#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1flu s VAL 2 N 0.00 5.27 0.54 3.15 1.01 -1.26 -1.73 120.40 127.38 1flu s VAL 2 Ca 0.00 -0.24 -0.16 0.00 0.00 0.00 0.00 61.98 61.58 1flu s VAL 2 Cb 0.00 -3.71 -0.07 0.00 0.00 0.00 0.00 36.38 32.60 1flu s VAL 2 CO 0.00 -0.02 1.00 -0.36 0.00 0.00 0.00 175.10 175.72 1flu s PHE 3 N 1.72 3.39 0.37 5.22 0.40 0.15 -5.00 117.98 124.23 1flu s PHE 3 Ca 0.06 1.45 -0.04 0.00 -0.60 0.00 0.00 56.93 57.80 1flu s PHE 3 Cb -0.17 -2.82 -0.04 0.00 0.51 0.00 0.00 43.02 40.49 1flu s PHE 3 CO 0.10 -0.55 0.64 0.20 0.70 0.00 0.00 175.22 176.32 1flu s GLY 4 N -3.17 1.65 0.11 4.36 0.00 -1.26 -4.86 107.32 104.16 1flu s GLY 4 Ca 0.59 -0.58 -0.30 0.00 0.00 0.00 0.00 44.72 44.43 1flu s GLY 4 CO 0.35 -0.46 1.60 -0.09 0.00 0.00 0.00 173.10 174.51 1flu h ARG 5 N 1.02 -0.58 -0.08 2.90 2.43 -1.97 -0.94 114.38 117.16 1flu h ARG 5 Ca -0.48 0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 58.62 1flu h ARG 5 Cb 1.20 0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.87 1flu h ARG 5 CO 0.63 -0.39 -0.47 0.00 -1.51 0.00 0.00 179.97 178.23 1flu h GLU 7 N 0.16 0.36 -0.33 0.00 4.81 -1.89 -2.10 114.58 115.60 1flu h GLU 7 Ca 0.01 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.17 1flu h GLU 7 Cb 0.89 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.19 1flu h GLU 7 CO 0.07 0.30 0.07 1.25 -0.73 0.00 0.00 179.01 179.96 1flu h LEU 8 N 0.33 0.51 -0.75 1.64 5.85 -1.06 -2.11 115.31 119.71 1flu h LEU 8 Ca 0.09 -0.24 0.14 0.00 0.84 0.00 0.00 57.88 58.71 1flu h LEU 8 Cb 0.03 -0.13 -0.09 0.00 0.37 0.00 0.00 40.66 40.83 1flu h LEU 8 CO -0.02 0.62 0.31 0.00 -0.34 0.00 0.00 178.44 179.02 1flu h ALA 9 N 0.90 1.06 -0.24 1.25 0.00 -1.20 -0.14 119.26 120.91 1flu h ALA 9 Ca 0.10 0.11 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 1flu h ALA 9 Cb 0.32 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1flu h ALA 9 CO 0.00 -0.19 -0.08 0.00 0.00 0.00 0.00 179.25 178.98 1flu h ALA 10 N 1.54 0.33 -0.68 0.00 0.00 -1.22 -1.14 119.26 118.09 1flu h ALA 10 Ca 0.41 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1flu h ALA 10 Cb 0.61 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1flu h ALA 10 CO -0.39 0.15 0.34 0.00 0.00 0.00 0.00 179.25 179.35 1flu h ALA 11 N 0.74 0.87 -0.37 0.00 0.00 -0.91 0.46 119.26 120.05 1flu h ALA 11 Ca 0.06 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1flu h ALA 11 Cb 0.56 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1flu h ALA 11 CO 0.03 0.42 0.08 0.52 0.00 0.00 0.00 179.25 180.30 1flu h MET 12 N 0.94 0.60 -0.18 0.00 2.86 -0.99 -1.29 114.93 116.87 1flu h MET 12 Ca 0.23 -0.15 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 1flu h MET 12 Cb 0.09 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 1flu h MET 12 CO -0.03 0.64 0.12 -0.22 1.06 0.00 0.00 176.91 178.48 1flu h LYS 13 N 0.45 0.24 -0.51 1.72 3.64 -0.98 -1.29 116.57 119.84 1flu h LYS 13 Ca 0.11 -0.02 0.09 0.00 -1.27 0.00 0.00 60.65 59.57 1flu h LYS 13 Cb 0.32 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.06 1flu h LYS 13 CO 0.00 0.18 0.35 -0.09 -2.27 0.00 0.00 179.45 177.62 1flu h ARG 14 N 0.23 0.28 -0.40 1.90 2.43 -0.78 0.15 114.38 118.19 1flu h ARG 14 Ca 0.07 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1flu h ARG 14 Cb -0.00 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.48 1flu h ARG 14 CO -0.01 0.19 0.00 0.72 -1.51 0.00 0.00 179.97 179.35 1flu n HIS 15 N -4.46 0.52 -1.97 2.20 8.25 -0.50 -4.93 115.22 114.34 1flu n HIS 15 Ca 0.08 -0.24 -0.03 0.00 -0.26 0.00 0.00 57.72 57.27 1flu n HIS 15 Cb 0.37 -0.03 -0.00 0.00 1.12 0.00 0.00 29.99 31.45 1flu n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1flu n GLY 16 N 0.97 0.28 0.10 -1.41 0.00 0.52 -4.98 105.19 100.67 1flu n GLY 16 Ca 0.12 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.36 1flu n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1flu h LEU 17 N 0.00 0.00 -9.11 0.99 3.38 -1.41 -3.40 115.31 105.76 1flu h LEU 17 Ca -0.07 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.31 1flu h LEU 17 Cb 0.97 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.73 1flu h LEU 17 CO 0.09 0.57 1.35 -0.67 0.09 0.00 0.00 178.44 179.87 1flu n ASP 18 N -2.89 3.49 -0.45 -0.43 2.03 -1.26 -1.08 116.55 115.95 1flu n ASP 18 Ca -0.09 0.56 -0.06 0.00 0.52 0.00 0.00 54.79 55.72 1flu n ASP 18 Cb 0.84 -1.49 -0.02 0.00 -0.72 0.00 0.00 41.12 39.72 1flu n ASP 18 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1flu n ASN 19 N 9.47 -4.51 -4.71 1.67 4.13 0.04 -4.90 115.26 116.44 1flu n ASN 19 Ca 0.27 0.14 -0.42 0.00 1.68 0.00 0.00 54.58 56.25 1flu n ASN 19 Cb 0.39 -2.52 -0.03 0.00 -1.54 0.00 0.00 39.78 36.08 1flu n ASN 19 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1flu s TYR 20 N -1.95 2.91 -1.45 3.10 5.04 -0.24 -1.17 117.35 123.58 1flu s TYR 20 Ca 0.00 0.56 0.00 0.00 -2.44 0.00 0.00 57.07 55.19 1flu s TYR 20 Cb 0.00 -3.92 0.00 0.00 0.35 0.00 0.00 41.96 38.39 1flu s TYR 20 CO 0.00 -3.48 0.00 0.54 -1.34 0.00 0.00 175.55 171.27 1flu n ARG 21 N 4.39 -1.82 -0.77 4.97 5.12 -1.26 -1.20 116.66 126.09 1flu n ARG 21 Ca 0.14 0.82 0.00 0.00 -1.93 0.00 0.00 57.85 56.88 1flu n ARG 21 Cb 0.39 -5.35 0.00 0.00 -1.16 0.00 0.00 32.46 26.34 1flu n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1flu n GLY 22 N -0.73 0.68 3.45 -0.13 0.00 -0.32 -5.03 105.19 103.11 1flu n GLY 22 Ca -0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.44 1flu n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1flu s TYR 23 N -2.38 3.20 0.91 1.61 2.02 -0.34 -4.90 117.35 117.48 1flu s TYR 23 Ca 0.00 -0.57 -0.11 0.00 -0.37 0.00 0.00 57.07 56.03 1flu s TYR 23 Cb 0.00 -2.41 0.13 0.00 -0.40 0.00 0.00 41.96 39.28 1flu s TYR 23 CO 0.00 -0.48 1.07 -1.13 -1.57 0.00 0.00 175.55 173.44 1flu n SER 24 N 5.02 0.11 -0.32 2.29 3.41 -1.26 -0.78 113.62 122.09 1flu n SER 24 Ca -0.13 0.42 0.05 0.00 -0.26 0.00 0.00 58.87 58.95 1flu n SER 24 Cb 0.49 -1.45 0.24 0.00 -0.26 0.00 0.00 64.21 63.23 1flu n SER 24 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1flu h LEU 25 N -1.79 0.91 -1.23 1.04 5.85 -1.90 -1.72 115.31 116.46 1flu h LEU 25 Ca -0.43 0.02 0.19 0.00 0.84 0.00 0.00 57.88 58.49 1flu h LEU 25 Cb 1.27 -0.18 -0.09 0.00 0.37 0.00 0.00 40.66 42.04 1flu h LEU 25 CO 0.41 0.56 0.61 1.23 -0.34 0.00 0.00 178.44 180.90 1flu h GLY 26 N 1.01 1.37 0.96 3.75 0.00 -1.91 -1.63 103.07 106.62 1flu h GLY 26 Ca 0.41 -0.30 -0.01 0.00 0.00 0.00 0.00 47.33 47.44 1flu h GLY 26 CO -0.17 -0.01 0.16 3.43 0.00 0.00 0.00 176.54 179.95 1flu h ASN 27 N 0.64 0.35 -0.55 0.19 2.35 -1.54 -0.72 115.58 116.30 1flu h ASN 27 Ca 0.52 -0.08 -0.09 0.00 -0.55 0.00 0.00 56.30 56.09 1flu h ASN 27 Cb 0.95 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 39.21 1flu h ASN 27 CO -0.28 0.34 -0.01 -0.50 -1.65 0.00 0.00 177.43 175.33 1flu h TRP 28 N 0.34 1.09 -0.24 1.19 4.06 -1.39 -1.08 115.95 119.93 1flu h TRP 28 Ca 0.10 -0.18 -0.16 0.00 2.06 0.00 0.00 58.89 60.71 1flu h TRP 28 Cb 0.06 -0.29 0.00 0.00 -1.00 0.00 0.00 29.16 27.94 1flu h TRP 28 CO -0.03 0.97 -0.46 0.28 -3.56 0.00 0.00 178.44 175.64 1flu h VAL 29 N 0.92 1.30 -0.58 1.49 2.07 -1.26 -1.82 116.25 118.38 1flu h VAL 29 Ca 0.16 -1.67 0.01 0.00 0.82 0.00 0.00 66.70 66.02 1flu h VAL 29 Cb 0.54 1.76 -0.03 0.00 -1.52 0.00 0.00 31.29 32.05 1flu h VAL 29 CO 0.03 0.53 0.38 0.00 0.02 0.00 0.00 177.57 178.53 1flu h ALA 31 N 1.21 0.38 -0.85 0.00 0.00 -1.13 -2.02 119.26 116.85 1flu h ALA 31 Ca 0.21 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1flu h ALA 31 Cb -0.09 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 1flu h ALA 31 CO -0.05 -0.09 0.44 0.00 0.00 0.00 0.00 179.25 179.56 1flu h ALA 32 N 1.03 1.18 -0.03 0.00 0.00 -1.07 0.14 119.26 120.52 1flu h ALA 32 Ca 0.11 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.89 1flu h ALA 32 Cb 0.07 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1flu h ALA 32 CO -0.02 0.65 -0.08 -0.22 0.00 0.00 0.00 179.25 179.58 1flu h LYS 33 N 1.20 -0.12 0.00 0.00 1.63 -0.63 -1.38 116.57 117.27 1flu h LYS 33 Ca 0.30 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.11 1flu h LYS 33 Cb 0.06 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 31.72 1flu h LYS 33 CO -0.04 -0.08 -0.23 0.74 -3.45 0.00 0.00 179.45 176.39 1flu h PHE 34 N -0.12 0.00 0.15 1.91 0.04 -1.14 0.11 116.94 117.89 1flu h PHE 34 Ca 0.04 0.00 -0.26 0.00 2.80 0.00 0.00 57.97 60.55 1flu h PHE 34 Cb 0.17 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.34 1flu h PHE 34 CO -0.16 0.00 -1.26 0.93 -0.60 0.00 0.00 178.31 177.22 1flu h GLU 35 N 0.00 0.32 0.00 1.51 4.39 -0.62 -3.43 114.58 116.75 1flu h GLU 35 Ca 0.00 -0.54 0.00 0.00 0.34 0.00 0.00 59.36 59.16 1flu h GLU 35 Cb 0.96 0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.81 1flu h GLU 35 CO 0.00 1.26 0.00 -1.13 -1.16 0.00 0.00 179.01 177.98 1flu n SER 36 N -3.93 0.23 -2.84 1.42 3.41 -0.58 -4.82 113.62 106.50 1flu n SER 36 Ca -0.20 -0.75 -0.20 0.00 -0.26 0.00 0.00 58.87 57.46 1flu n SER 36 Cb 0.92 0.10 0.04 0.00 -0.26 0.00 0.00 64.21 65.01 1flu n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1flu n ASN 37 N -0.10 -5.67 -0.92 4.04 5.15 0.03 -2.32 115.26 115.46 1flu n ASN 37 Ca 0.00 -0.32 -0.12 0.00 -0.60 0.00 0.00 54.58 53.54 1flu n ASN 37 Cb 0.12 -4.44 -0.05 0.00 -0.53 0.00 0.00 39.78 34.88 1flu n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1flu n PHE 38 N -4.47 0.00 -3.61 1.20 3.72 -1.17 -4.87 117.46 108.26 1flu n PHE 38 Ca -0.07 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 56.94 1flu n PHE 38 Cb 0.59 -2.39 -0.11 0.00 -0.94 0.00 0.00 39.48 36.63 1flu n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1flu s ASN 39 N -2.68 5.76 0.53 4.37 2.47 -0.98 -0.67 114.94 123.74 1flu s ASN 39 Ca 0.00 -0.46 0.28 0.00 0.42 0.00 0.00 52.86 53.10 1flu s ASN 39 Cb 0.00 -2.06 1.48 0.00 -1.45 0.00 0.00 41.25 39.22 1flu s ASN 39 CO 0.00 -0.20 2.08 0.71 -3.72 0.00 0.00 177.10 175.97 1flu h THR 40 N 5.58 0.54 -0.20 -5.21 1.35 -1.65 -2.80 112.91 110.53 1flu h THR 40 Ca -0.32 -0.49 0.00 0.00 -0.55 0.00 0.00 66.41 65.05 1flu h THR 40 Cb 1.15 1.32 0.00 0.00 -1.73 0.00 0.00 68.15 68.89 1flu h THR 40 CO 0.62 0.11 0.00 0.00 -0.25 0.00 0.00 175.52 175.99 1flu n GLN 41 N -3.64 1.68 -2.19 4.72 6.02 -1.26 -3.99 117.38 118.73 1flu n GLN 41 Ca -0.02 -1.03 -0.41 0.00 -0.01 0.00 0.00 57.00 55.53 1flu n GLN 41 Cb 0.23 -1.35 -0.03 0.00 1.02 0.00 0.00 30.24 30.11 1flu n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1flu s ALA 42 N -1.75 3.51 0.01 -1.58 0.00 -1.06 -4.83 121.76 116.07 1flu s ALA 42 Ca 0.29 1.16 -0.01 0.00 0.00 0.00 0.00 51.96 53.40 1flu s ALA 42 Cb 0.15 -3.47 -0.01 0.00 0.00 0.00 0.00 23.12 19.79 1flu s ALA 42 CO 0.23 -0.55 0.00 0.95 0.00 0.00 0.00 175.76 176.39 1flu s THR 43 N -0.50 0.09 -0.14 0.00 -4.23 -1.26 -0.81 115.64 108.79 1flu s THR 43 Ca 0.53 -0.76 -0.06 0.00 -1.18 0.00 0.00 61.69 60.21 1flu s THR 43 Cb -0.38 -0.26 0.06 0.00 1.34 0.00 0.00 72.50 73.26 1flu s THR 43 CO 0.44 -0.42 0.31 0.20 -0.54 0.00 0.00 174.62 174.62 1flu s ASN 44 N -1.26 -0.14 0.24 3.99 0.01 -0.86 -4.96 114.94 111.95 1flu s ASN 44 Ca -0.14 0.69 -0.18 0.00 -0.71 0.00 0.00 52.86 52.53 1flu s ASN 44 Cb -0.08 0.70 -0.08 0.00 0.41 0.00 0.00 41.25 42.19 1flu s ASN 44 CO -0.00 -0.20 0.70 -0.60 -1.51 0.00 0.00 177.10 175.48 1flu s ARG 45 N 1.80 4.14 0.30 -0.60 3.52 -1.26 -0.10 118.95 126.75 1flu s ARG 45 Ca -0.05 0.76 0.08 0.00 -0.13 0.00 0.00 55.73 56.38 1flu s ARG 45 Cb -0.11 -2.77 -0.04 0.00 -1.56 0.00 0.00 34.95 30.48 1flu s ARG 45 CO -0.10 0.34 0.17 -0.80 -0.81 0.00 0.00 175.30 174.10 1flu s ASN 46 N -1.84 5.04 0.43 -2.12 0.01 0.10 -4.96 114.94 111.61 1flu s ASN 46 Ca 0.45 -0.54 0.11 0.00 -0.71 0.00 0.00 52.86 52.17 1flu s ASN 46 Cb -0.15 -0.99 0.94 0.00 0.41 0.00 0.00 41.25 41.47 1flu s ASN 46 CO 0.20 -0.19 2.02 0.71 -1.51 0.00 0.00 177.10 178.33 1flu h THR 47 N 1.51 1.11 0.00 1.60 1.35 -1.98 -1.23 112.91 115.27 1flu h THR 47 Ca -0.45 -0.41 0.00 0.00 -0.55 0.00 0.00 66.41 65.00 1flu h THR 47 Cb 1.25 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 68.64 1flu h THR 47 CO 0.61 0.14 0.00 -0.90 -0.25 0.00 0.00 175.52 175.12 1flu n ASP 48 N -4.40 0.00 0.00 5.36 5.75 -1.26 -4.85 116.55 117.15 1flu n ASP 48 Ca -0.00 -0.77 0.00 0.00 -0.01 0.00 0.00 54.79 54.01 1flu n ASP 48 Cb 0.16 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.25 1flu n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1flu n GLY 49 N 0.34 0.96 3.89 6.12 0.00 -0.46 -4.97 105.19 111.06 1flu n GLY 49 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 1flu n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1flu s SER 50 N -2.12 4.56 0.03 1.61 1.04 -1.25 -4.76 113.70 112.81 1flu s SER 50 Ca 0.00 0.86 0.03 0.00 0.48 0.00 0.00 55.95 57.32 1flu s SER 50 Cb 0.00 -1.40 -0.02 0.00 0.10 0.00 0.00 66.02 64.70 1flu s SER 50 CO 0.00 -1.88 -0.10 -0.89 0.98 0.00 0.00 173.24 171.35 1flu s THR 51 N -3.52 0.76 -0.17 2.02 2.01 -1.26 0.03 115.64 115.52 1flu s THR 51 Ca 0.62 -0.80 -0.09 0.00 0.31 0.00 0.00 61.69 61.72 1flu s THR 51 Cb -0.11 -0.72 -0.05 0.00 0.01 0.00 0.00 72.50 71.63 1flu s THR 51 CO 0.50 -0.06 0.14 -1.81 -0.69 0.00 0.00 174.62 172.70 1flu s ASP 52 N -0.96 6.28 -0.03 3.53 1.01 0.85 -1.40 116.67 125.95 1flu s ASP 52 Ca -0.01 0.32 0.07 0.00 0.71 0.00 0.00 52.55 53.63 1flu s ASP 52 Cb -0.07 -2.09 -0.01 0.00 1.01 0.00 0.00 42.92 41.76 1flu s ASP 52 CO 0.01 0.25 -0.23 -0.31 0.21 0.00 0.00 175.17 175.09 1flu s TYR 53 N -0.07 2.18 0.01 4.23 1.51 0.44 -2.02 117.35 123.62 1flu s TYR 53 Ca 0.11 -0.50 0.00 0.00 -1.01 0.00 0.00 57.07 55.66 1flu s TYR 53 Cb -0.11 -1.42 0.00 0.00 -0.11 0.00 0.00 41.96 40.32 1flu s TYR 53 CO 0.00 -0.10 0.00 0.41 -1.11 0.00 0.00 175.55 174.75 1flu n GLY 54 N 2.69 -1.95 0.42 0.71 0.00 0.01 -1.18 105.19 105.88 1flu n GLY 54 Ca -0.16 -1.37 0.22 0.00 0.00 0.00 0.00 46.02 44.70 1flu n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1flu h ILE 55 N -0.03 0.63 -0.34 -0.61 2.10 -1.69 -0.28 117.51 117.28 1flu h ILE 55 Ca 0.00 -0.10 0.00 0.00 1.08 0.00 0.00 64.86 65.84 1flu h ILE 55 Cb 0.03 0.31 0.00 0.00 -1.09 0.00 0.00 36.82 36.07 1flu h ILE 55 CO 0.00 0.05 0.00 0.18 -1.08 0.00 0.00 178.15 177.30 1flu n LEU 56 N -4.46 3.07 -3.87 2.19 4.77 -1.26 -4.01 117.00 113.43 1flu n LEU 56 Ca 0.19 -2.13 -0.32 0.00 -0.03 0.00 0.00 56.01 53.72 1flu n LEU 56 Cb 0.78 -0.28 0.01 0.00 -2.33 0.00 0.00 43.42 41.60 1flu n LEU 56 CO 0.32 0.73 -0.16 0.00 -1.33 0.00 0.00 177.39 176.95 1flu n GLN 57 N 0.40 -1.75 -2.46 3.23 1.13 -0.12 -4.91 117.38 112.90 1flu n GLN 57 Ca 0.13 0.36 -0.42 0.00 -1.94 0.00 0.00 57.00 55.13 1flu n GLN 57 Cb 0.49 -3.97 -0.03 0.00 0.11 0.00 0.00 30.24 26.84 1flu n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1flu s ILE 58 N -3.69 4.08 0.16 5.09 1.01 -0.33 -4.29 121.20 123.23 1flu s ILE 58 Ca 0.30 1.54 -0.29 0.00 0.00 0.00 0.00 60.65 62.20 1flu s ILE 58 Cb -0.12 -3.98 -0.07 0.00 0.01 0.00 0.00 42.46 38.29 1flu s ILE 58 CO 0.90 0.14 0.90 0.21 0.00 0.00 0.00 174.94 177.09 1flu s ASN 59 N 0.87 7.50 0.27 3.58 3.84 -1.26 -0.42 114.94 129.32 1flu s ASN 59 Ca 0.57 1.78 0.25 0.00 0.21 0.00 0.00 52.86 55.67 1flu s ASN 59 Cb -0.29 -2.57 0.93 0.00 -0.55 0.00 0.00 41.25 38.77 1flu s ASN 59 CO 0.30 0.07 1.75 0.77 -2.79 0.00 0.00 177.10 177.20 1flu h SER 60 N 4.89 0.00 0.05 -4.21 4.64 -1.49 -1.85 113.55 115.58 1flu h SER 60 Ca -0.44 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.80 1flu h SER 60 Cb 1.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 1flu h SER 60 CO 0.69 0.00 -0.24 -0.09 -0.87 0.00 0.00 176.83 176.32 1flu h ARG 61 N 0.00 0.33 0.00 4.77 2.43 -1.84 -3.39 114.38 116.67 1flu h ARG 61 Ca 0.00 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 1flu h ARG 61 Cb 0.52 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 1flu h ARG 61 CO 0.00 0.56 -0.94 0.91 -1.51 0.00 0.00 179.97 178.99 1flu n TRP 62 N -4.15 0.00 -0.06 2.20 7.02 -1.21 -0.78 117.44 120.45 1flu n TRP 62 Ca -0.01 0.00 -0.04 0.00 -1.02 0.00 0.00 57.50 56.44 1flu n TRP 62 Cb 0.37 0.00 -0.16 0.00 -2.42 0.00 0.00 31.31 29.11 1flu n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1flu n TRP 63 N -2.09 0.11 -4.06 -5.99 7.02 -0.70 -0.13 117.44 111.60 1flu n TRP 63 Ca 0.00 0.04 -0.10 0.00 -1.02 0.00 0.00 57.50 56.42 1flu n TRP 63 Cb 0.47 -0.88 -0.08 0.00 -2.42 0.00 0.00 31.31 28.39 1flu n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1flu s ASN 65 N -3.02 5.46 0.00 0.00 2.47 -0.21 -4.23 114.94 115.41 1flu s ASN 65 Ca 0.22 0.00 0.00 0.00 0.42 0.00 0.00 52.86 53.50 1flu s ASN 65 Cb 0.05 -1.94 0.00 0.00 -1.45 0.00 0.00 41.25 37.91 1flu s ASN 65 CO 0.02 0.13 0.73 -0.90 -3.72 0.00 0.00 177.10 173.36 1flu n ASP 66 N 3.85 1.33 -0.52 -4.21 5.68 -1.26 -0.47 116.55 120.95 1flu n ASP 66 Ca -0.16 -1.53 -0.06 0.00 -0.50 0.00 0.00 54.79 52.53 1flu n ASP 66 Cb 0.52 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.47 1flu n ASP 66 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1flu n ALA 67 N -0.26 -0.10 -2.12 2.12 0.00 -1.26 -4.72 120.51 114.17 1flu n ALA 67 Ca 0.00 0.10 0.02 0.00 0.00 0.00 0.00 53.44 53.57 1flu n ALA 67 Cb 0.21 -1.55 0.02 0.00 0.00 0.00 0.00 19.45 18.14 1flu n ALA 67 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1flu n ARG 68 N -0.15 0.14 -3.79 0.00 1.85 -1.26 -4.96 116.66 108.49 1flu n ARG 68 Ca -0.06 -1.57 -0.29 0.00 -1.00 0.00 0.00 57.85 54.93 1flu n ARG 68 Cb 0.51 -0.42 -0.13 0.00 -1.05 0.00 0.00 32.46 31.38 1flu n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1flu s THR 69 N -0.31 1.95 0.10 8.89 2.01 -1.26 -4.86 115.64 122.16 1flu s THR 69 Ca 0.16 -3.13 -0.35 0.00 0.31 0.00 0.00 61.69 58.68 1flu s THR 69 Cb 0.18 -2.34 -0.15 0.00 0.01 0.00 0.00 72.50 70.20 1flu s THR 69 CO -0.07 -0.92 1.51 -2.65 -0.69 0.00 0.00 174.62 171.81 1flu n PRO 70 N 3.04 1.73 0.00 4.92 -0.02 -1.26 -1.18 135.00 142.23 1flu n PRO 70 Ca 0.12 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 1flu n PRO 70 Cb 0.35 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 1flu n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1flu n GLY 71 N 3.16 3.42 3.24 -1.23 0.00 -1.26 -5.05 105.19 107.48 1flu n GLY 71 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 1flu n GLY 71 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1flu n SER 72 N 0.01 -3.21 -0.00 1.61 2.88 -0.33 -4.99 113.62 109.58 1flu n SER 72 Ca 0.00 0.73 0.05 0.00 -1.33 0.00 0.00 58.87 58.32 1flu n SER 72 Cb 0.00 -0.86 -0.08 0.00 -0.75 0.00 0.00 64.21 62.53 1flu n SER 72 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1flu n ARG 73 N 1.40 0.84 -4.02 -1.46 5.12 0.04 -4.98 116.66 113.60 1flu n ARG 73 Ca 0.10 -0.08 -0.27 0.00 -1.93 0.00 0.00 57.85 55.67 1flu n ARG 73 Cb 0.43 -1.20 -0.04 0.00 -1.16 0.00 0.00 32.46 30.49 1flu n ARG 73 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1flu n ASN 74 N -1.76 -0.15 0.30 0.55 5.15 -1.05 -4.87 115.26 113.43 1flu n ASN 74 Ca -0.01 -1.06 0.18 0.00 -0.60 0.00 0.00 54.58 53.09 1flu n ASN 74 Cb 0.25 -2.76 0.93 0.00 -0.53 0.00 0.00 39.78 37.67 1flu n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1flu h LEU 75 N -1.83 0.00 -0.81 1.20 3.38 -0.54 -1.04 115.31 115.67 1flu h LEU 75 Ca -0.64 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.33 1flu h LEU 75 Cb 1.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.13 1flu h LEU 75 CO 0.64 0.03 -0.27 0.00 0.09 0.00 0.00 178.44 178.93 1flu n ASN 77 N -0.22 -4.93 -3.67 0.00 3.02 -0.39 -5.01 115.26 104.07 1flu n ASN 77 Ca 0.12 -0.94 -0.15 0.00 -0.03 0.00 0.00 54.58 53.59 1flu n ASN 77 Cb 0.40 -3.79 -0.08 0.00 -0.61 0.00 0.00 39.78 35.71 1flu n ASN 77 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1flu s ILE 78 N -3.49 0.03 0.37 2.41 -4.36 -1.26 -5.07 121.20 109.83 1flu s ILE 78 Ca 0.40 -0.25 -0.25 0.00 -0.26 0.00 0.00 60.65 60.29 1flu s ILE 78 Cb -0.12 -0.76 -0.09 0.00 1.25 0.00 0.00 42.46 42.74 1flu s ILE 78 CO 0.83 -0.14 1.07 -2.16 0.24 0.00 0.00 174.94 174.78 1flu s PRO 79 N -1.09 4.26 0.54 0.37 0.04 -1.26 -1.05 135.00 136.81 1flu s PRO 79 Ca -0.11 1.59 0.26 0.00 0.04 0.00 0.00 61.00 62.78 1flu s PRO 79 Cb -0.03 -2.69 1.41 0.00 0.04 0.00 0.00 34.50 33.23 1flu s PRO 79 CO 0.06 -0.07 2.00 0.00 0.04 0.00 0.00 177.00 179.02 1flu h SER 81 N 0.00 0.00 -0.03 0.00 4.64 -1.91 -0.79 113.55 115.46 1flu h SER 81 Ca 0.25 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.57 1flu h SER 81 Cb 1.01 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.10 1flu h SER 81 CO -0.00 0.03 0.02 0.00 -0.87 0.00 0.00 176.83 176.01 1flu h ALA 82 N 1.97 1.88 0.00 5.18 0.00 -1.66 -1.67 119.26 124.97 1flu h ALA 82 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1flu h ALA 82 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1flu h ALA 82 CO 0.00 -0.03 0.00 1.28 0.00 0.00 0.00 179.25 180.50 1flu n LEU 83 N -4.32 0.00 -0.58 0.00 4.77 -0.30 -3.11 117.00 113.45 1flu n LEU 83 Ca -0.02 0.49 0.13 0.00 -0.03 0.00 0.00 56.01 56.57 1flu n LEU 83 Cb 0.11 -0.49 0.26 0.00 -2.33 0.00 0.00 43.42 40.97 1flu n LEU 83 CO 0.32 -0.11 0.64 0.18 -1.33 0.00 0.00 177.39 177.09 1flu n LEU 84 N -1.49 1.98 -4.72 2.23 4.77 -0.63 -4.19 117.00 114.95 1flu n LEU 84 Ca 0.06 -0.66 -0.33 0.00 -0.03 0.00 0.00 56.01 55.05 1flu n LEU 84 Cb 0.26 -0.02 0.11 0.00 -2.33 0.00 0.00 43.42 41.44 1flu n LEU 84 CO 0.21 0.34 0.75 -0.55 -1.33 0.00 0.00 177.39 176.82 1flu s SER 85 N -2.20 3.96 0.38 -1.43 0.15 -1.18 -4.25 113.70 109.13 1flu s SER 85 Ca 0.28 2.24 0.20 0.00 0.70 0.00 0.00 55.95 59.37 1flu s SER 85 Cb 0.20 -2.57 0.57 0.00 -1.71 0.00 0.00 66.02 62.51 1flu s SER 85 CO 0.41 -2.42 1.68 0.77 1.20 0.00 0.00 173.24 174.88 1flu h SER 86 N -0.76 0.00 -3.52 5.45 4.64 -1.93 -3.40 113.55 114.03 1flu h SER 86 Ca -0.46 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.27 1flu h SER 86 Cb 1.28 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.28 1flu h SER 86 CO 0.48 0.32 0.63 -0.62 -0.87 0.00 0.00 176.83 176.77 1flu s ASP 87 N -6.31 6.66 0.00 4.97 -1.08 -1.26 -4.93 116.67 114.72 1flu s ASP 87 Ca 0.02 0.53 0.23 0.00 -0.52 0.00 0.00 52.55 52.81 1flu s ASP 87 Cb 0.09 -2.47 1.39 0.00 -1.46 0.00 0.00 42.92 40.47 1flu s ASP 87 CO 0.68 -0.91 1.81 2.30 0.52 0.00 0.00 175.17 179.57 1flu n ILE 88 N 6.08 0.00 -0.20 4.11 -5.35 -1.26 -4.31 119.36 118.43 1flu n ILE 88 Ca 0.07 0.00 -0.02 0.00 -0.27 0.00 0.00 62.75 62.54 1flu n ILE 88 Cb 0.48 -0.51 0.05 0.00 -1.74 0.00 0.00 39.64 37.93 1flu n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1flu h THR 89 N 0.00 0.39 -0.29 7.28 2.02 -1.94 -0.25 112.91 120.11 1flu h THR 89 Ca 0.00 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 1flu h THR 89 Cb 0.00 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 66.78 1flu h THR 89 CO 0.00 0.00 0.18 0.00 0.37 0.00 0.00 175.52 176.07 1flu h ALA 90 N 1.55 0.37 -0.80 6.16 0.00 -1.87 -0.30 119.26 124.36 1flu h ALA 90 Ca 0.28 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1flu h ALA 90 Cb 0.45 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 1flu h ALA 90 CO -0.61 -0.13 0.51 0.77 0.00 0.00 0.00 179.25 179.78 1flu h SER 91 N 0.37 0.93 -0.43 0.00 0.02 -1.68 -2.25 113.55 110.51 1flu h SER 91 Ca 0.10 -0.04 -0.07 0.00 -0.84 0.00 0.00 61.79 60.95 1flu h SER 91 Cb 0.01 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.30 1flu h SER 91 CO -0.02 0.69 0.00 0.58 -1.14 0.00 0.00 176.83 176.94 1flu h VAL 92 N 1.08 1.26 0.00 2.27 2.07 -0.70 -1.12 116.25 121.11 1flu h VAL 92 Ca 0.29 -1.03 -0.07 0.00 0.82 0.00 0.00 66.70 66.70 1flu h VAL 92 Cb -0.10 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 1flu h VAL 92 CO -0.06 0.35 -0.35 0.78 0.02 0.00 0.00 177.57 178.31 1flu h ASN 93 N 0.60 0.00 0.24 0.57 -0.26 -0.87 -1.76 115.58 114.09 1flu h ASN 93 Ca 0.12 0.00 -0.29 0.00 -0.56 0.00 0.00 56.30 55.57 1flu h ASN 93 Cb 0.49 0.00 0.02 0.00 -1.06 0.00 0.00 38.32 37.77 1flu h ASN 93 CO 0.02 0.35 -1.23 0.00 -1.06 0.00 0.00 177.43 175.52 1flu h ALA 95 N 0.38 1.49 -0.61 0.00 0.00 -0.76 -0.87 119.26 118.89 1flu h ALA 95 Ca -0.17 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1flu h ALA 95 Cb 1.90 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 19.40 1flu h ALA 95 CO 0.23 0.45 0.28 0.87 0.00 0.00 0.00 179.25 181.08 1flu h LYS 96 N 0.89 0.87 -0.18 0.00 1.57 -1.38 0.36 116.57 118.71 1flu h LYS 96 Ca 0.24 -0.12 -0.20 0.00 -1.87 0.00 0.00 60.65 58.70 1flu h LYS 96 Cb -0.06 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.09 1flu h LYS 96 CO -0.05 0.68 -0.68 0.87 -0.57 0.00 0.00 179.45 179.71 1flu h LYS 97 N 0.87 0.70 -0.06 3.15 1.57 -1.22 -2.69 116.57 118.90 1flu h LYS 97 Ca 0.21 -0.52 -0.01 0.00 -1.87 0.00 0.00 60.65 58.47 1flu h LYS 97 Cb 0.11 0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.51 1flu h LYS 97 CO -0.03 1.14 0.01 0.82 -0.57 0.00 0.00 179.45 180.82 1flu h ILE 98 N 0.51 1.21 0.00 1.86 2.04 -0.81 -2.40 117.51 119.92 1flu h ILE 98 Ca -0.02 -0.64 -0.00 0.00 1.00 0.00 0.00 64.86 65.20 1flu h ILE 98 Cb 1.28 1.52 -0.00 0.00 -0.74 0.00 0.00 36.82 38.88 1flu h ILE 98 CO 0.14 0.18 -0.00 1.62 0.00 0.00 0.00 178.15 180.08 1flu h VAL 99 N -0.14 0.01 0.00 1.67 3.04 -0.98 -0.71 116.25 119.15 1flu h VAL 99 Ca 0.02 -0.37 0.00 0.00 -1.01 0.00 0.00 66.70 65.34 1flu h VAL 99 Cb 0.27 1.36 0.00 0.00 -2.01 0.00 0.00 31.29 30.91 1flu h VAL 99 CO 0.00 0.00 -0.48 -1.20 -1.01 0.00 0.00 177.57 174.89 1flu n SER 100 N -3.10 0.54 0.07 3.17 7.64 -1.01 -3.65 113.62 117.27 1flu n SER 100 Ca -0.01 0.03 0.04 0.00 1.01 0.00 0.00 58.87 59.95 1flu n SER 100 Cb 0.24 0.08 0.22 0.00 -1.01 0.00 0.00 64.21 63.74 1flu n SER 100 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1flu n ASP 101 N -1.80 0.21 0.00 6.43 2.03 -0.27 -4.82 116.55 118.33 1flu n ASP 101 Ca 0.05 0.57 0.00 0.00 0.52 0.00 0.00 54.79 55.92 1flu n ASP 101 Cb 0.38 -0.58 0.00 0.00 -0.72 0.00 0.00 41.12 40.20 1flu n ASP 101 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1flu n GLY 102 N -1.39 0.83 0.96 0.27 0.00 -1.26 -4.93 105.19 99.68 1flu n GLY 102 Ca -0.01 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 1flu n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1flu n ASN 103 N 0.00 3.09 0.00 1.61 4.13 -1.26 -5.08 115.26 117.75 1flu n ASN 103 Ca 0.00 -1.92 0.00 0.00 1.68 0.00 0.00 54.58 54.34 1flu n ASN 103 Cb 0.00 -0.15 0.00 0.00 -1.54 0.00 0.00 39.78 38.09 1flu n ASN 103 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1flu n GLY 104 N 1.26 1.16 0.00 7.41 0.00 -1.24 -2.66 105.19 111.12 1flu n GLY 104 Ca 0.16 -0.59 0.12 0.00 0.00 0.00 0.00 46.02 45.70 1flu n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1flu n MET 105 N 1.16 0.60 0.04 1.61 2.81 -1.26 -3.16 117.12 118.92 1flu n MET 105 Ca 0.00 0.03 0.07 0.00 -1.81 0.00 0.00 57.70 55.98 1flu n MET 105 Cb 0.00 -1.50 0.29 0.00 -0.71 0.00 0.00 33.22 31.30 1flu n MET 105 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1flu n ASN 106 N -1.10 0.17 0.28 7.83 3.02 -1.09 -1.38 115.26 122.99 1flu n ASN 106 Ca 0.15 0.55 0.16 0.00 -0.03 0.00 0.00 54.58 55.42 1flu n ASN 106 Cb 0.12 -0.58 0.81 0.00 -0.61 0.00 0.00 39.78 39.52 1flu n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1flu h ALA 107 N 2.30 1.13 -2.72 5.41 0.00 -1.73 -3.38 119.26 120.29 1flu h ALA 107 Ca 0.00 -0.06 -0.71 0.00 0.00 0.00 0.00 54.91 54.13 1flu h ALA 107 Cb 0.19 -0.01 -0.24 0.00 0.00 0.00 0.00 17.79 17.73 1flu h ALA 107 CO 0.00 0.09 -0.48 -1.58 0.00 0.00 0.00 179.25 177.27 1flu s TRP 108 N -4.02 3.25 0.32 0.00 0.51 -0.48 -4.97 118.94 113.56 1flu s TRP 108 Ca -0.02 -0.95 0.02 0.00 -2.12 0.00 0.00 56.10 53.03 1flu s TRP 108 Cb 0.12 -2.56 0.60 0.00 -0.81 0.00 0.00 33.47 30.82 1flu s TRP 108 CO 0.54 -0.67 1.92 -0.24 -0.51 0.00 0.00 176.95 177.99 1flu h VAL 109 N 5.85 1.05 -0.19 4.03 3.04 -1.84 -1.66 116.25 126.52 1flu h VAL 109 Ca -0.26 -0.32 -0.10 0.00 -1.01 0.00 0.00 66.70 65.01 1flu h VAL 109 Cb 1.10 0.02 -0.01 0.00 -2.01 0.00 0.00 31.29 30.39 1flu h VAL 109 CO 0.70 0.17 -0.32 0.00 -1.01 0.00 0.00 177.57 177.11 1flu h ALA 110 N 1.54 1.10 -0.06 3.17 0.00 -1.93 -1.03 119.26 122.06 1flu h ALA 110 Ca 0.37 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1flu h ALA 110 Cb 0.23 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1flu h ALA 110 CO -0.14 0.57 0.01 2.35 0.00 0.00 0.00 179.25 182.04 1flu h TRP 111 N 0.33 0.10 -0.67 0.00 7.01 -1.63 0.22 115.95 121.33 1flu h TRP 111 Ca 0.04 -0.02 0.04 0.00 2.11 0.00 0.00 58.89 61.06 1flu h TRP 111 Cb 0.73 -0.03 -0.05 0.00 -2.10 0.00 0.00 29.16 27.72 1flu h TRP 111 CO 0.02 0.34 0.41 -0.09 -2.79 0.00 0.00 178.44 176.33 1flu h ARG 112 N -0.17 0.76 0.00 2.65 2.43 -1.25 0.40 114.38 119.19 1flu h ARG 112 Ca 0.02 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1flu h ARG 112 Cb 0.30 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 1flu h ARG 112 CO 0.00 0.50 -0.63 -0.91 -1.51 0.00 0.00 179.97 177.43 1flu h ASN 113 N 0.78 0.00 0.00 -3.80 2.35 -1.06 -3.37 115.58 110.49 1flu h ASN 113 Ca 0.28 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 56.00 1flu h ASN 113 Cb 0.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.43 1flu h ASN 113 CO -0.13 0.01 0.00 0.54 -1.65 0.00 0.00 177.43 176.21 1flu n ARG 114 N -2.73 1.58 -0.01 0.81 1.74 0.78 -4.90 116.66 113.92 1flu n ARG 114 Ca 0.02 -0.07 -0.02 0.00 -0.77 0.00 0.00 57.85 57.01 1flu n ARG 114 Cb 0.53 -0.38 -0.01 0.00 -1.02 0.00 0.00 32.46 31.58 1flu n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1flu n LYS 116 N -2.82 1.78 -1.54 0.00 4.81 0.12 -1.72 118.16 118.79 1flu n LYS 116 Ca -0.04 0.65 -0.07 0.00 -0.87 0.00 0.00 58.31 57.98 1flu n LYS 116 Cb 0.53 -2.40 -0.02 0.00 0.02 0.00 0.00 35.03 33.17 1flu n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1flu n GLY 117 N 3.58 0.63 3.64 3.14 0.00 -1.26 -4.94 105.19 109.97 1flu n GLY 117 Ca 0.20 -0.67 -0.29 0.00 0.00 0.00 0.00 46.02 45.27 1flu n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1flu s THR 118 N -2.30 1.75 -1.21 2.61 -4.23 -0.70 -5.04 115.64 106.51 1flu s THR 118 Ca 0.00 -2.00 -0.18 0.00 -1.18 0.00 0.00 61.69 58.33 1flu s THR 118 Cb 0.00 -2.80 0.09 0.00 1.34 0.00 0.00 72.50 71.13 1flu s THR 118 CO 0.00 0.00 1.60 -0.62 -0.54 0.00 0.00 174.62 175.06 1flu s ASP 119 N -3.73 6.82 0.34 3.99 2.15 -1.26 -4.76 116.67 120.22 1flu s ASP 119 Ca 0.29 -2.36 0.25 0.00 0.43 0.00 0.00 52.55 51.16 1flu s ASP 119 Cb 0.08 -2.53 1.20 0.00 -0.30 0.00 0.00 42.92 41.37 1flu s ASP 119 CO 0.15 -1.14 1.77 -0.37 -0.17 0.00 0.00 175.17 175.41 1flu h VAL 120 N 5.62 0.00 -0.21 1.11 -1.51 -1.90 -2.54 116.25 116.82 1flu h VAL 120 Ca 0.36 -0.16 -0.01 0.00 -1.23 0.00 0.00 66.70 65.67 1flu h VAL 120 Cb 0.90 0.84 -0.01 0.00 -2.13 0.00 0.00 31.29 30.90 1flu h VAL 120 CO 1.39 0.00 0.11 1.56 -1.23 0.00 0.00 177.57 179.40 1flu h GLN 121 N 0.00 0.28 -0.60 5.19 7.50 -1.88 -1.57 115.11 124.03 1flu h GLN 121 Ca 0.00 -0.02 0.17 0.00 0.50 0.00 0.00 58.65 59.30 1flu h GLN 121 Cb 0.22 -0.06 -0.02 0.00 0.05 0.00 0.00 27.48 27.66 1flu h GLN 121 CO 0.00 0.22 0.46 0.00 -1.50 0.00 0.00 178.83 178.01 1flu h ALA 122 N 1.83 2.52 0.00 3.87 0.00 -1.85 0.34 119.26 125.96 1flu h ALA 122 Ca 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1flu h ALA 122 Cb 0.02 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1flu h ALA 122 CO -0.01 -0.77 0.00 -1.49 0.00 0.00 0.00 179.25 176.98 1flu h TRP 123 N 0.00 0.00 -0.07 0.00 4.06 -1.50 -2.78 115.95 115.66 1flu h TRP 123 Ca 0.29 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.24 1flu h TRP 123 Cb 1.20 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.36 1flu h TRP 123 CO 0.00 0.00 0.00 0.44 -3.56 0.00 0.00 178.44 175.32 1flu n ILE 124 N -2.66 0.36 -1.97 1.49 -6.64 0.07 -4.82 119.36 105.20 1flu n ILE 124 Ca 0.01 -0.68 -0.41 0.00 -1.77 0.00 0.00 62.75 59.90 1flu n ILE 124 Cb 0.25 0.89 -0.01 0.00 -1.44 0.00 0.00 39.64 39.33 1flu n ILE 124 CO 0.00 0.00 0.00 -0.60 -1.77 0.00 0.00 176.55 174.18 1flu s ARG 125 N -0.65 4.24 0.00 6.28 3.52 -0.99 -2.46 118.95 128.88 1flu s ARG 125 Ca 0.08 2.38 0.00 0.00 -0.13 0.00 0.00 55.73 58.06 1flu s ARG 125 Cb 0.05 -3.04 0.00 0.00 -1.56 0.00 0.00 34.95 30.40 1flu s ARG 125 CO 0.07 -0.38 0.00 0.41 -0.81 0.00 0.00 175.30 174.59 1flu n GLY 126 N 1.10 2.04 3.80 8.12 0.00 -1.26 -5.02 105.19 113.96 1flu n GLY 126 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 1flu n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1flu s ARG 128 N -1.03 3.19 0.00 0.00 3.52 -1.26 -5.13 118.95 118.24 1flu s ARG 128 Ca 0.31 -0.96 0.05 0.00 -0.13 0.00 0.00 55.73 55.01 1flu s ARG 128 Cb -0.20 -4.35 0.04 0.00 -1.56 0.00 0.00 34.95 28.88 1flu s ARG 128 CO 0.21 -1.82 0.67 1.28 -0.81 0.00 0.00 175.30 174.83