#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1frl s PHE 2 N 0.00 3.47 -0.05 0.00 0.40 -1.26 -1.20 117.98 119.34 1frl s PHE 2 Ca 0.00 0.56 0.04 0.00 -0.60 0.00 0.00 56.93 56.93 1frl s PHE 2 Cb 0.00 -2.02 -0.00 0.00 0.51 0.00 0.00 43.02 41.51 1frl s PHE 2 CO 0.00 0.31 -0.17 0.08 0.70 0.00 0.00 175.22 176.14 1frl s VAL 3 N -1.88 1.45 -0.10 -0.44 1.01 0.15 -4.69 120.40 115.91 1frl s VAL 3 Ca 0.42 -0.72 -0.16 0.00 0.00 0.00 0.00 61.98 61.52 1frl s VAL 3 Cb -0.11 -1.25 -0.05 0.00 0.00 0.00 0.00 36.38 34.97 1frl s VAL 3 CO 0.27 0.42 0.42 -0.69 0.00 0.00 0.00 175.10 175.52 1frl s VAL 4 N 0.11 5.18 0.00 2.92 1.01 -1.26 -1.61 120.40 126.74 1frl s VAL 4 Ca -0.06 0.83 0.00 0.00 0.00 0.00 0.00 61.98 62.75 1frl s VAL 4 Cb -0.12 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.51 1frl s VAL 4 CO 0.03 0.40 0.00 0.35 0.00 0.00 0.00 175.10 175.88 1frl n THR 5 N 3.19 0.00 -0.26 3.92 -2.24 -0.10 -4.88 114.28 113.91 1frl n THR 5 Ca -0.10 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 61.83 1frl n THR 5 Cb 0.52 -0.33 0.43 0.00 -2.10 0.00 0.00 70.33 68.85 1frl n THR 5 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1frl h ASP 6 N 0.00 0.57 0.81 3.42 3.58 -1.94 -2.79 116.42 120.06 1frl h ASP 6 Ca 0.00 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.50 1frl h ASP 6 Cb 0.00 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 40.99 1frl h ASP 6 CO 0.00 0.26 0.00 -3.20 -2.88 0.00 0.00 179.24 173.42 1frl n ASN 7 N -4.56 0.08 0.10 2.28 5.15 -1.26 -1.62 115.26 115.43 1frl n ASN 7 Ca 0.19 0.51 -0.02 0.00 -0.60 0.00 0.00 54.58 54.66 1frl n ASN 7 Cb 0.57 -0.53 0.21 0.00 -0.53 0.00 0.00 39.78 39.50 1frl n ASN 7 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1frl n ILE 9 N -3.99 0.13 -0.97 0.00 5.41 -0.64 -0.73 119.36 118.57 1frl n ILE 9 Ca -0.02 -0.03 0.00 0.00 1.00 0.00 0.00 62.75 63.70 1frl n ILE 9 Cb 0.51 -1.99 0.00 0.00 -0.71 0.00 0.00 39.64 37.45 1frl n ILE 9 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1frl n LYS 10 N 3.74 -1.50 -0.04 0.38 5.02 -0.38 -4.74 118.16 120.64 1frl n LYS 10 Ca 0.15 0.37 -0.08 0.00 -2.02 0.00 0.00 58.31 56.73 1frl n LYS 10 Cb 0.35 -4.57 -0.03 0.00 -0.02 0.00 0.00 35.03 30.77 1frl n LYS 10 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1frl n LYS 12 N -3.85 -0.66 0.18 0.00 4.81 -0.05 -2.64 118.16 115.95 1frl n LYS 12 Ca -0.15 0.28 0.03 0.00 -0.87 0.00 0.00 58.31 57.61 1frl n LYS 12 Cb 0.42 -2.31 0.32 0.00 0.02 0.00 0.00 35.03 33.49 1frl n LYS 12 CO 0.00 0.00 0.00 1.88 1.17 0.00 0.00 177.40 180.45 1frl h TYR 13 N -1.80 0.00 0.00 5.64 0.05 -1.90 -3.30 116.97 115.66 1frl h TYR 13 Ca -0.68 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.10 1frl h TYR 13 Cb 1.39 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.13 1frl h TYR 13 CO 0.32 0.42 0.00 0.25 -1.05 0.00 0.00 178.16 178.10 1frl n THR 14 N -3.76 0.00 -0.28 -2.88 -2.24 -1.26 -4.15 114.28 99.70 1frl n THR 14 Ca -0.01 0.00 0.20 0.00 -2.27 0.00 0.00 64.05 61.97 1frl n THR 14 Cb 0.49 -0.88 0.50 0.00 -2.10 0.00 0.00 70.33 68.34 1frl n THR 14 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1frl h ASP 15 N 0.00 0.45 -0.47 3.42 3.32 -1.88 -2.23 116.42 119.03 1frl h ASP 15 Ca 0.00 0.06 0.09 0.00 0.02 0.00 0.00 57.03 57.20 1frl h ASP 15 Cb 0.76 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.27 1frl h ASP 15 CO 0.00 0.15 0.32 0.00 -1.72 0.00 0.00 179.24 177.99 1frl h VAL 17 N 0.23 0.65 -0.62 0.00 -1.51 -1.79 -3.19 116.25 110.01 1frl h VAL 17 Ca 0.22 -1.14 0.05 0.00 -1.23 0.00 0.00 66.70 64.60 1frl h VAL 17 Cb 0.56 1.74 -0.05 0.00 -2.13 0.00 0.00 31.29 31.41 1frl h VAL 17 CO -0.04 0.24 0.34 -0.33 -1.23 0.00 0.00 177.57 176.55 1frl h GLU 18 N 0.00 0.62 0.00 5.19 3.07 -1.56 -2.67 114.58 119.23 1frl h GLU 18 Ca -0.00 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 1frl h GLU 18 Cb 0.72 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 28.50 1frl h GLU 18 CO 0.03 0.41 -0.30 1.55 -1.40 0.00 0.00 179.01 179.30 1frl n VAL 19 N -4.81 0.19 -1.98 3.13 3.14 -1.21 -4.88 118.33 111.92 1frl n VAL 19 Ca 0.07 -0.12 -0.42 0.00 -2.96 0.00 0.00 64.34 60.91 1frl n VAL 19 Cb 0.16 -0.20 -0.03 0.00 -1.06 0.00 0.00 33.84 32.71 1frl n VAL 19 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1frl h PRO 21 N 9.14 0.00 -0.06 0.00 0.13 -1.90 -3.34 132.00 135.96 1frl h PRO 21 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1frl h PRO 21 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1frl h PRO 21 CO 0.94 0.13 0.00 1.33 -0.23 0.00 0.00 178.00 180.17 1frl n VAL 22 N -3.22 0.30 -3.33 1.56 0.24 -1.26 -5.01 118.33 107.60 1frl n VAL 22 Ca 0.01 -0.65 -0.18 0.00 -2.04 0.00 0.00 64.34 61.48 1frl n VAL 22 Cb 0.43 0.94 0.07 0.00 -1.47 0.00 0.00 33.84 33.80 1frl n VAL 22 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1frl n ASP 23 N 0.25 -6.36 -1.32 -1.34 8.00 -1.25 -4.95 116.55 109.58 1frl n ASP 23 Ca 0.04 -0.77 0.02 0.00 0.71 0.00 0.00 54.79 54.79 1frl n ASP 23 Cb 0.21 -4.87 0.27 0.00 -0.02 0.00 0.00 41.12 36.70 1frl n ASP 23 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1frl s PHE 25 N -2.96 3.64 0.03 0.00 0.40 -1.26 0.09 117.98 117.91 1frl s PHE 25 Ca 0.47 0.72 0.06 0.00 -0.60 0.00 0.00 56.93 57.59 1frl s PHE 25 Cb 0.39 -2.09 -0.02 0.00 0.51 0.00 0.00 43.02 41.81 1frl s PHE 25 CO 0.09 0.66 -0.17 0.71 0.70 0.00 0.00 175.22 177.21 1frl s TYR 26 N -1.13 1.53 -0.16 0.36 1.51 -0.31 -1.65 117.35 117.50 1frl s TYR 26 Ca 0.22 -0.34 -0.06 0.00 -1.01 0.00 0.00 57.07 55.88 1frl s TYR 26 Cb -0.14 -0.93 -0.04 0.00 -0.11 0.00 0.00 41.96 40.75 1frl s TYR 26 CO 0.11 0.04 0.04 -2.00 -1.11 0.00 0.00 175.55 172.63 1frl s GLU 27 N -0.96 3.71 0.49 -0.62 2.12 0.13 -1.38 118.70 122.19 1frl s GLU 27 Ca 0.05 -0.37 0.03 0.00 0.36 0.00 0.00 54.97 55.04 1frl s GLU 27 Cb -0.08 -3.09 -0.03 0.00 0.26 0.00 0.00 34.13 31.20 1frl s GLU 27 CO 0.01 0.39 0.01 0.20 -0.54 0.00 0.00 175.26 175.33 1frl s GLY 28 N 0.03 2.89 0.21 -1.50 0.00 -0.45 -3.81 107.32 104.68 1frl s GLY 28 Ca 0.05 -0.87 -0.10 0.00 0.00 0.00 0.00 44.72 43.80 1frl s GLY 28 CO 0.01 -2.17 1.72 -2.55 0.00 0.00 0.00 173.10 170.12 1frl h PRO 29 N 1.44 0.31 0.00 2.90 0.11 -1.88 -3.31 132.00 131.58 1frl h PRO 29 Ca -0.44 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 65.53 1frl h PRO 29 Cb 1.30 -0.07 -0.27 0.00 0.11 0.00 0.00 31.00 32.07 1frl h PRO 29 CO 0.76 0.20 -0.85 0.27 -0.21 0.00 0.00 178.00 178.17 1frl n ASN 30 N -5.07 1.02 -3.46 -2.05 0.23 -1.26 -5.04 115.26 99.63 1frl n ASN 30 Ca 0.08 -2.33 -0.11 0.00 -0.53 0.00 0.00 54.58 51.69 1frl n ASN 30 Cb 0.29 -0.33 -0.02 0.00 -2.08 0.00 0.00 39.78 37.64 1frl n ASN 30 CO 0.00 0.00 0.00 0.12 -0.93 0.00 0.00 177.26 176.45 1frl s PHE 31 N -0.59 -0.47 0.10 -2.53 5.36 -1.25 -1.25 117.98 117.35 1frl s PHE 31 Ca 0.30 0.34 0.09 0.00 -0.96 0.00 0.00 56.93 56.70 1frl s PHE 31 Cb 0.33 0.54 -0.04 0.00 -0.34 0.00 0.00 43.02 43.52 1frl s PHE 31 CO -0.13 -0.70 -0.23 -0.51 -1.46 0.00 0.00 175.22 172.19 1frl s LEU 32 N -2.50 2.28 0.26 6.12 1.02 -1.26 -1.35 118.68 123.25 1frl s LEU 32 Ca 0.02 -0.68 0.07 0.00 0.02 0.00 0.00 54.13 53.55 1frl s LEU 32 Cb -0.01 -1.04 -0.05 0.00 0.02 0.00 0.00 46.19 45.11 1frl s LEU 32 CO -0.10 0.13 -0.08 0.68 0.02 0.00 0.00 176.35 177.00 1frl s VAL 33 N -1.06 1.68 -0.15 -1.59 -7.23 -0.48 -4.74 120.40 106.83 1frl s VAL 33 Ca 0.09 -2.15 -0.06 0.00 -1.81 0.00 0.00 61.98 58.06 1frl s VAL 33 Cb -0.10 -2.36 -0.04 0.00 0.56 0.00 0.00 36.38 34.45 1frl s VAL 33 CO 0.04 -0.37 0.03 -0.63 -0.31 0.00 0.00 175.10 173.87 1frl s ILE 34 N -2.99 4.55 -0.25 -0.62 1.01 -1.26 -1.16 121.20 120.48 1frl s ILE 34 Ca 0.28 -0.13 -0.29 0.00 0.00 0.00 0.00 60.65 60.51 1frl s ILE 34 Cb 0.02 -3.01 0.01 0.00 0.01 0.00 0.00 42.46 39.49 1frl s ILE 34 CO 0.11 0.50 1.15 -2.28 0.00 0.00 0.00 174.94 174.42 1frl s HIS 35 N 0.05 3.06 0.38 3.97 5.65 0.11 -4.59 115.29 123.93 1frl s HIS 35 Ca 0.04 1.18 0.14 0.00 0.25 0.00 0.00 55.06 56.67 1frl s HIS 35 Cb -0.13 -3.55 0.82 0.00 -1.18 0.00 0.00 32.58 28.54 1frl s HIS 35 CO 0.01 -1.05 1.87 -1.00 -0.65 0.00 0.00 174.74 173.92 1frl h PRO 36 N 8.12 0.00 -0.03 2.88 0.13 -1.89 -2.26 132.00 138.95 1frl h PRO 36 Ca -0.22 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.70 1frl h PRO 36 Cb 1.08 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 1frl h PRO 36 CO 1.00 0.32 -0.85 -0.44 -0.23 0.00 0.00 178.00 177.81 1frl h ASP 37 N 0.00 0.47 1.12 1.44 3.32 -1.99 -3.23 116.42 117.54 1frl h ASP 37 Ca -0.00 -0.35 -0.07 0.00 0.02 0.00 0.00 57.03 56.62 1frl h ASP 37 Cb 0.59 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 1frl h ASP 37 CO 0.04 1.12 -0.92 -1.28 -1.72 0.00 0.00 179.24 176.49 1frl h SER 38 N 0.23 0.00 -3.56 6.45 0.87 -1.84 -3.46 113.55 112.25 1frl h SER 38 Ca -0.05 0.00 -0.52 0.00 -1.23 0.00 0.00 61.79 59.98 1frl h SER 38 Cb 1.46 0.00 0.05 0.00 -0.44 0.00 0.00 62.40 63.47 1frl h SER 38 CO 0.14 0.28 0.69 0.00 -0.53 0.00 0.00 176.83 177.41 1frl n ILE 40 N 1.87 1.22 -2.43 0.00 -5.35 -1.26 -4.76 119.36 108.65 1frl n ILE 40 Ca 0.04 -1.09 -0.21 0.00 -0.27 0.00 0.00 62.75 61.23 1frl n ILE 40 Cb 0.41 0.39 -0.01 0.00 -1.74 0.00 0.00 39.64 38.70 1frl n ILE 40 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1frl n ASP 41 N 1.04 -5.87 0.18 7.28 8.00 -1.26 -4.86 116.55 121.07 1frl n ASP 41 Ca 0.20 -0.02 0.14 0.00 0.71 0.00 0.00 54.79 55.81 1frl n ASP 41 Cb 0.62 -4.88 0.62 0.00 -0.02 0.00 0.00 41.12 37.45 1frl n ASP 41 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1frl n ALA 43 N -1.86 -0.03 0.23 0.00 0.00 -1.26 -4.86 120.51 112.73 1frl n ALA 43 Ca 0.00 0.03 0.10 0.00 0.00 0.00 0.00 53.44 53.58 1frl n ALA 43 Cb 0.18 -1.36 0.56 0.00 0.00 0.00 0.00 19.45 18.83 1frl n ALA 43 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1frl h LEU 44 N 0.00 0.00 -0.26 0.00 4.07 -1.92 -3.18 115.31 114.01 1frl h LEU 44 Ca -0.04 0.00 -0.18 0.00 0.08 0.00 0.00 57.88 57.74 1frl h LEU 44 Cb 0.90 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.62 1frl h LEU 44 CO 0.06 0.20 -0.87 0.00 -1.08 0.00 0.00 178.44 176.74 1frl h GLU 46 N 0.01 0.00 0.00 0.00 4.11 -1.88 -0.81 114.58 116.01 1frl h GLU 46 Ca -0.01 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.39 1frl h GLU 46 Cb 1.54 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.79 1frl h GLU 46 CO 0.12 0.34 -0.11 -1.35 0.07 0.00 0.00 179.01 178.08 1frl h PRO 47 N 0.00 0.00 0.00 1.06 0.11 -1.78 -3.23 132.00 128.16 1frl h PRO 47 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1frl h PRO 47 Cb 0.94 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.05 1frl h PRO 47 CO 0.04 0.11 -0.33 0.93 -0.21 0.00 0.00 178.00 178.54 1frl h GLU 48 N 0.00 0.00 -6.27 1.05 4.39 -1.31 -3.45 114.58 108.99 1frl h GLU 48 Ca -0.00 0.00 -0.56 0.00 0.34 0.00 0.00 59.36 59.14 1frl h GLU 48 Cb 0.34 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.96 1frl h GLU 48 CO 0.01 0.00 1.08 0.00 -1.16 0.00 0.00 179.01 178.94 1frl h PRO 50 N 10.08 0.04 -0.00 0.00 0.11 -1.92 -1.92 132.00 138.38 1frl h PRO 50 Ca -0.33 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1frl h PRO 50 Cb 1.14 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1frl h PRO 50 CO 1.00 0.22 -0.02 0.00 -0.21 0.00 0.00 178.00 178.99 1frl n ALA 51 N -2.50 2.61 -4.10 -0.75 0.00 -1.26 -4.90 120.51 109.62 1frl n ALA 51 Ca -0.02 -0.20 -0.29 0.00 0.00 0.00 0.00 53.44 52.93 1frl n ALA 51 Cb 0.26 -1.47 -0.04 0.00 0.00 0.00 0.00 19.45 18.20 1frl n ALA 51 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1frl n GLN 52 N -1.06 -2.69 0.00 0.00 1.13 -0.72 -4.86 117.38 109.17 1frl n GLN 52 Ca 0.19 0.32 0.11 0.00 -1.94 0.00 0.00 57.00 55.68 1frl n GLN 52 Cb 0.20 -4.42 -0.01 0.00 0.11 0.00 0.00 30.24 26.12 1frl n GLN 52 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1frl n ALA 53 N -4.43 4.26 -2.54 -1.58 0.00 -1.26 -4.93 120.51 110.03 1frl n ALA 53 Ca -0.24 -0.55 -0.38 0.00 0.00 0.00 0.00 53.44 52.27 1frl n ALA 53 Cb 0.65 -0.86 -0.06 0.00 0.00 0.00 0.00 19.45 19.18 1frl n ALA 53 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1frl s ILE 54 N -2.89 5.05 0.04 0.00 1.01 -1.26 -0.92 121.20 122.22 1frl s ILE 54 Ca 0.11 0.89 0.01 0.00 0.00 0.00 0.00 60.65 61.66 1frl s ILE 54 Cb 0.17 -3.75 -0.02 0.00 0.01 0.00 0.00 42.46 38.86 1frl s ILE 54 CO 0.77 0.50 -0.06 -0.36 0.00 0.00 0.00 174.94 175.80 1frl s PHE 55 N -0.58 0.53 0.35 3.97 0.40 -0.63 -4.85 117.98 117.17 1frl s PHE 55 Ca 0.24 -0.53 -0.28 0.00 -0.60 0.00 0.00 56.93 55.76 1frl s PHE 55 Cb -0.16 -0.33 -0.11 0.00 0.51 0.00 0.00 43.02 42.93 1frl s PHE 55 CO 0.13 -0.13 1.38 0.45 0.70 0.00 0.00 175.22 177.75 1frl s SER 56 N -1.60 6.60 0.34 1.36 0.15 -1.26 0.33 113.70 119.62 1frl s SER 56 Ca -0.11 2.83 0.13 0.00 0.70 0.00 0.00 55.95 59.50 1frl s SER 56 Cb -0.09 -2.66 1.06 0.00 -1.71 0.00 0.00 66.02 62.62 1frl s SER 56 CO -0.00 -0.67 1.64 -0.08 1.20 0.00 0.00 173.24 175.33 1frl h GLU 57 N 3.23 0.21 0.00 5.44 4.81 -1.48 0.27 114.58 127.06 1frl h GLU 57 Ca -0.50 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 1frl h GLU 57 Cb 1.23 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.56 1frl h GLU 57 CO 0.65 0.14 0.00 -0.40 -0.73 0.00 0.00 179.01 178.67 1frl n ASP 58 N -5.15 0.00 0.00 1.04 5.68 -1.26 -2.99 116.55 113.87 1frl n ASP 58 Ca 0.31 -1.25 0.00 0.00 -0.50 0.00 0.00 54.79 53.35 1frl n ASP 58 Cb 0.98 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.96 1frl n ASP 58 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1frl n GLU 59 N -0.87 1.61 -1.71 0.11 1.02 0.91 -5.03 120.64 116.68 1frl n GLU 59 Ca 0.18 -1.08 -0.42 0.00 -0.02 0.00 0.00 57.16 55.82 1frl n GLU 59 Cb 0.08 -0.90 -0.03 0.00 -0.02 0.00 0.00 31.44 30.57 1frl n GLU 59 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1frl s VAL 60 N -0.60 2.29 0.78 2.62 1.01 -1.08 -4.88 120.40 120.54 1frl s VAL 60 Ca 0.00 0.02 -0.15 0.00 0.00 0.00 0.00 61.98 61.85 1frl s VAL 60 Cb 0.00 -3.01 -0.00 0.00 0.00 0.00 0.00 36.38 33.36 1frl s VAL 60 CO 0.00 0.00 0.63 -2.65 0.00 0.00 0.00 175.10 173.08 1frl n PRO 61 N 4.91 0.19 -0.28 2.72 -0.02 -1.26 -4.81 135.00 136.45 1frl n PRO 61 Ca 0.17 0.11 0.01 0.00 -2.02 0.00 0.00 63.50 61.78 1frl n PRO 61 Cb 0.37 -1.95 0.14 0.00 -0.02 0.00 0.00 33.50 32.04 1frl n PRO 61 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1frl h GLU 62 N -0.66 0.77 0.00 -0.52 4.22 -2.02 -0.99 114.58 115.38 1frl h GLU 62 Ca -0.45 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 58.94 1frl h GLU 62 Cb 1.33 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1frl h GLU 62 CO 0.42 0.51 0.00 -0.40 -2.18 0.00 0.00 179.01 177.36 1frl n ASP 63 N -4.73 0.00 -0.03 1.04 5.75 -1.26 -3.07 116.55 114.25 1frl n ASP 63 Ca 0.12 -1.50 0.03 0.00 -0.01 0.00 0.00 54.79 53.43 1frl n ASP 63 Cb 0.23 0.00 0.04 0.00 -1.03 0.00 0.00 41.12 40.36 1frl n ASP 63 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 1frl n MET 64 N -0.69 2.36 0.31 0.11 2.81 -0.38 -4.79 117.12 116.85 1frl n MET 64 Ca 0.09 -1.73 0.17 0.00 -1.81 0.00 0.00 57.70 54.41 1frl n MET 64 Cb 0.04 -1.10 0.91 0.00 -0.71 0.00 0.00 33.22 32.35 1frl n MET 64 CO 0.00 0.00 0.00 1.96 1.51 0.00 0.00 175.97 179.44 1frl h GLN 65 N 0.00 0.00 -0.04 0.03 1.08 -1.47 0.27 115.11 114.99 1frl h GLN 65 Ca 0.00 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 57.09 1frl h GLN 65 Cb 0.67 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.09 1frl h GLN 65 CO 0.00 0.00 -0.47 0.93 -0.95 0.00 0.00 178.83 178.34 1frl h GLU 66 N 0.00 0.09 0.00 1.46 3.07 -1.88 -2.97 114.58 114.35 1frl h GLU 66 Ca 0.00 -0.05 -0.02 0.00 -0.50 0.00 0.00 59.36 58.80 1frl h GLU 66 Cb 0.39 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.30 1frl h GLU 66 CO 0.00 0.54 -0.09 0.74 -1.40 0.00 0.00 179.01 178.80 1frl h PHE 67 N 0.07 0.00 0.12 4.33 0.04 -1.29 -2.09 116.94 118.13 1frl h PHE 67 Ca 0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.77 1frl h PHE 67 Cb 0.86 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.01 1frl h PHE 67 CO 0.01 0.09 -0.06 0.82 -0.60 0.00 0.00 178.31 178.57 1frl h ILE 68 N 0.00 0.93 -0.02 -0.55 2.04 -1.70 0.21 117.51 118.41 1frl h ILE 68 Ca -0.00 -0.21 -0.15 0.00 1.00 0.00 0.00 64.86 65.50 1frl h ILE 68 Cb 0.23 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.36 1frl h ILE 68 CO 0.01 0.05 -0.65 -0.61 0.00 0.00 0.00 178.15 176.95 1frl h GLN 69 N -0.26 0.10 -0.63 2.37 4.15 -1.72 -3.01 115.11 116.12 1frl h GLN 69 Ca -0.02 -0.08 -0.03 0.00 0.77 0.00 0.00 58.65 59.29 1frl h GLN 69 Cb 0.21 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.89 1frl h GLN 69 CO 0.03 0.72 0.26 1.25 -1.93 0.00 0.00 178.83 179.16 1frl h LEU 70 N 0.07 0.86 -1.06 -2.39 6.46 -0.84 -0.78 115.31 117.63 1frl h LEU 70 Ca -0.01 -0.16 -0.00 0.00 -0.12 0.00 0.00 57.88 57.59 1frl h LEU 70 Cb 1.17 -0.22 -0.04 0.00 -0.73 0.00 0.00 40.66 40.83 1frl h LEU 70 CO 0.09 0.78 0.54 0.78 -0.62 0.00 0.00 178.44 180.02 1frl h ASN 71 N 0.88 1.04 -0.37 1.25 -0.26 -0.86 -0.21 115.58 117.04 1frl h ASN 71 Ca 0.21 -0.05 -0.05 0.00 -0.56 0.00 0.00 56.30 55.85 1frl h ASN 71 Cb 0.19 -0.26 -0.01 0.00 -1.06 0.00 0.00 38.32 37.17 1frl h ASN 71 CO -0.02 0.79 0.03 0.00 -1.06 0.00 0.00 177.43 177.17 1frl h ALA 72 N 1.39 0.49 -0.08 -0.83 0.00 -1.27 -2.08 119.26 116.90 1frl h ALA 72 Ca 0.32 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 1frl h ALA 72 Cb -0.07 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.59 1frl h ALA 72 CO -0.06 0.22 -0.39 0.93 0.00 0.00 0.00 179.25 179.96 1frl h GLU 73 N 0.45 0.40 0.00 0.00 4.39 -0.74 -3.26 114.58 115.82 1frl h GLU 73 Ca 0.11 -0.32 -0.01 0.00 0.34 0.00 0.00 59.36 59.47 1frl h GLU 73 Cb 0.41 0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 29.12 1frl h GLU 73 CO 0.01 0.96 -0.04 -0.07 -1.16 0.00 0.00 179.01 178.71 1frl h LEU 74 N -0.07 0.00 -1.11 1.33 3.38 -1.05 -2.66 115.31 115.12 1frl h LEU 74 Ca -0.03 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 1frl h LEU 74 Cb 1.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 1frl h LEU 74 CO 0.08 0.04 -0.34 0.00 0.09 0.00 0.00 178.44 178.32 1frl h ALA 75 N 1.96 1.08 0.00 1.53 0.00 -1.41 0.55 119.26 122.96 1frl h ALA 75 Ca -0.00 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1frl h ALA 75 Cb 0.74 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1frl h ALA 75 CO 0.01 0.42 0.00 0.93 0.00 0.00 0.00 179.25 180.60 1frl h GLU 76 N 0.00 0.00 0.00 0.00 4.39 -1.52 -3.36 114.58 114.09 1frl h GLU 76 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1frl h GLU 76 Cb 0.79 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.44 1frl h GLU 76 CO 0.04 0.00 -1.05 1.33 -1.16 0.00 0.00 179.01 178.17 1frl n VAL 77 N -2.65 0.00 -3.03 3.13 0.24 -0.29 -5.03 118.33 110.70 1frl n VAL 77 Ca 0.03 -0.10 -0.30 0.00 -2.04 0.00 0.00 64.34 61.93 1frl n VAL 77 Cb 0.39 0.48 -0.03 0.00 -1.47 0.00 0.00 33.84 33.21 1frl n VAL 77 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 1frl s TRP 78 N -2.13 3.47 0.51 6.34 0.51 0.03 -5.08 118.94 122.59 1frl s TRP 78 Ca -0.01 0.92 -0.20 0.00 -2.12 0.00 0.00 56.10 54.69 1frl s TRP 78 Cb 0.02 -2.33 -0.07 0.00 -0.81 0.00 0.00 33.47 30.27 1frl s TRP 78 CO 0.13 -0.00 1.08 -1.25 -0.51 0.00 0.00 176.95 176.39 1frl s PRO 79 N -3.70 3.60 0.27 4.98 0.04 -1.25 -4.66 135.00 134.29 1frl s PRO 79 Ca 0.49 1.48 -0.30 0.00 0.04 0.00 0.00 61.00 62.71 1frl s PRO 79 Cb -0.10 -2.05 -0.10 0.00 0.04 0.00 0.00 34.50 32.28 1frl s PRO 79 CO 0.30 -0.62 1.39 1.21 0.04 0.00 0.00 177.00 179.32 1frl s ASN 80 N -1.88 6.70 -0.11 6.66 3.04 -1.26 0.21 114.94 128.30 1frl s ASN 80 Ca 0.70 2.66 0.01 0.00 0.04 0.00 0.00 52.86 56.27 1frl s ASN 80 Cb -0.20 -2.63 -0.02 0.00 -1.54 0.00 0.00 41.25 36.87 1frl s ASN 80 CO 0.23 -0.65 -0.14 -0.51 -3.04 0.00 0.00 177.10 172.99 1frl s ILE 81 N -0.33 3.00 0.00 -5.21 2.07 -0.66 -4.75 121.20 115.32 1frl s ILE 81 Ca 0.56 -0.69 0.00 0.00 -1.41 0.00 0.00 60.65 59.11 1frl s ILE 81 Cb -0.41 -2.24 0.00 0.00 0.13 0.00 0.00 42.46 39.95 1frl s ILE 81 CO 0.46 0.54 0.26 0.35 -1.91 0.00 0.00 174.94 174.64 1frl n THR 82 N 3.25 0.00 -5.17 4.00 -2.24 -1.26 -4.45 114.28 108.41 1frl n THR 82 Ca -0.18 -0.43 -0.29 0.00 -2.27 0.00 0.00 64.05 60.88 1frl n THR 82 Cb 0.53 1.09 -0.16 0.00 -2.10 0.00 0.00 70.33 69.68 1frl n THR 82 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1frl s GLU 83 N -0.34 1.96 0.71 -0.78 2.02 -1.26 -4.83 118.70 116.18 1frl s GLU 83 Ca 0.00 -0.84 -0.16 0.00 0.02 0.00 0.00 54.97 53.99 1frl s GLU 83 Cb 0.00 -1.86 0.00 0.00 0.10 0.00 0.00 34.13 32.37 1frl s GLU 83 CO 0.00 0.48 1.01 1.17 0.02 0.00 0.00 175.26 177.94 1frl n LYS 84 N 2.57 0.58 -3.37 1.61 4.81 -1.26 -5.01 118.16 118.09 1frl n LYS 84 Ca -0.16 0.26 -0.12 0.00 -0.87 0.00 0.00 58.31 57.42 1frl n LYS 84 Cb 0.52 -2.26 -0.05 0.00 0.02 0.00 0.00 35.03 33.27 1frl n LYS 84 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 1frl n LYS 85 N -1.85 0.27 -2.35 1.64 2.85 -1.26 -5.10 118.16 112.35 1frl n LYS 85 Ca 0.13 -2.06 -0.35 0.00 -1.05 0.00 0.00 58.31 54.98 1frl n LYS 85 Cb 0.49 1.71 -0.01 0.00 -0.65 0.00 0.00 35.03 36.57 1frl n LYS 85 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1frl s ASP 86 N -2.45 6.02 0.67 -5.58 1.01 -1.26 -4.70 116.67 110.39 1frl s ASP 86 Ca 0.25 2.12 -0.17 0.00 0.71 0.00 0.00 52.55 55.46 1frl s ASP 86 Cb 0.01 -2.58 -0.00 0.00 1.01 0.00 0.00 42.92 41.36 1frl s ASP 86 CO 0.17 -1.01 1.16 -2.65 0.21 0.00 0.00 175.17 173.06 1frl n PRO 87 N -1.00 0.86 -1.48 8.23 -0.02 -1.26 -4.89 135.00 135.43 1frl n PRO 87 Ca 0.10 0.35 -0.36 0.00 -2.02 0.00 0.00 63.50 61.56 1frl n PRO 87 Cb 0.51 -2.40 0.07 0.00 -0.02 0.00 0.00 33.50 31.66 1frl n PRO 87 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1frl n LEU 88 N -1.80 3.78 -0.29 2.45 4.77 -1.08 -4.87 117.00 119.96 1frl n LEU 88 Ca 0.15 0.72 -0.03 0.00 -0.03 0.00 0.00 56.01 56.82 1frl n LEU 88 Cb 0.48 -1.41 0.09 0.00 -2.33 0.00 0.00 43.42 40.25 1frl n LEU 88 CO 0.48 -1.91 1.19 -0.65 -1.33 0.00 0.00 177.39 175.17 1frl h PRO 89 N 0.05 0.99 -0.70 3.23 0.11 -1.90 0.11 132.00 133.89 1frl h PRO 89 Ca -0.48 -0.06 -0.20 0.00 0.11 0.00 0.00 66.00 65.37 1frl h PRO 89 Cb 1.35 -0.22 -0.12 0.00 0.11 0.00 0.00 31.00 32.12 1frl h PRO 89 CO 0.49 0.65 0.24 -0.25 -0.21 0.00 0.00 178.00 178.92 1frl n ASP 90 N -4.57 4.79 -0.35 -2.05 9.92 -1.26 -4.74 116.55 118.29 1frl n ASP 90 Ca 0.09 -3.22 0.14 0.00 -0.53 0.00 0.00 54.79 51.26 1frl n ASP 90 Cb 0.06 -0.73 0.34 0.00 -0.64 0.00 0.00 41.12 40.15 1frl n ASP 90 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1frl h ALA 91 N 2.66 1.71 -0.00 2.24 0.00 -1.13 -0.75 119.26 123.98 1frl h ALA 91 Ca 0.24 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1frl h ALA 91 Cb 2.27 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 20.00 1frl h ALA 91 CO 0.70 -0.10 -0.16 -0.85 0.00 0.00 0.00 179.25 178.84 1frl n GLU 92 N -4.78 0.65 -0.12 0.00 -0.00 -1.26 -1.97 120.64 113.15 1frl n GLU 92 Ca 0.24 -0.27 -0.13 0.00 -0.00 0.00 0.00 57.16 57.00 1frl n GLU 92 Cb 0.61 -1.49 -0.03 0.00 -0.00 0.00 0.00 31.44 30.53 1frl n GLU 92 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 1frl h ASP 93 N 0.66 0.97 1.38 -1.84 3.32 -1.51 -3.24 116.42 116.15 1frl h ASP 93 Ca 0.00 -0.47 0.00 0.00 0.02 0.00 0.00 57.03 56.58 1frl h ASP 93 Cb 0.41 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1frl h ASP 93 CO 0.00 1.24 -0.29 -0.50 -1.72 0.00 0.00 179.24 177.96 1frl h TRP 94 N 0.71 0.00 -2.37 4.55 4.06 -1.44 -3.44 115.95 118.02 1frl h TRP 94 Ca 0.06 0.00 -0.58 0.00 2.06 0.00 0.00 58.89 60.43 1frl h TRP 94 Cb 0.97 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.11 1frl h TRP 94 CO 0.07 0.00 1.37 0.34 -3.56 0.00 0.00 178.44 176.65 1frl s ASP 95 N -4.95 5.67 0.00 -3.49 -1.08 -0.83 -1.63 116.67 110.37 1frl s ASP 95 Ca 0.07 1.49 0.00 0.00 -0.52 0.00 0.00 52.55 53.59 1frl s ASP 95 Cb 0.11 -2.52 0.00 0.00 -1.46 0.00 0.00 42.92 39.05 1frl s ASP 95 CO 0.67 -1.85 0.00 0.61 0.52 0.00 0.00 175.17 175.12 1frl n GLY 96 N 5.57 0.85 3.73 2.66 0.00 -1.26 -5.01 105.19 111.73 1frl n GLY 96 Ca 0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.86 1frl n GLY 96 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1frl s VAL 97 N -2.02 3.52 0.50 1.61 1.01 -0.65 -5.03 120.40 119.35 1frl s VAL 97 Ca 0.00 1.20 -0.04 0.00 0.00 0.00 0.00 61.98 63.13 1frl s VAL 97 Cb 0.00 -3.77 -0.02 0.00 0.00 0.00 0.00 36.38 32.60 1frl s VAL 97 CO 0.00 0.15 0.79 -1.59 0.00 0.00 0.00 175.10 174.45 1frl s LYS 98 N 0.27 3.28 -0.56 2.72 -2.85 -1.26 -4.46 119.74 116.88 1frl s LYS 98 Ca 0.57 0.01 -0.00 0.00 -1.00 0.00 0.00 55.97 55.54 1frl s LYS 98 Cb -0.34 -2.39 0.00 0.00 -2.06 0.00 0.00 37.83 33.05 1frl s LYS 98 CO 0.34 -0.35 0.07 0.41 0.10 0.00 0.00 175.35 175.92 1frl n GLY 99 N -2.31 0.15 0.00 0.59 0.00 -1.26 -4.93 105.19 97.43 1frl n GLY 99 Ca 0.02 -0.56 0.15 0.00 0.00 0.00 0.00 46.02 45.63 1frl n GLY 99 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1frl n LYS 100 N -1.71 0.92 0.10 1.61 5.02 -1.26 -3.79 118.16 119.06 1frl n LYS 100 Ca -0.07 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.25 1frl n LYS 100 Cb 0.55 -1.50 0.38 0.00 -0.02 0.00 0.00 35.03 34.45 1frl n LYS 100 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1frl h LEU 101 N 0.00 0.26 -2.13 -0.35 5.85 -1.91 0.12 115.31 117.15 1frl h LEU 101 Ca 0.00 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.67 1frl h LEU 101 Cb 0.02 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 40.98 1frl h LEU 101 CO 0.00 0.39 0.00 0.06 -0.34 0.00 0.00 178.44 178.55 1frl h GLN 102 N 0.27 0.00 -0.02 1.25 3.07 -2.00 -1.10 115.11 116.58 1frl h GLN 102 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.80 1frl h GLN 102 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.91 1frl h GLN 102 CO 0.02 0.00 -0.09 0.72 0.09 0.00 0.00 178.83 179.57 1frl n HIS 103 N -2.81 0.00 -1.92 0.06 8.25 0.43 -4.98 115.22 114.26 1frl n HIS 103 Ca -0.01 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.03 1frl n HIS 103 Cb 0.12 -0.02 -0.01 0.00 1.12 0.00 0.00 29.99 31.20 1frl n HIS 103 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1frl s LEU 104 N -2.12 4.36 -0.09 2.41 2.96 -0.42 -4.95 118.68 120.83 1frl s LEU 104 Ca 0.31 2.88 0.01 0.00 -0.22 0.00 0.00 54.13 57.11 1frl s LEU 104 Cb 0.20 -3.65 -0.02 0.00 0.50 0.00 0.00 46.19 43.22 1frl s LEU 104 CO 0.38 -0.76 -0.10 -1.61 -1.32 0.00 0.00 176.35 172.94 1frl s GLU 105 N -1.52 2.97 0.00 1.98 2.02 -1.26 -5.10 118.70 117.79 1frl s GLU 105 Ca 0.54 -0.62 0.31 0.00 0.02 0.00 0.00 54.97 55.22 1frl s GLU 105 Cb -0.44 -2.59 1.75 0.00 0.10 0.00 0.00 34.13 32.95 1frl s GLU 105 CO 0.55 0.48 2.14 -2.13 0.02 0.00 0.00 175.26 176.32