#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f5b s ALA 0 N 0.00 1.71 0.00 -2.53 0.00 -1.26 -5.48 121.76 114.20 3f5b s ALA 0 Ca 0.00 -1.59 0.00 0.00 0.00 0.00 0.00 51.96 50.37 3f5b s ALA 0 Cb 0.00 -4.57 0.00 0.00 0.00 0.00 0.00 23.12 18.55 3f5b s ALA 0 CO 0.00 -4.82 0.00 -0.85 0.00 0.00 0.00 175.76 170.09 3f5b n GLU 9 N 8.80 0.00 -2.68 0.00 0.28 -1.26 -5.45 120.64 120.32 3f5b n GLU 9 Ca 0.40 0.00 -0.40 0.00 -0.16 0.00 0.00 57.16 57.00 3f5b n GLU 9 Cb 0.47 0.00 -0.05 0.00 1.43 0.00 0.00 31.44 33.29 3f5b n GLU 9 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 3f5b s PHE 10 N -2.46 3.86 0.02 -1.84 0.40 -1.26 -4.98 117.98 111.73 3f5b s PHE 10 Ca 0.00 1.84 -0.11 0.00 -0.60 0.00 0.00 56.93 58.06 3f5b s PHE 10 Cb 0.00 -3.06 -0.32 0.00 0.51 0.00 0.00 43.02 40.15 3f5b s PHE 10 CO 0.00 0.17 0.94 -0.09 0.70 0.00 0.00 175.22 176.95 3f5b h ARG 11 N 4.43 0.42 -6.16 0.44 2.43 -1.97 -3.48 114.38 110.49 3f5b h ARG 11 Ca -0.45 -0.71 -0.50 0.00 -0.81 0.00 0.00 59.98 57.51 3f5b h ARG 11 Cb 1.20 0.26 -0.03 0.00 -0.42 0.00 0.00 29.97 30.99 3f5b h ARG 11 CO 0.69 1.32 -0.48 -0.06 -1.51 0.00 0.00 179.97 179.94 3f5b s PHE 12 N -2.61 3.34 0.01 2.20 0.08 -1.26 -4.43 117.98 115.31 3f5b s PHE 12 Ca -0.09 -0.01 0.08 0.00 0.12 0.00 0.00 56.93 57.02 3f5b s PHE 12 Cb 0.05 -1.55 -0.02 0.00 -0.57 0.00 0.00 43.02 40.94 3f5b s PHE 12 CO 0.90 0.49 -0.23 0.00 -0.10 0.00 0.00 175.22 176.28 3f5b s PHE 14 N -0.65 1.14 0.02 0.00 0.08 -1.26 0.23 117.98 117.55 3f5b s PHE 14 Ca 0.09 -0.25 -0.06 0.00 0.12 0.00 0.00 56.93 56.83 3f5b s PHE 14 Cb -0.09 -0.76 -0.01 0.00 -0.57 0.00 0.00 43.02 41.59 3f5b s PHE 14 CO 0.00 -0.06 0.11 -1.59 -0.10 0.00 0.00 175.22 173.59 3f5b s LYS 15 N -0.13 0.54 0.00 0.44 0.00 -0.79 -5.00 119.74 114.81 3f5b s LYS 15 Ca 0.02 -0.61 0.00 0.00 0.00 0.00 0.00 55.97 55.37 3f5b s LYS 15 Cb -0.07 0.22 0.00 0.00 0.00 0.00 0.00 37.83 37.98 3f5b s LYS 15 CO 0.00 -0.13 0.00 1.04 0.00 0.00 0.00 175.35 176.26 3f5b n GLN 16 N 1.05 3.12 -3.69 1.78 6.02 -1.26 -1.15 117.38 123.25 3f5b n GLN 16 Ca -0.21 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 56.74 3f5b n GLN 16 Cb 0.57 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.82 3f5b n GLN 16 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 3f5b s ASN 18 N -1.83 -0.23 0.56 1.08 0.01 -1.26 -4.79 114.94 108.48 3f5b s ASN 18 Ca 0.00 -0.31 0.27 0.00 -0.71 0.00 0.00 52.86 52.11 3f5b s ASN 18 Cb 0.00 0.47 1.49 0.00 0.41 0.00 0.00 41.25 43.62 3f5b s ASN 18 CO 0.00 -0.84 2.01 0.11 -1.51 0.00 0.00 177.10 176.86 3f5b h LYS 19 N 2.00 0.00 0.00 -0.60 1.57 -1.99 -1.46 116.57 116.09 3f5b h LYS 19 Ca -0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 3f5b h LYS 19 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.54 3f5b h LYS 19 CO 0.27 0.00 0.00 -1.13 -0.57 0.00 0.00 179.45 178.02 3f5b n SER 20 N -4.06 0.51 -0.70 0.86 3.41 -1.26 -2.20 113.62 110.19 3f5b n SER 20 Ca 0.07 0.61 0.08 0.00 -0.26 0.00 0.00 58.87 59.37 3f5b n SER 20 Cb 0.53 -0.73 0.09 0.00 -0.26 0.00 0.00 64.21 63.85 3f5b n SER 20 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3f5b n GLN 21 N -2.05 1.53 0.16 4.33 6.02 -0.55 -4.68 117.38 122.13 3f5b n GLN 21 Ca 0.03 -1.61 -0.14 0.00 -0.01 0.00 0.00 57.00 55.27 3f5b n GLN 21 Cb 0.24 -1.33 -0.06 0.00 1.02 0.00 0.00 30.24 30.11 3f5b n GLN 21 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 3f5b h HIS 22 N 3.17 -0.73 -0.58 1.08 2.76 -1.49 -2.28 115.15 117.07 3f5b h HIS 22 Ca 0.00 0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 58.12 3f5b h HIS 22 Cb 0.71 0.29 -0.03 0.00 1.55 0.00 0.00 27.41 29.93 3f5b h HIS 22 CO 0.06 -0.39 0.12 0.93 -1.30 0.00 0.00 177.93 177.35 3f5b h GLU 23 N -0.54 0.91 -0.28 5.26 5.08 -1.83 0.18 114.58 123.35 3f5b h GLU 23 Ca 0.01 -0.20 0.07 0.00 -1.00 0.00 0.00 59.36 58.23 3f5b h GLU 23 Cb 0.52 -0.13 -0.07 0.00 0.50 0.00 0.00 28.75 29.58 3f5b h GLU 23 CO -0.09 0.83 -0.19 1.25 -1.00 0.00 0.00 179.01 179.81 3f5b h LEU 24 N 0.87 -0.62 -0.33 1.33 5.85 -1.82 -0.91 115.31 119.69 3f5b h LEU 24 Ca 0.19 0.13 -0.18 0.00 0.84 0.00 0.00 57.88 58.86 3f5b h LEU 24 Cb 0.34 0.31 -0.00 0.00 0.37 0.00 0.00 40.66 41.68 3f5b h LEU 24 CO 0.00 -0.22 -0.51 0.58 -0.34 0.00 0.00 178.44 177.95 3f5b h VAL 25 N -0.16 1.27 -0.83 1.05 2.07 -1.08 -1.82 116.25 116.75 3f5b h VAL 25 Ca 0.15 -1.69 0.11 0.00 0.82 0.00 0.00 66.70 66.09 3f5b h VAL 25 Cb 0.40 1.56 -0.08 0.00 -1.52 0.00 0.00 31.29 31.65 3f5b h VAL 25 CO -0.38 0.55 0.47 -0.07 0.02 0.00 0.00 177.57 178.16 3f5b h LEU 26 N 0.69 0.65 -0.23 2.57 3.38 -0.68 -1.49 115.31 120.19 3f5b h LEU 26 Ca 0.03 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 3f5b h LEU 26 Cb 1.11 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 3f5b h LEU 26 CO 0.11 0.35 0.09 1.23 0.09 0.00 0.00 178.44 180.31 3f5b h GLY 27 N 0.76 0.38 0.03 0.83 0.00 -1.01 -3.08 103.07 100.98 3f5b h GLY 27 Ca 0.41 -0.22 0.14 0.00 0.00 0.00 0.00 47.33 47.66 3f5b h GLY 27 CO -0.27 0.20 0.15 1.49 0.00 0.00 0.00 176.54 178.11 3f5b h TRP 28 N 0.22 0.23 -0.31 5.60 6.55 -0.52 -1.48 115.95 126.23 3f5b h TRP 28 Ca 0.08 0.04 0.00 0.00 0.95 0.00 0.00 58.89 59.96 3f5b h TRP 28 Cb 0.20 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.51 3f5b h TRP 28 CO -0.00 -0.07 0.00 0.44 -1.05 0.00 0.00 178.44 177.76 3f5b n ILE 29 N -5.15 0.42 -0.30 1.49 -5.35 -0.64 -2.34 119.36 107.48 3f5b n ILE 29 Ca 0.12 -0.43 0.07 0.00 -0.27 0.00 0.00 62.75 62.23 3f5b n ILE 29 Cb 0.40 0.24 0.19 0.00 -1.74 0.00 0.00 39.64 38.73 3f5b n ILE 29 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 3f5b n HIS 30 N 0.46 0.61 -2.68 4.28 8.25 -0.56 -4.63 115.22 120.94 3f5b n HIS 30 Ca 0.12 -0.55 -0.38 0.00 -0.26 0.00 0.00 57.72 56.65 3f5b n HIS 30 Cb 0.29 -0.07 -0.06 0.00 1.12 0.00 0.00 29.99 31.28 3f5b n HIS 30 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 3f5b s GLN 31 N -1.24 4.60 0.29 -0.41 -0.21 -0.99 -4.87 119.66 116.83 3f5b s GLN 31 Ca 0.29 1.48 0.03 0.00 0.02 0.00 0.00 55.36 57.18 3f5b s GLN 31 Cb 0.17 -2.96 0.61 0.00 1.00 0.00 0.00 33.01 31.83 3f5b s GLN 31 CO 0.17 0.27 1.81 -1.35 -2.12 0.00 0.00 175.29 174.07 3f5b h PRO 32 N 3.44 0.88 0.00 2.91 0.11 -1.95 0.26 132.00 137.65 3f5b h PRO 32 Ca -0.46 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.55 3f5b h PRO 32 Cb 1.20 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 3f5b h PRO 32 CO 0.66 0.58 -0.18 1.12 -0.21 0.00 0.00 178.00 179.97 3f5b h HIS 33 N 0.90 0.00 0.16 0.65 2.07 -1.95 -0.60 115.15 116.38 3f5b h HIS 33 Ca 0.52 0.00 -0.28 0.00 -2.85 0.00 0.00 60.37 57.76 3f5b h HIS 33 Cb 0.63 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.62 3f5b h HIS 33 CO -0.01 0.18 -1.37 0.82 -3.07 0.00 0.00 177.93 174.48 3f5b h ILE 34 N 0.00 1.14 0.00 6.12 1.08 -1.42 -3.33 117.51 121.10 3f5b h ILE 34 Ca -0.00 -2.49 0.00 0.00 -0.39 0.00 0.00 64.86 61.98 3f5b h ILE 34 Cb 0.42 2.87 0.00 0.00 -3.07 0.00 0.00 36.82 37.04 3f5b h ILE 34 CO 0.02 0.75 0.00 0.59 -0.69 0.00 0.00 178.15 178.83 3f5b n ASN 35 N -3.87 0.13 0.07 1.72 5.03 0.77 -0.62 115.26 118.50 3f5b n ASN 35 Ca -0.22 0.54 0.12 0.00 0.87 0.00 0.00 54.58 55.90 3f5b n ASN 35 Cb 0.95 -0.57 0.60 0.00 -1.02 0.00 0.00 39.78 39.74 3f5b n ASN 35 CO 0.00 0.00 0.00 -0.08 -1.83 0.00 0.00 177.26 175.35 3f5b h GLU 36 N 0.00 0.15 0.00 3.52 4.81 -1.24 -3.32 114.58 118.50 3f5b h GLU 36 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3f5b h GLU 36 Cb 0.18 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.52 3f5b h GLU 36 CO 0.00 0.10 -0.82 0.91 -0.73 0.00 0.00 179.01 178.47 3f5b n TRP 37 N -4.47 0.00 -3.97 0.92 7.02 -0.52 -4.96 117.44 111.47 3f5b n TRP 37 Ca 0.04 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.18 3f5b n TRP 37 Cb 0.31 0.00 -0.14 0.00 -2.42 0.00 0.00 31.31 29.06 3f5b n TRP 37 CO 0.00 0.00 0.00 -1.17 -2.02 0.00 0.00 177.69 174.50 3f5b s LEU 38 N -2.91 3.42 0.19 -0.99 2.96 0.21 -5.02 118.68 116.54 3f5b s LEU 38 Ca 0.00 -1.08 -0.23 0.00 -0.22 0.00 0.00 54.13 52.60 3f5b s LEU 38 Cb 0.00 -1.65 0.06 0.00 0.50 0.00 0.00 46.19 45.09 3f5b s LEU 38 CO 0.00 -0.18 0.93 -1.38 -1.32 0.00 0.00 176.35 174.41 3f5b s HIS 39 N 1.26 -0.08 0.00 5.38 -3.43 -1.26 -4.04 115.29 113.12 3f5b s HIS 39 Ca -0.03 -0.29 0.00 0.00 -0.80 0.00 0.00 55.06 53.94 3f5b s HIS 39 Cb -0.18 0.67 0.00 0.00 -1.43 0.00 0.00 32.58 31.64 3f5b s HIS 39 CO -0.04 -0.95 0.00 0.41 -2.00 0.00 0.00 174.74 172.16 3f5b n GLY 40 N -0.51 2.87 0.37 -1.38 0.00 -1.26 -2.35 105.19 102.92 3f5b n GLY 40 Ca -0.05 -0.26 -0.02 0.00 0.00 0.00 0.00 46.02 45.68 3f5b n GLY 40 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3f5b h ASP 41 N 5.41 1.10 -0.42 1.61 3.32 -1.99 -0.88 116.42 124.57 3f5b h ASP 41 Ca 0.00 -0.03 0.08 0.00 0.02 0.00 0.00 57.03 57.10 3f5b h ASP 41 Cb 0.00 -0.27 -0.07 0.00 0.22 0.00 0.00 39.33 39.21 3f5b h ASP 41 CO 0.00 0.79 -0.01 1.23 -1.72 0.00 0.00 179.24 179.53 3f5b h GLY 42 N 1.30 0.41 0.69 2.75 0.00 -1.66 0.26 103.07 106.83 3f5b h GLY 42 Ca 0.36 0.06 -0.01 0.00 0.00 0.00 0.00 47.33 47.74 3f5b h GLY 42 CO -0.08 -0.11 -0.01 -2.00 0.00 0.00 0.00 176.54 174.33 3f5b h LEU 43 N 0.10 0.11 -0.23 3.11 5.85 -1.07 -1.86 115.31 121.32 3f5b h LEU 43 Ca 0.21 -0.36 0.06 0.00 0.84 0.00 0.00 57.88 58.63 3f5b h LEU 43 Cb 0.30 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.24 3f5b h LEU 43 CO -0.36 0.44 -0.16 -1.28 -0.34 0.00 0.00 178.44 176.74 3f5b h SER 44 N -0.22 -0.53 -0.79 1.25 0.87 -1.01 -0.45 113.55 112.67 3f5b h SER 44 Ca 0.02 0.11 0.06 0.00 -1.23 0.00 0.00 61.79 60.75 3f5b h SER 44 Cb 0.39 0.27 -0.06 0.00 -0.44 0.00 0.00 62.40 62.56 3f5b h SER 44 CO 0.01 -0.20 0.47 0.78 -0.53 0.00 0.00 176.83 177.35 3f5b h ASN 45 N -0.16 0.73 -0.13 6.23 2.35 -0.46 -1.73 115.58 122.42 3f5b h ASN 45 Ca 0.13 0.02 0.02 0.00 -0.55 0.00 0.00 56.30 55.92 3f5b h ASN 45 Cb 0.35 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.58 3f5b h ASN 45 CO -0.32 0.46 0.03 0.74 -1.65 0.00 0.00 177.43 176.69 3f5b h THR 46 N 0.86 0.95 -0.23 2.81 2.02 -0.78 -0.72 112.91 117.82 3f5b h THR 46 Ca 0.35 -0.03 -0.00 0.00 0.77 0.00 0.00 66.41 67.50 3f5b h THR 46 Cb 0.19 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 3f5b h THR 46 CO -0.18 0.01 0.13 0.40 0.37 0.00 0.00 175.52 176.26 3f5b h ILE 47 N 0.08 1.10 -0.26 3.11 2.04 -0.85 -0.86 117.51 121.87 3f5b h ILE 47 Ca 0.06 -0.26 0.05 0.00 1.00 0.00 0.00 64.86 65.71 3f5b h ILE 47 Cb 0.05 0.86 -0.04 0.00 -0.74 0.00 0.00 36.82 36.95 3f5b h ILE 47 CO -0.07 0.10 -0.01 0.50 0.00 0.00 0.00 178.15 178.66 3f5b h LYS 48 N 0.27 0.06 -0.16 2.37 3.64 -1.24 -2.30 116.57 119.20 3f5b h LYS 48 Ca 0.08 -0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.32 3f5b h LYS 48 Cb 0.04 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 3f5b h LYS 48 CO -0.01 0.04 -0.48 0.22 -2.27 0.00 0.00 179.45 176.94 3f5b h ASP 49 N 0.06 0.46 -0.60 4.20 3.58 -0.82 -1.59 116.42 121.72 3f5b h ASP 49 Ca 0.12 -0.22 -0.05 0.00 0.42 0.00 0.00 57.03 57.30 3f5b h ASP 49 Cb 0.16 -0.13 -0.03 0.00 1.72 0.00 0.00 39.33 41.06 3f5b h ASP 49 CO -0.22 0.87 0.20 0.25 -2.88 0.00 0.00 179.24 177.46 3f5b h LEU 50 N 0.34 0.87 -0.48 2.28 5.85 -1.03 -0.62 115.31 122.52 3f5b h LEU 50 Ca 0.02 -0.20 0.01 0.00 0.84 0.00 0.00 57.88 58.55 3f5b h LEU 50 Cb 0.97 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.75 3f5b h LEU 50 CO 0.08 0.84 0.31 -0.74 -0.34 0.00 0.00 178.44 178.59 3f5b h HIS 51 N 0.85 0.58 -0.34 1.25 2.76 -1.04 -1.09 115.15 118.12 3f5b h HIS 51 Ca 0.20 0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.38 3f5b h HIS 51 Cb 0.27 -0.20 -0.02 0.00 1.55 0.00 0.00 27.41 29.02 3f5b h HIS 51 CO 0.02 0.36 0.21 0.93 -1.30 0.00 0.00 177.93 178.15 3f5b h GLU 52 N 0.63 0.45 -0.58 5.26 4.39 -0.87 -0.16 114.58 123.69 3f5b h GLU 52 Ca 0.18 -0.04 0.07 0.00 0.34 0.00 0.00 59.36 59.91 3f5b h GLU 52 Cb -0.05 -0.10 -0.06 0.00 -0.10 0.00 0.00 28.75 28.44 3f5b h GLU 52 CO -0.05 0.33 0.28 0.35 -1.16 0.00 0.00 179.01 178.76 3f5b h PHE 53 N 0.44 0.50 0.00 4.33 3.57 -1.00 0.30 116.94 125.08 3f5b h PHE 53 Ca 0.12 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.57 3f5b h PHE 53 Cb -0.01 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.58 3f5b h PHE 53 CO -0.04 0.21 -0.38 -0.07 -2.23 0.00 0.00 178.31 175.80 3f5b h LEU 54 N 0.52 0.00 -3.45 0.59 3.38 -0.92 -3.35 115.31 112.09 3f5b h LEU 54 Ca 0.27 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 58.03 3f5b h LEU 54 Cb 0.23 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.86 3f5b h LEU 54 CO -0.21 0.38 0.05 0.59 0.09 0.00 0.00 178.44 179.33 3f5b n ASN 55 N -3.21 2.90 -3.77 -0.43 3.02 -0.10 -4.82 115.26 108.85 3f5b n ASN 55 Ca 0.02 -3.64 -0.25 0.00 -0.03 0.00 0.00 54.58 50.68 3f5b n ASN 55 Cb 0.67 -0.66 0.03 0.00 -0.61 0.00 0.00 39.78 39.22 3f5b n ASN 55 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3f5b n ASP 56 N -1.02 -2.86 0.00 6.41 2.03 -1.15 -4.99 116.55 114.96 3f5b n ASP 56 Ca 0.36 -0.78 0.00 0.00 0.52 0.00 0.00 54.79 54.89 3f5b n ASP 56 Cb 1.12 -4.07 0.00 0.00 -0.72 0.00 0.00 41.12 37.45 3f5b n ASP 56 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3f5b n GLY 57 N -1.64 1.43 2.36 0.27 0.00 0.10 -5.04 105.19 102.68 3f5b n GLY 57 Ca -0.15 -1.32 -0.26 0.00 0.00 0.00 0.00 46.02 44.29 3f5b n GLY 57 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3f5b n LYS 58 N 0.00 1.90 -2.12 1.61 5.02 -1.26 -4.93 118.16 118.38 3f5b n LYS 58 Ca 0.00 -4.15 -0.35 0.00 -2.02 0.00 0.00 58.31 51.79 3f5b n LYS 58 Cb 0.00 -1.88 0.02 0.00 -0.02 0.00 0.00 35.03 33.15 3f5b n LYS 58 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3f5b s PRO 59 N -2.08 3.15 0.16 1.97 0.04 -1.26 -4.94 135.00 132.04 3f5b s PRO 59 Ca 0.39 1.67 0.14 0.00 0.04 0.00 0.00 61.00 63.23 3f5b s PRO 59 Cb 0.17 -1.97 -0.07 0.00 0.04 0.00 0.00 34.50 32.67 3f5b s PRO 59 CO -0.05 -1.02 1.15 -1.49 0.04 0.00 0.00 177.00 175.62 3f5b h TRP 60 N 0.96 0.00 -3.30 0.56 6.55 -1.99 -3.49 115.95 115.24 3f5b h TRP 60 Ca -0.50 0.00 -0.41 0.00 0.95 0.00 0.00 58.89 58.93 3f5b h TRP 60 Cb 1.27 0.00 -0.14 0.00 -0.86 0.00 0.00 29.16 29.43 3f5b h TRP 60 CO 0.50 0.65 -0.61 0.00 -1.05 0.00 0.00 178.44 177.92 3f5b s ALA 61 N -2.88 2.03 -0.08 1.49 0.00 -1.26 -4.83 121.76 116.22 3f5b s ALA 61 Ca 0.01 -1.95 -0.10 0.00 0.00 0.00 0.00 51.96 49.91 3f5b s ALA 61 Cb 0.08 0.83 -0.05 0.00 0.00 0.00 0.00 23.12 23.98 3f5b s ALA 61 CO 0.79 -0.37 0.23 0.99 0.00 0.00 0.00 175.76 177.40 3f5b s THR 62 N -3.52 5.34 -0.12 0.00 2.01 0.56 -4.91 115.64 115.01 3f5b s THR 62 Ca 0.37 0.43 0.01 0.00 0.31 0.00 0.00 61.69 62.81 3f5b s THR 62 Cb 0.08 -3.51 -0.01 0.00 0.01 0.00 0.00 72.50 69.07 3f5b s THR 62 CO 0.14 0.59 -0.17 -1.00 -0.69 0.00 0.00 174.62 173.49 3f5b s HIS 63 N -0.96 2.72 0.19 4.92 3.76 -1.26 -1.22 115.29 123.44 3f5b s HIS 63 Ca 0.18 -0.86 0.07 0.00 -0.15 0.00 0.00 55.06 54.30 3f5b s HIS 63 Cb -0.14 -1.80 -0.05 0.00 1.11 0.00 0.00 32.58 31.70 3f5b s HIS 63 CO 0.07 -0.33 -0.14 -1.58 -0.85 0.00 0.00 174.74 171.91 3f5b s TRP 64 N 0.43 1.65 -0.02 1.40 0.52 0.10 -4.42 118.94 118.61 3f5b s TRP 64 Ca -0.13 -0.59 0.03 0.00 0.02 0.00 0.00 56.10 55.44 3f5b s TRP 64 Cb -0.17 -0.78 -0.00 0.00 -1.15 0.00 0.00 33.47 31.37 3f5b s TRP 64 CO 0.06 0.32 -0.11 -1.50 0.02 0.00 0.00 176.95 175.73 3f5b s ILE 65 N -2.95 0.93 -0.11 2.03 2.07 -0.30 -1.69 121.20 121.19 3f5b s ILE 65 Ca 0.21 -0.48 -0.05 0.00 -1.41 0.00 0.00 60.65 58.93 3f5b s ILE 65 Cb -0.01 -0.79 -0.04 0.00 0.13 0.00 0.00 42.46 41.75 3f5b s ILE 65 CO 0.06 0.27 0.06 0.00 -1.91 0.00 0.00 174.94 173.42 3f5b s ALA 66 N -0.09 3.53 0.04 1.50 0.00 -0.64 -1.88 121.76 124.21 3f5b s ALA 66 Ca 0.01 -0.73 0.09 0.00 0.00 0.00 0.00 51.96 51.33 3f5b s ALA 66 Cb -0.06 -1.72 -0.03 0.00 0.00 0.00 0.00 23.12 21.30 3f5b s ALA 66 CO 0.00 0.54 -0.26 0.71 0.00 0.00 0.00 175.76 176.76 3f5b s TYR 67 N -0.76 2.34 -0.43 0.00 1.51 0.14 -1.42 117.35 118.72 3f5b s TYR 67 Ca 0.12 -0.40 -0.03 0.00 -1.01 0.00 0.00 57.07 55.76 3f5b s TYR 67 Cb -0.12 -1.41 0.12 0.00 -0.11 0.00 0.00 41.96 40.44 3f5b s TYR 67 CO 0.03 0.12 0.22 0.34 -1.11 0.00 0.00 175.55 175.16 3f5b s ASP 68 N -1.21 5.24 1.31 2.29 2.15 0.92 -1.37 116.67 126.01 3f5b s ASP 68 Ca 0.12 -2.12 0.00 0.00 0.43 0.00 0.00 52.55 50.98 3f5b s ASP 68 Cb -0.10 -1.83 0.00 0.00 -0.30 0.00 0.00 42.92 40.69 3f5b s ASP 68 CO 0.02 -0.52 0.00 0.59 -0.17 0.00 0.00 175.17 175.09 3f5b n ASN 69 N 4.47 0.00 0.00 -0.34 3.02 -1.26 -0.74 115.26 120.41 3f5b n ASN 69 Ca -0.01 0.00 0.15 0.00 -0.03 0.00 0.00 54.58 54.69 3f5b n ASN 69 Cb 0.41 0.00 0.80 0.00 -0.61 0.00 0.00 39.78 40.37 3f5b n ASN 69 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 3f5b n GLU 70 N 14.00 0.57 -3.44 3.52 -0.00 -1.26 -4.81 120.64 129.22 3f5b n GLU 70 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 57.16 56.73 3f5b n GLU 70 Cb 0.00 -1.50 -0.10 0.00 -0.00 0.00 0.00 31.44 29.84 3f5b n GLU 70 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 3f5b s ILE 71 N -2.42 5.25 0.30 3.84 -1.09 0.08 -5.06 121.20 122.10 3f5b s ILE 71 Ca 0.33 -0.70 -0.29 0.00 -2.23 0.00 0.00 60.65 57.76 3f5b s ILE 71 Cb 0.20 -3.96 -0.10 0.00 -1.58 0.00 0.00 42.46 37.02 3f5b s ILE 71 CO 0.43 -0.35 1.12 -2.16 -1.23 0.00 0.00 174.94 172.74 3f5b s PRO 72 N 1.70 4.53 0.00 2.79 0.04 -1.26 -0.05 135.00 142.74 3f5b s PRO 72 Ca 0.05 1.83 0.00 0.00 0.04 0.00 0.00 61.00 62.92 3f5b s PRO 72 Cb -0.20 -3.09 0.00 0.00 0.04 0.00 0.00 34.50 31.26 3f5b s PRO 72 CO 0.10 0.11 0.00 1.97 0.04 0.00 0.00 177.00 179.21 3f5b n PHE 73 N 0.97 0.00 -3.97 0.56 1.16 -0.51 -4.92 117.46 110.74 3f5b n PHE 73 Ca -0.00 0.00 -0.08 0.00 -1.87 0.00 0.00 57.45 55.50 3f5b n PHE 73 Cb 0.45 0.00 -0.09 0.00 -1.61 0.00 0.00 39.48 38.23 3f5b n PHE 73 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3f5b s ALA 74 N 0.00 0.14 -0.06 1.98 0.00 -1.22 -1.25 121.76 121.35 3f5b s ALA 74 Ca 0.00 -0.91 0.02 0.00 0.00 0.00 0.00 51.96 51.06 3f5b s ALA 74 Cb 0.00 0.40 0.02 0.00 0.00 0.00 0.00 23.12 23.53 3f5b s ALA 74 CO 0.00 -0.45 -0.10 -0.47 0.00 0.00 0.00 175.76 174.75 3f5b s TYR 75 N -3.89 1.23 0.07 0.00 5.04 0.04 -1.63 117.35 118.20 3f5b s TYR 75 Ca 0.06 -0.44 0.05 0.00 -2.44 0.00 0.00 57.07 54.31 3f5b s TYR 75 Cb 0.06 -0.94 -0.03 0.00 0.35 0.00 0.00 41.96 41.40 3f5b s TYR 75 CO -0.10 -0.25 -0.14 -0.51 -1.34 0.00 0.00 175.55 173.20 3f5b s LEU 76 N 0.77 2.26 -0.06 6.97 1.02 -0.68 -0.38 118.68 128.58 3f5b s LEU 76 Ca -0.13 -0.59 -0.00 0.00 0.02 0.00 0.00 54.13 53.42 3f5b s LEU 76 Cb -0.15 -0.52 0.03 0.00 0.02 0.00 0.00 46.19 45.56 3f5b s LEU 76 CO 0.02 -0.06 -0.02 -0.63 0.02 0.00 0.00 176.35 175.68 3f5b s ILE 77 N -1.22 0.48 0.08 -0.59 1.01 0.70 0.02 121.20 121.68 3f5b s ILE 77 Ca -0.02 0.00 0.08 0.00 0.00 0.00 0.00 60.65 60.72 3f5b s ILE 77 Cb -0.10 -0.58 -0.03 0.00 0.01 0.00 0.00 42.46 41.76 3f5b s ILE 77 CO 0.02 0.25 -0.21 0.42 0.00 0.00 0.00 174.94 175.42 3f5b s THR 78 N 1.56 1.73 -0.00 2.92 -4.23 -0.36 -0.17 115.64 117.09 3f5b s THR 78 Ca -0.01 -1.40 -0.07 0.00 -1.18 0.00 0.00 61.69 59.02 3f5b s THR 78 Cb -0.13 -1.54 0.00 0.00 1.34 0.00 0.00 72.50 72.17 3f5b s THR 78 CO -0.04 0.07 0.15 -0.94 -0.54 0.00 0.00 174.62 173.32 3f5b s SER 79 N -1.58 0.00 0.16 3.99 1.04 -0.57 -0.32 113.70 116.42 3f5b s SER 79 Ca 0.07 -0.16 -0.05 0.00 0.48 0.00 0.00 55.95 56.30 3f5b s SER 79 Cb -0.09 0.22 -0.06 0.00 0.10 0.00 0.00 66.02 66.19 3f5b s SER 79 CO 0.03 -0.35 0.40 -1.83 0.98 0.00 0.00 173.24 172.47 3f5b s GLU 80 N -1.27 3.63 -0.11 4.02 -1.05 -1.26 -0.47 118.70 122.19 3f5b s GLU 80 Ca -0.14 -0.06 0.02 0.00 -0.15 0.00 0.00 54.97 54.64 3f5b s GLU 80 Cb -0.07 -2.82 -0.01 0.00 -0.44 0.00 0.00 34.13 30.79 3f5b s GLU 80 CO 0.02 0.44 -0.17 0.42 0.95 0.00 0.00 175.26 176.92 3f5b s ILE 81 N -1.69 2.72 0.55 1.83 1.01 0.15 -4.94 121.20 120.83 3f5b s ILE 81 Ca 0.42 -0.79 -0.19 0.00 0.00 0.00 0.00 60.65 60.08 3f5b s ILE 81 Cb -0.12 -2.10 -0.05 0.00 0.01 0.00 0.00 42.46 40.20 3f5b s ILE 81 CO 0.25 0.54 1.13 -1.83 0.00 0.00 0.00 174.94 175.03 3f5b s GLU 82 N 0.17 3.29 0.18 2.79 1.03 -1.26 -2.47 118.70 122.43 3f5b s GLU 82 Ca -0.10 1.61 -0.32 0.00 0.03 0.00 0.00 54.97 56.19 3f5b s GLU 82 Cb -0.16 -2.00 -0.16 0.00 -0.80 0.00 0.00 34.13 31.02 3f5b s GLU 82 CO 0.06 -0.90 1.11 1.63 -1.33 0.00 0.00 175.26 175.83 3f5b n LYS 83 N -1.40 1.11 0.00 -4.83 5.02 -1.26 -4.45 118.16 112.34 3f5b n LYS 83 Ca 0.12 0.39 0.00 0.00 -2.02 0.00 0.00 58.31 56.80 3f5b n LYS 83 Cb 0.51 -1.85 0.00 0.00 -0.02 0.00 0.00 35.03 33.67 3f5b n LYS 83 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3f5b n SER 84 N 1.91 0.00 0.00 4.39 3.41 0.15 -4.89 113.62 118.59 3f5b n SER 84 Ca 0.15 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.76 3f5b n SER 84 Cb 0.25 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.20 3f5b n SER 84 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3f5b n GLU 85 N 0.00 0.00 0.00 4.33 4.71 -1.26 -2.20 120.64 126.22 3f5b n GLU 85 Ca 0.00 0.00 0.14 0.00 -0.01 0.00 0.00 57.16 57.29 3f5b n GLU 85 Cb 0.00 0.00 0.62 0.00 -1.01 0.00 0.00 31.44 31.05 3f5b n GLU 85 CO 0.00 0.00 0.00 -0.85 0.09 0.00 0.00 177.13 176.37 3f5b n GLU 86 N 0.00 0.47 -3.87 3.49 0.28 -1.26 -4.40 120.64 115.35 3f5b n GLU 86 Ca 0.00 -0.12 -0.30 0.00 -0.16 0.00 0.00 57.16 56.58 3f5b n GLU 86 Cb 0.00 -1.50 -0.12 0.00 1.43 0.00 0.00 31.44 31.26 3f5b n GLU 86 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 3f5b s TYR 87 N -2.61 3.52 -0.24 -1.84 2.02 -0.94 -4.91 117.35 112.34 3f5b s TYR 87 Ca 0.25 -3.24 0.25 0.00 -0.37 0.00 0.00 57.07 53.97 3f5b s TYR 87 Cb 0.20 -2.83 0.62 0.00 -0.40 0.00 0.00 41.96 39.55 3f5b s TYR 87 CO 0.50 -0.63 1.70 -1.00 -1.57 0.00 0.00 175.55 174.55 3f5b h PRO 88 N 5.81 0.00 -0.31 -1.71 0.13 -1.65 0.44 132.00 134.71 3f5b h PRO 88 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 3f5b h PRO 88 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 3f5b h PRO 88 CO 0.73 0.06 0.00 -0.25 -0.23 0.00 0.00 178.00 178.31 3f5b n ASP 89 N -3.13 3.12 0.00 1.44 8.00 -1.26 -4.21 116.55 120.50 3f5b n ASP 89 Ca 0.03 -1.90 0.00 0.00 0.71 0.00 0.00 54.79 53.62 3f5b n ASP 89 Cb 0.49 -0.20 0.00 0.00 -0.02 0.00 0.00 41.12 41.38 3f5b n ASP 89 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3f5b n GLY 90 N 1.18 -1.67 3.59 0.44 0.00 -0.75 -4.70 105.19 103.28 3f5b n GLY 90 Ca 0.16 -1.46 -0.06 0.00 0.00 0.00 0.00 46.02 44.65 3f5b n GLY 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f5b s ALA 91 N -1.18 -2.01 -0.11 4.61 0.00 -1.03 -4.56 121.76 117.48 3f5b s ALA 91 Ca 0.00 1.61 -0.01 0.00 0.00 0.00 0.00 51.96 53.56 3f5b s ALA 91 Cb 0.00 -0.64 -0.03 0.00 0.00 0.00 0.00 23.12 22.46 3f5b s ALA 91 CO 0.00 -0.41 -0.06 0.54 0.00 0.00 0.00 175.76 175.83 3f5b s VAL 92 N -1.66 3.70 -0.17 0.00 0.11 -0.62 0.31 120.40 122.07 3f5b s VAL 92 Ca 0.05 -0.45 -0.08 0.00 -2.93 0.00 0.00 61.98 58.57 3f5b s VAL 92 Cb -0.01 -2.56 -0.04 0.00 -1.53 0.00 0.00 36.38 32.24 3f5b s VAL 92 CO -0.04 0.55 0.10 -0.89 -3.33 0.00 0.00 175.10 171.49 3f5b s THR 93 N -0.22 5.13 -0.08 5.04 2.01 0.38 -0.07 115.64 127.83 3f5b s THR 93 Ca 0.03 0.09 0.02 0.00 0.31 0.00 0.00 61.69 62.14 3f5b s THR 93 Cb -0.13 -3.30 -0.02 0.00 0.01 0.00 0.00 72.50 69.06 3f5b s THR 93 CO 0.03 0.49 -0.15 -0.22 -0.69 0.00 0.00 174.62 174.08 3f5b s LEU 94 N 0.04 2.66 -0.03 4.42 2.96 0.51 -1.52 118.68 127.71 3f5b s LEU 94 Ca 0.08 -0.28 0.06 0.00 -0.22 0.00 0.00 54.13 53.77 3f5b s LEU 94 Cb -0.12 -1.56 -0.01 0.00 0.50 0.00 0.00 46.19 45.00 3f5b s LEU 94 CO 0.00 0.27 -0.22 -1.81 -1.32 0.00 0.00 176.35 173.27 3f5b s ASP 95 N -0.25 2.63 0.02 3.68 1.01 0.76 -4.43 116.67 120.08 3f5b s ASP 95 Ca 0.01 -0.42 -0.03 0.00 0.71 0.00 0.00 52.55 52.83 3f5b s ASP 95 Cb -0.13 -0.48 -0.02 0.00 1.01 0.00 0.00 42.92 43.31 3f5b s ASP 95 CO 0.03 0.24 0.03 -1.48 0.21 0.00 0.00 175.17 174.20 3f5b s LEU 96 N -0.33 2.05 -0.15 1.23 0.05 -1.26 -0.22 118.68 120.05 3f5b s LEU 96 Ca 0.03 -0.49 -0.05 0.00 0.05 0.00 0.00 54.13 53.68 3f5b s LEU 96 Cb -0.10 0.31 0.06 0.00 -2.05 0.00 0.00 46.19 44.40 3f5b s LEU 96 CO 0.01 -0.38 0.08 -0.36 -0.55 0.00 0.00 176.35 175.16 3f5b s PHE 97 N -1.85 0.20 -0.47 3.48 0.08 0.49 -5.01 117.98 114.91 3f5b s PHE 97 Ca -0.12 -0.25 -0.25 0.00 0.12 0.00 0.00 56.93 56.44 3f5b s PHE 97 Cb -0.06 -0.67 0.03 0.00 -0.57 0.00 0.00 43.02 41.74 3f5b s PHE 97 CO -0.02 -0.47 0.90 0.42 -0.10 0.00 0.00 175.22 175.96 3f5b s ILE 98 N 2.14 4.50 -0.63 0.64 -1.09 -1.26 -0.78 121.20 124.70 3f5b s ILE 98 Ca 0.02 0.65 0.22 0.00 -2.23 0.00 0.00 60.65 59.31 3f5b s ILE 98 Cb -0.15 -4.42 -0.24 0.00 -1.58 0.00 0.00 42.46 36.06 3f5b s ILE 98 CO -0.08 -0.84 0.79 0.00 -1.23 0.00 0.00 174.94 173.58 3f5b s ARG 100 N -3.20 4.12 0.53 0.00 0.52 -1.09 -4.99 118.95 114.84 3f5b s ARG 100 Ca 0.02 -0.25 0.20 0.00 -0.52 0.00 0.00 55.73 55.18 3f5b s ARG 100 Cb 0.15 -3.49 1.39 0.00 0.52 0.00 0.00 34.95 33.53 3f5b s ARG 100 CO 0.87 0.16 2.16 -0.07 0.02 0.00 0.00 175.30 178.44 3f5b h LEU 101 N 7.17 0.00 0.00 2.53 3.38 -1.94 -0.76 115.31 125.69 3f5b h LEU 101 Ca -0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.58 3f5b h LEU 101 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 3f5b h LEU 101 CO 0.70 0.02 0.00 -0.90 0.09 0.00 0.00 178.44 178.35 3f5b n ASP 102 N -4.31 0.00 -0.37 -0.43 5.75 -1.26 -3.11 116.55 112.81 3f5b n ASP 102 Ca -0.03 -1.14 0.04 0.00 -0.01 0.00 0.00 54.79 53.65 3f5b n ASP 102 Cb 0.11 0.00 0.10 0.00 -1.03 0.00 0.00 41.12 40.30 3f5b n ASP 102 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 3f5b n TYR 103 N -0.87 0.29 1.62 2.11 4.02 -0.29 -4.76 117.16 119.28 3f5b n TYR 103 Ca 0.16 -0.56 0.15 0.00 -0.01 0.00 0.00 57.90 57.64 3f5b n TYR 103 Cb 0.07 -0.07 0.66 0.00 -0.02 0.00 0.00 39.34 39.99 3f5b n TYR 103 CO 0.00 0.00 0.00 1.51 -1.01 0.00 0.00 176.86 177.36 3f5b n ILE 104 N -0.09 0.00 -1.61 -0.72 0.13 -1.18 -4.60 119.36 111.29 3f5b n ILE 104 Ca 0.08 -0.14 -0.43 0.00 -1.10 0.00 0.00 62.75 61.16 3f5b n ILE 104 Cb 0.41 0.10 -0.01 0.00 -0.84 0.00 0.00 39.64 39.30 3f5b n ILE 104 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 3f5b n GLY 105 N 1.15 -0.10 0.18 4.50 0.00 -1.26 -4.77 105.19 104.88 3f5b n GLY 105 Ca 0.19 0.28 -0.10 0.00 0.00 0.00 0.00 46.02 46.39 3f5b n GLY 105 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3f5b h LYS 106 N 1.99 0.55 -0.68 1.61 1.57 -1.99 0.05 116.57 119.67 3f5b h LYS 106 Ca -0.42 -0.14 -0.07 0.00 -1.87 0.00 0.00 60.65 58.16 3f5b h LYS 106 Cb 1.33 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 33.54 3f5b h LYS 106 CO 0.60 0.61 0.17 0.78 -0.57 0.00 0.00 179.45 181.04 3f5b h GLY 107 N 0.40 1.17 1.01 3.86 0.00 -1.99 -1.40 103.07 106.12 3f5b h GLY 107 Ca 0.11 -0.73 -0.01 0.00 0.00 0.00 0.00 47.33 46.70 3f5b h GLY 107 CO 0.00 0.68 0.43 -2.00 0.00 0.00 0.00 176.54 175.65 3f5b h LEU 108 N 1.02 0.92 -0.75 3.11 6.46 -1.87 -1.66 115.31 122.54 3f5b h LEU 108 Ca 0.21 -0.08 -0.06 0.00 -0.12 0.00 0.00 57.88 57.84 3f5b h LEU 108 Cb 0.36 -0.23 -0.03 0.00 -0.73 0.00 0.00 40.66 40.03 3f5b h LEU 108 CO 0.00 0.73 0.24 0.28 -0.62 0.00 0.00 178.44 179.07 3f5b h SER 109 N 1.03 1.08 -0.45 1.25 0.02 -0.48 -2.79 113.55 113.22 3f5b h SER 109 Ca 0.27 -0.21 -0.04 0.00 -0.84 0.00 0.00 61.79 60.97 3f5b h SER 109 Cb -0.00 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.24 3f5b h SER 109 CO -0.05 1.00 0.13 0.58 -1.14 0.00 0.00 176.83 177.36 3f5b h VAL 110 N 1.11 1.23 0.00 2.27 2.07 -1.13 -0.00 116.25 121.79 3f5b h VAL 110 Ca 0.24 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 67.00 3f5b h VAL 110 Cb 0.30 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 3f5b h VAL 110 CO -0.01 0.27 0.00 1.67 0.02 0.00 0.00 177.57 179.53 3f5b n GLN 111 N -4.53 0.16 0.00 1.57 7.27 -0.64 -1.00 117.38 120.21 3f5b n GLN 111 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.08 3f5b n GLN 111 Cb 0.20 -1.28 0.00 0.00 2.41 0.00 0.00 30.24 31.57 3f5b n GLN 111 CO 0.00 0.00 0.00 -0.89 0.07 0.00 0.00 177.06 176.24 3f5b n ILE 113 N 0.71 0.00 -0.18 1.69 5.41 -0.02 -0.76 119.36 126.22 3f5b n ILE 113 Ca 0.00 0.00 -0.08 0.00 1.00 0.00 0.00 62.75 63.67 3f5b n ILE 113 Cb 0.06 0.00 0.01 0.00 -0.71 0.00 0.00 39.64 39.01 3f5b n ILE 113 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 176.55 177.00 3f5b h HIS 114 N 0.00 0.72 -0.40 1.39 3.86 -1.33 -1.64 115.15 117.75 3f5b h HIS 114 Ca 0.00 -0.03 -0.08 0.00 -1.16 0.00 0.00 60.37 59.10 3f5b h HIS 114 Cb 0.00 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 28.23 3f5b h HIS 114 CO 0.00 0.56 -0.07 0.93 0.86 0.00 0.00 177.93 180.21 3f5b h GLU 115 N 0.67 0.69 -0.05 2.45 5.08 -1.19 -1.27 114.58 120.96 3f5b h GLU 115 Ca 0.18 -0.20 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3f5b h GLU 115 Cb 0.10 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 3f5b h GLU 115 CO -0.02 0.76 0.02 0.35 -1.00 0.00 0.00 179.01 179.12 3f5b h PHE 116 N 0.64 0.08 -0.26 4.33 3.57 -1.72 0.24 116.94 123.82 3f5b h PHE 116 Ca 0.12 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.61 3f5b h PHE 116 Cb 0.51 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.21 3f5b h PHE 116 CO 0.02 0.22 0.17 0.82 -2.23 0.00 0.00 178.31 177.31 3f5b h ILE 117 N -0.08 1.08 -0.10 1.41 2.04 -1.19 0.02 117.51 120.69 3f5b h ILE 117 Ca 0.02 -0.16 -0.09 0.00 1.00 0.00 0.00 64.86 65.63 3f5b h ILE 117 Cb 0.17 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 3f5b h ILE 117 CO -0.00 0.07 -0.36 -0.07 0.00 0.00 0.00 178.15 177.79 3f5b h LEU 118 N 0.34 0.21 -0.02 1.44 3.38 -1.22 0.28 115.31 119.72 3f5b h LEU 118 Ca 0.09 -0.08 -0.24 0.00 0.09 0.00 0.00 57.88 57.75 3f5b h LEU 118 Cb -0.02 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3f5b h LEU 118 CO -0.02 0.57 -1.08 0.28 0.09 0.00 0.00 178.44 178.28 3f5b h SER 119 N 0.18 0.30 0.00 -0.43 0.02 -0.70 -3.35 113.55 109.57 3f5b h SER 119 Ca 0.02 -0.29 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 3f5b h SER 119 Cb 0.73 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.17 3f5b h SER 119 CO 0.06 1.18 -0.69 0.00 -1.14 0.00 0.00 176.83 176.23 3f5b n GLN 120 N -3.54 2.68 -1.76 3.45 1.13 -0.03 -4.80 117.38 114.51 3f5b n GLN 120 Ca -0.05 -0.01 0.03 0.00 -1.94 0.00 0.00 57.00 55.02 3f5b n GLN 120 Cb 0.94 -0.88 0.02 0.00 0.11 0.00 0.00 30.24 30.44 3f5b n GLN 120 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 3f5b n PHE 121 N -1.37 0.22 0.29 1.08 3.72 0.94 -4.87 117.46 117.48 3f5b n PHE 121 Ca -0.00 -0.84 0.15 0.00 -0.05 0.00 0.00 57.45 56.70 3f5b n PHE 121 Cb 0.06 -0.11 0.89 0.00 -0.94 0.00 0.00 39.48 39.38 3f5b n PHE 121 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3f5b h SER 122 N 1.27 0.00 0.48 4.37 4.64 -1.56 -0.69 113.55 122.06 3f5b h SER 122 Ca -0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 3f5b h SER 122 Cb 1.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.83 3f5b h SER 122 CO 0.09 0.02 -0.28 -0.90 -0.87 0.00 0.00 176.83 174.90 3f5b n ASP 123 N -3.81 0.54 -4.86 4.97 5.68 -1.26 -4.92 116.55 112.90 3f5b n ASP 123 Ca -0.03 -0.36 -0.32 0.00 -0.50 0.00 0.00 54.79 53.58 3f5b n ASP 123 Cb 0.11 0.04 -0.06 0.00 -1.14 0.00 0.00 41.12 40.06 3f5b n ASP 123 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3f5b s THR 124 N -2.76 4.76 -0.08 2.12 2.01 -0.27 -5.02 115.64 116.40 3f5b s THR 124 Ca 0.19 0.81 -0.10 0.00 0.31 0.00 0.00 61.69 62.89 3f5b s THR 124 Cb 0.19 -3.62 -0.29 0.00 0.01 0.00 0.00 72.50 68.79 3f5b s THR 124 CO 0.58 -0.14 0.56 0.11 -0.69 0.00 0.00 174.62 175.04 3f5b h LYS 125 N 2.37 0.35 -3.63 4.92 6.56 -1.86 -3.42 116.57 121.85 3f5b h LYS 125 Ca -0.48 -0.59 -0.29 0.00 -1.06 0.00 0.00 60.65 58.23 3f5b h LYS 125 Cb 1.17 0.22 -0.32 0.00 -0.57 0.00 0.00 32.23 32.73 3f5b h LYS 125 CO 0.66 1.28 -0.73 0.42 -2.06 0.00 0.00 179.45 179.03 3f5b s ILE 126 N -2.56 0.01 -0.08 1.86 -1.09 -1.26 -1.52 121.20 116.56 3f5b s ILE 126 Ca -0.18 0.13 0.01 0.00 -2.23 0.00 0.00 60.65 58.38 3f5b s ILE 126 Cb 0.06 -0.11 -0.03 0.00 -1.58 0.00 0.00 42.46 40.80 3f5b s ILE 126 CO 0.82 0.08 -0.10 -0.69 -1.23 0.00 0.00 174.94 173.82 3f5b s VAL 127 N 0.78 3.42 -0.04 2.92 1.01 -0.59 -1.59 120.40 126.30 3f5b s VAL 127 Ca -0.07 -0.57 0.05 0.00 0.00 0.00 0.00 61.98 61.39 3f5b s VAL 127 Cb -0.10 -2.40 -0.02 0.00 0.00 0.00 0.00 36.38 33.86 3f5b s VAL 127 CO -0.02 0.57 -0.19 -0.76 0.00 0.00 0.00 175.10 174.71 3f5b s LEU 128 N -0.48 2.48 0.04 3.92 1.43 0.90 -0.77 118.68 126.19 3f5b s LEU 128 Ca 0.07 -0.31 0.03 0.00 -1.03 0.00 0.00 54.13 52.89 3f5b s LEU 128 Cb -0.12 -1.48 -0.02 0.00 0.03 0.00 0.00 46.19 44.60 3f5b s LEU 128 CO 0.02 0.32 -0.09 -0.51 0.23 0.00 0.00 176.35 176.32 3f5b s ILE 129 N -0.61 0.68 -0.46 -0.59 2.07 -1.26 -0.37 121.20 120.66 3f5b s ILE 129 Ca 0.09 -0.92 0.09 0.00 -1.41 0.00 0.00 60.65 58.50 3f5b s ILE 129 Cb -0.11 -0.68 0.32 0.00 0.13 0.00 0.00 42.46 42.12 3f5b s ILE 129 CO 0.00 -0.19 0.75 0.59 -1.91 0.00 0.00 174.94 174.18 3f5b n ASN 130 N 1.82 1.99 -4.83 4.50 3.02 -1.26 -4.54 115.26 115.96 3f5b n ASN 130 Ca -0.20 -3.18 -0.32 0.00 -0.03 0.00 0.00 54.58 50.85 3f5b n ASN 130 Cb 0.55 -0.61 -0.02 0.00 -0.61 0.00 0.00 39.78 39.09 3f5b n ASN 130 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3f5b s PRO 131 N -2.47 3.70 0.27 3.52 0.04 -1.24 -4.73 135.00 134.08 3f5b s PRO 131 Ca 0.41 1.03 -0.30 0.00 0.04 0.00 0.00 61.00 62.18 3f5b s PRO 131 Cb 0.28 -2.09 -0.11 0.00 0.04 0.00 0.00 34.50 32.61 3f5b s PRO 131 CO -0.09 -0.49 1.60 -2.00 0.04 0.00 0.00 177.00 176.06 3f5b s GLU 132 N -4.15 4.14 0.33 4.56 2.12 -1.26 -1.11 118.70 123.34 3f5b s GLU 132 Ca 0.60 2.54 0.01 0.00 0.36 0.00 0.00 54.97 58.48 3f5b s GLU 132 Cb -0.12 -3.05 0.56 0.00 0.26 0.00 0.00 34.13 31.78 3f5b s GLU 132 CO 0.35 -0.63 1.99 0.82 -0.54 0.00 0.00 175.26 177.25 3f5b h ILE 133 N 3.50 1.17 0.00 -3.70 2.04 -1.58 -0.27 117.51 118.68 3f5b h ILE 133 Ca -0.46 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.07 3f5b h ILE 133 Cb 1.22 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 37.42 3f5b h ILE 133 CO 0.82 0.18 0.00 -1.54 0.00 0.00 0.00 178.15 177.61 3f5b n SER 134 N -4.43 0.62 -3.87 1.72 3.41 -1.26 -3.88 113.62 105.93 3f5b n SER 134 Ca 0.08 0.68 -0.42 0.00 -0.26 0.00 0.00 58.87 58.94 3f5b n SER 134 Cb 0.05 -0.80 -0.00 0.00 -0.26 0.00 0.00 64.21 63.20 3f5b n SER 134 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3f5b n ASN 135 N -2.21 4.02 -0.16 4.04 2.85 -0.11 -4.79 115.26 118.89 3f5b n ASN 135 Ca 0.01 -2.85 0.02 0.00 -0.11 0.00 0.00 54.58 51.65 3f5b n ASN 135 Cb 0.19 -1.67 0.29 0.00 1.24 0.00 0.00 39.78 39.83 3f5b n ASN 135 CO 0.00 0.00 0.00 -0.33 -2.11 0.00 0.00 177.26 174.82 3f5b h GLU 136 N 6.28 0.87 -0.38 1.20 5.08 -1.81 -2.51 114.58 123.31 3f5b h GLU 136 Ca 0.55 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.80 3f5b h GLU 136 Cb 0.68 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 3f5b h GLU 136 CO 1.82 0.58 0.03 -0.09 -1.00 0.00 0.00 179.01 180.35 3f5b h ARG 137 N 0.90 0.66 -0.31 2.33 2.43 -1.93 -1.74 114.38 116.72 3f5b h ARG 137 Ca 0.25 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 3f5b h ARG 137 Cb -0.09 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.38 3f5b h ARG 137 CO -0.06 0.73 0.20 0.00 -1.51 0.00 0.00 179.97 179.34 3f5b h ALA 138 N 0.90 0.39 -0.59 2.80 0.00 -1.90 -0.05 119.26 120.80 3f5b h ALA 138 Ca 0.11 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.06 3f5b h ALA 138 Cb 0.42 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 3f5b h ALA 138 CO 0.01 -0.15 0.32 0.28 0.00 0.00 0.00 179.25 179.71 3f5b h VAL 139 N 0.41 0.96 0.03 0.00 2.07 -1.38 0.14 116.25 118.48 3f5b h VAL 139 Ca 0.11 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 67.43 3f5b h VAL 139 Cb -0.04 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.04 3f5b h VAL 139 CO -0.03 0.11 -0.01 -0.74 0.02 0.00 0.00 177.57 176.92 3f5b h HIS 140 N 0.60 -0.03 -0.48 1.57 6.17 -1.05 -0.44 115.15 121.48 3f5b h HIS 140 Ca 0.26 -0.00 0.04 0.00 0.71 0.00 0.00 60.37 61.38 3f5b h HIS 140 Cb 0.16 0.01 -0.04 0.00 2.52 0.00 0.00 27.41 30.06 3f5b h HIS 140 CO -0.09 0.12 0.24 0.28 0.71 0.00 0.00 177.93 179.19 3f5b h VAL 141 N -0.18 0.96 -0.61 5.26 2.07 -0.63 -0.52 116.25 122.59 3f5b h VAL 141 Ca -0.00 -0.16 -0.09 0.00 0.82 0.00 0.00 66.70 67.26 3f5b h VAL 141 Cb 0.17 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 3f5b h VAL 141 CO 0.01 0.09 0.01 1.88 0.02 0.00 0.00 177.57 179.58 3f5b h TYR 142 N 0.48 1.15 -0.71 1.57 0.05 -0.59 -0.77 116.97 118.15 3f5b h TYR 142 Ca 0.21 -0.19 0.03 0.00 0.05 0.00 0.00 58.73 58.83 3f5b h TYR 142 Cb 0.12 -0.30 -0.04 0.00 1.01 0.00 0.00 36.73 37.52 3f5b h TYR 142 CO -0.10 1.00 0.44 0.87 -1.05 0.00 0.00 178.16 179.32 3f5b h LYS 143 N 0.97 0.84 -0.73 4.88 1.57 -0.84 -1.06 116.57 122.21 3f5b h LYS 143 Ca 0.18 -0.05 0.07 0.00 -1.87 0.00 0.00 60.65 58.98 3f5b h LYS 143 Cb 0.54 -0.19 -0.05 0.00 0.08 0.00 0.00 32.23 32.61 3f5b h LYS 143 CO 0.03 0.56 0.48 0.87 -0.57 0.00 0.00 179.45 180.81 3f5b h LYS 144 N 0.87 0.70 0.00 3.15 1.57 -0.34 -1.18 116.57 121.33 3f5b h LYS 144 Ca 0.28 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 3f5b h LYS 144 Cb 0.02 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.17 3f5b h LYS 144 CO -0.11 0.46 0.00 0.00 -0.57 0.00 0.00 179.45 179.23 3f5b n ALA 145 N -2.45 2.07 0.00 3.86 0.00 -0.36 -4.90 120.51 118.72 3f5b n ALA 145 Ca 0.11 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3f5b n ALA 145 Cb 0.26 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.34 3f5b n ALA 145 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3f5b n GLY 146 N 0.88 0.67 3.77 0.00 0.00 -0.45 -5.00 105.19 105.07 3f5b n GLY 146 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 3f5b n GLY 146 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3f5b s PHE 147 N -2.00 3.20 -0.04 1.61 0.08 -0.48 -4.72 117.98 115.63 3f5b s PHE 147 Ca 0.00 1.53 0.06 0.00 0.12 0.00 0.00 56.93 58.63 3f5b s PHE 147 Cb 0.00 -3.51 -0.02 0.00 -0.57 0.00 0.00 43.02 38.92 3f5b s PHE 147 CO 0.00 -1.38 -0.21 -1.21 -0.10 0.00 0.00 175.22 172.32 3f5b s GLU 148 N -1.80 2.42 -0.04 0.44 2.02 0.30 -4.18 118.70 117.86 3f5b s GLU 148 Ca 0.49 -0.83 -0.30 0.00 0.02 0.00 0.00 54.97 54.35 3f5b s GLU 148 Cb -0.36 -2.21 -0.06 0.00 0.10 0.00 0.00 34.13 31.60 3f5b s GLU 148 CO 0.47 0.52 1.64 0.42 0.02 0.00 0.00 175.26 178.32 3f5b s ILE 149 N -0.49 3.53 -0.78 -1.63 1.01 -1.26 -0.86 121.20 120.72 3f5b s ILE 149 Ca 0.06 0.70 0.09 0.00 0.00 0.00 0.00 60.65 61.50 3f5b s ILE 149 Cb -0.11 -3.45 -0.00 0.00 0.01 0.00 0.00 42.46 38.90 3f5b s ILE 149 CO 0.01 -0.05 0.57 2.30 0.00 0.00 0.00 174.94 177.77 3f5b n ILE 150 N 5.33 0.00 0.00 2.92 -5.35 0.14 -4.95 119.36 117.46 3f5b n ILE 150 Ca 0.17 -0.41 0.00 0.00 -0.27 0.00 0.00 62.75 62.24 3f5b n ILE 150 Cb 0.43 1.10 0.00 0.00 -1.74 0.00 0.00 39.64 39.42 3f5b n ILE 150 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3f5b n GLY 151 N 0.84 -0.20 3.39 3.28 0.00 -1.14 -4.97 105.19 106.40 3f5b n GLY 151 Ca 0.03 -0.96 -0.21 0.00 0.00 0.00 0.00 46.02 44.88 3f5b n GLY 151 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3f5b s GLU 152 N -2.00 1.46 0.25 1.61 2.02 -1.26 -0.58 118.70 120.20 3f5b s GLU 152 Ca 0.00 -1.62 -0.20 0.00 0.02 0.00 0.00 54.97 53.17 3f5b s GLU 152 Cb 0.00 -1.43 0.02 0.00 0.10 0.00 0.00 34.13 32.82 3f5b s GLU 152 CO 0.00 0.26 0.64 -0.59 0.02 0.00 0.00 175.26 175.60 3f5b s PHE 153 N -2.58 -0.14 -0.27 1.61 -0.12 -0.21 -4.88 117.98 111.40 3f5b s PHE 153 Ca 0.24 -0.26 -0.06 0.00 -0.05 0.00 0.00 56.93 56.80 3f5b s PHE 153 Cb -0.03 0.57 0.00 0.00 -0.63 0.00 0.00 43.02 42.93 3f5b s PHE 153 CO 0.10 -1.12 0.03 0.42 -0.05 0.00 0.00 175.22 174.61 3f5b s ILE 154 N -3.91 3.74 0.18 -4.49 -1.09 -1.26 -0.23 121.20 114.14 3f5b s ILE 154 Ca 0.11 -0.62 -0.30 0.00 -2.23 0.00 0.00 60.65 57.61 3f5b s ILE 154 Cb -0.04 -2.85 -0.08 0.00 -1.58 0.00 0.00 42.46 37.91 3f5b s ILE 154 CO 0.04 0.20 1.05 0.00 -1.23 0.00 0.00 174.94 175.00 3f5b s ALA 155 N 1.49 3.34 0.41 9.38 0.00 -1.22 -4.92 121.76 130.25 3f5b s ALA 155 Ca 0.03 0.74 0.09 0.00 0.00 0.00 0.00 51.96 52.82 3f5b s ALA 155 Cb -0.16 -3.32 0.88 0.00 0.00 0.00 0.00 23.12 20.52 3f5b s ALA 155 CO 0.00 -0.11 2.03 0.66 0.00 0.00 0.00 175.76 178.34 3f5b h SER 156 N 4.97 0.36 1.04 0.00 4.64 -1.98 -2.20 113.55 120.39 3f5b h SER 156 Ca -0.44 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3f5b h SER 156 Cb 1.21 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 3f5b h SER 156 CO 0.71 0.32 -0.57 4.11 -0.87 0.00 0.00 176.83 180.54 3f5b h TRP 157 N 0.41 0.00 -1.05 4.77 0.09 -1.98 -3.41 115.95 114.77 3f5b h TRP 157 Ca 0.10 0.00 -0.15 0.00 0.09 0.00 0.00 58.89 58.93 3f5b h TRP 157 Cb 0.07 0.00 -0.17 0.00 0.08 0.00 0.00 29.16 29.14 3f5b h TRP 157 CO 0.00 0.00 -0.50 -1.58 0.09 0.00 0.00 178.44 176.45 3f5b s HIS 158 N -3.19 -1.54 -1.11 0.12 5.04 -0.98 -4.32 115.29 109.30 3f5b s HIS 158 Ca 0.06 -0.47 -0.11 0.00 -1.54 0.00 0.00 55.06 53.00 3f5b s HIS 158 Cb 0.12 0.27 -0.07 0.00 0.04 0.00 0.00 32.58 32.94 3f5b s HIS 158 CO 0.71 -1.24 2.28 -0.35 -2.34 0.00 0.00 174.74 173.80 3f5b n PRO 159 N 3.24 2.43 -4.51 2.88 -0.04 -0.86 -3.78 135.00 134.35 3f5b n PRO 159 Ca 0.17 -1.84 -0.24 0.00 -0.04 0.00 0.00 63.50 61.55 3f5b n PRO 159 Cb 0.56 -2.72 -0.11 0.00 -0.04 0.00 0.00 33.50 31.19 3f5b n PRO 159 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3f5b s VAL 160 N 3.42 1.82 0.33 0.52 -7.23 -1.26 -4.84 120.40 113.16 3f5b s VAL 160 Ca 0.51 -2.09 -0.29 0.00 -1.81 0.00 0.00 61.98 58.30 3f5b s VAL 160 Cb 0.13 -2.71 -0.10 0.00 0.56 0.00 0.00 36.38 34.26 3f5b s VAL 160 CO -0.02 -0.14 1.35 -2.84 -0.31 0.00 0.00 175.10 173.14 3f5b s PRO 161 N -3.72 4.31 0.09 4.82 0.02 -1.26 -3.39 135.00 135.87 3f5b s PRO 161 Ca 0.33 2.29 0.03 0.00 0.02 0.00 0.00 61.00 63.66 3f5b s PRO 161 Cb 0.06 -3.05 -0.04 0.00 0.02 0.00 0.00 34.50 31.49 3f5b s PRO 161 CO 0.15 -0.26 -0.08 -1.01 -0.33 0.00 0.00 177.00 175.47 3f5b s HIS 162 N -1.06 0.95 0.07 6.54 3.76 0.68 -1.50 115.29 124.74 3f5b s HIS 162 Ca 0.50 -0.74 -0.05 0.00 -0.15 0.00 0.00 55.06 54.63 3f5b s HIS 162 Cb -0.41 -0.53 -0.05 0.00 1.11 0.00 0.00 32.58 32.70 3f5b s HIS 162 CO 0.54 -0.06 0.30 0.71 -0.85 0.00 0.00 174.74 175.38 3f5b s TYR 163 N -2.80 3.53 0.36 1.40 2.02 -0.26 -1.04 117.35 120.56 3f5b s TYR 163 Ca 0.06 0.51 0.06 0.00 -0.37 0.00 0.00 57.07 57.34 3f5b s TYR 163 Cb -0.00 -1.96 -0.00 0.00 -0.40 0.00 0.00 41.96 39.59 3f5b s TYR 163 CO -0.02 0.54 0.50 0.21 -1.57 0.00 0.00 175.55 175.21 3f5b s LYS 164 N -2.25 3.05 -0.30 -0.62 2.20 0.26 -3.59 119.74 118.50 3f5b s LYS 164 Ca 0.34 -1.03 -0.25 0.00 -0.36 0.00 0.00 55.97 54.68 3f5b s LYS 164 Cb -0.13 -2.79 0.20 0.00 -1.51 0.00 0.00 37.83 33.60 3f5b s LYS 164 CO 0.22 -0.02 1.48 0.21 -0.36 0.00 0.00 175.35 176.88 3f5b s LYS 166 N -4.23 0.01 -0.05 4.03 2.20 -0.04 0.27 119.74 121.93 3f5b s LYS 166 Ca 0.47 0.01 0.04 0.00 -0.36 0.00 0.00 55.97 56.14 3f5b s LYS 166 Cb -0.10 0.01 -0.00 0.00 -1.51 0.00 0.00 37.83 36.23 3f5b s LYS 166 CO 0.32 -0.00 -0.17 -1.17 -0.36 0.00 0.00 175.35 173.97 3f5b s LEU 167 N 0.03 1.88 -0.39 5.43 0.20 0.05 -0.54 118.68 125.34 3f5b s LEU 167 Ca 0.07 -0.36 -0.21 0.00 0.69 0.00 0.00 54.13 54.32 3f5b s LEU 167 Cb -0.05 -0.98 0.01 0.00 -0.43 0.00 0.00 46.19 44.75 3f5b s LEU 167 CO -0.17 0.13 0.68 0.00 -0.29 0.00 0.00 176.35 176.71 3f5b h ILE 169 N 5.79 1.10 -0.09 0.00 2.04 -1.53 -0.95 117.51 123.87 3f5b h ILE 169 Ca -0.26 -0.32 -0.15 0.00 1.00 0.00 0.00 64.86 65.13 3f5b h ILE 169 Cb 1.10 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 3f5b h ILE 169 CO 0.88 0.17 -0.60 -0.33 0.00 0.00 0.00 178.15 178.28 3f5b h GLU 170 N 0.94 0.31 -0.41 2.37 4.39 -1.85 -0.94 114.58 119.40 3f5b h GLU 170 Ca 0.32 -0.21 -0.01 0.00 0.34 0.00 0.00 59.36 59.80 3f5b h GLU 170 Cb 0.09 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.75 3f5b h GLU 170 CO -0.10 0.82 0.23 -0.44 -1.16 0.00 0.00 179.01 178.36 3f5b h ASP 171 N 0.23 0.51 -0.32 1.42 3.32 -1.80 -1.78 116.42 117.99 3f5b h ASP 171 Ca -0.00 -0.08 0.07 0.00 0.02 0.00 0.00 57.03 57.03 3f5b h ASP 171 Cb 1.11 -0.13 -0.07 0.00 0.22 0.00 0.00 39.33 40.46 3f5b h ASP 171 CO 0.10 0.44 -0.14 0.25 -1.72 0.00 0.00 179.24 178.17 3f5b h LEU 172 N 0.53 -0.47 0.03 1.55 5.85 -0.62 -0.30 115.31 121.88 3f5b h LEU 172 Ca 0.14 0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.98 3f5b h LEU 172 Cb 0.05 0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.34 3f5b h LEU 172 CO -0.02 -0.17 -0.01 0.11 -0.34 0.00 0.00 178.44 178.00 3f5b h LYS 173 N -0.08 -0.04 -0.05 1.25 1.57 -1.08 0.16 116.57 118.31 3f5b h LYS 173 Ca 0.16 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.92 3f5b h LYS 173 Cb 0.33 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 3f5b h LYS 173 CO -0.38 -0.03 -0.09 0.87 -0.57 0.00 0.00 179.45 179.26 3f5b h LYS 174 N -0.04 0.07 -0.01 3.15 1.57 -1.03 -1.07 116.57 119.22 3f5b h LYS 174 Ca -0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3f5b h LYS 174 Cb 0.03 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.33 3f5b h LYS 174 CO 0.00 0.16 -0.40 1.04 -0.57 0.00 0.00 179.45 179.68 3f5b n GLN 175 N -4.40 0.65 0.00 3.15 6.02 -0.15 -5.10 117.38 117.55 3f5b n GLN 175 Ca -0.02 -0.43 0.14 0.00 -0.01 0.00 0.00 57.00 56.68 3f5b n GLN 175 Cb 0.18 -1.49 0.56 0.00 1.02 0.00 0.00 30.24 30.51 3f5b n GLN 175 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92