#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1flq s VAL 2 N 0.00 4.84 0.57 3.15 1.01 -1.26 -1.24 120.40 127.46 1flq s VAL 2 Ca 0.00 -0.74 -0.17 0.00 0.00 0.00 0.00 61.98 61.07 1flq s VAL 2 Cb 0.00 -3.68 -0.05 0.00 0.00 0.00 0.00 36.38 32.65 1flq s VAL 2 CO 0.00 -0.23 1.05 -0.36 0.00 0.00 0.00 175.10 175.56 1flq s PHE 3 N 1.61 3.00 0.39 5.22 0.40 0.15 -4.99 117.98 123.76 1flq s PHE 3 Ca 0.03 1.52 -0.04 0.00 -0.60 0.00 0.00 56.93 57.84 1flq s PHE 3 Cb -0.19 -3.02 -0.04 0.00 0.51 0.00 0.00 43.02 40.28 1flq s PHE 3 CO 0.08 -1.03 0.66 0.20 0.70 0.00 0.00 175.22 175.83 1flq s GLY 4 N -2.61 1.61 0.11 4.36 0.00 -1.26 -4.86 107.32 104.68 1flq s GLY 4 Ca 0.64 -0.58 -0.30 0.00 0.00 0.00 0.00 44.72 44.48 1flq s GLY 4 CO 0.33 -0.46 1.60 -0.09 0.00 0.00 0.00 173.10 174.48 1flq h ARG 5 N 0.88 -0.60 -0.07 2.90 2.43 -1.97 -1.22 114.38 116.74 1flq h ARG 5 Ca -0.48 0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 58.62 1flq h ARG 5 Cb 1.20 0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.87 1flq h ARG 5 CO 0.63 -0.40 -0.48 0.00 -1.51 0.00 0.00 179.97 178.21 1flq h GLU 7 N 0.13 0.80 -0.31 0.00 4.81 -1.91 -1.64 114.58 116.47 1flq h GLU 7 Ca 0.01 -0.12 -0.08 0.00 -0.13 0.00 0.00 59.36 59.04 1flq h GLU 7 Cb 0.91 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.13 1flq h GLU 7 CO 0.07 0.66 -0.11 1.25 -0.73 0.00 0.00 179.01 180.15 1flq h LEU 8 N 0.74 0.63 -0.79 1.64 5.85 -1.06 -1.87 115.31 120.45 1flq h LEU 8 Ca 0.19 -0.39 0.11 0.00 0.84 0.00 0.00 57.88 58.64 1flq h LEU 8 Cb 0.13 -0.17 -0.08 0.00 0.37 0.00 0.00 40.66 40.90 1flq h LEU 8 CO -0.02 0.87 0.41 0.00 -0.34 0.00 0.00 178.44 179.36 1flq h ALA 9 N 0.78 1.14 -0.35 1.25 0.00 -1.18 0.56 119.26 121.45 1flq h ALA 9 Ca 0.07 0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.91 1flq h ALA 9 Cb 0.61 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1flq h ALA 9 CO 0.04 -0.04 -0.32 0.00 0.00 0.00 0.00 179.25 178.93 1flq h ALA 10 N 1.49 0.51 -0.44 0.00 0.00 -1.15 -1.15 119.26 118.52 1flq h ALA 10 Ca 0.40 -0.42 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 1flq h ALA 10 Cb 0.48 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1flq h ALA 10 CO -0.30 0.56 -0.19 0.00 0.00 0.00 0.00 179.25 179.32 1flq h ALA 11 N 0.75 0.83 -0.60 0.00 0.00 -0.82 -1.29 119.26 118.13 1flq h ALA 11 Ca 0.06 -0.37 -0.10 0.00 0.00 0.00 0.00 54.91 54.50 1flq h ALA 11 Cb 0.90 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1flq h ALA 11 CO 0.08 0.65 -0.03 0.52 0.00 0.00 0.00 179.25 180.47 1flq h MET 12 N 0.76 1.08 -0.17 0.00 2.86 -0.84 -1.86 114.93 116.76 1flq h MET 12 Ca 0.11 -0.36 -0.01 0.00 -2.06 0.00 0.00 59.70 57.38 1flq h MET 12 Cb 0.73 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.29 1flq h MET 12 CO 0.06 1.06 0.06 -0.22 1.06 0.00 0.00 176.91 178.93 1flq h LYS 13 N 0.98 0.26 -0.09 1.72 3.64 -1.04 -1.48 116.57 120.56 1flq h LYS 13 Ca 0.17 -0.06 0.03 0.00 -1.27 0.00 0.00 60.65 59.52 1flq h LYS 13 Cb 0.59 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.37 1flq h LYS 13 CO 0.04 0.37 0.07 -0.09 -2.27 0.00 0.00 179.45 177.57 1flq h ARG 14 N 0.10 0.00 -0.50 1.90 2.43 -1.16 0.13 114.38 117.28 1flq h ARG 14 Ca 0.06 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1flq h ARG 14 Cb 0.22 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 1flq h ARG 14 CO -0.00 0.00 0.00 0.72 -1.51 0.00 0.00 179.97 179.18 1flq n HIS 15 N -4.29 0.67 -1.79 2.20 8.25 -0.71 -4.93 115.22 114.61 1flq n HIS 15 Ca -0.01 -0.28 -0.06 0.00 -0.26 0.00 0.00 57.72 57.11 1flq n HIS 15 Cb 0.18 -0.09 -0.01 0.00 1.12 0.00 0.00 29.99 31.19 1flq n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1flq n GLY 16 N 0.87 0.37 0.09 -1.41 0.00 0.46 -4.97 105.19 100.59 1flq n GLY 16 Ca 0.13 -0.68 -0.05 0.00 0.00 0.00 0.00 46.02 45.42 1flq n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1flq h LEU 17 N 0.00 0.00 -9.03 0.99 3.38 -1.44 -3.40 115.31 105.82 1flq h LEU 17 Ca -0.14 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.22 1flq h LEU 17 Cb 0.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.62 1flq h LEU 17 CO 0.18 0.84 1.31 -0.67 0.09 0.00 0.00 178.44 180.18 1flq n ASP 18 N -3.07 3.17 -0.62 -0.43 2.03 -1.26 -1.02 116.55 115.35 1flq n ASP 18 Ca -0.10 0.60 -0.08 0.00 0.52 0.00 0.00 54.79 55.73 1flq n ASP 18 Cb 0.94 -1.42 -0.03 0.00 -0.72 0.00 0.00 41.12 39.89 1flq n ASP 18 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1flq n ASN 19 N 9.05 -4.78 -4.69 1.67 4.13 0.47 -4.87 115.26 116.23 1flq n ASN 19 Ca 0.29 0.20 -0.42 0.00 1.68 0.00 0.00 54.58 56.33 1flq n ASN 19 Cb 0.34 -2.99 -0.03 0.00 -1.54 0.00 0.00 39.78 35.56 1flq n ASN 19 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1flq s TYR 20 N -2.03 2.54 -1.67 3.10 5.04 -0.19 -1.48 117.35 122.66 1flq s TYR 20 Ca 0.00 0.41 0.00 0.00 -2.44 0.00 0.00 57.07 55.04 1flq s TYR 20 Cb 0.00 -3.92 0.00 0.00 0.35 0.00 0.00 41.96 38.39 1flq s TYR 20 CO 0.00 -3.64 0.00 0.54 -1.34 0.00 0.00 175.55 171.11 1flq n ARG 21 N 5.41 -1.78 -0.51 4.97 5.12 -1.26 -2.09 116.66 126.53 1flq n ARG 21 Ca 0.15 0.94 0.00 0.00 -1.93 0.00 0.00 57.85 57.02 1flq n ARG 21 Cb 0.41 -5.59 0.00 0.00 -1.16 0.00 0.00 32.46 26.12 1flq n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1flq n GLY 22 N -0.96 1.10 3.51 -0.13 0.00 -0.55 -5.03 105.19 103.14 1flq n GLY 22 Ca -0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 1flq n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1flq s TYR 23 N -3.18 3.22 0.91 1.61 2.02 -0.89 -4.88 117.35 116.16 1flq s TYR 23 Ca 0.00 -0.27 -0.10 0.00 -0.37 0.00 0.00 57.07 56.33 1flq s TYR 23 Cb 0.00 -2.63 0.14 0.00 -0.40 0.00 0.00 41.96 39.07 1flq s TYR 23 CO 0.00 -0.50 1.13 -1.54 -1.57 0.00 0.00 175.55 173.08 1flq s SER 24 N 1.73 3.00 0.29 2.29 1.04 -1.26 -0.40 113.70 120.39 1flq s SER 24 Ca 0.09 2.10 0.03 0.00 0.48 0.00 0.00 55.95 58.65 1flq s SER 24 Cb -0.17 -2.54 0.61 0.00 0.10 0.00 0.00 66.02 64.02 1flq s SER 24 CO 0.11 -3.04 1.81 0.25 0.98 0.00 0.00 173.24 173.36 1flq h LEU 25 N -1.82 0.87 -1.71 2.42 5.85 -1.90 -0.58 115.31 118.44 1flq h LEU 25 Ca -0.44 0.07 0.14 0.00 0.84 0.00 0.00 57.88 58.48 1flq h LEU 25 Cb 1.27 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 42.16 1flq h LEU 25 CO 0.43 0.41 0.44 1.23 -0.34 0.00 0.00 178.44 180.62 1flq h GLY 26 N 0.91 0.48 0.99 3.75 0.00 -1.91 -1.50 103.07 105.79 1flq h GLY 26 Ca 0.52 -0.13 -0.05 0.00 0.00 0.00 0.00 47.33 47.67 1flq h GLY 26 CO -0.31 0.06 0.12 3.43 0.00 0.00 0.00 176.54 179.83 1flq h ASN 27 N 0.30 0.81 -0.29 0.19 2.35 -1.34 -0.97 115.58 116.62 1flq h ASN 27 Ca 0.31 -0.24 -0.15 0.00 -0.55 0.00 0.00 56.30 55.67 1flq h ASN 27 Cb 0.80 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.95 1flq h ASN 27 CO -0.08 0.84 -0.38 -0.50 -1.65 0.00 0.00 177.43 175.66 1flq h TRP 28 N 0.74 1.00 -0.21 1.19 4.06 -1.37 -0.91 115.95 120.44 1flq h TRP 28 Ca 0.16 -0.29 -0.19 0.00 2.06 0.00 0.00 58.89 60.63 1flq h TRP 28 Cb 0.36 -0.21 0.00 0.00 -1.00 0.00 0.00 29.16 28.30 1flq h TRP 28 CO 0.02 1.08 -0.63 0.28 -3.56 0.00 0.00 178.44 175.63 1flq h VAL 29 N 0.69 1.29 -0.33 1.49 2.07 -1.31 -2.16 116.25 117.99 1flq h VAL 29 Ca 0.06 -1.85 -0.02 0.00 0.82 0.00 0.00 66.70 65.70 1flq h VAL 29 Cb 0.95 1.80 -0.01 0.00 -1.52 0.00 0.00 31.29 32.51 1flq h VAL 29 CO 0.09 0.59 0.11 0.00 0.02 0.00 0.00 177.57 178.38 1flq h ALA 31 N 0.95 0.72 -0.61 0.00 0.00 -1.12 -2.40 119.26 116.80 1flq h ALA 31 Ca 0.11 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1flq h ALA 31 Cb 0.22 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1flq h ALA 31 CO -0.01 0.08 0.28 0.00 0.00 0.00 0.00 179.25 179.61 1flq h ALA 32 N 1.24 0.79 0.06 0.00 0.00 -1.25 0.95 119.26 121.04 1flq h ALA 32 Ca 0.22 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1flq h ALA 32 Cb -0.01 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.49 1flq h ALA 32 CO -0.08 0.37 -0.37 -0.22 0.00 0.00 0.00 179.25 178.94 1flq h LYS 33 N 0.84 -0.54 0.00 0.00 1.63 -1.03 -0.49 116.57 116.98 1flq h LYS 33 Ca 0.21 0.04 0.00 0.00 -0.85 0.00 0.00 60.65 60.04 1flq h LYS 33 Cb 0.15 0.12 0.00 0.00 -0.60 0.00 0.00 32.23 31.90 1flq h LYS 33 CO -0.02 -0.36 0.00 0.74 -3.45 0.00 0.00 179.45 176.36 1flq h PHE 34 N -0.56 0.00 0.10 1.91 0.04 -1.34 0.16 116.94 117.24 1flq h PHE 34 Ca 0.04 0.00 -0.20 0.00 2.80 0.00 0.00 57.97 60.61 1flq h PHE 34 Cb 0.62 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.77 1flq h PHE 34 CO -0.36 0.00 -0.98 0.93 -0.60 0.00 0.00 178.31 177.30 1flq h GLU 35 N 0.00 0.21 0.00 1.51 4.39 -0.61 -3.43 114.58 116.65 1flq h GLU 35 Ca 0.00 -0.35 0.00 0.00 0.34 0.00 0.00 59.36 59.35 1flq h GLU 35 Cb 0.87 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.65 1flq h GLU 35 CO 0.00 1.17 0.00 -1.13 -1.16 0.00 0.00 179.01 177.89 1flq n SER 36 N -4.14 0.25 -2.15 1.42 3.41 -0.25 -4.84 113.62 107.31 1flq n SER 36 Ca -0.20 -0.63 -0.16 0.00 -0.26 0.00 0.00 58.87 57.62 1flq n SER 36 Cb 0.79 0.23 0.02 0.00 -0.26 0.00 0.00 64.21 64.99 1flq n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1flq n ASN 37 N -0.23 -4.87 -0.73 4.04 5.15 0.55 -2.35 115.26 116.82 1flq n ASN 37 Ca 0.00 -0.16 -0.09 0.00 -0.60 0.00 0.00 54.58 53.72 1flq n ASN 37 Cb 0.07 -3.79 -0.04 0.00 -0.53 0.00 0.00 39.78 35.49 1flq n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1flq n PHE 38 N -4.14 0.00 -3.60 1.20 3.72 -1.18 -4.85 117.46 108.61 1flq n PHE 38 Ca -0.11 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 56.90 1flq n PHE 38 Cb 0.60 -2.04 -0.11 0.00 -0.94 0.00 0.00 39.48 36.99 1flq n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1flq s ASN 39 N -2.64 5.80 0.52 4.37 2.47 -0.99 -0.67 114.94 123.80 1flq s ASN 39 Ca 0.00 -0.39 0.26 0.00 0.42 0.00 0.00 52.86 53.14 1flq s ASN 39 Cb 0.00 -2.07 1.44 0.00 -1.45 0.00 0.00 41.25 39.17 1flq s ASN 39 CO 0.00 -0.18 2.09 0.71 -3.72 0.00 0.00 177.10 176.00 1flq h THR 40 N 5.54 0.65 -0.04 -5.21 1.35 -1.48 -2.87 112.91 110.85 1flq h THR 40 Ca -0.33 -0.45 0.00 0.00 -0.55 0.00 0.00 66.41 65.08 1flq h THR 40 Cb 1.16 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 68.86 1flq h THR 40 CO 0.61 0.11 0.00 0.00 -0.25 0.00 0.00 175.52 175.99 1flq n GLN 41 N -3.79 1.55 -1.99 4.72 6.02 -1.26 -3.92 117.38 118.72 1flq n GLN 41 Ca -0.02 -0.80 -0.41 0.00 -0.01 0.00 0.00 57.00 55.76 1flq n GLN 41 Cb 0.21 -1.46 -0.02 0.00 1.02 0.00 0.00 30.24 29.99 1flq n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1flq s ALA 42 N -1.97 3.59 0.02 -1.58 0.00 -1.08 -4.82 121.76 115.92 1flq s ALA 42 Ca 0.38 1.37 0.00 0.00 0.00 0.00 0.00 51.96 53.71 1flq s ALA 42 Cb 0.20 -3.55 -0.02 0.00 0.00 0.00 0.00 23.12 19.76 1flq s ALA 42 CO 0.32 -0.78 -0.04 0.95 0.00 0.00 0.00 175.76 176.22 1flq s THR 43 N -0.51 0.18 -0.13 0.00 -4.23 -1.26 -0.79 115.64 108.89 1flq s THR 43 Ca 0.56 -0.84 -0.07 0.00 -1.18 0.00 0.00 61.69 60.16 1flq s THR 43 Cb -0.42 -0.30 0.05 0.00 1.34 0.00 0.00 72.50 73.17 1flq s THR 43 CO 0.50 -0.42 0.31 0.20 -0.54 0.00 0.00 174.62 174.67 1flq s ASN 44 N -1.31 -0.29 0.07 3.99 0.01 -0.75 -4.97 114.94 111.69 1flq s ASN 44 Ca -0.13 0.69 -0.15 0.00 -0.71 0.00 0.00 52.86 52.55 1flq s ASN 44 Cb -0.09 0.61 -0.06 0.00 0.41 0.00 0.00 41.25 42.12 1flq s ASN 44 CO -0.01 -0.19 0.49 -0.60 -1.51 0.00 0.00 177.10 175.29 1flq s ARG 45 N 1.49 3.99 0.37 -0.60 3.52 -1.26 0.01 118.95 126.46 1flq s ARG 45 Ca -0.08 0.49 0.07 0.00 -0.13 0.00 0.00 55.73 56.08 1flq s ARG 45 Cb -0.10 -3.11 -0.01 0.00 -1.56 0.00 0.00 34.95 30.17 1flq s ARG 45 CO -0.10 0.60 0.46 -0.80 -0.81 0.00 0.00 175.30 174.65 1flq s ASN 46 N -1.37 5.68 0.33 -2.12 0.01 0.20 -4.97 114.94 112.70 1flq s ASN 46 Ca 0.30 -0.36 0.06 0.00 -0.71 0.00 0.00 52.86 52.15 1flq s ASN 46 Cb -0.17 -0.95 0.59 0.00 0.41 0.00 0.00 41.25 41.13 1flq s ASN 46 CO 0.17 -0.54 1.82 0.71 -1.51 0.00 0.00 177.10 177.74 1flq h THR 47 N 0.88 1.23 0.00 1.60 1.35 -1.99 -1.81 112.91 114.17 1flq h THR 47 Ca -0.43 -1.05 0.00 0.00 -0.55 0.00 0.00 66.41 64.38 1flq h THR 47 Cb 1.26 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 68.96 1flq h THR 47 CO 0.52 0.33 0.00 -0.90 -0.25 0.00 0.00 175.52 175.22 1flq n ASP 48 N -4.19 0.00 0.00 5.36 5.75 -1.26 -4.83 116.55 117.38 1flq n ASP 48 Ca -0.00 -0.67 0.00 0.00 -0.01 0.00 0.00 54.79 54.11 1flq n ASP 48 Cb 0.34 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.43 1flq n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1flq n GLY 49 N 0.10 1.68 3.88 6.12 0.00 -0.68 -5.03 105.19 111.25 1flq n GLY 49 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 1flq n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1flq s SER 50 N -2.72 3.56 0.03 1.61 1.04 -1.26 -4.80 113.70 111.16 1flq s SER 50 Ca 0.00 0.59 0.01 0.00 0.48 0.00 0.00 55.95 57.03 1flq s SER 50 Cb 0.00 -0.89 -0.02 0.00 0.10 0.00 0.00 66.02 65.21 1flq s SER 50 CO 0.00 -2.48 -0.05 -0.89 0.98 0.00 0.00 173.24 170.80 1flq s THR 51 N -3.63 0.33 -0.14 2.02 2.01 -1.26 -0.62 115.64 114.35 1flq s THR 51 Ca 0.68 -0.84 -0.07 0.00 0.31 0.00 0.00 61.69 61.77 1flq s THR 51 Cb -0.09 -0.41 -0.04 0.00 0.01 0.00 0.00 72.50 71.97 1flq s THR 51 CO 0.52 -0.34 0.10 -1.81 -0.69 0.00 0.00 174.62 172.40 1flq s ASP 52 N -1.25 6.06 -0.05 3.53 1.01 0.10 -1.22 116.67 124.85 1flq s ASP 52 Ca -0.10 0.31 0.05 0.00 0.71 0.00 0.00 52.55 53.52 1flq s ASP 52 Cb -0.08 -1.96 -0.01 0.00 1.01 0.00 0.00 42.92 41.88 1flq s ASP 52 CO -0.00 0.33 -0.19 -0.31 0.21 0.00 0.00 175.17 175.20 1flq s TYR 53 N -0.53 1.90 0.00 4.23 1.51 0.14 -1.82 117.35 122.78 1flq s TYR 53 Ca 0.12 -0.54 0.00 0.00 -1.01 0.00 0.00 57.07 55.63 1flq s TYR 53 Cb -0.12 -1.27 0.00 0.00 -0.11 0.00 0.00 41.96 40.47 1flq s TYR 53 CO 0.02 -0.17 0.00 0.41 -1.11 0.00 0.00 175.55 174.70 1flq n GLY 54 N 3.06 -2.15 0.40 0.71 0.00 0.03 -1.54 105.19 105.70 1flq n GLY 54 Ca -0.18 -1.46 0.21 0.00 0.00 0.00 0.00 46.02 44.59 1flq n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1flq h ILE 55 N -0.00 0.58 -0.38 -0.61 6.09 -1.68 -0.83 117.51 120.68 1flq h ILE 55 Ca 0.00 -0.14 0.00 0.00 -1.37 0.00 0.00 64.86 63.35 1flq h ILE 55 Cb 0.00 0.12 0.00 0.00 0.47 0.00 0.00 36.82 37.41 1flq h ILE 55 CO 0.00 0.08 0.00 0.18 -3.07 0.00 0.00 178.15 175.34 1flq n LEU 56 N -4.59 3.22 -3.85 2.19 4.77 -1.26 -3.97 117.00 113.50 1flq n LEU 56 Ca 0.23 -2.15 -0.31 0.00 -0.03 0.00 0.00 56.01 53.75 1flq n LEU 56 Cb 0.81 -0.31 0.01 0.00 -2.33 0.00 0.00 43.42 41.60 1flq n LEU 56 CO 0.27 0.75 -0.16 0.00 -1.33 0.00 0.00 177.39 176.92 1flq n GLN 57 N 0.50 -1.93 -2.50 3.23 1.13 -0.32 -4.91 117.38 112.58 1flq n GLN 57 Ca 0.15 0.38 -0.42 0.00 -1.94 0.00 0.00 57.00 55.17 1flq n GLN 57 Cb 0.52 -4.08 -0.03 0.00 0.11 0.00 0.00 30.24 26.76 1flq n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1flq s ILE 58 N -3.69 4.26 0.17 5.09 1.01 -0.59 -4.36 121.20 123.10 1flq s ILE 58 Ca 0.28 1.62 -0.30 0.00 0.00 0.00 0.00 60.65 62.25 1flq s ILE 58 Cb -0.11 -4.04 -0.07 0.00 0.01 0.00 0.00 42.46 38.24 1flq s ILE 58 CO 0.89 0.12 1.09 0.21 0.00 0.00 0.00 174.94 177.25 1flq s ASN 59 N 1.06 7.29 0.26 3.58 3.84 -1.26 -0.68 114.94 129.02 1flq s ASN 59 Ca 0.57 2.06 0.25 0.00 0.21 0.00 0.00 52.86 55.95 1flq s ASN 59 Cb -0.27 -2.60 0.89 0.00 -0.55 0.00 0.00 41.25 38.72 1flq s ASN 59 CO 0.29 -0.21 1.75 0.77 -2.79 0.00 0.00 177.10 176.91 1flq h SER 60 N 5.18 0.00 0.21 -4.21 4.64 -1.40 -2.14 113.55 115.82 1flq h SER 60 Ca -0.44 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.74 1flq h SER 60 Cb 1.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 1flq h SER 60 CO 0.72 0.00 -0.51 -0.09 -0.87 0.00 0.00 176.83 176.08 1flq h ARG 61 N 0.00 0.35 0.00 4.77 2.43 -1.84 -3.39 114.38 116.70 1flq h ARG 61 Ca 0.00 -0.20 -0.05 0.00 -0.81 0.00 0.00 59.98 58.92 1flq h ARG 61 Cb 0.57 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.13 1flq h ARG 61 CO 0.00 0.78 -1.18 0.91 -1.51 0.00 0.00 179.97 178.97 1flq n TRP 62 N -3.95 0.00 -0.10 2.20 7.02 -1.21 -0.67 117.44 120.73 1flq n TRP 62 Ca -0.02 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.36 1flq n TRP 62 Cb 0.56 -0.13 -0.15 0.00 -2.42 0.00 0.00 31.31 29.18 1flq n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1flq n TRP 63 N -2.31 0.00 -4.10 -5.99 7.02 -0.81 -0.12 117.44 111.13 1flq n TRP 63 Ca -0.05 0.00 -0.08 0.00 -1.02 0.00 0.00 57.50 56.36 1flq n TRP 63 Cb 0.57 -0.94 -0.10 0.00 -2.42 0.00 0.00 31.31 28.42 1flq n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1flq s ASN 65 N -2.95 5.53 0.00 0.00 2.47 -0.60 -4.46 114.94 114.94 1flq s ASN 65 Ca 0.11 -0.06 0.08 0.00 0.42 0.00 0.00 52.86 53.40 1flq s ASN 65 Cb 0.08 -1.99 0.13 0.00 -1.45 0.00 0.00 41.25 38.01 1flq s ASN 65 CO -0.07 0.03 0.93 -0.90 -3.72 0.00 0.00 177.10 173.37 1flq n ASP 66 N 4.49 2.07 0.00 -4.21 5.68 -1.26 -0.77 116.55 122.55 1flq n ASP 66 Ca -0.16 -1.61 0.00 0.00 -0.50 0.00 0.00 54.79 52.52 1flq n ASP 66 Cb 0.52 -0.07 0.00 0.00 -1.14 0.00 0.00 41.12 40.43 1flq n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1flq n GLY 67 N 0.33 0.53 0.34 6.12 0.00 -1.26 -4.78 105.19 106.47 1flq n GLY 67 Ca 0.06 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.12 1flq n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1flq n ARG 68 N -1.90 0.47 -3.96 1.61 1.85 -1.26 -4.97 116.66 108.50 1flq n ARG 68 Ca 0.00 -1.58 -0.32 0.00 -1.00 0.00 0.00 57.85 54.96 1flq n ARG 68 Cb 0.03 -0.87 -0.14 0.00 -1.05 0.00 0.00 32.46 30.43 1flq n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1flq s THR 69 N -1.06 2.55 0.13 8.89 2.01 -1.26 -4.92 115.64 121.99 1flq s THR 69 Ca 0.12 -2.61 -0.33 0.00 0.31 0.00 0.00 61.69 59.18 1flq s THR 69 Cb 0.10 -2.82 -0.13 0.00 0.01 0.00 0.00 72.50 69.66 1flq s THR 69 CO 0.01 -0.68 1.68 -2.65 -0.69 0.00 0.00 174.62 172.29 1flq n PRO 70 N 3.95 2.35 -0.88 4.92 -0.02 -1.26 -1.70 135.00 142.36 1flq n PRO 70 Ca 0.04 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.37 1flq n PRO 70 Cb 0.39 -2.66 0.00 0.00 -0.02 0.00 0.00 33.50 31.21 1flq n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1flq n GLY 71 N 3.74 0.53 3.75 -1.23 0.00 -1.26 -5.01 105.19 105.71 1flq n GLY 71 Ca 0.18 -0.29 -0.40 0.00 0.00 0.00 0.00 46.02 45.50 1flq n GLY 71 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1flq n SER 72 N 0.53 3.18 0.02 1.61 2.88 -0.69 -4.93 113.62 116.22 1flq n SER 72 Ca 0.00 1.10 0.11 0.00 -1.33 0.00 0.00 58.87 58.75 1flq n SER 72 Cb 0.00 -1.59 -0.06 0.00 -0.75 0.00 0.00 64.21 61.81 1flq n SER 72 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1flq n ARG 73 N -0.25 0.37 -4.11 -1.46 1.74 0.16 -4.98 116.66 108.12 1flq n ARG 73 Ca 0.06 -0.05 -0.31 0.00 -0.77 0.00 0.00 57.85 56.78 1flq n ARG 73 Cb 0.41 -1.57 -0.05 0.00 -1.02 0.00 0.00 32.46 30.23 1flq n ARG 73 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1flq n ASN 74 N -2.02 -0.50 0.28 0.55 5.15 -1.00 -4.87 115.26 112.85 1flq n ASN 74 Ca 0.00 -1.17 0.14 0.00 -0.60 0.00 0.00 54.58 52.96 1flq n ASN 74 Cb 0.46 -2.25 0.82 0.00 -0.53 0.00 0.00 39.78 38.28 1flq n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1flq h LEU 75 N -1.92 0.00 -1.41 1.20 3.38 -0.50 -0.98 115.31 115.08 1flq h LEU 75 Ca -0.66 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.31 1flq h LEU 75 Cb 1.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.14 1flq h LEU 75 CO 0.64 0.06 0.00 0.00 0.09 0.00 0.00 178.44 179.23 1flq n ASN 77 N 0.68 -4.69 -3.65 0.00 3.02 -0.37 -4.99 115.26 105.25 1flq n ASN 77 Ca 0.17 -1.16 -0.14 0.00 -0.03 0.00 0.00 54.58 53.42 1flq n ASN 77 Cb 0.45 -2.35 -0.07 0.00 -0.61 0.00 0.00 39.78 37.20 1flq n ASN 77 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1flq s ILE 78 N -3.46 0.04 0.35 2.41 -4.36 -1.26 -5.07 121.20 109.84 1flq s ILE 78 Ca 0.45 -0.32 -0.26 0.00 -0.26 0.00 0.00 60.65 60.26 1flq s ILE 78 Cb -0.22 -0.85 -0.09 0.00 1.25 0.00 0.00 42.46 42.55 1flq s ILE 78 CO 0.92 -0.18 1.02 -2.16 0.24 0.00 0.00 174.94 174.78 1flq s PRO 79 N -1.76 4.41 0.54 0.37 0.04 -1.26 -1.56 135.00 135.78 1flq s PRO 79 Ca -0.10 1.49 0.25 0.00 0.04 0.00 0.00 61.00 62.68 1flq s PRO 79 Cb -0.02 -2.76 1.42 0.00 0.04 0.00 0.00 34.50 33.18 1flq s PRO 79 CO 0.03 0.08 2.02 0.00 0.04 0.00 0.00 177.00 179.18 1flq h SER 81 N 0.00 0.00 0.32 0.00 4.64 -1.91 -0.77 113.55 115.83 1flq h SER 81 Ca 0.20 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.50 1flq h SER 81 Cb 0.84 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.93 1flq h SER 81 CO -0.00 0.02 -0.10 0.00 -0.87 0.00 0.00 176.83 175.87 1flq h ALA 82 N 1.98 1.31 0.00 5.18 0.00 -1.65 -2.03 119.26 124.06 1flq h ALA 82 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1flq h ALA 82 Cb 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1flq h ALA 82 CO 0.00 0.13 0.00 1.28 0.00 0.00 0.00 179.25 180.66 1flq n LEU 83 N -3.67 0.00 -0.92 0.00 4.77 -0.29 -3.25 117.00 113.64 1flq n LEU 83 Ca -0.02 0.34 0.11 0.00 -0.03 0.00 0.00 56.01 56.41 1flq n LEU 83 Cb 0.22 -0.34 0.12 0.00 -2.33 0.00 0.00 43.42 41.09 1flq n LEU 83 CO 0.30 -0.05 0.62 0.18 -1.33 0.00 0.00 177.39 177.11 1flq n LEU 84 N -1.34 2.95 -4.71 2.23 4.77 -0.76 -4.15 117.00 115.98 1flq n LEU 84 Ca 0.11 -1.15 -0.33 0.00 -0.03 0.00 0.00 56.01 54.60 1flq n LEU 84 Cb 0.23 -0.07 0.11 0.00 -2.33 0.00 0.00 43.42 41.37 1flq n LEU 84 CO 0.21 0.55 0.76 -0.55 -1.33 0.00 0.00 177.39 177.02 1flq s SER 85 N -1.68 3.87 0.51 -1.43 0.15 -1.20 -4.08 113.70 109.85 1flq s SER 85 Ca 0.28 2.26 0.30 0.00 0.70 0.00 0.00 55.95 59.49 1flq s SER 85 Cb 0.19 -2.58 1.03 0.00 -1.71 0.00 0.00 66.02 62.95 1flq s SER 85 CO 0.27 -2.48 1.86 0.77 1.20 0.00 0.00 173.24 174.87 1flq h SER 86 N -0.81 0.00 -3.45 5.45 4.64 -1.93 -3.41 113.55 114.04 1flq h SER 86 Ca -0.46 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.25 1flq h SER 86 Cb 1.28 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.26 1flq h SER 86 CO 0.48 0.02 0.23 -0.62 -0.87 0.00 0.00 176.83 176.06 1flq s ASP 87 N -5.88 6.61 0.00 4.97 -1.08 -1.26 -4.95 116.67 115.07 1flq s ASP 87 Ca 0.03 0.72 0.31 0.00 -0.52 0.00 0.00 52.55 53.08 1flq s ASP 87 Cb 0.08 -2.36 1.70 0.00 -1.46 0.00 0.00 42.92 40.89 1flq s ASP 87 CO 0.59 -0.43 2.12 2.30 0.52 0.00 0.00 175.17 180.27 1flq n ILE 88 N 5.26 0.00 -0.24 4.11 -5.35 -1.26 -4.40 119.36 117.48 1flq n ILE 88 Ca 0.01 -0.03 -0.02 0.00 -0.27 0.00 0.00 62.75 62.44 1flq n ILE 88 Cb 0.49 -0.36 0.04 0.00 -1.74 0.00 0.00 39.64 38.07 1flq n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1flq h THR 89 N 0.29 0.18 -0.67 7.28 2.02 -1.95 0.70 112.91 120.76 1flq h THR 89 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 1flq h THR 89 Cb 0.13 0.18 -0.03 0.00 -1.74 0.00 0.00 68.15 66.69 1flq h THR 89 CO 0.00 0.00 0.37 0.00 0.37 0.00 0.00 175.52 176.26 1flq h ALA 90 N 1.34 0.86 -0.51 6.16 0.00 -1.87 -0.17 119.26 125.07 1flq h ALA 90 Ca 0.30 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1flq h ALA 90 Cb 0.56 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1flq h ALA 90 CO -0.75 0.37 0.22 0.77 0.00 0.00 0.00 179.25 179.87 1flq h SER 91 N 0.92 0.68 -0.35 0.00 0.02 -1.49 -1.75 113.55 111.58 1flq h SER 91 Ca 0.24 -0.15 -0.03 0.00 -0.84 0.00 0.00 61.79 61.01 1flq h SER 91 Cb 0.03 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.38 1flq h SER 91 CO -0.04 0.64 0.12 0.58 -1.14 0.00 0.00 176.83 176.99 1flq h VAL 92 N 0.68 1.21 -0.85 2.27 2.07 -0.50 0.08 116.25 121.20 1flq h VAL 92 Ca 0.17 -0.67 -0.03 0.00 0.82 0.00 0.00 66.70 67.00 1flq h VAL 92 Cb 0.16 0.98 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 1flq h VAL 92 CO -0.02 0.23 0.41 0.78 0.02 0.00 0.00 177.57 178.99 1flq h ASN 93 N 0.42 1.11 -0.31 0.57 -0.26 -0.90 -1.36 115.58 114.85 1flq h ASN 93 Ca 0.11 -0.14 -0.12 0.00 -0.56 0.00 0.00 56.30 55.60 1flq h ASN 93 Cb 0.24 -0.28 -0.01 0.00 -1.06 0.00 0.00 38.32 37.21 1flq h ASN 93 CO -0.00 0.93 -0.28 0.00 -1.06 0.00 0.00 177.43 177.02 1flq h ALA 95 N 0.73 1.64 -0.84 0.00 0.00 -0.55 -1.45 119.26 118.78 1flq h ALA 95 Ca 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1flq h ALA 95 Cb 0.84 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 1flq h ALA 95 CO 0.07 0.31 0.53 0.87 0.00 0.00 0.00 179.25 181.02 1flq h LYS 96 N 0.76 1.12 -0.27 0.00 1.57 -1.16 0.64 116.57 119.22 1flq h LYS 96 Ca 0.24 -0.09 -0.05 0.00 -1.87 0.00 0.00 60.65 58.88 1flq h LYS 96 Cb 0.03 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.08 1flq h LYS 96 CO -0.06 0.77 -0.02 0.87 -0.57 0.00 0.00 179.45 180.44 1flq h LYS 97 N 1.14 0.49 0.15 3.15 1.57 -1.22 -2.59 116.57 119.27 1flq h LYS 97 Ca 0.30 -0.17 0.01 0.00 -1.87 0.00 0.00 60.65 58.93 1flq h LYS 97 Cb -0.08 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 1flq h LYS 97 CO -0.06 0.67 -0.22 0.82 -0.57 0.00 0.00 179.45 180.09 1flq h ILE 98 N 0.27 0.52 0.00 1.86 2.04 -1.00 -2.23 117.51 118.96 1flq h ILE 98 Ca 0.08 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.93 1flq h ILE 98 Cb 0.46 0.52 -0.00 0.00 -0.74 0.00 0.00 36.82 37.06 1flq h ILE 98 CO 0.02 0.00 -0.01 1.62 0.00 0.00 0.00 178.15 179.78 1flq h VAL 99 N -0.42 0.06 -0.01 1.67 3.04 -0.90 -0.35 116.25 119.35 1flq h VAL 99 Ca 0.02 -0.24 0.00 0.00 -1.01 0.00 0.00 66.70 65.46 1flq h VAL 99 Cb 0.43 1.23 0.00 0.00 -2.01 0.00 0.00 31.29 30.93 1flq h VAL 99 CO -0.10 0.01 -0.20 -1.20 -1.01 0.00 0.00 177.57 175.07 1flq n SER 100 N -3.15 0.79 0.00 3.17 7.64 -0.89 -3.52 113.62 117.66 1flq n SER 100 Ca -0.02 -0.74 0.03 0.00 1.01 0.00 0.00 58.87 59.16 1flq n SER 100 Cb 0.17 0.05 0.17 0.00 -1.01 0.00 0.00 64.21 63.60 1flq n SER 100 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1flq n ASP 101 N -0.79 0.00 0.00 6.43 2.03 -0.14 -4.83 116.55 119.25 1flq n ASP 101 Ca 0.13 0.23 0.00 0.00 0.52 0.00 0.00 54.79 55.67 1flq n ASP 101 Cb 0.32 -0.32 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1flq n ASP 101 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1flq n GLY 102 N -0.71 2.00 0.84 0.27 0.00 -1.26 -4.90 105.19 101.44 1flq n GLY 102 Ca 0.03 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.15 1flq n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1flq n ASN 103 N 0.00 2.78 0.00 1.61 3.02 -1.26 -5.08 115.26 116.34 1flq n ASN 103 Ca 0.00 -1.85 0.00 0.00 -0.03 0.00 0.00 54.58 52.70 1flq n ASN 103 Cb 0.00 -0.05 0.00 0.00 -0.61 0.00 0.00 39.78 39.12 1flq n ASN 103 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1flq n GLY 104 N 1.15 1.51 0.00 7.41 0.00 -1.23 -2.52 105.19 111.50 1flq n GLY 104 Ca 0.13 -0.54 0.12 0.00 0.00 0.00 0.00 46.02 45.72 1flq n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1flq n MET 105 N 3.39 0.74 0.09 1.61 2.81 -1.26 -3.12 117.12 121.38 1flq n MET 105 Ca 0.00 0.00 0.10 0.00 -1.81 0.00 0.00 57.70 55.99 1flq n MET 105 Cb 0.00 -1.49 0.42 0.00 -0.71 0.00 0.00 33.22 31.44 1flq n MET 105 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1flq n ASN 106 N -0.99 0.43 0.28 7.83 3.02 -1.05 -1.41 115.26 123.37 1flq n ASN 106 Ca 0.17 0.62 0.14 0.00 -0.03 0.00 0.00 54.58 55.49 1flq n ASN 106 Cb 0.08 -0.71 0.82 0.00 -0.61 0.00 0.00 39.78 39.36 1flq n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1flq h ALA 107 N 2.27 1.37 -2.51 5.41 0.00 -1.73 -3.37 119.26 120.71 1flq h ALA 107 Ca 0.00 -0.06 -0.72 0.00 0.00 0.00 0.00 54.91 54.12 1flq h ALA 107 Cb 0.26 -0.01 -0.23 0.00 0.00 0.00 0.00 17.79 17.81 1flq h ALA 107 CO 0.00 0.08 -0.41 -1.58 0.00 0.00 0.00 179.25 177.34 1flq s TRP 108 N -4.37 3.25 0.40 0.00 0.51 -0.50 -4.96 118.94 113.27 1flq s TRP 108 Ca -0.04 -0.91 0.10 0.00 -2.12 0.00 0.00 56.10 53.13 1flq s TRP 108 Cb 0.14 -2.84 0.88 0.00 -0.81 0.00 0.00 33.47 30.85 1flq s TRP 108 CO 0.56 -0.71 1.97 -0.24 -0.51 0.00 0.00 176.95 178.02 1flq h VAL 109 N 5.78 0.96 0.00 4.03 3.04 -1.85 0.28 116.25 128.50 1flq h VAL 109 Ca -0.27 -0.20 -0.11 0.00 -1.01 0.00 0.00 66.70 65.12 1flq h VAL 109 Cb 1.11 0.33 -0.02 0.00 -2.01 0.00 0.00 31.29 30.70 1flq h VAL 109 CO 0.78 0.11 -0.51 0.00 -1.01 0.00 0.00 177.57 176.94 1flq h ALA 110 N 1.66 1.11 -0.01 3.17 0.00 -1.93 -0.57 119.26 122.69 1flq h ALA 110 Ca 0.29 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1flq h ALA 110 Cb 0.38 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1flq h ALA 110 CO -0.09 0.64 -0.02 2.35 0.00 0.00 0.00 179.25 182.12 1flq h TRP 111 N 0.00 0.05 -0.47 0.00 7.01 -1.29 0.25 115.95 121.50 1flq h TRP 111 Ca -0.01 -0.02 0.06 0.00 2.11 0.00 0.00 58.89 61.04 1flq h TRP 111 Cb 0.93 -0.01 -0.06 0.00 -2.10 0.00 0.00 29.16 27.92 1flq h TRP 111 CO 0.00 0.58 0.16 -0.09 -2.79 0.00 0.00 178.44 176.30 1flq h ARG 112 N -0.50 0.32 0.00 2.65 2.43 -1.13 0.23 114.38 118.38 1flq h ARG 112 Ca 0.00 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.11 1flq h ARG 112 Cb 0.58 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.05 1flq h ARG 112 CO 0.01 0.21 -0.59 -0.91 -1.51 0.00 0.00 179.97 177.17 1flq h ASN 113 N 0.33 0.00 0.00 -3.80 2.35 -1.10 -3.36 115.58 109.99 1flq h ASN 113 Ca 0.23 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 1flq h ASN 113 Cb 0.24 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.61 1flq h ASN 113 CO -0.24 0.16 -0.03 0.54 -1.65 0.00 0.00 177.43 176.21 1flq n ARG 114 N -2.96 4.06 -0.02 0.81 1.74 0.07 -4.88 116.66 115.49 1flq n ARG 114 Ca 0.01 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.05 1flq n ARG 114 Cb 0.61 -0.32 -0.02 0.00 -1.02 0.00 0.00 32.46 31.71 1flq n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1flq n LYS 116 N -2.66 1.60 -2.78 0.00 4.81 0.61 -1.88 118.16 117.86 1flq n LYS 116 Ca -0.08 0.57 -0.22 0.00 -0.87 0.00 0.00 58.31 57.71 1flq n LYS 116 Cb 0.58 -2.24 0.02 0.00 0.02 0.00 0.00 35.03 33.41 1flq n LYS 116 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1flq n ALA 117 N 2.62 -0.84 -2.60 3.14 0.00 -1.26 -4.97 120.51 116.59 1flq n ALA 117 Ca 0.17 0.25 -0.27 0.00 0.00 0.00 0.00 53.44 53.58 1flq n ALA 117 Cb 0.25 -3.26 -0.11 0.00 0.00 0.00 0.00 19.45 16.32 1flq n ALA 117 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1flq s THR 118 N -3.13 1.80 -1.23 0.00 -4.23 -0.79 -5.03 115.64 103.03 1flq s THR 118 Ca 0.19 -2.00 -0.20 0.00 -1.18 0.00 0.00 61.69 58.50 1flq s THR 118 Cb -0.08 -2.90 0.04 0.00 1.34 0.00 0.00 72.50 70.90 1flq s THR 118 CO 0.23 0.00 1.73 -0.62 -0.54 0.00 0.00 174.62 175.42 1flq s ASP 119 N -3.69 6.50 0.25 3.99 2.15 -1.26 -4.76 116.67 119.86 1flq s ASP 119 Ca 0.33 -2.15 0.23 0.00 0.43 0.00 0.00 52.55 51.38 1flq s ASP 119 Cb 0.09 -2.58 0.98 0.00 -0.30 0.00 0.00 42.92 41.11 1flq s ASP 119 CO 0.16 -1.52 1.69 1.33 -0.17 0.00 0.00 175.17 176.66 1flq n VAL 120 N 6.70 0.87 0.25 1.11 0.24 -1.26 -2.46 118.33 123.78 1flq n VAL 120 Ca 0.46 0.29 0.08 0.00 -2.04 0.00 0.00 64.34 63.13 1flq n VAL 120 Cb 0.47 -1.22 0.63 0.00 -1.47 0.00 0.00 33.84 32.25 1flq n VAL 120 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 1flq h GLN 121 N 0.00 0.00 -0.17 7.34 7.50 -1.89 -1.65 115.11 126.24 1flq h GLN 121 Ca 0.00 0.00 0.05 0.00 0.50 0.00 0.00 58.65 59.20 1flq h GLN 121 Cb 0.31 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.84 1flq h GLN 121 CO 0.00 0.08 0.14 0.00 -1.50 0.00 0.00 178.83 177.55 1flq h ALA 122 N 1.92 2.02 0.00 3.87 0.00 -1.89 -1.96 119.26 123.21 1flq h ALA 122 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1flq h ALA 122 Cb 0.16 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1flq h ALA 122 CO 0.01 -0.22 0.00 -1.49 0.00 0.00 0.00 179.25 177.55 1flq h TRP 123 N 0.00 0.00 -0.03 0.00 4.06 -1.52 -2.66 115.95 115.80 1flq h TRP 123 Ca 0.08 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.03 1flq h TRP 123 Cb 0.35 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.51 1flq h TRP 123 CO 0.00 0.00 0.00 0.44 -3.56 0.00 0.00 178.44 175.32 1flq n ILE 124 N -3.08 0.12 -1.71 1.49 -5.35 -0.77 -4.83 119.36 105.23 1flq n ILE 124 Ca -0.00 -0.56 -0.43 0.00 -0.27 0.00 0.00 62.75 61.48 1flq n ILE 124 Cb 0.25 1.06 -0.02 0.00 -1.74 0.00 0.00 39.64 39.19 1flq n ILE 124 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 1flq n ARG 125 N 0.34 2.39 -0.62 6.28 0.63 -1.00 -1.96 116.66 122.72 1flq n ARG 125 Ca 0.04 0.85 0.00 0.00 -0.92 0.00 0.00 57.85 57.83 1flq n ARG 125 Cb 0.19 -2.59 0.00 0.00 0.45 0.00 0.00 32.46 30.51 1flq n ARG 125 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1flq n GLY 126 N 2.43 1.34 3.82 5.14 0.00 -1.26 -5.03 105.19 111.63 1flq n GLY 126 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 1flq n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1flq s ARG 128 N -1.58 3.14 0.00 0.00 3.52 -1.26 -5.13 118.95 117.63 1flq s ARG 128 Ca 0.35 -0.63 0.07 0.00 -0.13 0.00 0.00 55.73 55.39 1flq s ARG 128 Cb -0.17 -4.21 0.05 0.00 -1.56 0.00 0.00 34.95 29.06 1flq s ARG 128 CO 0.20 -1.93 0.71 1.28 -0.81 0.00 0.00 175.30 174.74