#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fkx s ILE 2 N 0.00 4.32 0.59 0.52 -4.36 -1.26 -4.99 121.20 116.03 2fkx s ILE 2 Ca 0.00 1.52 0.09 0.00 -0.26 0.00 0.00 60.65 62.00 2fkx s ILE 2 Cb 0.00 -4.26 0.09 0.00 1.25 0.00 0.00 42.46 39.54 2fkx s ILE 2 CO 0.00 -0.45 0.82 0.42 0.24 0.00 0.00 174.94 175.96 2fkx s THR 3 N 3.96 2.08 0.43 8.37 -4.23 -1.26 -4.92 115.64 120.08 2fkx s THR 3 Ca 0.51 -0.99 0.10 0.00 -1.18 0.00 0.00 61.69 60.13 2fkx s THR 3 Cb -0.15 -2.09 0.24 0.00 1.34 0.00 0.00 72.50 71.84 2fkx s THR 3 CO 0.19 0.00 2.05 0.11 -0.54 0.00 0.00 174.62 176.43 2fkx h LYS 4 N 0.12 0.35 0.00 3.99 1.57 -1.98 -0.51 116.57 120.10 2fkx h LYS 4 Ca -0.29 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 2fkx h LYS 4 Cb 1.29 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.52 2fkx h LYS 4 CO 0.40 0.28 0.00 1.49 -0.57 0.00 0.00 179.45 181.05 2fkx h GLU 5 N 0.36 0.00 0.10 3.15 4.81 -1.97 0.40 114.58 121.43 2fkx h GLU 5 Ca 0.09 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 59.05 2fkx h GLU 5 Cb 0.04 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.41 2fkx h GLU 5 CO -0.01 0.00 -1.31 0.93 -0.73 0.00 0.00 179.01 177.88 2fkx h GLU 6 N 0.00 0.22 0.10 1.92 4.39 -1.50 -1.54 114.58 118.17 2fkx h GLU 6 Ca 0.00 -0.38 -0.26 0.00 0.34 0.00 0.00 59.36 59.06 2fkx h GLU 6 Cb 0.79 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.58 2fkx h GLU 6 CO 0.00 1.14 -1.16 -0.22 -1.16 0.00 0.00 179.01 177.61 2fkx h LYS 7 N 0.06 0.28 -0.47 2.33 3.64 -0.83 -2.11 116.57 119.47 2fkx h LYS 7 Ca -0.16 -0.43 -0.03 0.00 -1.27 0.00 0.00 60.65 58.76 2fkx h LYS 7 Cb 1.96 0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 33.91 2fkx h LYS 7 CO 0.18 1.18 0.15 0.37 -2.27 0.00 0.00 179.45 179.05 2fkx h GLN 8 N 0.10 0.69 -0.45 1.90 5.75 -0.22 -0.28 115.11 122.60 2fkx h GLN 8 Ca -0.12 -0.11 -0.05 0.00 -0.15 0.00 0.00 58.65 58.22 2fkx h GLN 8 Cb 1.87 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 30.28 2fkx h GLN 8 CO 0.19 0.60 0.05 -0.22 -2.65 0.00 0.00 178.83 176.80 2fkx h LYS 9 N 0.68 0.70 -0.76 1.69 3.11 -1.09 0.15 116.57 121.05 2fkx h LYS 9 Ca 0.16 -0.15 -0.05 0.00 -2.81 0.00 0.00 60.65 57.80 2fkx h LYS 9 Cb 0.20 -0.10 -0.03 0.00 -1.00 0.00 0.00 32.23 31.30 2fkx h LYS 9 CO -0.01 0.68 0.30 0.28 -2.81 0.00 0.00 179.45 177.89 2fkx h VAL 10 N 0.67 1.26 -0.24 2.00 2.07 -0.38 0.44 116.25 122.05 2fkx h VAL 10 Ca 0.14 -0.81 -0.13 0.00 0.82 0.00 0.00 66.70 66.72 2fkx h VAL 10 Cb 0.34 0.35 -0.00 0.00 -1.52 0.00 0.00 31.29 30.46 2fkx h VAL 10 CO 0.01 0.33 -0.34 0.40 0.02 0.00 0.00 177.57 177.99 2fkx h ILE 11 N 1.11 1.31 -0.19 4.57 5.03 -0.86 -1.57 117.51 126.91 2fkx h ILE 11 Ca 0.25 -1.53 -0.00 0.00 -0.12 0.00 0.00 64.86 63.46 2fkx h ILE 11 Cb 0.22 1.71 -0.01 0.00 -3.03 0.00 0.00 36.82 35.72 2fkx h ILE 11 CO -0.02 0.48 0.10 -0.61 -0.68 0.00 0.00 178.15 177.42 2fkx h GLN 12 N 0.38 0.27 0.03 2.37 4.15 -0.41 -3.31 115.11 118.59 2fkx h GLN 12 Ca 0.03 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.41 2fkx h GLN 12 Cb 0.92 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.56 2fkx h GLN 12 CO 0.08 0.27 -0.01 0.93 -1.93 0.00 0.00 178.83 178.16 2fkx h GLU 13 N 0.20 -0.04 0.00 1.69 4.39 -0.15 -3.46 114.58 117.21 2fkx h GLU 13 Ca 0.07 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.77 2fkx h GLU 13 Cb 0.08 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 2fkx h GLU 13 CO -0.01 0.55 0.00 1.19 -1.16 0.00 0.00 179.01 179.58 2fkx n PHE 14 N -4.82 0.00 -2.84 4.33 3.72 -0.59 -5.00 117.46 112.27 2fkx n PHE 14 Ca -0.09 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.09 2fkx n PHE 14 Cb 0.30 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.86 2fkx n PHE 14 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2fkx n ALA 15 N -3.00 -1.93 -0.04 4.37 0.00 -1.17 -4.87 120.51 113.87 2fkx n ALA 15 Ca 0.00 0.19 0.12 0.00 0.00 0.00 0.00 53.44 53.75 2fkx n ALA 15 Cb 0.00 -1.37 0.28 0.00 0.00 0.00 0.00 19.45 18.36 2fkx n ALA 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2fkx n ARG 16 N 0.18 2.62 -3.60 0.00 1.74 -0.62 -4.85 116.66 112.14 2fkx n ARG 16 Ca -0.05 -2.49 -0.14 0.00 -0.77 0.00 0.00 57.85 54.40 2fkx n ARG 16 Cb 0.49 -1.55 -0.07 0.00 -1.02 0.00 0.00 32.46 30.32 2fkx n ARG 16 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 2fkx s PHE 17 N -1.23 -0.69 -0.40 -1.55 5.36 -1.25 -4.69 117.98 113.52 2fkx s PHE 17 Ca 0.45 1.53 -0.32 0.00 -0.96 0.00 0.00 56.93 57.63 2fkx s PHE 17 Cb 0.24 0.33 -0.10 0.00 -0.34 0.00 0.00 43.02 43.16 2fkx s PHE 17 CO 0.33 -0.43 2.28 -0.35 -1.46 0.00 0.00 175.22 175.60 2fkx n PRO 18 N 2.00 1.17 0.00 10.12 -0.04 -1.26 0.05 135.00 147.04 2fkx n PRO 18 Ca -0.15 0.26 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 2fkx n PRO 18 Cb 0.56 -2.73 0.00 0.00 -0.04 0.00 0.00 33.50 31.29 2fkx n PRO 18 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2fkx n GLY 19 N 6.28 2.37 2.74 0.55 0.00 -1.26 -4.96 105.19 110.91 2fkx n GLY 19 Ca 0.40 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.01 2fkx n GLY 19 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2fkx n ASP 20 N 0.00 6.59 -0.10 1.61 9.92 0.11 -4.09 116.55 130.60 2fkx n ASP 20 Ca 0.00 -3.26 -0.20 0.00 -0.53 0.00 0.00 54.79 50.80 2fkx n ASP 20 Cb 0.00 -1.36 -0.07 0.00 -0.64 0.00 0.00 41.12 39.05 2fkx n ASP 20 CO 0.00 0.00 0.00 1.07 0.13 0.00 0.00 177.20 178.40 2fkx n THR 21 N 1.98 1.10 -2.10 -3.53 5.66 -1.26 -1.60 114.28 114.54 2fkx n THR 21 Ca 0.45 -0.24 -0.28 0.00 -3.05 0.00 0.00 64.05 60.93 2fkx n THR 21 Cb 0.31 -1.79 0.02 0.00 -1.55 0.00 0.00 70.33 67.32 2fkx n THR 21 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2fkx n GLY 22 N 1.79 6.12 3.22 1.09 0.00 -1.26 -3.99 105.19 112.16 2fkx n GLY 22 Ca -0.37 -2.65 -0.43 0.00 0.00 0.00 0.00 46.02 42.57 2fkx n GLY 22 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2fkx n SER 23 N -0.63 5.62 -3.84 1.61 2.88 -1.26 -4.30 113.62 113.69 2fkx n SER 23 Ca 0.45 -3.15 -0.28 0.00 -1.33 0.00 0.00 58.87 54.57 2fkx n SER 23 Cb 0.75 -1.31 0.03 0.00 -0.75 0.00 0.00 64.21 62.93 2fkx n SER 23 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 2fkx n THR 24 N 2.28 -2.65 -2.29 2.46 -1.04 -1.26 -3.10 114.28 108.67 2fkx n THR 24 Ca 0.24 -0.11 0.00 0.00 -2.04 0.00 0.00 64.05 62.14 2fkx n THR 24 Cb 0.37 -3.15 0.00 0.00 -1.82 0.00 0.00 70.33 65.73 2fkx n THR 24 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2fkx n GLU 25 N -4.63 0.00 0.00 -2.82 1.02 -1.26 -2.48 120.64 110.47 2fkx n GLU 25 Ca -0.03 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.15 2fkx n GLU 25 Cb 0.56 0.00 0.20 0.00 -0.02 0.00 0.00 31.44 32.18 2fkx n GLU 25 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 2fkx n VAL 26 N 0.00 1.30 -0.05 2.62 3.14 -1.26 -2.30 118.33 121.78 2fkx n VAL 26 Ca 0.00 0.33 -0.15 0.00 -2.96 0.00 0.00 64.34 61.56 2fkx n VAL 26 Cb 0.00 -1.17 -0.13 0.00 -1.06 0.00 0.00 33.84 31.48 2fkx n VAL 26 CO 0.00 0.00 0.00 1.56 -6.46 0.00 0.00 176.83 171.93 2fkx h GLN 27 N 0.00 0.04 0.00 1.45 4.20 -1.72 0.17 115.11 119.25 2fkx h GLN 27 Ca 0.00 -0.07 -0.09 0.00 0.06 0.00 0.00 58.65 58.54 2fkx h GLN 27 Cb 0.15 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 2fkx h GLN 27 CO 0.00 1.01 -0.45 0.28 -0.67 0.00 0.00 178.83 179.00 2fkx h VAL 28 N -0.88 1.08 -0.97 -0.54 2.07 -1.45 -0.05 116.25 115.51 2fkx h VAL 28 Ca -0.02 -1.69 0.00 0.00 0.82 0.00 0.00 66.70 65.81 2fkx h VAL 28 Cb 1.06 1.98 -0.05 0.00 -1.52 0.00 0.00 31.29 32.76 2fkx h VAL 28 CO 0.02 0.44 0.62 0.00 0.02 0.00 0.00 177.57 178.67 2fkx h ALA 29 N 1.55 1.27 0.00 1.67 0.00 -1.40 0.75 119.26 123.10 2fkx h ALA 29 Ca -0.00 -0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.67 2fkx h ALA 29 Cb 0.94 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 2fkx h ALA 29 CO 0.06 0.66 -0.75 1.37 0.00 0.00 0.00 179.25 180.58 2fkx h LEU 30 N 1.32 0.00 -0.21 0.00 8.10 -0.18 -2.35 115.31 121.99 2fkx h LEU 30 Ca 0.35 0.00 -0.22 0.00 0.11 0.00 0.00 57.88 58.12 2fkx h LEU 30 Cb -0.12 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 40.11 2fkx h LEU 30 CO -0.07 0.75 -0.79 0.17 -4.11 0.00 0.00 178.44 174.39 2fkx h LEU 31 N 0.00 0.83 -0.40 0.17 8.10 -0.04 0.37 115.31 124.34 2fkx h LEU 31 Ca -0.01 -0.55 -0.01 0.00 0.11 0.00 0.00 57.88 57.42 2fkx h LEU 31 Cb 1.49 -0.25 -0.02 0.00 -0.44 0.00 0.00 40.66 41.44 2fkx h LEU 31 CO 0.10 1.34 0.21 0.74 -4.11 0.00 0.00 178.44 176.72 2fkx h THR 32 N 0.47 1.16 -0.15 0.15 2.02 0.48 0.97 112.91 118.01 2fkx h THR 32 Ca -0.05 -0.44 -0.06 0.00 0.77 0.00 0.00 66.41 66.62 2fkx h THR 32 Cb 1.41 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 68.52 2fkx h THR 32 CO 0.16 0.17 -0.20 0.25 0.37 0.00 0.00 175.52 176.27 2fkx h LEU 33 N 0.51 0.24 -0.03 2.58 5.85 -1.32 0.34 115.31 123.48 2fkx h LEU 33 Ca 0.14 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 2fkx h LEU 33 Cb 0.09 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.05 2fkx h LEU 33 CO -0.02 0.45 0.00 -0.09 -0.34 0.00 0.00 178.44 178.45 2fkx h ARG 34 N 0.23 0.04 -0.50 1.25 9.65 -0.21 -0.17 114.38 124.66 2fkx h ARG 34 Ca 0.04 -0.01 0.06 0.00 -1.10 0.00 0.00 59.98 58.97 2fkx h ARG 34 Cb 0.49 -0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 29.01 2fkx h ARG 34 CO 0.03 0.30 0.20 0.82 2.80 0.00 0.00 179.97 184.13 2fkx h ILE 35 N -0.22 0.86 0.09 1.20 2.04 -0.32 0.12 117.51 121.28 2fkx h ILE 35 Ca 0.01 -0.14 0.01 0.00 1.00 0.00 0.00 64.86 65.74 2fkx h ILE 35 Cb 0.28 0.43 -0.04 0.00 -0.74 0.00 0.00 36.82 36.76 2fkx h ILE 35 CO 0.00 0.07 -0.39 -1.13 0.00 0.00 0.00 178.15 176.70 2fkx h ASN 36 N 0.39 -1.18 1.50 1.72 -0.00 -0.16 0.22 115.58 118.07 2fkx h ASN 36 Ca 0.24 0.12 0.00 0.00 -0.00 0.00 0.00 56.30 56.66 2fkx h ASN 36 Cb 0.23 0.43 0.00 0.00 -0.00 0.00 0.00 38.32 38.98 2fkx h ASN 36 CO -0.22 -0.41 0.00 0.03 -0.00 0.00 0.00 177.43 176.83 2fkx h ARG 37 N -0.55 0.00 -0.11 6.67 2.47 -0.90 -2.01 114.38 119.94 2fkx h ARG 37 Ca -0.00 0.00 -0.07 0.00 -1.26 0.00 0.00 59.98 58.64 2fkx h ARG 37 Cb 0.56 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.88 2fkx h ARG 37 CO -0.21 0.00 -0.22 1.25 0.56 0.00 0.00 179.97 181.35 2fkx h LEU 38 N 0.00 0.38 -0.85 3.04 5.85 -0.43 -1.11 115.31 122.19 2fkx h LEU 38 Ca 0.00 -0.56 -0.04 0.00 0.84 0.00 0.00 57.88 58.13 2fkx h LEU 38 Cb 0.75 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.63 2fkx h LEU 38 CO 0.00 0.87 0.39 -1.28 -0.34 0.00 0.00 178.44 178.08 2fkx h SER 39 N -0.09 1.12 0.52 1.25 0.87 -0.32 0.19 113.55 117.09 2fkx h SER 39 Ca 0.00 -0.14 -0.11 0.00 -1.23 0.00 0.00 61.79 60.31 2fkx h SER 39 Cb 0.80 -0.29 -0.02 0.00 -0.44 0.00 0.00 62.40 62.46 2fkx h SER 39 CO 0.05 0.95 -0.53 -0.33 -0.53 0.00 0.00 176.83 176.44 2fkx h GLU 40 N 1.21 0.01 -0.01 2.24 5.08 -1.32 0.75 114.58 122.54 2fkx h GLU 40 Ca 0.29 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.62 2fkx h GLU 40 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 2fkx h GLU 40 CO -0.03 0.54 -0.09 1.25 -1.00 0.00 0.00 179.01 179.68 2fkx h HIS 41 N 0.01 0.11 0.00 4.33 2.76 -0.71 -3.25 115.15 118.40 2fkx h HIS 41 Ca -0.00 -0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.11 2fkx h HIS 41 Cb 0.94 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.89 2fkx h HIS 41 CO 0.00 0.80 0.00 1.28 -1.30 0.00 0.00 177.93 178.71 2fkx n LEU 42 N -4.65 0.00 -0.04 0.26 4.32 0.63 0.21 117.00 117.72 2fkx n LEU 42 Ca -0.09 0.18 0.16 0.00 -0.02 0.00 0.00 56.01 56.24 2fkx n LEU 42 Cb 0.41 -0.18 0.91 0.00 -1.62 0.00 0.00 43.42 42.93 2fkx n LEU 42 CO 0.36 -0.01 1.09 1.17 -1.22 0.00 0.00 177.39 178.77 2fkx n LYS 43 N -1.18 1.04 0.01 3.23 4.81 0.25 -3.74 118.16 122.58 2fkx n LYS 43 Ca 0.17 -0.09 0.00 0.00 -0.87 0.00 0.00 58.31 57.52 2fkx n LYS 43 Cb 0.18 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.73 2fkx n LYS 43 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2fkx n VAL 44 N -0.91 0.08 -2.57 3.15 0.31 -0.92 -4.91 118.33 112.56 2fkx n VAL 44 Ca 0.23 0.03 -0.42 0.00 -0.01 0.00 0.00 64.34 64.16 2fkx n VAL 44 Cb 0.14 -0.96 -0.00 0.00 -0.91 0.00 0.00 33.84 32.11 2fkx n VAL 44 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 2fkx s HIS 45 N -2.00 2.74 -0.09 3.52 3.76 0.13 -4.48 115.29 118.87 2fkx s HIS 45 Ca 0.00 -1.52 0.13 0.00 -0.15 0.00 0.00 55.06 53.52 2fkx s HIS 45 Cb 0.00 -4.74 0.20 0.00 1.11 0.00 0.00 32.58 29.15 2fkx s HIS 45 CO 0.00 -1.80 1.09 0.36 -0.85 0.00 0.00 174.74 173.53 2fkx n LYS 46 N 8.43 1.37 -0.05 1.40 2.85 -1.25 -3.76 118.16 127.15 2fkx n LYS 46 Ca 0.48 -2.14 -0.10 0.00 -1.05 0.00 0.00 58.31 55.50 2fkx n LYS 46 Cb 0.46 -1.26 -0.04 0.00 -0.65 0.00 0.00 35.03 33.54 2fkx n LYS 46 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 2fkx n LYS 47 N -1.06 0.23 0.02 -1.58 5.02 -1.26 -4.67 118.16 114.86 2fkx n LYS 47 Ca 0.11 0.08 0.08 0.00 -2.02 0.00 0.00 58.31 56.57 2fkx n LYS 47 Cb 0.58 -0.99 -0.10 0.00 -0.02 0.00 0.00 35.03 34.49 2fkx n LYS 47 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2fkx n ASP 48 N -3.22 0.37 -3.96 4.39 5.75 -1.26 -4.85 116.55 113.77 2fkx n ASP 48 Ca -0.20 0.15 -0.29 0.00 -0.01 0.00 0.00 54.79 54.44 2fkx n ASP 48 Cb 0.66 1.22 -0.16 0.00 -1.03 0.00 0.00 41.12 41.81 2fkx n ASP 48 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 2fkx s HIS 49 N -3.33 1.98 -0.14 2.11 3.76 -1.25 -4.93 115.29 113.49 2fkx s HIS 49 Ca -0.05 -1.16 0.16 0.00 -0.15 0.00 0.00 55.06 53.86 2fkx s HIS 49 Cb 0.11 -1.47 0.31 0.00 1.11 0.00 0.00 32.58 32.65 2fkx s HIS 49 CO 0.85 -0.64 1.16 0.72 -0.85 0.00 0.00 174.74 175.99 2fkx n HIS 50 N 4.81 0.00 1.41 1.40 8.25 -1.26 -3.83 115.22 126.01 2fkx n HIS 50 Ca -0.15 -1.08 0.09 0.00 -0.26 0.00 0.00 57.72 56.32 2fkx n HIS 50 Cb 0.49 -0.17 0.37 0.00 1.12 0.00 0.00 29.99 31.79 2fkx n HIS 50 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2fkx n SER 51 N -1.29 1.19 0.18 0.41 7.64 -1.26 -3.81 113.62 116.69 2fkx n SER 51 Ca 0.16 -1.70 0.03 0.00 1.01 0.00 0.00 58.87 58.37 2fkx n SER 51 Cb 0.66 -0.09 0.35 0.00 -1.01 0.00 0.00 64.21 64.12 2fkx n SER 51 CO 0.00 0.00 0.00 -0.74 -3.01 0.00 0.00 175.04 171.29 2fkx h HIS 52 N 1.53 0.00 0.00 1.43 6.17 -1.94 -1.01 115.15 121.33 2fkx h HIS 52 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 2fkx h HIS 52 Cb 0.34 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.27 2fkx h HIS 52 CO 0.09 0.39 0.00 0.07 0.71 0.00 0.00 177.93 179.19 2fkx h ARG 53 N 0.00 0.00 -0.03 5.26 0.11 -1.97 -1.83 114.38 115.92 2fkx h ARG 53 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2fkx h ARG 53 Cb 0.72 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.80 2fkx h ARG 53 CO 0.05 0.00 0.00 0.41 0.10 0.00 0.00 179.97 180.53 2fkx n GLY 54 N -1.05 0.15 0.22 0.08 0.00 -0.38 -4.07 105.19 100.13 2fkx n GLY 54 Ca -0.02 -0.47 0.15 0.00 0.00 0.00 0.00 46.02 45.67 2fkx n GLY 54 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 2fkx h LEU 55 N 2.62 0.00 -0.53 0.99 -0.00 -1.45 -2.87 115.31 114.08 2fkx h LEU 55 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 57.88 57.73 2fkx h LEU 55 Cb 0.56 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.21 2fkx h LEU 55 CO 0.00 0.00 -0.42 -0.07 -0.00 0.00 0.00 178.44 177.95 2fkx h LEU 56 N 0.00 0.77 -1.00 0.17 3.38 -1.79 -1.59 115.31 115.25 2fkx h LEU 56 Ca 0.00 -0.36 0.02 0.00 0.09 0.00 0.00 57.88 57.63 2fkx h LEU 56 Cb 0.59 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.07 2fkx h LEU 56 CO 0.00 1.09 0.66 -0.03 0.09 0.00 0.00 178.44 180.25 2fkx h MET 57 N 0.59 1.28 -0.22 1.13 4.05 -1.78 -0.83 114.93 119.14 2fkx h MET 57 Ca 0.04 -0.08 -0.16 0.00 -0.28 0.00 0.00 59.70 59.23 2fkx h MET 57 Cb 0.97 -0.29 -0.01 0.00 -0.80 0.00 0.00 31.60 31.47 2fkx h MET 57 CO 0.09 0.85 -0.52 0.52 0.23 0.00 0.00 176.91 178.08 2fkx h MET 58 N 1.32 0.63 -0.48 0.39 2.86 -1.52 -0.91 114.93 117.22 2fkx h MET 58 Ca 0.38 -0.38 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2fkx h MET 58 Cb -0.10 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.58 2fkx h MET 58 CO -0.10 0.99 0.31 0.28 1.06 0.00 0.00 176.91 179.45 2fkx h VAL 59 N 0.49 1.13 -0.68 -2.22 2.07 -0.72 0.71 116.25 117.03 2fkx h VAL 59 Ca 0.02 -0.26 -0.06 0.00 0.82 0.00 0.00 66.70 67.22 2fkx h VAL 59 Cb 1.07 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 31.26 2fkx h VAL 59 CO 0.10 0.13 0.21 1.23 0.02 0.00 0.00 177.57 179.26 2fkx h GLY 60 N 0.65 1.13 1.65 2.17 0.00 -1.03 -2.06 103.07 105.58 2fkx h GLY 60 Ca 0.17 -0.66 -0.06 0.00 0.00 0.00 0.00 47.33 46.79 2fkx h GLY 60 CO -0.04 0.62 -0.08 -1.61 0.00 0.00 0.00 176.54 175.44 2fkx h GLN 61 N 1.01 0.43 -0.07 4.80 4.15 -0.59 -1.30 115.11 123.54 2fkx h GLN 61 Ca 0.22 -0.10 -0.13 0.00 0.77 0.00 0.00 58.65 59.41 2fkx h GLN 61 Cb 0.30 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.92 2fkx h GLN 61 CO -0.01 0.52 -0.54 0.07 -1.93 0.00 0.00 178.83 176.95 2fkx h ARG 62 N 0.41 0.21 0.00 1.69 -0.00 -0.33 0.62 114.38 116.98 2fkx h ARG 62 Ca 0.08 -0.13 -0.02 0.00 -0.00 0.00 0.00 59.98 59.92 2fkx h ARG 62 Cb 0.39 0.01 -0.00 0.00 -0.00 0.00 0.00 29.97 30.37 2fkx h ARG 62 CO 0.02 0.70 -0.13 -0.09 -0.00 0.00 0.00 179.97 180.47 2fkx h ARG 63 N 0.17 0.00 -0.03 0.08 2.43 -0.72 -3.33 114.38 112.98 2fkx h ARG 63 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2fkx h ARG 63 Cb 1.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.55 2fkx h ARG 63 CO 0.08 0.08 0.00 0.54 -1.51 0.00 0.00 179.97 179.16 2fkx n ARG 64 N -3.10 0.24 0.23 0.20 5.12 -0.55 -4.72 116.66 114.07 2fkx n ARG 64 Ca 0.03 -0.99 0.06 0.00 -1.93 0.00 0.00 57.85 55.02 2fkx n ARG 64 Cb 0.57 -1.13 0.51 0.00 -1.16 0.00 0.00 32.46 31.25 2fkx n ARG 64 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 2fkx h LEU 65 N 1.30 0.00 -2.18 0.55 5.85 0.14 -1.12 115.31 119.84 2fkx h LEU 65 Ca 0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 2fkx h LEU 65 Cb 0.32 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.34 2fkx h LEU 65 CO 0.00 0.18 -0.05 0.17 -0.34 0.00 0.00 178.44 178.41 2fkx h LEU 66 N 0.00 0.00 -0.16 2.25 -0.00 -1.84 0.48 115.31 116.04 2fkx h LEU 66 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2fkx h LEU 66 Cb 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.99 2fkx h LEU 66 CO 0.02 0.05 0.00 0.54 -0.00 0.00 0.00 178.44 179.05 2fkx n ARG 67 N -3.98 0.24 -0.10 0.17 5.12 -0.43 -2.17 116.66 115.52 2fkx n ARG 67 Ca -0.03 0.26 -0.12 0.00 -1.93 0.00 0.00 57.85 56.03 2fkx n ARG 67 Cb 0.13 -1.81 -0.15 0.00 -1.16 0.00 0.00 32.46 29.47 2fkx n ARG 67 CO 0.00 0.00 0.00 0.98 -1.93 0.00 0.00 177.63 176.68 2fkx n TYR 68 N -2.24 0.09 -0.22 -1.55 9.36 0.09 -4.22 117.16 118.47 2fkx n TYR 68 Ca 0.05 0.03 -0.01 0.00 3.32 0.00 0.00 57.90 61.28 2fkx n TYR 68 Cb 0.38 -1.01 0.10 0.00 -0.63 0.00 0.00 39.34 38.18 2fkx n TYR 68 CO 0.00 0.00 0.00 1.25 0.22 0.00 0.00 176.86 178.33 2fkx h LEU 69 N 0.00 0.47 -2.01 2.98 5.85 0.07 0.08 115.31 122.74 2fkx h LEU 69 Ca -0.54 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.21 2fkx h LEU 69 Cb 2.15 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 43.13 2fkx h LEU 69 CO 0.01 0.29 -0.05 0.06 -0.34 0.00 0.00 178.44 178.41 2fkx h GLN 70 N 0.61 0.00 0.00 1.25 3.07 -1.63 -1.45 115.11 116.95 2fkx h GLN 70 Ca 0.30 0.00 -0.10 0.00 0.09 0.00 0.00 58.65 58.94 2fkx h GLN 70 Cb 0.24 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.79 2fkx h GLN 70 CO -0.21 0.05 -0.52 -0.09 0.09 0.00 0.00 178.83 178.15 2fkx h ARG 71 N 0.00 0.00 -0.00 0.06 9.65 -1.17 -2.33 114.38 120.59 2fkx h ARG 71 Ca -0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2fkx h ARG 71 Cb 0.33 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.91 2fkx h ARG 71 CO 0.01 0.47 -0.12 0.39 2.80 0.00 0.00 179.97 183.51 2fkx n GLU 72 N -3.20 0.39 0.00 0.20 1.02 -0.56 -4.75 120.64 113.74 2fkx n GLU 72 Ca 0.02 -0.11 0.00 0.00 -0.02 0.00 0.00 57.16 57.05 2fkx n GLU 72 Cb 0.73 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.65 2fkx n GLU 72 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2fkx n ASP 73 N -1.21 0.00 0.27 1.62 -0.08 -1.16 -5.04 116.55 110.96 2fkx n ASP 73 Ca 0.11 0.00 0.16 0.00 -1.51 0.00 0.00 54.79 53.55 2fkx n ASP 73 Cb 0.29 0.00 0.67 0.00 2.34 0.00 0.00 41.12 44.42 2fkx n ASP 73 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2fkx h PRO 74 N 0.00 0.00 0.07 -0.67 0.13 -1.70 -2.57 132.00 127.26 2fkx h PRO 74 Ca 0.00 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.82 2fkx h PRO 74 Cb 0.00 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.10 2fkx h PRO 74 CO 0.00 0.06 -1.72 1.49 -0.23 0.00 0.00 178.00 177.60 2fkx h GLU 75 N 0.00 0.15 -0.51 0.86 4.81 -1.95 -3.26 114.58 114.68 2fkx h GLU 75 Ca -0.00 -0.25 -0.02 0.00 -0.13 0.00 0.00 59.36 58.96 2fkx h GLU 75 Cb 0.52 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.97 2fkx h GLU 75 CO 0.01 0.90 0.25 0.00 -0.73 0.00 0.00 179.01 179.43 2fkx h ARG 76 N 0.04 0.70 -0.04 1.92 2.47 -1.90 -2.34 114.38 115.23 2fkx h ARG 76 Ca -0.31 -0.08 0.01 0.00 -1.26 0.00 0.00 59.98 58.34 2fkx h ARG 76 Cb 2.01 -0.14 -0.02 0.00 -1.65 0.00 0.00 29.97 30.17 2fkx h ARG 76 CO 0.11 0.54 -0.17 -0.92 0.56 0.00 0.00 179.97 180.09 2fkx h TYR 77 N 0.71 -0.49 -0.43 3.04 3.20 -1.50 0.21 116.97 121.70 2fkx h TYR 77 Ca 0.18 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.04 2fkx h TYR 77 Cb 0.07 0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.54 2fkx h TYR 77 CO 0.01 -0.17 0.16 0.07 -1.64 0.00 0.00 178.16 176.59 2fkx h ARG 78 N -0.18 0.62 0.03 1.82 0.11 -1.61 -0.90 114.38 114.27 2fkx h ARG 78 Ca 0.01 -0.09 -0.21 0.00 0.10 0.00 0.00 59.98 59.79 2fkx h ARG 78 Cb 0.21 -0.11 -0.02 0.00 1.11 0.00 0.00 29.97 31.16 2fkx h ARG 78 CO -0.13 0.52 -0.99 0.00 0.10 0.00 0.00 179.97 179.47 2fkx h ALA 79 N 1.57 0.39 0.00 0.08 0.00 -1.12 -2.08 119.26 118.09 2fkx h ALA 79 Ca 0.15 -0.82 -0.12 0.00 0.00 0.00 0.00 54.91 54.12 2fkx h ALA 79 Cb 0.14 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2fkx h ALA 79 CO -0.01 1.05 -0.55 -0.07 0.00 0.00 0.00 179.25 179.67 2fkx h LEU 80 N 0.05 0.00 -0.43 0.00 3.38 -0.22 0.25 115.31 118.34 2fkx h LEU 80 Ca -0.05 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.78 2fkx h LEU 80 Cb 1.68 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.41 2fkx h LEU 80 CO 0.14 0.55 -0.67 0.16 0.09 0.00 0.00 178.44 178.71 2fkx h ILE 81 N 0.00 1.32 -0.09 1.22 -0.00 -1.07 -1.70 117.51 117.19 2fkx h ILE 81 Ca -0.01 -2.44 -0.14 0.00 -0.00 0.00 0.00 64.86 62.28 2fkx h ILE 81 Cb 1.20 2.37 0.01 0.00 -0.00 0.00 0.00 36.82 40.40 2fkx h ILE 81 CO 0.07 0.66 -0.49 -0.08 -0.00 0.00 0.00 178.15 178.31 2fkx h GLU 82 N 0.00 0.49 0.22 0.16 4.81 -1.19 0.61 114.58 119.68 2fkx h GLU 82 Ca -0.01 -0.41 -0.01 0.00 -0.13 0.00 0.00 59.36 58.81 2fkx h GLU 82 Cb 1.32 0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.78 2fkx h GLU 82 CO 0.09 1.04 -0.14 0.87 -0.73 0.00 0.00 179.01 180.14 2fkx h LYS 83 N 0.07 -0.34 0.00 1.92 1.57 -0.76 -2.92 116.57 116.11 2fkx h LYS 83 Ca -0.04 0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.70 2fkx h LYS 83 Cb 1.14 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.52 2fkx h LYS 83 CO 0.10 -0.23 -0.30 -0.07 -0.57 0.00 0.00 179.45 178.39 2fkx h LEU 84 N -0.35 0.00 -2.88 2.94 3.38 -1.41 -3.46 115.31 113.52 2fkx h LEU 84 Ca -0.02 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 2fkx h LEU 84 Cb 0.29 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.07 2fkx h LEU 84 CO 0.02 0.30 -0.12 0.61 0.09 0.00 0.00 178.44 179.34 2fkx n GLY 85 N 0.51 0.19 0.08 0.83 0.00 -0.33 -4.91 105.19 101.55 2fkx n GLY 85 Ca 0.01 -0.09 -0.07 0.00 0.00 0.00 0.00 46.02 45.86 2fkx n GLY 85 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2fkx h ILE 86 N -0.12 1.00 0.00 -0.61 2.04 -1.24 -3.32 117.51 115.26 2fkx h ILE 86 Ca -0.08 -2.79 0.00 0.00 1.00 0.00 0.00 64.86 62.99 2fkx h ILE 86 Cb 1.04 2.48 0.00 0.00 -0.74 0.00 0.00 36.82 39.60 2fkx h ILE 86 CO 0.08 0.57 -1.67 0.54 0.00 0.00 0.00 178.15 177.67 2fkx n ARG 87 N -3.10 0.64 0.00 2.37 1.74 -1.26 -5.12 116.66 111.93 2fkx n ARG 87 Ca -0.12 -0.14 0.00 0.00 -0.77 0.00 0.00 57.85 56.82 2fkx n ARG 87 Cb 1.01 -1.43 0.00 0.00 -1.02 0.00 0.00 32.46 31.01 2fkx n ARG 87 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52