#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fqw n ASP 3 N 0.00 4.12 0.25 0.00 2.03 -1.26 -4.84 116.55 116.85 1fqw n ASP 3 Ca 0.00 0.91 0.14 0.00 0.52 0.00 0.00 54.79 56.35 1fqw n ASP 3 Cb 0.00 -1.52 0.75 0.00 -0.72 0.00 0.00 41.12 39.63 1fqw n ASP 3 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 1fqw h LYS 4 N 10.52 0.00 -0.02 -0.67 2.10 -1.98 0.46 116.57 126.98 1fqw h LYS 4 Ca -0.50 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.15 1fqw h LYS 4 Cb 1.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 1fqw h LYS 4 CO 0.94 0.00 -0.08 0.39 -2.00 0.00 0.00 179.45 178.70 1fqw n GLU 5 N -2.57 1.66 -1.57 0.07 -0.58 -1.26 -4.33 120.64 112.06 1fqw n GLU 5 Ca -0.02 -1.13 -0.48 0.00 -0.42 0.00 0.00 57.16 55.10 1fqw n GLU 5 Cb 0.20 -1.48 -0.04 0.00 -0.57 0.00 0.00 31.44 29.55 1fqw n GLU 5 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1fqw n LEU 6 N 0.32 1.38 -4.58 -4.62 7.94 0.15 -4.83 117.00 112.77 1fqw n LEU 6 Ca 0.16 1.15 -0.39 0.00 -1.11 0.00 0.00 56.01 55.81 1fqw n LEU 6 Cb 0.43 -1.21 -0.09 0.00 0.53 0.00 0.00 43.42 43.07 1fqw n LEU 6 CO 0.19 -1.43 0.02 -0.75 -1.11 0.00 0.00 177.39 174.31 1fqw s LYS 7 N -0.61 3.85 0.06 1.96 2.20 -1.26 -4.56 119.74 121.37 1fqw s LYS 7 Ca 0.70 -0.18 -0.05 0.00 -0.36 0.00 0.00 55.97 56.09 1fqw s LYS 7 Cb -0.84 -3.71 -0.05 0.00 -1.51 0.00 0.00 37.83 31.73 1fqw s LYS 7 CO 0.54 -0.35 0.29 -0.06 -0.36 0.00 0.00 175.35 175.41 1fqw s PHE 8 N 2.00 3.54 -0.14 4.03 0.40 -0.59 -0.39 117.98 126.84 1fqw s PHE 8 Ca 0.13 0.52 0.01 0.00 -0.60 0.00 0.00 56.93 56.99 1fqw s PHE 8 Cb -0.16 -1.96 0.02 0.00 0.51 0.00 0.00 43.02 41.43 1fqw s PHE 8 CO 0.11 0.56 -0.17 -1.17 0.70 0.00 0.00 175.22 175.25 1fqw s LEU 9 N -2.13 1.83 -0.27 -0.37 2.96 -0.69 -0.67 118.68 119.34 1fqw s LEU 9 Ca 0.33 -0.51 -0.07 0.00 -0.22 0.00 0.00 54.13 53.66 1fqw s LEU 9 Cb -0.13 -1.24 -0.01 0.00 0.50 0.00 0.00 46.19 45.31 1fqw s LEU 9 CO 0.21 -0.00 0.07 -0.69 -1.32 0.00 0.00 176.35 174.61 1fqw s VAL 10 N 1.19 4.06 -0.21 1.68 1.01 0.72 -1.23 120.40 127.62 1fqw s VAL 10 Ca -0.01 -0.46 -0.03 0.00 0.00 0.00 0.00 61.98 61.48 1fqw s VAL 10 Cb -0.14 -2.99 -0.00 0.00 0.00 0.00 0.00 36.38 33.25 1fqw s VAL 10 CO -0.07 0.21 -0.08 -0.69 0.00 0.00 0.00 175.10 174.47 1fqw s VAL 11 N 1.55 3.06 -0.18 2.92 1.01 0.92 -0.90 120.40 128.77 1fqw s VAL 11 Ca 0.04 -0.60 -0.29 0.00 0.00 0.00 0.00 61.98 61.13 1fqw s VAL 11 Cb -0.16 -2.37 0.11 0.00 0.00 0.00 0.00 36.38 33.97 1fqw s VAL 11 CO 0.02 0.45 0.94 -0.62 0.00 0.00 0.00 175.10 175.90 1fqw s ASP 12 N 1.38 -0.45 0.00 3.32 -1.08 -0.99 -0.43 116.67 118.43 1fqw s ASP 12 Ca 0.05 0.62 0.19 0.00 -0.52 0.00 0.00 52.55 52.88 1fqw s ASP 12 Cb -0.14 0.54 0.76 0.00 -1.46 0.00 0.00 42.92 42.62 1fqw s ASP 12 CO -0.05 -0.33 1.54 -0.90 0.52 0.00 0.00 175.17 175.94 1fqw n ASP 13 N 1.22 1.27 -3.92 -0.34 5.75 -1.22 -4.07 116.55 115.24 1fqw n ASP 13 Ca -0.12 -1.68 -0.27 0.00 -0.01 0.00 0.00 54.79 52.70 1fqw n ASP 13 Cb 0.57 -0.09 -0.17 0.00 -1.03 0.00 0.00 41.12 40.40 1fqw n ASP 13 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 1fqw s PHE 14 N -1.82 1.55 0.26 2.11 0.08 -1.26 -5.02 117.98 113.88 1fqw s PHE 14 Ca 0.29 -0.78 -0.02 0.00 0.12 0.00 0.00 56.93 56.55 1fqw s PHE 14 Cb 0.15 -1.26 0.56 0.00 -0.57 0.00 0.00 43.02 41.90 1fqw s PHE 14 CO 0.23 -0.52 1.67 0.66 -0.10 0.00 0.00 175.22 177.17 1fqw h SER 15 N 8.12 0.04 -0.60 1.36 4.64 -1.99 -0.74 113.55 124.37 1fqw h SER 15 Ca -0.31 0.16 0.12 0.00 -0.47 0.00 0.00 61.79 61.29 1fqw h SER 15 Cb 1.13 0.21 -0.09 0.00 -0.31 0.00 0.00 62.40 63.34 1fqw h SER 15 CO 0.42 -0.07 0.09 0.74 -0.87 0.00 0.00 176.83 177.14 1fqw h THR 16 N 0.27 0.59 -0.11 2.95 2.02 -1.98 0.37 112.91 117.02 1fqw h THR 16 Ca 0.47 -0.07 -0.17 0.00 0.77 0.00 0.00 66.41 67.41 1fqw h THR 16 Cb 0.86 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 67.63 1fqw h THR 16 CO -0.56 0.04 -0.67 -0.03 0.37 0.00 0.00 175.52 174.67 1fqw h MET 17 N 0.21 0.44 -0.47 6.66 -1.53 -1.57 -1.17 114.93 117.49 1fqw h MET 17 Ca 0.32 -0.33 -0.08 0.00 -3.44 0.00 0.00 59.70 56.17 1fqw h MET 17 Cb 0.49 0.06 -0.02 0.00 -0.55 0.00 0.00 31.60 31.58 1fqw h MET 17 CO -0.44 0.95 -0.00 0.00 0.14 0.00 0.00 176.91 177.55 1fqw h ARG 18 N 0.31 0.84 -0.65 0.39 3.08 -0.86 -2.55 114.38 114.94 1fqw h ARG 18 Ca -0.02 -0.27 0.03 0.00 0.07 0.00 0.00 59.98 59.79 1fqw h ARG 18 Cb 1.23 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 31.16 1fqw h ARG 18 CO 0.12 0.89 0.40 -0.09 -1.07 0.00 0.00 179.97 180.22 1fqw h ARG 19 N 0.69 0.76 -0.60 0.04 2.43 -0.07 0.74 114.38 118.37 1fqw h ARG 19 Ca 0.13 -0.05 0.03 0.00 -0.81 0.00 0.00 59.98 59.29 1fqw h ARG 19 Cb 0.51 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 29.85 1fqw h ARG 19 CO 0.03 0.50 0.37 0.82 -1.51 0.00 0.00 179.97 180.18 1fqw h ILE 20 N 0.78 1.07 -0.29 1.20 2.04 -1.05 -2.07 117.51 119.19 1fqw h ILE 20 Ca 0.27 -0.25 -0.16 0.00 1.00 0.00 0.00 64.86 65.72 1fqw h ILE 20 Cb 0.04 0.28 -0.00 0.00 -0.74 0.00 0.00 36.82 36.39 1fqw h ILE 20 CO -0.11 0.13 -0.44 0.58 0.00 0.00 0.00 178.15 178.31 1fqw h VAL 21 N 0.73 1.29 0.46 1.67 2.07 -0.98 -2.18 116.25 119.31 1fqw h VAL 21 Ca 0.24 -1.62 -0.02 0.00 0.82 0.00 0.00 66.70 66.12 1fqw h VAL 21 Cb 0.02 1.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 1fqw h VAL 21 CO -0.10 0.53 -0.30 -0.09 0.02 0.00 0.00 177.57 177.63 1fqw h ARG 22 N 0.58 -0.70 -0.48 1.57 2.43 -0.74 -0.41 114.38 116.63 1fqw h ARG 22 Ca 0.03 0.05 0.07 0.00 -0.81 0.00 0.00 59.98 59.31 1fqw h ARG 22 Cb 1.04 0.16 -0.06 0.00 -0.42 0.00 0.00 29.97 30.69 1fqw h ARG 22 CO 0.10 -0.47 0.16 -0.91 -1.51 0.00 0.00 179.97 177.34 1fqw h ASN 23 N -0.73 0.15 -0.46 -3.80 4.21 -1.42 -0.88 115.58 112.65 1fqw h ASN 23 Ca -0.05 0.06 0.06 0.00 1.21 0.00 0.00 56.30 57.58 1fqw h ASN 23 Cb 0.60 0.05 -0.05 0.00 -1.12 0.00 0.00 38.32 37.80 1fqw h ASN 23 CO 0.04 0.11 0.16 -0.07 -1.29 0.00 0.00 177.43 176.39 1fqw h LEU 24 N 0.33 0.17 -1.01 1.61 3.38 -1.20 -1.13 115.31 117.46 1fqw h LEU 24 Ca 0.23 0.05 0.08 0.00 0.09 0.00 0.00 57.88 58.33 1fqw h LEU 24 Cb 0.25 0.04 -0.07 0.00 0.09 0.00 0.00 40.66 40.96 1fqw h LEU 24 CO -0.24 0.13 0.65 -0.07 0.09 0.00 0.00 178.44 178.99 1fqw h LEU 25 N 0.34 1.02 -0.76 1.67 3.38 -0.24 -1.23 115.31 119.49 1fqw h LEU 25 Ca 0.22 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.13 1fqw h LEU 25 Cb 0.21 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 1fqw h LEU 25 CO -0.22 0.63 0.08 0.50 0.09 0.00 0.00 178.44 179.52 1fqw h LYS 26 N 1.14 1.02 -0.56 1.13 3.64 -0.08 -0.63 116.57 122.23 1fqw h LYS 26 Ca 0.45 -0.27 0.09 0.00 -1.27 0.00 0.00 60.65 59.65 1fqw h LYS 26 Cb 0.24 -0.12 -0.07 0.00 -0.41 0.00 0.00 32.23 31.87 1fqw h LYS 26 CO -0.19 0.95 0.15 0.93 -2.27 0.00 0.00 179.45 179.02 1fqw h GLU 27 N 0.96 0.29 0.00 1.90 4.39 -0.08 0.11 114.58 122.14 1fqw h GLU 27 Ca 0.19 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.87 1fqw h GLU 27 Cb 0.44 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 1fqw h GLU 27 CO 0.01 0.19 0.00 1.28 -1.16 0.00 0.00 179.01 179.34 1fqw n LEU 28 N -5.08 0.00 0.00 1.33 4.77 -0.85 -4.86 117.00 112.32 1fqw n LEU 28 Ca 0.07 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 1fqw n LEU 28 Cb 0.27 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1fqw n LEU 28 CO 0.20 -0.13 0.00 0.61 -1.33 0.00 0.00 177.39 176.74 1fqw n GLY 29 N 0.11 0.92 3.30 -0.72 0.00 0.38 -5.07 105.19 104.10 1fqw n GLY 29 Ca 0.08 -0.08 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1fqw n GLY 29 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1fqw s PHE 30 N -2.00 3.27 -0.48 1.61 0.08 -0.30 -4.80 117.98 115.36 1fqw s PHE 30 Ca 0.00 -1.34 0.15 0.00 0.12 0.00 0.00 56.93 55.86 1fqw s PHE 30 Cb 0.00 -2.41 -0.18 0.00 -0.57 0.00 0.00 43.02 39.86 1fqw s PHE 30 CO 0.00 -0.73 0.53 0.09 -0.10 0.00 0.00 175.22 175.01 1fqw n ASN 31 N 4.87 0.96 -4.50 1.36 3.02 -1.26 -3.11 115.26 116.60 1fqw n ASN 31 Ca -0.12 -0.57 -0.44 0.00 -0.03 0.00 0.00 54.58 53.42 1fqw n ASN 31 Cb 0.45 1.23 -0.00 0.00 -0.61 0.00 0.00 39.78 40.84 1fqw n ASN 31 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1fqw s ASN 32 N -2.83 7.01 -0.04 6.41 2.47 -1.26 -4.94 114.94 121.76 1fqw s ASN 32 Ca 0.02 -2.86 0.01 0.00 0.42 0.00 0.00 52.86 50.45 1fqw s ASN 32 Cb 0.11 -2.45 0.02 0.00 -1.45 0.00 0.00 41.25 37.48 1fqw s ASN 32 CO 0.61 -0.86 -0.04 -0.69 -3.72 0.00 0.00 177.10 172.40 1fqw s VAL 33 N 2.30 0.52 0.30 -5.21 1.01 -1.26 -1.53 120.40 116.53 1fqw s VAL 33 Ca 0.46 -0.12 0.11 0.00 0.00 0.00 0.00 61.98 62.43 1fqw s VAL 33 Cb -0.01 -0.54 -0.06 0.00 0.00 0.00 0.00 36.38 35.77 1fqw s VAL 33 CO 0.02 0.22 -0.16 -1.61 0.00 0.00 0.00 175.10 173.57 1fqw s GLU 34 N 0.87 1.74 0.18 2.72 0.41 0.15 -4.98 118.70 119.78 1fqw s GLU 34 Ca -0.12 -1.83 0.11 0.00 -0.41 0.00 0.00 54.97 52.72 1fqw s GLU 34 Cb -0.14 -1.75 -0.04 0.00 -1.78 0.00 0.00 34.13 30.42 1fqw s GLU 34 CO 0.00 0.26 -0.23 -1.21 -0.49 0.00 0.00 175.26 173.59 1fqw s GLU 35 N -3.55 1.56 0.01 1.61 2.02 -1.26 -0.20 118.70 118.88 1fqw s GLU 35 Ca 0.31 -1.46 -0.04 0.00 0.02 0.00 0.00 54.97 53.80 1fqw s GLU 35 Cb -0.02 -1.89 -0.01 0.00 0.10 0.00 0.00 34.13 32.31 1fqw s GLU 35 CO 0.16 0.42 0.07 0.00 0.02 0.00 0.00 175.26 175.93 1fqw s ALA 36 N -1.54 -0.16 -1.49 5.21 0.00 -0.08 -4.88 121.76 118.82 1fqw s ALA 36 Ca 0.20 -0.26 0.20 0.00 0.00 0.00 0.00 51.96 52.10 1fqw s ALA 36 Cb -0.08 0.10 -0.09 0.00 0.00 0.00 0.00 23.12 23.05 1fqw s ALA 36 CO 0.10 -0.18 0.94 -0.85 0.00 0.00 0.00 175.76 175.77 1fqw n GLU 37 N 1.64 1.06 -3.83 0.00 0.28 -1.26 -2.34 120.64 116.20 1fqw n GLU 37 Ca -0.22 -0.57 -0.05 0.00 -0.16 0.00 0.00 57.16 56.16 1fqw n GLU 37 Cb 0.56 -1.41 0.01 0.00 1.43 0.00 0.00 31.44 32.02 1fqw n GLU 37 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 177.13 177.13 1fqw s ASP 38 N -2.51 -0.07 0.31 -1.84 1.47 -1.26 -3.38 116.67 109.39 1fqw s ASP 38 Ca 0.13 -0.74 -0.00 0.00 1.18 0.00 0.00 52.55 53.12 1fqw s ASP 38 Cb 0.16 0.62 0.51 0.00 -0.34 0.00 0.00 42.92 43.87 1fqw s ASP 38 CO 0.63 -1.21 1.96 1.23 0.68 0.00 0.00 175.17 178.46 1fqw h GLY 39 N 2.00 1.14 0.58 2.12 0.00 -1.42 0.21 103.07 107.70 1fqw h GLY 39 Ca -0.27 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 46.65 1fqw h GLY 39 CO 0.33 0.37 -0.05 -2.08 0.00 0.00 0.00 176.54 175.11 1fqw h VAL 40 N 1.04 1.09 -0.90 4.60 2.07 -1.89 -0.56 116.25 121.70 1fqw h VAL 40 Ca 0.31 -0.88 0.06 0.00 0.82 0.00 0.00 66.70 67.02 1fqw h VAL 40 Cb -0.02 1.64 -0.06 0.00 -1.52 0.00 0.00 31.29 31.33 1fqw h VAL 40 CO -0.08 0.21 0.59 -0.78 0.02 0.00 0.00 177.57 177.52 1fqw h ASP 41 N -0.56 0.90 -0.15 0.57 3.58 -1.91 -1.17 116.42 117.68 1fqw h ASP 41 Ca -0.01 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.43 1fqw h ASP 41 Cb 0.45 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.31 1fqw h ASP 41 CO 0.02 0.58 0.04 0.00 -2.88 0.00 0.00 179.24 177.00 1fqw h ALA 42 N 1.51 0.19 -0.45 -0.78 0.00 -0.44 -2.66 119.26 116.64 1fqw h ALA 42 Ca 0.39 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 1fqw h ALA 42 Cb 0.20 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1fqw h ALA 42 CO -0.15 -0.18 0.12 -0.07 0.00 0.00 0.00 179.25 178.98 1fqw h LEU 43 N 0.05 0.61 -0.19 0.00 3.38 -0.45 -0.75 115.31 117.95 1fqw h LEU 43 Ca 0.05 -0.09 0.02 0.00 0.09 0.00 0.00 57.88 57.95 1fqw h LEU 43 Cb 0.24 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1fqw h LEU 43 CO -0.00 0.60 0.05 0.78 0.09 0.00 0.00 178.44 179.96 1fqw h ASN 44 N 0.65 0.04 -0.40 -0.43 -0.26 -1.07 0.28 115.58 114.40 1fqw h ASN 44 Ca 0.15 0.02 -0.09 0.00 -0.56 0.00 0.00 56.30 55.82 1fqw h ASN 44 Cb 0.22 0.02 -0.02 0.00 -1.06 0.00 0.00 38.32 37.49 1fqw h ASN 44 CO -0.01 0.05 -0.09 0.11 -1.06 0.00 0.00 177.43 176.44 1fqw h LYS 45 N 0.14 0.84 -0.57 0.81 1.57 -1.13 -2.30 116.57 115.94 1fqw h LYS 45 Ca 0.09 -0.28 -0.04 0.00 -1.87 0.00 0.00 60.65 58.55 1fqw h LYS 45 Cb 0.07 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 1fqw h LYS 45 CO -0.10 0.90 0.20 -0.07 -0.57 0.00 0.00 179.45 179.80 1fqw h LEU 46 N 0.76 0.77 -0.37 2.94 3.38 -0.70 -2.20 115.31 119.89 1fqw h LEU 46 Ca 0.13 -0.11 0.04 0.00 0.09 0.00 0.00 57.88 58.03 1fqw h LEU 46 Cb 0.59 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 1fqw h LEU 46 CO 0.04 0.71 0.14 -0.61 0.09 0.00 0.00 178.44 178.81 1fqw h GLN 47 N 0.82 0.29 -0.11 1.13 4.15 0.09 0.44 115.11 121.92 1fqw h GLN 47 Ca 0.19 -0.02 0.03 0.00 0.77 0.00 0.00 58.65 59.63 1fqw h GLN 47 Cb 0.21 -0.07 -0.00 0.00 0.21 0.00 0.00 27.48 27.83 1fqw h GLN 47 CO -0.01 0.19 0.25 0.00 -1.93 0.00 0.00 178.83 177.33 1fqw h ALA 48 N 1.23 1.53 -0.28 3.38 0.00 -0.95 -3.47 119.26 120.70 1fqw h ALA 48 Ca 0.17 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.10 1fqw h ALA 48 Cb 0.13 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1fqw h ALA 48 CO -0.16 -0.31 -0.06 0.41 0.00 0.00 0.00 179.25 179.13 1fqw n GLY 49 N -1.29 -1.69 0.00 0.00 0.00 0.14 -5.00 105.19 97.36 1fqw n GLY 49 Ca 0.00 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.54 1fqw n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fqw n GLY 50 N -2.01 2.70 3.77 -0.02 0.00 -1.26 -4.93 105.19 103.44 1fqw n GLY 50 Ca -0.00 -0.57 -0.41 0.00 0.00 0.00 0.00 46.02 45.04 1fqw n GLY 50 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1fqw s TYR 51 N -1.36 2.74 0.00 1.61 2.02 -1.26 -4.53 117.35 116.56 1fqw s TYR 51 Ca 0.00 1.16 0.00 0.00 -0.37 0.00 0.00 57.07 57.86 1fqw s TYR 51 Cb 0.00 -3.94 0.00 0.00 -0.40 0.00 0.00 41.96 37.62 1fqw s TYR 51 CO 0.00 -2.82 0.64 0.41 -1.57 0.00 0.00 175.55 172.21 1fqw n GLY 52 N 0.89 0.19 3.59 0.71 0.00 0.48 -4.93 105.19 106.12 1fqw n GLY 52 Ca 0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.90 1fqw n GLY 52 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1fqw s PHE 53 N -0.35 -0.63 -0.02 1.61 2.19 -0.98 -4.50 117.98 115.31 1fqw s PHE 53 Ca 0.00 1.34 0.04 0.00 0.33 0.00 0.00 56.93 58.64 1fqw s PHE 53 Cb 0.00 0.36 -0.01 0.00 -1.31 0.00 0.00 43.02 42.06 1fqw s PHE 53 CO 0.00 -0.41 -0.14 0.08 1.83 0.00 0.00 175.22 176.58 1fqw s VAL 54 N -0.34 1.10 -0.11 3.12 1.01 0.11 -1.70 120.40 123.59 1fqw s VAL 54 Ca -0.03 -0.57 -0.00 0.00 0.00 0.00 0.00 61.98 61.37 1fqw s VAL 54 Cb -0.03 -0.93 0.02 0.00 0.00 0.00 0.00 36.38 35.44 1fqw s VAL 54 CO 0.02 0.32 -0.08 -0.63 0.00 0.00 0.00 175.10 174.73 1fqw s ILE 55 N -0.17 1.02 0.01 2.22 1.01 -0.37 -0.53 121.20 124.39 1fqw s ILE 55 Ca 0.02 -0.29 0.00 0.00 0.00 0.00 0.00 60.65 60.39 1fqw s ILE 55 Cb -0.07 -1.03 -0.01 0.00 0.01 0.00 0.00 42.46 41.36 1fqw s ILE 55 CO 0.00 0.36 -0.02 -0.55 0.00 0.00 0.00 174.94 174.74 1fqw s SER 56 N 1.65 0.18 0.92 3.58 0.15 0.62 -0.05 113.70 120.74 1fqw s SER 56 Ca 0.04 -0.17 -0.13 0.00 0.70 0.00 0.00 55.95 56.39 1fqw s SER 56 Cb -0.13 0.02 0.14 0.00 -1.71 0.00 0.00 66.02 64.34 1fqw s SER 56 CO -0.07 -0.08 1.15 -0.62 1.20 0.00 0.00 173.24 174.81 1fqw s ASP 57 N -0.47 3.47 -0.05 5.45 2.15 0.43 -1.09 116.67 126.56 1fqw s ASP 57 Ca -0.04 0.91 -0.05 0.00 0.43 0.00 0.00 52.55 53.80 1fqw s ASP 57 Cb -0.03 -1.45 -0.02 0.00 -0.30 0.00 0.00 42.92 41.12 1fqw s ASP 57 CO -0.00 -2.57 -0.11 1.87 -0.17 0.00 0.00 175.17 174.19 1fqw n TRP 58 N -3.77 0.00 -1.99 -5.34 -0.00 -1.26 -3.71 117.44 101.37 1fqw n TRP 58 Ca 0.07 0.00 -0.38 0.00 -0.00 0.00 0.00 57.50 57.19 1fqw n TRP 58 Cb 0.59 -0.15 -0.03 0.00 -0.00 0.00 0.00 31.31 31.72 1fqw n TRP 58 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 177.69 178.90 1fqw s ASN 59 N -4.79 5.17 -0.05 5.87 2.47 -1.26 -1.06 114.94 121.30 1fqw s ASN 59 Ca -0.09 0.40 -0.05 0.00 0.42 0.00 0.00 52.86 53.54 1fqw s ASN 59 Cb 0.01 -2.53 0.01 0.00 -1.45 0.00 0.00 41.25 37.30 1fqw s ASN 59 CO 0.13 -2.44 0.13 -0.04 -3.72 0.00 0.00 177.10 171.15 1fqw s MET 60 N 7.18 0.16 0.96 0.43 -1.94 -1.26 -4.75 119.30 120.08 1fqw s MET 60 Ca 0.70 0.17 -0.13 0.00 -1.71 0.00 0.00 55.69 54.72 1fqw s MET 60 Cb -0.13 0.08 0.17 0.00 2.01 0.00 0.00 34.83 36.95 1fqw s MET 60 CO 0.21 -0.02 1.15 -1.25 -0.01 0.00 0.00 175.02 175.09 1fqw s PRO 61 N 0.04 0.71 0.00 2.03 0.04 -1.26 -3.40 135.00 133.16 1fqw s PRO 61 Ca -0.00 0.21 0.00 0.00 0.04 0.00 0.00 61.00 61.24 1fqw s PRO 61 Cb -0.01 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.73 1fqw s PRO 61 CO 0.00 -2.47 0.00 0.09 0.04 0.00 0.00 177.00 174.66 1fqw n ASN 62 N -3.94 0.00 -3.44 6.66 3.02 -1.26 -4.49 115.26 111.80 1fqw n ASN 62 Ca 0.08 0.00 0.01 0.00 -0.03 0.00 0.00 54.58 54.64 1fqw n ASN 62 Cb 0.59 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.73 1fqw n ASN 62 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 1fqw s MET 63 N 0.00 0.46 0.91 3.52 1.75 -1.26 -4.85 119.30 119.83 1fqw s MET 63 Ca 0.00 1.07 -0.14 0.00 -1.25 0.00 0.00 55.69 55.37 1fqw s MET 63 Cb 0.00 0.63 0.15 0.00 2.84 0.00 0.00 34.83 38.45 1fqw s MET 63 CO 0.00 -0.25 1.22 0.16 -0.65 0.00 0.00 175.02 175.50 1fqw s ASP 64 N 2.76 3.59 0.39 1.11 1.47 -1.22 -1.30 116.67 123.46 1fqw s ASP 64 Ca 0.00 0.62 0.09 0.00 1.18 0.00 0.00 52.55 54.45 1fqw s ASP 64 Cb -0.11 -0.95 0.78 0.00 -0.34 0.00 0.00 42.92 42.31 1fqw s ASP 64 CO -0.18 -2.47 1.92 1.23 0.68 0.00 0.00 175.17 176.35 1fqw h GLY 65 N -1.45 0.27 0.80 2.12 0.00 -1.17 -0.31 103.07 103.34 1fqw h GLY 65 Ca -0.46 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 46.70 1fqw h GLY 65 CO 0.53 0.15 -0.09 -2.00 0.00 0.00 0.00 176.54 175.13 1fqw h LEU 66 N 0.24 -0.22 -0.70 3.11 6.46 -1.84 0.28 115.31 122.64 1fqw h LEU 66 Ca 0.05 -0.15 0.07 0.00 -0.12 0.00 0.00 57.88 57.73 1fqw h LEU 66 Cb 0.36 0.06 -0.06 0.00 -0.73 0.00 0.00 40.66 40.29 1fqw h LEU 66 CO 0.02 0.02 0.39 -0.33 -0.62 0.00 0.00 178.44 177.92 1fqw h GLU 67 N -0.46 0.68 0.01 1.25 4.39 -1.89 0.57 114.58 119.14 1fqw h GLU 67 Ca -0.03 -0.04 0.01 0.00 0.34 0.00 0.00 59.36 59.64 1fqw h GLU 67 Cb 0.35 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 1fqw h GLU 67 CO 0.04 0.45 -0.06 1.25 -1.16 0.00 0.00 179.01 179.53 1fqw h LEU 68 N 0.70 -0.17 0.11 1.33 5.85 -0.82 0.58 115.31 122.89 1fqw h LEU 68 Ca 0.32 0.02 0.01 0.00 0.84 0.00 0.00 57.88 59.08 1fqw h LEU 68 Cb 0.23 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 1fqw h LEU 68 CO -0.20 -0.09 -0.19 0.25 -0.34 0.00 0.00 178.44 177.87 1fqw h LEU 69 N -0.11 -0.52 -0.77 2.25 5.85 0.52 0.53 115.31 123.06 1fqw h LEU 69 Ca 0.02 0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.82 1fqw h LEU 69 Cb 0.13 0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.32 1fqw h LEU 69 CO -0.06 -0.27 0.50 0.11 -0.34 0.00 0.00 178.44 178.39 1fqw h LYS 70 N -0.36 0.97 -0.63 1.25 1.57 0.45 -1.26 116.57 118.56 1fqw h LYS 70 Ca 0.02 -0.06 0.03 0.00 -1.87 0.00 0.00 60.65 58.77 1fqw h LYS 70 Cb 0.38 -0.22 -0.04 0.00 0.08 0.00 0.00 32.23 32.43 1fqw h LYS 70 CO -0.10 0.64 0.39 1.15 -0.57 0.00 0.00 179.45 180.96 1fqw h THR 71 N 1.00 1.08 -0.45 -0.16 2.02 0.53 -1.27 112.91 115.67 1fqw h THR 71 Ca 0.29 -0.26 -0.03 0.00 0.77 0.00 0.00 66.41 67.18 1fqw h THR 71 Cb -0.06 0.25 -0.02 0.00 -1.74 0.00 0.00 68.15 66.58 1fqw h THR 71 CO -0.08 0.14 0.17 0.40 0.37 0.00 0.00 175.52 176.52 1fqw h ILE 72 N 0.77 1.21 0.00 3.11 2.04 -0.38 -2.54 117.51 121.71 1fqw h ILE 72 Ca 0.25 -0.66 -0.05 0.00 1.00 0.00 0.00 64.86 65.40 1fqw h ILE 72 Cb 0.01 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 1fqw h ILE 72 CO -0.10 0.24 -0.26 0.03 0.00 0.00 0.00 178.15 178.07 1fqw h ARG 73 N 0.58 0.00 -0.00 2.37 2.47 -0.89 -2.67 114.38 116.25 1fqw h ARG 73 Ca 0.15 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.87 1fqw h ARG 73 Cb 0.21 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.53 1fqw h ARG 73 CO -0.01 0.26 -0.41 0.00 0.56 0.00 0.00 179.97 180.37 1fqw n ALA 74 N -2.30 3.36 -2.62 0.04 0.00 -0.51 -4.58 120.51 113.89 1fqw n ALA 74 Ca -0.01 -0.35 -0.41 0.00 0.00 0.00 0.00 53.44 52.67 1fqw n ALA 74 Cb 0.39 -1.15 -0.06 0.00 0.00 0.00 0.00 19.45 18.63 1fqw n ALA 74 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1fqw s ASP 75 N -2.87 6.62 0.55 0.00 2.15 -0.97 -4.95 116.67 117.20 1fqw s ASP 75 Ca 0.15 0.71 0.26 0.00 0.43 0.00 0.00 52.55 54.10 1fqw s ASP 75 Cb 0.18 -2.36 1.47 0.00 -0.30 0.00 0.00 42.92 41.91 1fqw s ASP 75 CO 0.64 -0.45 2.02 1.23 -0.17 0.00 0.00 175.17 178.44 1fqw h GLY 76 N 9.10 0.00 1.74 2.66 0.00 -1.88 0.69 103.07 115.39 1fqw h GLY 76 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.07 1fqw h GLY 76 CO 0.81 0.00 -0.22 0.00 0.00 0.00 0.00 176.54 177.13 1fqw h ALA 77 N 1.73 0.87 0.00 3.60 0.00 -1.92 -3.37 119.26 120.16 1fqw h ALA 77 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1fqw h ALA 77 Cb 0.81 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1fqw h ALA 77 CO -0.00 0.00 0.00 -1.33 0.00 0.00 0.00 179.25 177.92 1fqw n MET 78 N -2.51 -0.11 -0.45 0.00 2.81 -0.44 -4.92 117.12 111.51 1fqw n MET 78 Ca 0.04 -0.32 0.38 0.00 -1.81 0.00 0.00 57.70 55.99 1fqw n MET 78 Cb 0.47 -0.70 0.70 0.00 -0.71 0.00 0.00 33.22 32.98 1fqw n MET 78 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1fqw h SER 79 N 0.00 0.15 -0.30 7.83 4.64 0.56 -0.98 113.55 125.45 1fqw h SER 79 Ca 0.00 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1fqw h SER 79 Cb 0.39 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 1fqw h SER 79 CO 0.00 -0.04 0.00 0.00 -0.87 0.00 0.00 176.83 175.92 1fqw n ALA 80 N -2.68 2.40 -1.85 5.18 0.00 -1.26 -4.50 120.51 117.80 1fqw n ALA 80 Ca 0.33 -0.93 -0.42 0.00 0.00 0.00 0.00 53.44 52.42 1fqw n ALA 80 Cb 1.42 -0.75 -0.03 0.00 0.00 0.00 0.00 19.45 20.09 1fqw n ALA 80 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1fqw s LEU 81 N -1.41 4.37 0.26 0.00 2.96 -0.37 -4.94 118.68 119.55 1fqw s LEU 81 Ca 0.33 2.73 -0.31 0.00 -0.22 0.00 0.00 54.13 56.66 1fqw s LEU 81 Cb 0.20 -3.60 -0.11 0.00 0.50 0.00 0.00 46.19 43.17 1fqw s LEU 81 CO 0.27 -0.86 1.61 -2.84 -1.32 0.00 0.00 176.35 173.21 1fqw s PRO 82 N 0.77 4.14 -0.11 0.98 0.02 -1.26 -4.92 135.00 134.62 1fqw s PRO 82 Ca 0.69 2.54 -0.01 0.00 0.02 0.00 0.00 61.00 64.24 1fqw s PRO 82 Cb -0.46 -3.05 0.03 0.00 0.02 0.00 0.00 34.50 31.05 1fqw s PRO 82 CO 0.35 -0.64 -0.01 0.08 -0.33 0.00 0.00 177.00 176.45 1fqw s VAL 83 N 0.33 0.58 -0.24 3.83 1.01 -1.26 -0.71 120.40 123.95 1fqw s VAL 83 Ca 0.66 -0.15 -0.06 0.00 0.00 0.00 0.00 61.98 62.43 1fqw s VAL 83 Cb -0.47 -0.79 -0.02 0.00 0.00 0.00 0.00 36.38 35.10 1fqw s VAL 83 CO 0.43 0.18 0.03 -0.22 0.00 0.00 0.00 175.10 175.51 1fqw s LEU 84 N 1.87 3.26 0.20 3.92 2.96 0.31 -0.35 118.68 130.85 1fqw s LEU 84 Ca 0.03 -0.30 -0.28 0.00 -0.22 0.00 0.00 54.13 53.36 1fqw s LEU 84 Cb -0.13 -1.85 -0.08 0.00 0.50 0.00 0.00 46.19 44.62 1fqw s LEU 84 CO -0.07 -0.04 0.88 -0.04 -1.32 0.00 0.00 176.35 175.77 1fqw s MET 85 N 1.56 4.74 -0.29 1.98 -1.94 -0.88 -0.28 119.30 124.18 1fqw s MET 85 Ca 0.06 1.36 -0.03 0.00 -1.71 0.00 0.00 55.69 55.37 1fqw s MET 85 Cb -0.15 -3.28 0.10 0.00 2.01 0.00 0.00 34.83 33.51 1fqw s MET 85 CO 0.01 0.51 0.12 0.08 -0.01 0.00 0.00 175.02 175.73 1fqw s VAL 86 N -1.05 0.12 0.13 -6.03 1.01 -0.25 -0.96 120.40 113.37 1fqw s VAL 86 Ca 0.40 -0.88 -0.12 0.00 0.00 0.00 0.00 61.98 61.38 1fqw s VAL 86 Cb -0.25 -1.11 0.01 0.00 0.00 0.00 0.00 36.38 35.03 1fqw s VAL 86 CO 0.30 -0.71 0.32 0.28 0.00 0.00 0.00 175.10 175.28 1fqw s THR 87 N 2.00 0.09 -0.30 3.92 -1.32 -0.59 -3.79 115.64 115.65 1fqw s THR 87 Ca 0.09 -0.99 0.19 0.00 -1.21 0.00 0.00 61.69 59.78 1fqw s THR 87 Cb -0.16 -1.42 0.21 0.00 -1.51 0.00 0.00 72.50 69.62 1fqw s THR 87 CO -0.34 -0.41 1.54 0.00 -2.21 0.00 0.00 174.62 173.20 1fqw h ALA 88 N 2.52 0.85 -2.27 11.08 0.00 -1.87 0.19 119.26 129.76 1fqw h ALA 88 Ca -0.33 -0.21 -0.55 0.00 0.00 0.00 0.00 54.91 53.82 1fqw h ALA 88 Cb 1.23 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 19.00 1fqw h ALA 88 CO 0.49 0.29 1.28 -1.91 0.00 0.00 0.00 179.25 179.41 1fqw n GLU 89 N -3.16 2.68 0.00 0.00 4.07 -1.26 -4.73 120.64 118.24 1fqw n GLU 89 Ca 0.03 0.95 0.00 0.00 -0.06 0.00 0.00 57.16 58.08 1fqw n GLU 89 Cb 0.62 -3.04 0.00 0.00 -0.06 0.00 0.00 31.44 28.96 1fqw n GLU 89 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1fqw n ALA 90 N 8.31 1.79 -1.85 4.31 0.00 -1.26 -4.87 120.51 126.93 1fqw n ALA 90 Ca 0.22 -0.49 -0.41 0.00 0.00 0.00 0.00 53.44 52.75 1fqw n ALA 90 Cb 0.41 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.84 1fqw n ALA 90 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1fqw s LYS 91 N -0.19 4.25 0.56 0.00 1.02 -1.26 -4.84 119.74 119.28 1fqw s LYS 91 Ca 0.00 2.33 0.24 0.00 0.02 0.00 0.00 55.97 58.56 1fqw s LYS 91 Cb 0.00 -3.09 1.56 0.00 -0.52 0.00 0.00 37.83 35.78 1fqw s LYS 91 CO 0.00 -0.42 2.19 1.57 -0.92 0.00 0.00 175.35 177.77 1fqw h LYS 92 N 4.73 0.00 -0.13 1.68 2.10 -1.99 -0.39 116.57 122.57 1fqw h LYS 92 Ca -0.47 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.10 1fqw h LYS 92 Cb 1.22 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.54 1fqw h LYS 92 CO 0.76 0.00 -0.29 0.93 -2.00 0.00 0.00 179.45 178.85 1fqw h GLU 93 N 0.00 0.24 0.13 0.07 4.39 -1.99 -0.93 114.58 116.50 1fqw h GLU 93 Ca 0.02 -0.09 -0.31 0.00 0.34 0.00 0.00 59.36 59.32 1fqw h GLU 93 Cb 0.09 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.72 1fqw h GLU 93 CO -0.00 0.52 -1.52 -0.91 -1.16 0.00 0.00 179.01 175.93 1fqw h ASN 94 N 0.22 0.44 -0.23 1.42 2.35 -1.48 -1.80 115.58 116.49 1fqw h ASN 94 Ca 0.03 -0.58 0.02 0.00 -0.55 0.00 0.00 56.30 55.22 1fqw h ASN 94 Cb 0.63 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.83 1fqw h ASN 94 CO 0.05 1.48 0.09 0.40 -1.65 0.00 0.00 177.43 177.80 1fqw h ILE 95 N 0.08 0.96 -0.41 2.81 5.03 -1.08 -0.34 117.51 124.55 1fqw h ILE 95 Ca -0.24 -0.07 -0.01 0.00 -0.12 0.00 0.00 64.86 64.42 1fqw h ILE 95 Cb 2.03 0.74 -0.02 0.00 -3.03 0.00 0.00 36.82 36.53 1fqw h ILE 95 CO 0.17 0.04 0.23 0.40 -0.68 0.00 0.00 178.15 178.31 1fqw h ILE 96 N 0.21 1.15 -0.77 -0.67 2.04 -1.25 -2.30 117.51 115.91 1fqw h ILE 96 Ca 0.10 -0.37 0.06 0.00 1.00 0.00 0.00 64.86 65.65 1fqw h ILE 96 Cb 0.05 0.64 -0.06 0.00 -0.74 0.00 0.00 36.82 36.71 1fqw h ILE 96 CO -0.09 0.15 0.45 0.00 0.00 0.00 0.00 178.15 178.67 1fqw h ALA 97 N 1.09 1.06 -0.49 1.87 0.00 -0.84 0.10 119.26 122.05 1fqw h ALA 97 Ca 0.15 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 1fqw h ALA 97 Cb 0.04 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1fqw h ALA 97 CO -0.02 0.15 -0.05 0.00 0.00 0.00 0.00 179.25 179.32 1fqw h ALA 98 N 1.39 0.66 -0.44 0.00 0.00 -0.86 -0.78 119.26 119.24 1fqw h ALA 98 Ca 0.34 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 1fqw h ALA 98 Cb 0.20 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1fqw h ALA 98 CO -0.19 0.52 -0.07 0.00 0.00 0.00 0.00 179.25 179.51 1fqw h ALA 99 N 0.91 0.60 -0.08 0.00 0.00 -1.01 -0.72 119.26 118.95 1fqw h ALA 99 Ca 0.13 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1fqw h ALA 99 Cb 0.59 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1fqw h ALA 99 CO 0.04 0.45 -0.13 1.96 0.00 0.00 0.00 179.25 181.56 1fqw h GLN 100 N 0.65 0.13 0.00 0.00 1.08 -0.68 -1.32 115.11 114.97 1fqw h GLN 100 Ca 0.11 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.29 1fqw h GLN 100 Cb 0.59 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.00 1fqw h GLN 100 CO 0.04 0.27 0.00 0.00 -0.95 0.00 0.00 178.83 178.18 1fqw n ALA 101 N -2.50 2.51 0.00 3.87 0.00 -0.31 -4.89 120.51 119.20 1fqw n ALA 101 Ca -0.01 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1fqw n ALA 101 Cb 0.24 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.21 1fqw n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fqw n GLY 102 N 1.04 1.18 3.72 0.00 0.00 -0.50 -4.57 105.19 106.06 1fqw n GLY 102 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1fqw n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fqw n ALA 103 N -1.28 1.55 0.06 4.61 0.00 -0.32 -4.84 120.51 120.29 1fqw n ALA 103 Ca 0.00 0.35 -0.05 0.00 0.00 0.00 0.00 53.44 53.74 1fqw n ALA 103 Cb 0.00 -2.29 -0.10 0.00 0.00 0.00 0.00 19.45 17.06 1fqw n ALA 103 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1fqw h SER 104 N 2.60 0.00 -5.11 0.00 0.02 -1.04 -3.45 113.55 106.57 1fqw h SER 104 Ca -0.47 0.00 0.11 0.00 -0.84 0.00 0.00 61.79 60.58 1fqw h SER 104 Cb 1.27 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.75 1fqw h SER 104 CO 0.63 0.90 0.33 -0.83 -1.14 0.00 0.00 176.83 176.71 1fqw s GLY 105 N -4.72 -0.16 -0.12 -3.77 0.00 -1.17 -4.89 107.32 92.49 1fqw s GLY 105 Ca 0.01 -0.11 -0.06 0.00 0.00 0.00 0.00 44.72 44.56 1fqw s GLY 105 CO 0.81 -0.04 0.28 -0.47 0.00 0.00 0.00 173.10 173.67 1fqw s TYR 106 N -3.67 -0.39 -0.04 1.90 5.04 -1.26 -2.08 117.35 116.85 1fqw s TYR 106 Ca 0.11 0.89 0.03 0.00 -2.44 0.00 0.00 57.07 55.66 1fqw s TYR 106 Cb -0.04 0.09 0.01 0.00 0.35 0.00 0.00 41.96 42.36 1fqw s TYR 106 CO 0.04 -0.26 -0.12 0.08 -1.34 0.00 0.00 175.55 173.95 1fqw s VAL 107 N 1.32 1.08 -0.11 3.14 1.01 -0.13 -4.96 120.40 121.74 1fqw s VAL 107 Ca -0.09 -0.49 -0.06 0.00 0.00 0.00 0.00 61.98 61.33 1fqw s VAL 107 Cb -0.10 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.28 1fqw s VAL 107 CO -0.09 0.33 0.11 0.68 0.00 0.00 0.00 175.10 176.13 1fqw s VAL 108 N 0.34 5.29 0.16 2.92 -7.23 -1.26 -1.54 120.40 119.08 1fqw s VAL 108 Ca -0.08 0.13 -0.18 0.00 -1.81 0.00 0.00 61.98 60.04 1fqw s VAL 108 Cb -0.12 -3.29 -0.07 0.00 0.56 0.00 0.00 36.38 33.45 1fqw s VAL 108 CO 0.02 0.62 0.64 -0.54 -0.31 0.00 0.00 175.10 175.53 1fqw s LYS 109 N -0.99 4.18 0.45 4.82 1.02 0.66 -3.83 119.74 126.06 1fqw s LYS 109 Ca 0.15 0.75 -0.21 0.00 0.02 0.00 0.00 55.97 56.67 1fqw s LYS 109 Cb -0.12 -3.00 -0.09 0.00 -0.52 0.00 0.00 37.83 34.10 1fqw s LYS 109 CO 0.04 0.48 1.03 -1.25 -0.92 0.00 0.00 175.35 174.73 1fqw s PRO 110 N -1.73 3.97 0.05 -1.68 0.04 -1.26 -4.65 135.00 129.75 1fqw s PRO 110 Ca 0.38 1.37 0.04 0.00 0.04 0.00 0.00 61.00 62.82 1fqw s PRO 110 Cb -0.17 -2.24 -0.03 0.00 0.04 0.00 0.00 34.50 32.10 1fqw s PRO 110 CO 0.20 -0.29 -0.11 -0.59 0.04 0.00 0.00 177.00 176.26 1fqw s PHE 111 N -1.92 0.96 0.53 0.56 -0.12 -1.25 -5.15 117.98 111.60 1fqw s PHE 111 Ca 0.64 -0.46 -0.03 0.00 -0.05 0.00 0.00 56.93 57.02 1fqw s PHE 111 Cb -0.17 -0.56 0.00 0.00 -0.63 0.00 0.00 43.02 41.67 1fqw s PHE 111 CO 0.21 -0.01 0.81 0.95 -0.05 0.00 0.00 175.22 177.13 1fqw s THR 112 N -1.26 3.75 0.23 -4.49 -4.23 -1.26 -4.96 115.64 103.42 1fqw s THR 112 Ca -0.05 -0.22 -0.07 0.00 -1.18 0.00 0.00 61.69 60.17 1fqw s THR 112 Cb -0.10 -3.45 0.20 0.00 1.34 0.00 0.00 72.50 70.50 1fqw s THR 112 CO 0.01 -0.40 1.85 0.00 -0.54 0.00 0.00 174.62 175.55 1fqw h ALA 113 N 0.06 1.11 -0.73 3.99 0.00 -2.01 -2.38 119.26 119.31 1fqw h ALA 113 Ca -0.46 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 1fqw h ALA 113 Cb 1.26 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 1fqw h ALA 113 CO 0.59 0.28 0.43 0.00 0.00 0.00 0.00 179.25 180.54 1fqw h ALA 114 N 1.38 0.93 -0.51 0.00 0.00 -1.99 -1.46 119.26 117.61 1fqw h ALA 114 Ca 0.35 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 1fqw h ALA 114 Cb 0.11 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1fqw h ALA 114 CO -0.15 0.42 0.13 1.15 0.00 0.00 0.00 179.25 180.80 1fqw h THR 115 N 1.00 1.24 -0.78 0.00 2.02 -1.82 -1.56 112.91 113.01 1fqw h THR 115 Ca 0.26 -0.84 -0.03 0.00 0.77 0.00 0.00 66.41 66.57 1fqw h THR 115 Cb -0.01 0.81 -0.04 0.00 -1.74 0.00 0.00 68.15 67.18 1fqw h THR 115 CO -0.05 0.30 0.38 0.25 0.37 0.00 0.00 175.52 176.78 1fqw h LEU 116 N 0.70 1.01 -0.69 2.58 5.85 -1.14 -0.42 115.31 123.21 1fqw h LEU 116 Ca 0.16 -0.11 -0.10 0.00 0.84 0.00 0.00 57.88 58.67 1fqw h LEU 116 Cb 0.32 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 1fqw h LEU 116 CO 0.00 0.85 -0.09 -0.08 -0.34 0.00 0.00 178.44 178.78 1fqw h GLU 117 N 1.11 0.92 0.33 1.25 4.81 -1.03 -1.73 114.58 120.24 1fqw h GLU 117 Ca 0.27 -0.32 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 1fqw h GLU 117 Cb 0.10 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.42 1fqw h GLU 117 CO -0.04 0.97 -0.16 0.93 -0.73 0.00 0.00 179.01 179.99 1fqw h GLU 118 N 0.83 -0.42 -0.82 1.92 5.08 -0.80 -2.10 114.58 118.26 1fqw h GLU 118 Ca 0.14 0.03 0.09 0.00 -1.00 0.00 0.00 59.36 58.61 1fqw h GLU 118 Cb 0.62 0.10 -0.07 0.00 0.50 0.00 0.00 28.75 29.90 1fqw h GLU 118 CO 0.04 -0.20 0.48 0.87 -1.00 0.00 0.00 179.01 179.20 1fqw h LYS 119 N -0.57 0.79 0.11 2.33 1.79 -1.02 0.52 116.57 120.52 1fqw h LYS 119 Ca -0.04 -0.05 -0.01 0.00 -2.18 0.00 0.00 60.65 58.37 1fqw h LYS 119 Cb 0.42 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 30.89 1fqw h LYS 119 CO 0.07 0.53 -0.05 -0.07 -1.08 0.00 0.00 179.45 178.85 1fqw h LEU 120 N 0.82 -0.12 -1.39 2.94 4.07 -1.27 -2.65 115.31 117.72 1fqw h LEU 120 Ca 0.39 -0.21 -0.00 0.00 0.08 0.00 0.00 57.88 58.13 1fqw h LEU 120 Cb 0.32 0.03 -0.03 0.00 1.08 0.00 0.00 40.66 42.06 1fqw h LEU 120 CO -0.23 0.15 0.33 0.78 -1.08 0.00 0.00 178.44 178.39 1fqw h ASN 121 N -0.39 0.66 -0.82 -0.43 2.35 -1.02 0.12 115.58 116.05 1fqw h ASN 121 Ca -0.01 -0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 55.67 1fqw h ASN 121 Cb 0.33 -0.17 -0.04 0.00 0.05 0.00 0.00 38.32 38.49 1fqw h ASN 121 CO 0.02 0.51 0.37 0.50 -1.65 0.00 0.00 177.43 177.19 1fqw h LYS 122 N 0.76 1.19 -0.35 0.81 3.64 -0.85 0.23 116.57 121.99 1fqw h LYS 122 Ca 0.20 -0.19 -0.16 0.00 -1.27 0.00 0.00 60.65 59.23 1fqw h LYS 122 Cb -0.02 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 31.58 1fqw h LYS 122 CO -0.04 0.93 -0.42 0.82 -2.27 0.00 0.00 179.45 178.48 1fqw h ILE 123 N 1.17 1.27 -0.66 2.00 2.04 -0.86 -1.67 117.51 120.80 1fqw h ILE 123 Ca 0.28 -1.59 -0.05 0.00 1.00 0.00 0.00 64.86 64.49 1fqw h ILE 123 Cb 0.15 1.46 -0.03 0.00 -0.74 0.00 0.00 36.82 37.66 1fqw h ILE 123 CO -0.03 0.53 0.21 -0.26 0.00 0.00 0.00 178.15 178.60 1fqw h PHE 124 N 0.71 1.04 0.87 1.37 0.04 -0.45 -2.06 116.94 118.46 1fqw h PHE 124 Ca 0.05 -0.09 -0.04 0.00 2.80 0.00 0.00 57.97 60.69 1fqw h PHE 124 Cb 1.02 -0.31 0.01 0.00 2.20 0.00 0.00 35.95 38.87 1fqw h PHE 124 CO 0.07 0.82 -0.42 1.49 -0.60 0.00 0.00 178.31 179.67 1fqw h GLU 125 N 0.98 -1.13 -0.01 1.51 4.57 -0.32 0.30 114.58 120.47 1fqw h GLU 125 Ca 0.22 0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.48 1fqw h GLU 125 Cb 0.27 0.26 -0.00 0.00 -0.16 0.00 0.00 28.75 29.11 1fqw h GLU 125 CO -0.01 -0.76 0.02 -0.22 -1.18 0.00 0.00 179.01 176.86 1fqw h LYS 126 N -1.18 0.00 -0.18 1.92 3.64 -1.25 -0.31 116.57 119.22 1fqw h LYS 126 Ca -0.12 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1fqw h LYS 126 Cb 0.90 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.72 1fqw h LYS 126 CO 0.19 0.00 0.00 1.28 -2.27 0.00 0.00 179.45 178.65 1fqw n LEU 127 N -3.63 3.19 -3.73 5.20 4.77 -0.78 -4.97 117.00 117.05 1fqw n LEU 127 Ca -0.03 -1.20 -0.25 0.00 -0.03 0.00 0.00 56.01 54.51 1fqw n LEU 127 Cb 0.10 -0.10 0.05 0.00 -2.33 0.00 0.00 43.42 41.14 1fqw n LEU 127 CO 0.25 0.60 0.09 0.61 -1.33 0.00 0.00 177.39 177.61 1fqw n GLY 128 N 1.42 -0.43 0.53 -0.72 0.00 -0.13 -5.05 105.19 100.81 1fqw n GLY 128 Ca 0.16 0.18 0.14 0.00 0.00 0.00 0.00 46.02 46.50 1fqw n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35