -4.10 -0.01 0.00 -0.02 0.00 0.00 35.03 31.27 1ftc n LYS 10 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ftc n LYS 12 N -3.30 -0.79 0.00 0.00 4.81 0.03 -1.72 118.16 117.19 1ftc n LYS 12 Ca -0.04 0.57 0.00 0.00 -0.87 0.00 0.00 58.31 57.97 1ftc n LYS 12 Cb 0.15 -1.05 0.00 0.00 0.02 0.00 0.00 35.03 34.15 1ftc n LYS 12 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1ftc n THR 14 N 0.61 0.00 -0.02 3.15 -2.24 -1.26 -3.69 114.28 110.83 1ftc n THR 14 Ca 0.00 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.75 1ftc n THR 14 Cb 0.00 0.00 0.22 0.00 -2.10 0.00 0.00 70.33 68.45 1ftc n THR 14 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1ftc h ASP 15 N 0.00 0.55 -0.93 3.42 5.19 -1.89 -2.67 116.42 120.09 1ftc h ASP 15 Ca 0.00 -0.15 0.22 0.00 -0.62 0.00 0.00 57.03 56.48 1ftc h ASP 15 Cb 0.00 -0.15 -0.07 0.00 0.18 0.00 0.00 39.33 39.29 1ftc h ASP 15 CO 0.00 0.71 0.61 0.00 -3.12 0.00 0.00 179.24 177.44 1ftc h VAL 17 N 0.38 1.21 -1.02 0.00 -1.51 -1.85 -3.19 116.25 110.27 1ftc h VAL 17 Ca 0.49 -1.34 0.26 0.00 -1.23 0.00 0.00 66.70 64.88 1ftc h VAL 17 Cb 1.26 1.74 -0.08 0.00 -2.13 0.00 0.00 31.29 32.08 1ftc h VAL 17 CO -0.18 0.38 0.68 -0.33 -1.23 0.00 0.00 177.57 176.88 1ftc h GLU 18 N 0.00 0.30 -0.00 5.19 3.07 -1.61 -2.89 114.58 118.63 1ftc h GLU 18 Ca -0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 1ftc h GLU 18 Cb 0.71 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.55 1ftc h GLU 18 CO 0.05 0.20 -0.82 1.55 -1.40 0.00 0.00 179.01 178.59 1ftc n VAL 19 N -4.51 0.00 -2.27 3.13 3.14 -1.20 -4.94 118.33 111.67 1ftc n VAL 19 Ca 0.23 -0.09 -0.42 0.00 -2.96 0.00 0.00 64.34 61.10 1ftc n VAL 19 Cb 0.89 1.05 -0.03 0.00 -1.06 0.00 0.00 33.84 34.70 1ftc n VAL 19 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1ftc h PRO 21 N 7.95 0.00 -0.17 0.00 0.13 -1.92 -3.30 132.00 134.69 1ftc h PRO 21 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1ftc h PRO 21 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1ftc h PRO 21 CO 0.91 0.49 0.00 1.33 -0.23 0.00 0.00 178.00 180.50 1ftc n VAL 22 N -3.54 0.26 -3.75 1.56 0.24 -1.26 -5.00 118.33 106.84 1ftc n VAL 22 Ca -0.00 -0.63 -0.24 0.00 -2.04 0.00 0.00 64.34 61.42 1ftc n VAL 22 Cb 0.59 1.15 0.04 0.00 -1.47 0.00 0.00 33.84 34.15 1ftc n VAL 22 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1ftc n ASP 23 N 1.08 -2.84 -2.01 -1.34 8.00 -1.25 -4.93 116.55 113.26 1ftc n ASP 23 Ca 0.13 -0.77 -0.15 0.00 0.71 0.00 0.00 54.79 54.71 1ftc n ASP 23 Cb 0.49 -4.13 0.20 0.00 -0.02 0.00 0.00 41.12 37.66 1ftc n ASP 23 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ftc s PHE 25 N -2.84 3.53 -0.02 0.00 0.40 -1.26 -0.90 117.98 116.89 1ftc s PHE 25 Ca 0.50 0.67 0.07 0.00 -0.60 0.00 0.00 56.93 57.57 1ftc s PHE 25 Cb 0.41 -2.29 -0.02 0.00 0.51 0.00 0.00 43.02 41.63 1ftc s PHE 25 CO 0.11 0.37 -0.22 0.71 0.70 0.00 0.00 175.22 176.89 1ftc s TYR 26 N 0.02 2.46 -0.22 0.36 1.51 0.21 -1.50 117.35 120.20 1ftc s TYR 26 Ca 0.18 -0.33 -0.11 0.00 -1.01 0.00 0.00 57.07 55.79 1ftc s TYR 26 Cb -0.14 -1.53 -0.05 0.00 -0.11 0.00 0.00 41.96 40.14 1ftc s TYR 26 CO 0.06 0.07 0.20 -2.00 -1.11 0.00 0.00 175.55 172.77 1ftc s GLU 27 N -0.78 4.13 0.46 -0.62 2.12 0.99 -1.10 118.70 123.91 1ftc s GLU 27 Ca 0.11 -0.16 0.07 0.00 0.36 0.00 0.00 54.97 55.35 1ftc s GLU 27 Cb -0.10 -3.50 -0.01 0.00 0.26 0.00 0.00 34.13 30.78 1ftc s GLU 27 CO 0.00 0.12 0.34 0.20 -0.54 0.00 0.00 175.26 175.38 1ftc s GLY 28 N 0.83 2.28 0.39 -1.50 0.00 0.34 -4.01 107.32 105.66 1ftc s GLY 28 Ca 0.10 -1.71 0.16 0.00 0.00 0.00 0.00 44.72 43.27 1ftc s GLY 28 CO 0.03 -1.84 1.81 -2.55 0.00 0.00 0.00 173.10 170.55 1ftc h PRO 29 N 1.02 0.46 0.00 2.90 0.11 -1.89 -3.32 132.00 131.28 1ftc h PRO 29 Ca -0.40 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.58 1ftc h PRO 29 Cb 1.28 -0.10 -0.17 0.00 0.11 0.00 0.00 31.00 32.12 1ftc h PRO 29 CO 0.60 0.30 -0.51 0.27 -0.21 0.00 0.00 178.00 178.46 1ftc n ASN 30 N -4.60 -0.02 -3.48 -2.05 0.23 -1.26 -5.05 115.26 99.04 1ftc n ASN 30 Ca 0.22 -1.82 -0.11 0.00 -0.53 0.00 0.00 54.58 52.34 1ftc n ASN 30 Cb 0.75 -0.03 -0.02 0.00 -2.08 0.00 0.00 39.78 38.39 1ftc n ASN 30 CO 0.00 0.00 0.00 0.12 -0.93 0.00 0.00 177.26 176.45 1ftc s PHE 31 N 0.00 -0.47 0.11 -2.53 5.36 -1.25 -1.03 117.98 118.18 1ftc s PHE 31 Ca 0.11 0.23 0.10 0.00 -0.96 0.00 0.00 56.93 56.40 1ftc s PHE 31 Cb 0.12 0.53 -0.04 0.00 -0.34 0.00 0.00 43.02 43.29 1ftc s PHE 31 CO -0.05 -0.86 -0.25 -0.51 -1.46 0.00 0.00 175.22 172.10 1ftc s LEU 32 N -2.77 2.30 0.14 6.12 1.02 -1.26 -0.50 118.68 123.73 1ftc s LEU 32 Ca 0.02 -0.71 0.05 0.00 0.02 0.00 0.00 54.13 53.51 1ftc s LEU 32 Cb -0.01 -1.09 -0.04 0.00 0.02 0.00 0.00 46.19 45.07 1ftc s LEU 32 CO -0.11 0.14 -0.12 0.68 0.02 0.00 0.00 176.35 176.95 1ftc s VAL 33 N -1.07 1.27 -0.19 -1.59 -7.23 -0.26 -4.74 120.40 106.59 1ftc s VAL 33 Ca 0.11 -1.93 -0.08 0.00 -1.81 0.00 0.00 61.98 58.28 1ftc s VAL 33 Cb -0.10 -1.72 -0.04 0.00 0.56 0.00 0.00 36.38 35.08 1ftc s VAL 33 CO 0.05 -0.60 0.07 -0.63 -0.31 0.00 0.00 175.10 173.67 1ftc s ILE 34 N -2.80 4.81 -0.38 -0.62 1.01 -1.26 -0.62 121.20 121.34 1ftc s ILE 34 Ca 0.14 -0.02 -0.29 0.00 0.00 0.00 0.00 60.65 60.48 1ftc s ILE 34 Cb -0.01 -3.17 0.01 0.00 0.01 0.00 0.00 42.46 39.29 1ftc s ILE 34 CO 0.02 0.46 1.43 -2.28 0.00 0.00 0.00 174.94 174.56 1ftc s HIS 35 N 0.40 2.39 0.54 3.97 5.65 -0.08 -4.49 115.29 123.69 1ftc s HIS 35 Ca 0.03 0.69 0.21 0.00 0.25 0.00 0.00 55.06 56.24 1ftc s HIS 35 Cb -0.12 -4.23 1.45 0.00 -1.18 0.00 0.00 32.58 28.49 1ftc s HIS 35 CO 0.00 -2.04 2.18 -1.00 -0.65 0.00 0.00 174.74 173.23 1ftc h PRO 36 N 10.63 0.00 0.00 2.88 0.13 -1.90 -1.45 132.00 142.30 1ftc h PRO 36 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1ftc h PRO 36 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1ftc h PRO 36 CO 1.07 0.00 -0.35 -0.25 -0.23 0.00 0.00 178.00 178.24 1ftc n ASP 37 N -4.31 0.66 -0.09 1.44 8.00 -1.26 -3.89 116.55 117.11 1ftc n ASP 37 Ca -0.03 0.27 -0.13 0.00 0.71 0.00 0.00 54.79 55.61 1ftc n ASP 37 Cb 0.10 -0.21 -0.14 0.00 -0.02 0.00 0.00 41.12 40.85 1ftc n ASP 37 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1ftc n GLU 38 N -2.05 0.68 -1.70 -1.24 1.02 -0.61 -4.97 120.64 111.76 1ftc n GLU 38 Ca 0.05 0.11 -0.43 0.00 -0.02 0.00 0.00 57.16 56.86 1ftc n GLU 38 Cb 0.42 -1.58 -0.03 0.00 -0.02 0.00 0.00 31.44 30.23 1ftc n GLU 38 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ftc n ILE 40 N 4.05 2.01 -2.88 0.00 -5.35 -1.26 -4.74 119.36 111.18 1ftc n ILE 40 Ca 0.17 -1.08 -0.19 0.00 -0.27 0.00 0.00 62.75 61.37 1ftc n ILE 40 Cb 0.34 -0.20 0.00 0.00 -1.74 0.00 0.00 39.64 38.05 1ftc n ILE 40 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1ftc n ASP 41 N 0.64 -4.61 0.10 7.28 8.00 -1.26 -4.87 116.55 121.83 1ftc n ASP 41 Ca 0.22 -0.14 0.11 0.00 0.71 0.00 0.00 54.79 55.70 1ftc n ASP 41 Cb 0.94 -3.82 0.45 0.00 -0.02 0.00 0.00 41.12 38.67 1ftc n ASP 41 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ftc n ALA 43 N -1.72 -0.21 0.09 0.00 0.00 -1.26 -4.87 120.51 112.54 1ftc n ALA 43 Ca 0.03 0.22 -0.14 0.00 0.00 0.00 0.00 53.44 53.55 1ftc n ALA 43 Cb 0.23 -1.67 -0.11 0.00 0.00 0.00 0.00 19.45 17.89 1ftc n ALA 43 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1ftc h LEU 44 N 0.00 0.35 -0.75 0.00 4.07 -1.92 -3.33 115.31 113.73 1ftc h LEU 44 Ca -0.28 -0.35 -0.08 0.00 0.08 0.00 0.00 57.88 57.24 1ftc h LEU 44 Cb 1.06 -0.11 -0.02 0.00 1.08 0.00 0.00 40.66 42.67 1ftc h LEU 44 CO 0.41 1.25 0.05 0.00 -1.08 0.00 0.00 178.44 179.07 1ftc h GLU 46 N 0.92 0.50 0.00 0.00 4.11 -1.91 0.14 114.58 118.34 1ftc h GLU 46 Ca 0.18 -0.05 -0.03 0.00 0.07 0.00 0.00 59.36 59.52 1ftc h GLU 46 Cb 0.47 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 1ftc h GLU 46 CO 0.02 0.39 -0.15 -1.35 0.07 0.00 0.00 179.01 178.00 1ftc h PRO 47 N 0.50 0.00 0.00 1.06 0.11 -1.79 -3.16 132.00 128.73 1ftc h PRO 47 Ca 0.13 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.13 1ftc h PRO 47 Cb 0.06 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.16 1ftc h PRO 47 CO -0.02 0.15 -0.49 0.93 -0.21 0.00 0.00 178.00 178.36 1ftc h GLU 48 N 0.00 0.00 -6.27 1.05 4.39 -0.89 -3.44 114.58 109.42 1ftc h GLU 48 Ca -0.00 0.00 -0.55 0.00 0.34 0.00 0.00 59.36 59.15 1ftc h GLU 48 Cb 0.47 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.11 1ftc h GLU 48 CO 0.02 0.49 1.16 0.00 -1.16 0.00 0.00 179.01 179.52 1ftc h PRO 50 N 10.35 0.67 -0.00 0.00 0.11 -1.91 -2.45 132.00 138.77 1ftc h PRO 50 Ca -0.41 -0.11 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1ftc h PRO 50 Cb 1.19 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1ftc h PRO 50 CO 0.96 0.60 -0.00 0.00 -0.21 0.00 0.00 178.00 179.34 1ftc n ALA 51 N -2.47 2.68 -4.16 -0.75 0.00 -1.26 -4.91 120.51 109.65 1ftc n ALA 51 Ca 0.03 -0.20 -0.32 0.00 0.00 0.00 0.00 53.44 52.96 1ftc n ALA 51 Cb 0.19 -1.51 -0.04 0.00 0.00 0.00 0.00 19.45 18.08 1ftc n ALA 51 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1ftc n GLN 52 N -1.00 -2.67 0.00 0.00 1.13 -0.92 -4.83 117.38 109.09 1ftc n GLN 52 Ca 0.23 0.32 0.12 0.00 -1.94 0.00 0.00 57.00 55.73 1ftc n GLN 52 Cb 0.12 -4.59 0.20 0.00 0.11 0.00 0.00 30.24 26.08 1ftc n GLN 52 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ftc n ALA 53 N -4.40 3.54 -2.67 -1.58 0.00 -1.26 -4.91 120.51 109.22 1ftc n ALA 53 Ca -0.14 -0.46 -0.37 0.00 0.00 0.00 0.00 53.44 52.47 1ftc n ALA 53 Cb 0.60 -1.02 -0.06 0.00 0.00 0.00 0.00 19.45 18.97 1ftc n ALA 53 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1ftc s ILE 54 N -2.71 5.23 0.08 0.00 1.01 -1.26 -0.06 121.20 123.48 1ftc s ILE 54 Ca 0.17 0.49 -0.07 0.00 0.00 0.00 0.00 60.65 61.24 1ftc s ILE 54 Cb 0.18 -3.59 -0.01 0.00 0.01 0.00 0.00 42.46 39.05 1ftc s ILE 54 CO 0.63 0.52 0.14 -0.36 0.00 0.00 0.00 174.94 175.87 1ftc s PHE 55 N -1.14 0.24 0.50 3.97 0.08 -0.51 -4.90 117.98 116.20 1ftc s PHE 55 Ca 0.23 -0.69 -0.21 0.00 0.12 0.00 0.00 56.93 56.37 1ftc s PHE 55 Cb -0.14 -0.14 -0.07 0.00 -0.57 0.00 0.00 43.02 42.10 1ftc s PHE 55 CO 0.12 -0.50 1.15 0.45 -0.10 0.00 0.00 175.22 176.34 1ftc s SER 56 N -2.87 5.97 0.20 1.36 0.15 -1.26 -0.27 113.70 116.97 1ftc s SER 56 Ca 0.05 2.26 -0.12 0.00 0.70 0.00 0.00 55.95 58.84 1ftc s SER 56 Cb 0.06 -2.59 0.23 0.00 -1.71 0.00 0.00 66.02 62.00 1ftc s SER 56 CO -0.11 -1.06 1.68 -0.08 1.20 0.00 0.00 173.24 174.88 1ftc h GLU 57 N 1.68 0.14 0.00 5.44 4.81 -1.45 0.92 114.58 126.12 1ftc h GLU 57 Ca -0.50 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1ftc h GLU 57 Cb 1.25 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.60 1ftc h GLU 57 CO 0.59 0.09 0.00 -0.25 -0.73 0.00 0.00 179.01 178.71 1ftc n ASP 58 N -5.22 0.36 -0.75 1.04 8.00 -1.26 -2.13 116.55 116.60 1ftc n ASP 58 Ca 0.07 0.59 0.09 0.00 0.71 0.00 0.00 54.79 56.25 1ftc n ASP 58 Cb 0.30 -0.67 0.08 0.00 -0.02 0.00 0.00 41.12 40.81 1ftc n ASP 58 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1ftc n GLU 59 N -1.90 1.60 -1.69 -1.24 1.02 0.25 -4.98 120.64 113.69 1ftc n GLU 59 Ca 0.03 -1.63 -0.44 0.00 -0.02 0.00 0.00 57.16 55.10 1ftc n GLU 59 Cb 0.19 -1.36 -0.04 0.00 -0.02 0.00 0.00 31.44 30.22 1ftc n GLU 59 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1ftc n VAL 60 N 1.04 0.13 -1.55 2.62 0.31 -0.77 -4.84 118.33 115.28 1ftc n VAL 60 Ca 0.11 -0.02 -0.42 0.00 -0.01 0.00 0.00 64.34 64.00 1ftc n VAL 60 Cb 0.46 -1.85 0.01 0.00 -0.91 0.00 0.00 33.84 31.55 1ftc n VAL 60 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1ftc n PRO 61 N 4.38 1.01 -0.27 5.55 -0.02 -1.26 -4.81 135.00 139.59 1ftc n PRO 61 Ca 0.17 0.36 0.02 0.00 -2.02 0.00 0.00 63.50 62.03 1ftc n PRO 61 Cb 0.33 -1.80 0.14 0.00 -0.02 0.00 0.00 33.50 32.15 1ftc n PRO 61 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1ftc h GLU 62 N 1.26 0.71 0.00 -0.52 4.39 -2.01 0.79 114.58 119.21 1ftc h GLU 62 Ca -0.42 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.24 1ftc h GLU 62 Cb 1.36 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 1ftc h GLU 62 CO 0.55 0.47 0.00 -0.40 -1.16 0.00 0.00 179.01 178.47 1ftc n ASP 63 N -4.77 0.00 -0.41 1.42 5.75 -1.26 -2.75 116.55 114.53 1ftc n ASP 63 Ca 0.12 -0.75 0.05 0.00 -0.01 0.00 0.00 54.79 54.20 1ftc n ASP 63 Cb 0.25 0.00 0.08 0.00 -1.03 0.00 0.00 41.12 40.42 1ftc n ASP 63 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 1ftc n MET 64 N -0.90 0.68 0.04 0.11 2.81 0.26 -4.84 117.12 115.26 1ftc n MET 64 Ca 0.12 -1.95 0.11 0.00 -1.81 0.00 0.00 57.70 54.17 1ftc n MET 64 Cb 0.06 -0.98 0.56 0.00 -0.71 0.00 0.00 33.22 32.15 1ftc n MET 64 CO 0.00 0.00 0.00 1.96 1.51 0.00 0.00 175.97 179.44 1ftc h GLN 65 N 0.17 0.24 -0.82 0.03 1.08 -1.32 -2.23 115.11 112.27 1ftc h GLN 65 Ca -0.02 -0.01 0.23 0.00 -1.45 0.00 0.00 58.65 57.40 1ftc h GLN 65 Cb 1.24 -0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 28.58 1ftc h GLN 65 CO 0.01 0.16 0.59 0.93 -0.95 0.00 0.00 178.83 179.57 1ftc h GLU 66 N 0.25 0.02 0.00 1.46 3.07 -1.88 -1.88 114.58 115.62 1ftc h GLU 66 Ca 0.18 -0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 59.01 1ftc h GLU 66 Cb 0.38 -0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.28 1ftc h GLU 66 CO -0.03 0.02 -0.14 0.74 -1.40 0.00 0.00 179.01 178.19 1ftc h PHE 67 N 0.02 0.00 0.15 4.33 0.04 -1.75 -2.14 116.94 117.59 1ftc h PHE 67 Ca 0.39 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.16 1ftc h PHE 67 Cb 1.54 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.69 1ftc h PHE 67 CO -0.00 0.14 -0.07 0.82 -0.60 0.00 0.00 178.31 178.60 1ftc h ILE 68 N 0.00 0.98 -0.09 -0.55 2.04 -1.54 0.12 117.51 118.47 1ftc h ILE 68 Ca -0.00 -0.59 -0.14 0.00 1.00 0.00 0.00 64.86 65.13 1ftc h ILE 68 Cb 0.45 1.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 1ftc h ILE 68 CO 0.02 0.14 -0.54 -0.61 0.00 0.00 0.00 178.15 177.15 1ftc h GLN 69 N -0.48 0.26 -0.88 2.37 4.15 -1.69 -2.74 115.11 116.10 1ftc h GLN 69 Ca -0.02 -0.16 -0.01 0.00 0.77 0.00 0.00 58.65 59.23 1ftc h GLN 69 Cb 0.38 0.02 -0.04 0.00 0.21 0.00 0.00 27.48 28.04 1ftc h GLN 69 CO 0.03 0.74 0.50 -0.07 -1.93 0.00 0.00 178.83 178.10 1ftc h LEU 70 N 0.20 1.08 -0.29 -2.39 3.38 -1.12 -1.46 115.31 114.71 1ftc h LEU 70 Ca 0.00 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 1ftc h LEU 70 Cb 1.02 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 1ftc h LEU 70 CO 0.09 0.85 0.04 0.78 0.09 0.00 0.00 178.44 180.29 1ftc h ASN 71 N 1.23 0.47 0.01 -0.43 2.35 -0.78 -1.46 115.58 116.97 1ftc h ASN 71 Ca 0.31 -0.27 0.03 0.00 -0.55 0.00 0.00 56.30 55.83 1ftc h ASN 71 Cb -0.00 -0.13 -0.04 0.00 0.05 0.00 0.00 38.32 38.20 1ftc h ASN 71 CO -0.05 0.62 -0.26 0.00 -1.65 0.00 0.00 177.43 176.09 1ftc h ALA 72 N 0.87 -0.35 0.29 -0.83 0.00 -1.26 -2.00 119.26 115.98 1ftc h ALA 72 Ca 0.09 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1ftc h ALA 72 Cb 0.35 0.45 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1ftc h ALA 72 CO 0.01 -0.76 -0.14 0.93 0.00 0.00 0.00 179.25 179.29 1ftc h GLU 73 N -0.40 -0.38 0.00 0.00 4.39 -1.26 -3.19 114.58 113.75 1ftc h GLU 73 Ca 0.06 0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.76 1ftc h GLU 73 Cb 0.48 0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 29.21 1ftc h GLU 73 CO -0.22 -0.13 -0.11 -0.07 -1.16 0.00 0.00 179.01 177.32 1ftc h LEU 74 N -0.57 0.00 -2.25 1.33 3.38 -1.31 -2.16 115.31 113.72 1ftc h LEU 74 Ca -0.04 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1ftc h LEU 74 Cb 0.42 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 1ftc h LEU 74 CO 0.07 0.11 -0.05 0.00 0.09 0.00 0.00 178.44 178.65 1ftc h ALA 75 N 1.89 1.25 0.00 1.53 0.00 -1.34 -0.73 119.26 121.86 1ftc h ALA 75 Ca -0.00 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 1ftc h ALA 75 Cb 0.63 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1ftc h ALA 75 CO 0.01 0.06 -0.58 0.93 0.00 0.00 0.00 179.25 179.68 1ftc h GLU 76 N 0.00 0.00 0.00 0.00 4.39 -1.44 -3.39 114.58 114.15 1ftc h GLU 76 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1ftc h GLU 76 Cb 0.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 1ftc h GLU 76 CO 0.01 0.58 -1.17 1.33 -1.16 0.00 0.00 179.01 178.59 1ftc n VAL 77 N -3.25 0.00 -3.51 3.13 0.24 -0.53 -5.01 118.33 109.39 1ftc n VAL 77 Ca 0.02 -0.25 -0.26 0.00 -2.04 0.00 0.00 64.34 61.81 1ftc n VAL 77 Cb 0.77 0.57 -0.02 0.00 -1.47 0.00 0.00 33.84 33.68 1ftc n VAL 77 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 1ftc s TRP 78 N -2.67 3.49 0.50 6.34 0.51 -0.39 -5.08 118.94 121.64 1ftc s TRP 78 Ca -0.00 0.37 -0.20 0.00 -2.12 0.00 0.00 56.10 54.15 1ftc s TRP 78 Cb 0.10 -1.89 -0.08 0.00 -0.81 0.00 0.00 33.47 30.79 1ftc s TRP 78 CO 0.58 0.23 1.05 -1.25 -0.51 0.00 0.00 176.95 177.06 1ftc s PRO 79 N -3.85 3.71 0.15 4.98 0.04 -1.26 -4.69 135.00 134.08 1ftc s PRO 79 Ca 0.40 1.37 -0.30 0.00 0.04 0.00 0.00 61.00 62.50 1ftc s PRO 79 Cb -0.10 -2.08 -0.07 0.00 0.04 0.00 0.00 34.50 32.29 1ftc s PRO 79 CO 0.32 -0.51 1.14 1.21 0.04 0.00 0.00 177.00 179.20 1ftc s ASN 80 N -2.05 7.19 -0.11 6.66 3.04 -1.26 -0.01 114.94 128.40 1ftc s ASN 80 Ca 0.67 2.10 0.02 0.00 0.04 0.00 0.00 52.86 55.69 1ftc s ASN 80 Cb -0.17 -2.60 -0.01 0.00 -1.54 0.00 0.00 41.25 36.93 1ftc s ASN 80 CO 0.22 -0.31 -0.17 -0.51 -3.04 0.00 0.00 177.10 173.30 1ftc s ILE 81 N 0.09 2.73 0.00 -5.21 2.07 -0.56 -4.82 121.20 115.49 1ftc s ILE 81 Ca 0.52 -0.79 0.00 0.00 -1.41 0.00 0.00 60.65 58.98 1ftc s ILE 81 Cb -0.30 -2.11 0.00 0.00 0.13 0.00 0.00 42.46 40.18 1ftc s ILE 81 CO 0.34 0.54 0.00 0.35 -1.91 0.00 0.00 174.94 174.26 1ftc n THR 82 N 3.41 0.00 -4.59 4.00 -2.24 -1.26 -4.48 114.28 109.12 1ftc n THR 82 Ca -0.18 -0.09 -0.29 0.00 -2.27 0.00 0.00 64.05 61.22 1ftc n THR 82 Cb 0.53 0.58 -0.14 0.00 -2.10 0.00 0.00 70.33 69.20 1ftc n THR 82 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1ftc s GLU 83 N -1.77 1.53 0.34 -0.78 2.02 -1.26 -4.72 118.70 114.05 1ftc s GLU 83 Ca 0.00 -1.24 -0.29 0.00 0.02 0.00 0.00 54.97 53.47 1ftc s GLU 83 Cb 0.00 -1.89 -0.11 0.00 0.10 0.00 0.00 34.13 32.24 1ftc s GLU 83 CO 0.00 0.46 1.45 0.21 0.02 0.00 0.00 175.26 177.40 1ftc s LYS 84 N -1.72 4.20 0.15 1.61 2.20 -1.26 -5.00 119.74 119.92 1ftc s LYS 84 Ca 0.13 2.44 0.01 0.00 -0.36 0.00 0.00 55.97 58.19 1ftc s LYS 84 Cb -0.10 -3.02 -0.00 0.00 -1.51 0.00 0.00 37.83 33.20 1ftc s LYS 84 CO 0.04 -0.44 0.05 0.36 -0.36 0.00 0.00 175.35 175.00 1ftc n LYS 85 N 0.99 0.91 -2.14 4.03 2.85 -1.26 -5.09 118.16 118.45 1ftc n LYS 85 Ca 0.02 -1.27 -0.37 0.00 -1.05 0.00 0.00 58.31 55.64 1ftc n LYS 85 Cb 0.40 0.64 0.00 0.00 -0.65 0.00 0.00 35.03 35.42 1ftc n LYS 85 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1ftc s ASP 86 N -1.93 5.92 0.92 -5.58 1.01 -1.26 -4.73 116.67 111.01 1ftc s ASP 86 Ca 0.07 2.41 -0.11 0.00 0.71 0.00 0.00 52.55 55.63 1ftc s ASP 86 Cb 0.00 -2.61 0.14 0.00 1.01 0.00 0.00 42.92 41.47 1ftc s ASP 86 CO 0.05 -1.10 1.11 -2.84 0.21 0.00 0.00 175.17 172.59 1ftc s PRO 87 N -2.78 1.03 0.59 8.23 0.02 -1.26 -4.91 135.00 135.92 1ftc s PRO 87 Ca 0.66 1.23 -0.20 0.00 0.02 0.00 0.00 61.00 62.71 1ftc s PRO 87 Cb -0.31 -1.75 -0.03 0.00 0.02 0.00 0.00 34.50 32.42 1ftc s PRO 87 CO 0.37 -2.52 1.31 -0.51 -0.33 0.00 0.00 177.00 175.32 1ftc s LEU 88 N -6.48 3.71 0.30 -5.54 1.43 -0.70 -4.88 118.68 106.53 1ftc s LEU 88 Ca 0.65 2.65 0.04 0.00 -1.03 0.00 0.00 54.13 56.44 1ftc s LEU 88 Cb -0.21 -4.46 0.66 0.00 0.03 0.00 0.00 46.19 42.20 1ftc s LEU 88 CO 0.58 -1.75 1.83 -0.65 0.23 0.00 0.00 176.35 176.60 1ftc h PRO 89 N 1.01 0.85 -0.74 1.29 0.11 -1.90 -0.82 132.00 131.80 1ftc h PRO 89 Ca -0.51 -0.05 -0.35 0.00 0.11 0.00 0.00 66.00 65.20 1ftc h PRO 89 Cb 1.31 -0.19 -0.21 0.00 0.11 0.00 0.00 31.00 32.03 1ftc h PRO 89 CO 0.55 0.56 0.35 -0.25 -0.21 0.00 0.00 178.00 179.01 1ftc n ASP 90 N -4.63 3.60 -0.27 -2.05 8.00 -1.26 -4.77 116.55 115.17 1ftc n ASP 90 Ca 0.19 -3.56 0.08 0.00 0.71 0.00 0.00 54.79 52.21 1ftc n ASP 90 Cb 0.43 -0.75 0.22 0.00 -0.02 0.00 0.00 41.12 40.99 1ftc n ASP 90 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ftc h ALA 91 N 1.34 1.09 0.00 2.24 0.00 -1.29 -1.20 119.26 121.45 1ftc h ALA 91 Ca 0.43 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.51 1ftc h ALA 91 Cb 2.38 0.23 0.00 0.00 0.00 0.00 0.00 17.79 20.39 1ftc h ALA 91 CO 0.80 -0.35 -0.09 -0.85 0.00 0.00 0.00 179.25 178.76 1ftc n GLU 92 N -5.14 0.09 -0.04 0.00 0.28 -1.26 -1.62 120.64 112.95 1ftc n GLU 92 Ca 0.17 0.06 -0.16 0.00 -0.16 0.00 0.00 57.16 57.07 1ftc n GLU 92 Cb 0.53 -1.59 -0.07 0.00 1.43 0.00 0.00 31.44 31.73 1ftc n GLU 92 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 1ftc h ASP 93 N 0.00 0.72 0.32 -1.84 5.19 -1.61 -3.29 116.42 115.91 1ftc h ASP 93 Ca 0.00 -0.61 0.00 0.00 -0.62 0.00 0.00 57.03 55.80 1ftc h ASP 93 Cb 0.58 -0.21 0.00 0.00 0.18 0.00 0.00 39.33 39.88 1ftc h ASP 93 CO 0.00 1.21 -0.22 0.79 -3.12 0.00 0.00 179.24 177.90 1ftc n TRP 94 N -4.17 0.00 -2.46 4.55 7.02 -0.64 -4.79 117.44 116.95 1ftc n TRP 94 Ca -0.07 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 55.99 1ftc n TRP 94 Cb 0.62 -0.16 -0.03 0.00 -2.42 0.00 0.00 31.31 29.31 1ftc n TRP 94 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 1ftc s ASP 95 N -2.54 7.12 0.00 -0.99 2.15 -0.67 -3.38 116.67 118.35 1ftc s ASP 95 Ca 0.24 1.96 0.00 0.00 0.43 0.00 0.00 52.55 55.18 1ftc s ASP 95 Cb 0.19 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 40.24 1ftc s ASP 95 CO 0.52 -0.45 0.00 0.61 -0.17 0.00 0.00 175.17 175.68 1ftc n GLY 96 N 3.18 1.41 3.81 2.66 0.00 -1.26 -5.00 105.19 109.98 1ftc n GLY 96 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 1ftc n GLY 96 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ftc s VAL 97 N -2.35 4.38 0.06 1.61 1.01 -1.22 -5.07 120.40 118.83 1ftc s VAL 97 Ca 0.00 1.53 0.02 0.00 0.00 0.00 0.00 61.98 63.54 1ftc s VAL 97 Cb 0.00 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 1ftc s VAL 97 CO 0.00 0.00 0.09 -0.54 0.00 0.00 0.00 175.10 174.65 1ftc s LYS 98 N -2.43 2.97 0.00 2.72 3.01 -1.26 -4.64 119.74 120.11 1ftc s LYS 98 Ca 0.52 -0.63 0.00 0.00 -1.01 0.00 0.00 55.97 54.85 1ftc s LYS 98 Cb -0.15 -2.78 0.00 0.00 -1.01 0.00 0.00 37.83 33.89 1ftc s LYS 98 CO 0.20 0.58 0.00 0.41 0.51 0.00 0.00 175.35 177.05 1ftc n GLY 99 N 0.55 0.59 0.09 -3.33 0.00 -1.26 -4.94 105.19 96.88 1ftc n GLY 99 Ca -0.09 -0.80 0.11 0.00 0.00 0.00 0.00 46.02 45.24 1ftc n GLY 99 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ftc n LYS 100 N -1.59 0.15 -0.38 1.61 5.02 -1.26 -3.05 118.16 118.66 1ftc n LYS 100 Ca 0.00 0.33 0.30 0.00 -2.02 0.00 0.00 58.31 56.92 1ftc n LYS 100 Cb 0.28 -1.76 0.57 0.00 -0.02 0.00 0.00 35.03 34.11 1ftc n LYS 100 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1ftc h LEU 101 N 0.00 0.36 -2.69 -0.35 5.85 -1.92 0.24 115.31 116.81 1ftc h LEU 101 Ca 0.00 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.86 1ftc h LEU 101 Cb 0.39 0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.52 1ftc h LEU 101 CO 0.00 -0.10 0.02 0.06 -0.34 0.00 0.00 178.44 178.08 1ftc h GLN 102 N 0.22 0.00 -0.49 1.25 3.07 -1.97 -0.64 115.11 116.56 1ftc h GLN 102 Ca 0.74 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.48 1ftc h GLN 102 Cb 2.06 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.62 1ftc h GLN 102 CO -0.43 0.00 0.00 0.72 0.09 0.00 0.00 178.83 179.21 1ftc n HIS 103 N -3.48 0.64 -1.72 0.06 8.25 0.86 -4.98 115.22 114.85 1ftc n HIS 103 Ca -0.03 -0.34 -0.42 0.00 -0.26 0.00 0.00 57.72 56.67 1ftc n HIS 103 Cb 0.09 -0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.17 1ftc n HIS 103 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1ftc s LEU 104 N -1.29 4.39 -0.10 2.41 2.96 -0.25 -4.96 118.68 121.85 1ftc s LEU 104 Ca 0.41 2.78 -0.03 0.00 -0.22 0.00 0.00 54.13 57.06 1ftc s LEU 104 Cb 0.23 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 43.31 1ftc s LEU 104 CO 0.31 -1.00 0.04 -1.61 -1.32 0.00 0.00 176.35 172.78 1ftc s GLU 105 N 2.37 3.13 0.00 1.98 2.02 -1.26 -5.11 118.70 121.82 1ftc s GLU 105 Ca 0.79 -0.33 0.22 0.00 0.02 0.00 0.00 54.97 55.67 1ftc s GLU 105 Cb -0.47 -2.91 0.17 0.00 0.10 0.00 0.00 34.13 31.02 1ftc s GLU 105 CO 0.35 0.72 1.19 -2.13 0.02 0.00 0.00 175.26 175.41