#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 0.08 0.63 0.52 1.01 -1.26 -5.03 121.20 117.15 2fkx s ILE 2 Ca 0.00 -0.67 -0.01 0.00 0.00 0.00 0.00 60.65 59.97 2fkx s ILE 2 Cb 0.00 -0.60 0.07 0.00 0.01 0.00 0.00 42.46 41.94 2fkx s ILE 2 CO 0.00 -0.37 0.89 0.42 0.00 0.00 0.00 174.94 175.88 2fkx s THR 3 N -1.64 2.43 0.12 2.92 -4.23 -1.26 -4.80 115.64 109.18 2fkx s THR 3 Ca -0.12 -0.57 -0.32 0.00 -1.18 0.00 0.00 61.69 59.50 2fkx s THR 3 Cb -0.05 -2.86 -0.11 0.00 1.34 0.00 0.00 72.50 70.82 2fkx s THR 3 CO 0.01 0.00 1.57 0.11 -0.54 0.00 0.00 174.62 175.77 2fkx h LYS 4 N -0.25 -0.61 -0.00 3.99 1.79 -2.02 0.55 116.57 120.02 2fkx h LYS 4 Ca -0.41 0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.10 2fkx h LYS 4 Cb 1.29 0.14 0.00 0.00 -1.58 0.00 0.00 32.23 32.08 2fkx h LYS 4 CO 0.50 -0.41 -0.08 -1.91 -1.08 0.00 0.00 179.45 176.47 2fkx n GLU 5 N -5.46 0.46 0.03 3.15 2.13 -1.26 -1.63 120.64 118.05 2fkx n GLU 5 Ca -0.07 -0.10 -0.19 0.00 0.66 0.00 0.00 57.16 57.47 2fkx n GLU 5 Cb 0.39 -1.50 -0.14 0.00 0.27 0.00 0.00 31.44 30.46 2fkx n GLU 5 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 2fkx h GLU 6 N 0.24 0.27 -0.35 5.31 4.39 -1.62 -2.49 114.58 120.31 2fkx h GLU 6 Ca 0.00 -0.43 -0.03 0.00 0.34 0.00 0.00 59.36 59.25 2fkx h GLU 6 Cb 0.35 0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 29.14 2fkx h GLU 6 CO 0.00 1.19 0.12 -0.22 -1.16 0.00 0.00 179.01 178.94 2fkx h LYS 7 N -0.43 0.55 -0.31 2.33 3.64 0.25 -2.49 116.57 120.11 2fkx h LYS 7 Ca -0.11 -0.11 0.03 0.00 -1.27 0.00 0.00 60.65 59.18 2fkx h LYS 7 Cb 1.51 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 33.22 2fkx h LYS 7 CO 0.13 0.56 0.12 1.96 -2.27 0.00 0.00 179.45 179.95 2fkx h GLN 8 N 0.42 0.25 -0.71 1.90 4.20 -1.37 -2.01 115.11 117.79 2fkx h GLN 8 Ca 0.12 -0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.82 2fkx h GLN 8 Cb 0.24 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 27.92 2fkx h GLN 8 CO -0.00 0.17 0.47 -0.22 -0.67 0.00 0.00 178.83 178.58 2fkx h LYS 9 N 0.26 0.94 -0.50 1.46 3.64 -1.26 -0.22 116.57 120.89 2fkx h LYS 9 Ca 0.13 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.41 2fkx h LYS 9 Cb 0.09 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 31.68 2fkx h LYS 9 CO -0.13 0.62 0.14 0.28 -2.27 0.00 0.00 179.45 178.09 2fkx h VAL 10 N 0.97 1.23 -0.26 2.00 2.07 -0.97 0.01 116.25 121.30 2fkx h VAL 10 Ca 0.26 -0.81 -0.10 0.00 0.82 0.00 0.00 66.70 66.88 2fkx h VAL 10 Cb -0.11 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 2fkx h VAL 10 CO -0.06 0.29 -0.25 0.40 0.02 0.00 0.00 177.57 177.98 2fkx h ILE 11 N 0.68 1.27 -0.10 4.57 5.03 -0.76 -1.25 117.51 126.94 2fkx h ILE 11 Ca 0.16 -1.27 -0.20 0.00 -0.12 0.00 0.00 64.86 63.43 2fkx h ILE 11 Cb 0.30 1.35 -0.00 0.00 -3.03 0.00 0.00 36.82 35.44 2fkx h ILE 11 CO -0.00 0.40 -0.74 1.56 -0.68 0.00 0.00 178.15 178.69 2fkx h GLN 12 N 0.44 0.52 0.01 2.37 4.20 -0.85 -3.11 115.11 118.69 2fkx h GLN 12 Ca 0.06 -0.43 -0.16 0.00 0.06 0.00 0.00 58.65 58.19 2fkx h GLN 12 Cb 0.67 0.09 0.01 0.00 0.30 0.00 0.00 27.48 28.55 2fkx h GLN 12 CO 0.05 1.06 -0.62 1.49 -0.67 0.00 0.00 178.83 180.14 2fkx h GLU 13 N 0.36 0.41 0.00 1.46 4.81 -0.65 -3.41 114.58 117.56 2fkx h GLU 13 Ca -0.04 -0.45 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 2fkx h GLU 13 Cb 1.33 0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.84 2fkx h GLU 13 CO 0.14 1.11 0.00 1.19 -0.73 0.00 0.00 179.01 180.72 2fkx n PHE 14 N -4.21 0.00 -2.23 0.92 3.72 -0.50 -5.00 117.46 110.16 2fkx n PHE 14 Ca -0.11 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.29 2fkx n PHE 14 Cb 0.68 -0.18 0.00 0.00 -0.94 0.00 0.00 39.48 39.04 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 -1.04 -1.42 1.83 4.37 0.00 -0.20 -4.81 120.51 119.25 2fkx n ALA 15 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 2fkx n ALA 15 Cb 0.00 -0.34 0.62 0.00 0.00 0.00 0.00 19.45 19.73 2fkx n ALA 15 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2fkx n ARG 16 N 1.42 1.17 -3.65 0.00 1.85 -1.26 -4.57 116.66 111.62 2fkx n ARG 16 Ca 0.00 -0.25 -0.15 0.00 -1.00 0.00 0.00 57.85 56.45 2fkx n ARG 16 Cb 0.21 -1.37 -0.08 0.00 -1.05 0.00 0.00 32.46 30.17 2fkx n ARG 16 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 2fkx s PHE 17 N -1.97 -0.62 0.57 2.89 0.08 -1.26 -5.02 117.98 112.66 2fkx s PHE 17 Ca 0.34 1.40 0.42 0.00 0.12 0.00 0.00 56.93 59.21 2fkx s PHE 17 Cb 0.16 0.25 2.28 0.00 -0.57 0.00 0.00 43.02 45.15 2fkx s PHE 17 CO 0.27 -0.39 2.28 -1.35 -0.10 0.00 0.00 175.22 175.94 2fkx h PRO 18 N 4.62 0.00 -0.00 0.24 0.11 -1.98 -0.15 132.00 134.83 2fkx h PRO 18 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 2fkx h PRO 18 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2fkx h PRO 18 CO 0.20 0.00 -0.87 0.41 -0.21 0.00 0.00 178.00 177.53 2fkx n GLY 19 N -1.11 -0.92 3.99 -0.55 0.00 -1.26 -4.94 105.19 100.40 2fkx n GLY 19 Ca -0.03 -0.57 -0.23 0.00 0.00 0.00 0.00 46.02 45.19 2fkx n GLY 19 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2fkx s ASP 20 N -2.94 4.48 -0.05 1.61 -1.08 -0.07 -5.00 116.67 113.62 2fkx s ASP 20 Ca 0.10 -0.36 0.14 0.00 -0.52 0.00 0.00 52.55 51.90 2fkx s ASP 20 Cb 0.16 -0.07 -0.21 0.00 -1.46 0.00 0.00 42.92 41.34 2fkx s ASP 20 CO 0.81 -1.76 0.24 0.35 0.52 0.00 0.00 175.17 175.33 2fkx n THR 21 N -2.75 0.25 0.00 1.71 -2.24 -1.26 -4.56 114.28 105.42 2fkx n THR 21 Ca 0.14 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 2fkx n THR 21 Cb 0.61 -0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.79 2fkx n THR 21 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2fkx n GLY 22 N 1.82 0.99 5.82 3.38 0.00 -1.26 -1.03 105.19 114.90 2fkx n GLY 22 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 0.00 0.00 -0.06 1.61 2.88 -1.26 -2.43 113.62 114.36 2fkx n SER 23 Ca 0.00 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.32 2fkx n SER 23 Cb 0.00 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.34 2fkx n SER 23 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2fkx n THR 24 N 0.00 1.64 -0.22 2.46 -2.24 -1.26 -3.90 114.28 110.77 2fkx n THR 24 Ca 0.00 -0.34 -0.00 0.00 -2.27 0.00 0.00 64.05 61.43 2fkx n THR 24 Cb 0.00 -1.87 0.11 0.00 -2.10 0.00 0.00 70.33 66.47 2fkx n THR 24 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2fkx h GLU 25 N -0.50 0.50 -0.10 -0.78 3.07 -1.89 -0.73 114.58 114.15 2fkx h GLU 25 Ca -0.42 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 58.40 2fkx h GLU 25 Cb 1.67 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 29.46 2fkx h GLU 25 CO -0.09 0.33 -0.01 -0.24 -1.40 0.00 0.00 179.01 177.59 2fkx h VAL 26 N 0.51 1.08 0.19 3.13 3.04 -1.74 0.40 116.25 122.86 2fkx h VAL 26 Ca 0.31 -0.30 -0.32 0.00 -1.01 0.00 0.00 66.70 65.39 2fkx h VAL 26 Cb 0.33 1.02 0.02 0.00 -2.01 0.00 0.00 31.29 30.65 2fkx h VAL 26 CO -0.26 0.10 -1.45 -0.61 -1.01 0.00 0.00 177.57 174.33 2fkx h GLN 27 N 0.14 0.40 0.00 4.17 4.15 -1.32 -2.17 115.11 120.48 2fkx h GLN 27 Ca 0.03 -0.68 -0.07 0.00 0.77 0.00 0.00 58.65 58.71 2fkx h GLN 27 Cb 0.12 0.25 -0.01 0.00 0.21 0.00 0.00 27.48 28.05 2fkx h GLN 27 CO 0.00 1.31 -0.31 0.28 -1.93 0.00 0.00 178.83 178.18 2fkx h VAL 28 N 0.11 0.98 -0.43 2.39 2.07 -0.86 0.33 116.25 120.84 2fkx h VAL 28 Ca -0.23 -1.17 -0.08 0.00 0.82 0.00 0.00 66.70 66.04 2fkx h VAL 28 Cb 2.08 1.68 -0.01 0.00 -1.52 0.00 0.00 31.29 33.51 2fkx h VAL 28 CO 0.23 0.31 -0.05 0.00 0.02 0.00 0.00 177.57 178.07 2fkx h ALA 29 N 1.69 0.58 0.00 1.67 0.00 -0.81 0.07 119.26 122.46 2fkx h ALA 29 Ca -0.00 -0.29 -0.14 0.00 0.00 0.00 0.00 54.91 54.47 2fkx h ALA 29 Cb 0.65 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2fkx h ALA 29 CO 0.04 0.41 -0.68 1.37 0.00 0.00 0.00 179.25 180.40 2fkx h LEU 30 N 0.62 0.00 -0.84 0.00 8.10 -0.72 -1.08 115.31 121.38 2fkx h LEU 30 Ca 0.12 0.00 -0.10 0.00 0.11 0.00 0.00 57.88 58.00 2fkx h LEU 30 Cb 0.56 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.76 2fkx h LEU 30 CO 0.03 0.68 -0.27 0.17 -4.11 0.00 0.00 178.44 174.94 2fkx h LEU 31 N 0.00 0.57 -0.27 0.17 8.10 -0.13 -0.25 115.31 123.49 2fkx h LEU 31 Ca -0.01 -0.20 -0.20 0.00 0.11 0.00 0.00 57.88 57.58 2fkx h LEU 31 Cb 1.30 -0.16 0.00 0.00 -0.44 0.00 0.00 40.66 41.36 2fkx h LEU 31 CO 0.09 0.82 -0.72 0.74 -4.11 0.00 0.00 178.44 175.25 2fkx h THR 32 N 0.49 1.31 -0.80 0.15 2.02 -0.81 -1.03 112.91 114.23 2fkx h THR 32 Ca 0.07 -1.98 -0.00 0.00 0.77 0.00 0.00 66.41 65.27 2fkx h THR 32 Cb 0.72 1.96 -0.04 0.00 -1.74 0.00 0.00 68.15 69.05 2fkx h THR 32 CO 0.05 0.62 0.50 0.25 0.37 0.00 0.00 175.52 177.31 2fkx h LEU 33 N 0.48 0.96 0.50 2.58 7.12 -0.88 0.40 115.31 126.46 2fkx h LEU 33 Ca -0.04 -0.06 -0.02 0.00 0.13 0.00 0.00 57.88 57.90 2fkx h LEU 33 Cb 1.33 -0.24 -0.00 0.00 -0.53 0.00 0.00 40.66 41.22 2fkx h LEU 33 CO 0.14 0.73 -0.30 -0.09 -0.13 0.00 0.00 178.44 178.80 2fkx h ARG 34 N 1.10 -0.73 -0.55 1.25 2.43 -0.87 -2.01 114.38 115.01 2fkx h ARG 34 Ca 0.29 0.05 0.03 0.00 -0.81 0.00 0.00 59.98 59.54 2fkx h ARG 34 Cb -0.06 0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 29.61 2fkx h ARG 34 CO -0.06 -0.48 0.32 0.82 -1.51 0.00 0.00 179.97 179.06 2fkx h ILE 35 N -0.75 1.04 0.21 1.20 2.04 -0.86 -1.61 117.51 118.76 2fkx h ILE 35 Ca -0.06 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 65.57 2fkx h ILE 35 Cb 0.61 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 37.04 2fkx h ILE 35 CO 0.07 0.11 -0.11 -1.13 0.00 0.00 0.00 178.15 177.10 2fkx h ASN 36 N 0.63 -0.26 1.32 1.72 -1.24 -0.10 0.27 115.58 117.93 2fkx h ASN 36 Ca 0.22 0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.25 2fkx h ASN 36 Cb 0.05 0.07 0.00 0.00 0.73 0.00 0.00 38.32 39.17 2fkx h ASN 36 CO -0.11 -0.18 0.00 -2.11 -1.29 0.00 0.00 177.43 173.74 2fkx n ARG 37 N -5.22 0.24 -0.00 6.67 1.85 -0.77 -1.59 116.66 117.84 2fkx n ARG 37 Ca -0.09 0.24 -0.14 0.00 -1.00 0.00 0.00 57.85 56.87 2fkx n ARG 37 Cb 0.14 -1.80 -0.02 0.00 -1.05 0.00 0.00 32.46 29.73 2fkx n ARG 37 CO 0.00 0.00 0.00 1.25 -0.01 0.00 0.00 177.63 178.87 2fkx h LEU 38 N 0.00 0.77 -1.41 2.89 5.85 -0.79 -1.98 115.31 120.64 2fkx h LEU 38 Ca 0.00 -0.47 -0.06 0.00 0.84 0.00 0.00 57.88 58.19 2fkx h LEU 38 Cb 0.66 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 2fkx h LEU 38 CO 0.00 1.24 -0.28 0.28 -0.34 0.00 0.00 178.44 179.35 2fkx h SER 39 N 0.47 0.00 0.71 1.25 0.02 0.27 0.32 113.55 116.59 2fkx h SER 39 Ca -0.03 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.82 2fkx h SER 39 Cb 1.30 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.82 2fkx h SER 39 CO 0.14 0.28 -0.47 -0.08 -1.14 0.00 0.00 176.83 175.55 2fkx h GLU 40 N 0.00 0.00 0.18 3.45 4.57 -0.93 0.25 114.58 122.10 2fkx h GLU 40 Ca -0.00 0.00 -0.31 0.00 -1.18 0.00 0.00 59.36 57.86 2fkx h GLU 40 Cb 0.59 0.00 0.03 0.00 -0.16 0.00 0.00 28.75 29.22 2fkx h GLU 40 CO 0.04 0.47 -1.34 1.25 -1.18 0.00 0.00 179.01 178.25 2fkx h HIS 41 N 0.00 0.97 0.00 0.92 2.76 -0.47 -3.11 115.15 116.21 2fkx h HIS 41 Ca -0.00 -0.65 0.00 0.00 -2.20 0.00 0.00 60.37 57.51 2fkx h HIS 41 Cb 0.95 -0.06 0.00 0.00 1.55 0.00 0.00 27.41 29.85 2fkx h HIS 41 CO 0.00 1.50 0.00 1.28 -1.30 0.00 0.00 177.93 179.41 2fkx n LEU 42 N -3.74 0.00 -0.14 0.26 4.32 0.10 -0.44 117.00 117.36 2fkx n LEU 42 Ca -0.15 0.18 0.15 0.00 -0.02 0.00 0.00 56.01 56.17 2fkx n LEU 42 Cb 1.04 -0.18 0.76 0.00 -1.62 0.00 0.00 43.42 43.42 2fkx n LEU 42 CO 0.59 -0.01 0.99 1.17 -1.22 0.00 0.00 177.39 178.91 2fkx n LYS 43 N -1.18 1.03 0.03 3.23 4.81 0.87 -2.21 118.16 124.75 2fkx n LYS 43 Ca 0.17 -0.28 -0.01 0.00 -0.87 0.00 0.00 58.31 57.32 2fkx n LYS 43 Cb 0.18 -1.49 -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 -0.74 1.20 -1.81 3.15 0.31 -0.81 -4.75 118.33 114.87 2fkx n VAL 44 Ca 0.20 0.36 -0.42 0.00 -0.01 0.00 0.00 64.34 64.47 2fkx n VAL 44 Cb 0.22 -1.66 -0.00 0.00 -0.91 0.00 0.00 33.84 31.49 2fkx n VAL 44 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 2fkx n HIS 45 N -3.56 3.27 -0.34 3.52 8.25 0.42 -4.77 115.22 122.01 2fkx n HIS 45 Ca -0.02 -2.95 -0.03 0.00 -0.26 0.00 0.00 57.72 54.46 2fkx n HIS 45 Cb 0.06 -2.41 0.10 0.00 1.12 0.00 0.00 29.99 28.87 2fkx n HIS 45 CO 0.00 0.00 0.00 1.57 0.64 0.00 0.00 176.34 178.55 2fkx h LYS 46 N 5.80 1.27 -1.78 -0.41 -0.00 -1.72 -3.33 116.57 116.40 2fkx h LYS 46 Ca 0.57 -0.13 -0.50 0.00 -0.00 0.00 0.00 60.65 60.59 2fkx h LYS 46 Cb 0.59 -0.26 -0.37 0.00 -0.00 0.00 0.00 32.23 32.20 2fkx h LYS 46 CO 1.82 0.90 -1.06 1.63 -0.00 0.00 0.00 179.45 182.73 2fkx n LYS 47 N -4.34 0.79 -0.12 0.07 5.02 -1.26 -4.83 118.16 113.49 2fkx n LYS 47 Ca 0.10 -3.11 -0.22 0.00 -2.02 0.00 0.00 58.31 53.06 2fkx n LYS 47 Cb 0.08 -1.36 -0.10 0.00 -0.02 0.00 0.00 35.03 33.63 2fkx n LYS 47 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2fkx n ASP 48 N 1.09 1.97 -0.57 4.39 2.03 -1.25 -5.10 116.55 119.10 2fkx n ASP 48 Ca 0.21 0.10 0.00 0.00 0.52 0.00 0.00 54.79 55.62 2fkx n ASP 48 Cb 0.58 -0.57 0.00 0.00 -0.72 0.00 0.00 41.12 40.41 2fkx n ASP 48 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 2fkx n HIS 49 N -3.68 -1.52 -2.31 -0.67 8.25 -1.26 -4.88 115.22 109.14 2fkx n HIS 49 Ca -0.46 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 56.79 2fkx n HIS 49 Cb 0.90 0.22 -0.02 0.00 1.12 0.00 0.00 29.99 32.21 2fkx n HIS 49 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2fkx n HIS 50 N -1.15 -0.90 -0.08 4.41 8.25 -1.26 -4.85 115.22 119.63 2fkx n HIS 50 Ca 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.37 2fkx n HIS 50 Cb 0.00 -3.87 -0.16 0.00 1.12 0.00 0.00 29.99 27.08 2fkx n HIS 50 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 2fkx n SER 51 N -1.93 0.14 0.00 0.41 3.41 -1.26 -4.97 113.62 109.41 2fkx n SER 51 Ca -0.24 0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.43 2fkx n SER 51 Cb 0.68 0.89 0.00 0.00 -0.26 0.00 0.00 64.21 65.52 2fkx n SER 51 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 2fkx n HIS 52 N -2.77 0.00 -0.11 7.33 -0.00 -1.26 -4.78 115.22 113.63 2fkx n HIS 52 Ca -0.29 0.00 -0.01 0.00 0.46 0.00 0.00 57.72 57.88 2fkx n HIS 52 Cb 1.11 0.00 -0.00 0.00 -0.12 0.00 0.00 29.99 30.97 2fkx n HIS 52 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 2fkx n ARG 53 N 0.00 -0.09 -2.82 1.57 5.12 -1.26 -1.38 116.66 117.80 2fkx n ARG 53 Ca 0.00 0.42 -0.01 0.00 -1.93 0.00 0.00 57.85 56.33 2fkx n ARG 53 Cb 0.00 -0.62 0.05 0.00 -1.16 0.00 0.00 32.46 30.73 2fkx n ARG 53 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2fkx n GLY 54 N -1.10 1.77 0.83 -0.13 0.00 -1.26 -4.84 105.19 100.45 2fkx n GLY 54 Ca 0.02 -1.05 -0.05 0.00 0.00 0.00 0.00 46.02 44.94 2fkx n GLY 54 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2fkx n LEU 55 N -0.59 0.00 -0.35 0.99 4.77 -0.48 -4.61 117.00 116.73 2fkx n LEU 55 Ca 0.06 -0.40 0.28 0.00 -0.03 0.00 0.00 56.01 55.92 2fkx n LEU 55 Cb 0.80 -0.17 0.53 0.00 -2.33 0.00 0.00 43.42 42.26 2fkx n LEU 55 CO 0.08 -0.64 1.13 -0.07 -1.33 0.00 0.00 177.39 176.56 2fkx h LEU 56 N 0.00 0.43 0.29 2.23 4.07 -1.97 0.12 115.31 120.47 2fkx h LEU 56 Ca -0.08 0.19 -0.00 0.00 0.08 0.00 0.00 57.88 58.07 2fkx h LEU 56 Cb 0.26 0.16 -0.01 0.00 1.08 0.00 0.00 40.66 42.14 2fkx h LEU 56 CO 0.07 -0.19 -0.23 0.24 -1.08 0.00 0.00 178.44 177.25 2fkx h MET 57 N 0.22 -0.50 -0.01 1.13 2.86 -1.92 0.39 114.93 117.10 2fkx h MET 57 Ca 0.77 0.03 -0.16 0.00 -2.06 0.00 0.00 59.70 58.28 2fkx h MET 57 Cb 1.95 0.11 -0.02 0.00 0.06 0.00 0.00 31.60 33.70 2fkx h MET 57 CO -0.59 -0.33 -0.76 1.98 1.06 0.00 0.00 176.91 178.27 2fkx h MET 58 N -0.52 0.06 -0.21 1.72 -1.53 -1.26 -0.90 114.93 112.30 2fkx h MET 58 Ca -0.02 -0.06 -0.08 0.00 -3.44 0.00 0.00 59.70 56.10 2fkx h MET 58 Cb 0.46 0.02 -0.01 0.00 -0.55 0.00 0.00 31.60 31.51 2fkx h MET 58 CO -0.01 0.79 -0.21 0.28 0.14 0.00 0.00 176.91 177.90 2fkx h VAL 59 N 0.04 1.24 0.00 -5.77 2.07 -0.75 -1.29 116.25 111.79 2fkx h VAL 59 Ca -0.01 -1.10 -0.11 0.00 0.82 0.00 0.00 66.70 66.30 2fkx h VAL 59 Cb 1.33 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 32.40 2fkx h VAL 59 CO 0.10 0.34 -0.53 1.23 0.02 0.00 0.00 177.57 178.74 2fkx h GLY 60 N 0.95 0.00 2.00 2.17 0.00 0.33 -2.15 103.07 106.37 2fkx h GLY 60 Ca 0.06 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.30 2fkx h GLY 60 CO 0.04 0.00 -0.41 -1.61 0.00 0.00 0.00 176.54 174.55 2fkx h GLN 61 N 0.00 0.00 0.04 4.80 5.75 -0.09 0.31 115.11 125.92 2fkx h GLN 61 Ca -0.01 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.49 2fkx h GLN 61 Cb 1.02 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.57 2fkx h GLN 61 CO 0.07 0.41 -0.02 -0.09 -2.65 0.00 0.00 178.83 176.55 2fkx h ARG 62 N 0.00 -0.05 -0.50 1.69 2.43 -0.85 0.02 114.38 117.11 2fkx h ARG 62 Ca -0.00 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 2fkx h ARG 62 Cb 0.82 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.36 2fkx h ARG 62 CO 0.05 0.26 0.17 -0.09 -1.51 0.00 0.00 179.97 178.85 2fkx h ARG 63 N -0.37 0.73 -0.51 0.20 9.65 -1.00 -0.69 114.38 122.39 2fkx h ARG 63 Ca -0.01 -0.12 -0.10 0.00 -1.10 0.00 0.00 59.98 58.66 2fkx h ARG 63 Cb 0.33 -0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 28.77 2fkx h ARG 63 CO 0.01 0.62 -0.08 -0.09 2.80 0.00 0.00 179.97 183.23 2fkx h ARG 64 N 0.72 0.94 -0.49 0.20 2.43 -0.26 0.63 114.38 118.55 2fkx h ARG 64 Ca 0.17 -0.32 -0.13 0.00 -0.81 0.00 0.00 59.98 58.89 2fkx h ARG 64 Cb 0.19 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 2fkx h ARG 64 CO -0.01 0.98 -0.19 -0.07 -1.51 0.00 0.00 179.97 179.17 2fkx h LEU 65 N 0.85 1.01 -0.25 3.80 -0.00 -0.30 -0.24 115.31 120.18 2fkx h LEU 65 Ca 0.14 -0.37 0.01 0.00 -0.00 0.00 0.00 57.88 57.66 2fkx h LEU 65 Cb 0.62 -0.28 -0.02 0.00 -0.00 0.00 0.00 40.66 40.98 2fkx h LEU 65 CO 0.04 1.17 0.14 -0.07 -0.00 0.00 0.00 178.44 179.72 2fkx h LEU 66 N 0.86 0.23 -0.99 1.67 3.38 -0.84 -0.16 115.31 119.46 2fkx h LEU 66 Ca 0.12 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.17 2fkx h LEU 66 Cb 0.77 -0.04 -0.07 0.00 0.09 0.00 0.00 40.66 41.40 2fkx h LEU 66 CO 0.06 0.17 0.63 -0.09 0.09 0.00 0.00 178.44 179.31 2fkx h ARG 67 N 0.29 1.07 -0.29 1.13 2.43 -0.68 0.31 114.38 118.65 2fkx h ARG 67 Ca 0.10 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.17 2fkx h ARG 67 Cb 0.00 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.30 2fkx h ARG 67 CO -0.05 0.71 0.03 -0.92 -1.51 0.00 0.00 179.97 178.23 2fkx h TYR 68 N 1.11 0.52 0.24 2.20 3.20 -0.23 -3.10 116.97 120.91 2fkx h TYR 68 Ca 0.45 -0.08 -0.34 0.00 3.14 0.00 0.00 58.73 61.90 2fkx h TYR 68 Cb 0.27 -0.14 0.03 0.00 1.54 0.00 0.00 36.73 38.43 2fkx h TYR 68 CO -0.01 0.60 -1.53 -0.07 -1.64 0.00 0.00 178.16 175.52 2fkx h LEU 69 N 0.30 0.79 -1.71 2.82 -0.00 -0.63 -3.35 115.31 113.52 2fkx h LEU 69 Ca 0.09 -0.90 0.05 0.00 -0.00 0.00 0.00 57.88 57.12 2fkx h LEU 69 Cb 0.37 -0.26 -0.02 0.00 -0.00 0.00 0.00 40.66 40.75 2fkx h LEU 69 CO 0.01 1.71 0.28 0.06 -0.00 0.00 0.00 178.44 180.51 2fkx h GLN 70 N 0.14 0.35 0.00 1.13 3.07 -0.48 -2.29 115.11 117.03 2fkx h GLN 70 Ca -0.27 -0.02 -0.08 0.00 0.09 0.00 0.00 58.65 58.37 2fkx h GLN 70 Cb 2.15 -0.08 -0.01 0.00 0.08 0.00 0.00 27.48 29.62 2fkx h GLN 70 CO 0.26 0.23 -0.38 0.07 0.09 0.00 0.00 178.83 179.10 2fkx h ARG 71 N 0.36 0.00 -0.12 0.06 0.11 -1.67 -3.04 114.38 110.08 2fkx h ARG 71 Ca 0.18 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.26 2fkx h ARG 71 Cb 0.27 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.35 2fkx h ARG 71 CO -0.04 0.38 0.00 -0.85 0.10 0.00 0.00 179.97 179.56 2fkx n GLU 72 N -3.73 2.71 -3.14 0.08 0.28 -0.91 -4.83 120.64 111.09 2fkx n GLU 72 Ca -0.01 -1.93 0.06 0.00 -0.16 0.00 0.00 57.16 55.11 2fkx n GLU 72 Cb 0.46 -1.23 0.00 0.00 1.43 0.00 0.00 31.44 32.11 2fkx n GLU 72 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 2fkx s ASP 73 N -1.36 -0.18 0.47 -1.84 -1.08 -0.93 -5.05 116.67 106.71 2fkx s ASP 73 Ca 0.15 0.02 0.27 0.00 -0.52 0.00 0.00 52.55 52.47 2fkx s ASP 73 Cb 0.11 1.10 1.03 0.00 -1.46 0.00 0.00 42.92 43.69 2fkx s ASP 73 CO 0.06 -0.03 1.86 1.55 0.52 0.00 0.00 175.17 179.13 2fkx h PRO 74 N 7.07 0.00 -0.07 4.34 0.13 -1.78 -3.00 132.00 138.69 2fkx h PRO 74 Ca -0.11 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.81 2fkx h PRO 74 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2fkx h PRO 74 CO -0.14 0.15 -0.81 0.93 -0.23 0.00 0.00 178.00 177.90 2fkx h GLU 75 N 0.00 0.52 -0.23 0.86 5.08 -1.94 -2.69 114.58 116.19 2fkx h GLU 75 Ca -0.00 -0.46 -0.04 0.00 -1.00 0.00 0.00 59.36 57.86 2fkx h GLU 75 Cb 0.69 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 2fkx h GLU 75 CO 0.02 1.10 -0.03 -0.09 -1.00 0.00 0.00 179.01 179.01 2fkx h ARG 76 N 0.34 0.34 0.15 2.33 9.65 -1.87 0.14 114.38 125.45 2fkx h ARG 76 Ca -0.05 -0.06 -0.01 0.00 -1.10 0.00 0.00 59.98 58.76 2fkx h ARG 76 Cb 1.42 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 29.95 2fkx h ARG 76 CO 0.15 0.39 -0.07 -0.92 2.80 0.00 0.00 179.97 182.32 2fkx h TYR 77 N 0.33 -0.19 -0.67 2.20 3.20 -1.39 -0.45 116.97 120.01 2fkx h TYR 77 Ca 0.07 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.95 2fkx h TYR 77 Cb 0.27 0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.57 2fkx h TYR 77 CO 0.01 0.01 0.44 0.00 -1.64 0.00 0.00 178.16 176.98 2fkx h ARG 78 N -0.35 0.88 0.00 1.82 -0.00 -1.18 -1.30 114.38 114.25 2fkx h ARG 78 Ca -0.02 -0.05 -0.17 0.00 -0.50 0.00 0.00 59.98 59.24 2fkx h ARG 78 Cb 0.28 -0.20 -0.02 0.00 0.00 0.00 0.00 29.97 30.02 2fkx h ARG 78 CO 0.03 0.58 -0.80 0.00 0.00 0.00 0.00 179.97 179.78 2fkx h ALA 79 N 1.25 0.57 0.00 0.04 0.00 -0.90 -1.91 119.26 118.30 2fkx h ALA 79 Ca 0.25 -0.73 -0.06 0.00 0.00 0.00 0.00 54.91 54.36 2fkx h ALA 79 Cb -0.10 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2fkx h ALA 79 CO -0.05 1.00 -0.29 1.25 0.00 0.00 0.00 179.25 181.16 2fkx h LEU 80 N 0.00 0.00 0.00 0.00 5.85 -0.84 -0.90 115.31 119.42 2fkx h LEU 80 Ca -0.01 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.64 2fkx h LEU 80 Cb 1.52 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.54 2fkx h LEU 80 CO 0.10 0.29 -0.58 0.16 -0.34 0.00 0.00 178.44 178.08 2fkx h ILE 81 N 0.00 0.45 -0.07 4.05 -0.00 -1.11 0.97 117.51 121.80 2fkx h ILE 81 Ca -0.00 -1.69 -0.02 0.00 -0.00 0.00 0.00 64.86 63.16 2fkx h ILE 81 Cb 1.10 2.12 -0.00 0.00 -0.00 0.00 0.00 36.82 40.04 2fkx h ILE 81 CO 0.04 0.26 -0.02 -0.08 -0.00 0.00 0.00 178.15 178.35 2fkx h GLU 82 N 0.00 0.13 0.00 0.16 4.57 -1.11 0.33 114.58 118.66 2fkx h GLU 82 Ca -0.03 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.10 2fkx h GLU 82 Cb 1.26 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.84 2fkx h GLU 82 CO 0.04 0.47 0.00 0.87 -1.18 0.00 0.00 179.01 179.21 2fkx h LYS 83 N -0.22 0.00 0.00 1.92 1.79 -1.01 -2.59 116.57 116.47 2fkx h LYS 83 Ca 0.02 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.36 2fkx h LYS 83 Cb 0.43 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.06 2fkx h LYS 83 CO 0.01 0.00 -0.78 -0.07 -1.08 0.00 0.00 179.45 177.52 2fkx h LEU 84 N 0.00 0.00 -0.04 2.94 3.38 -0.81 -3.48 115.31 117.30 2fkx h LEU 84 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2fkx h LEU 84 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 2fkx h LEU 84 CO 0.00 0.53 0.00 0.61 0.09 0.00 0.00 178.44 179.67 2fkx n GLY 85 N 1.28 1.39 0.12 0.83 0.00 -0.82 -4.99 105.19 103.00 2fkx n GLY 85 Ca -0.01 -0.05 0.02 0.00 0.00 0.00 0.00 46.02 45.98 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 0.00 0.66 -0.01 -0.61 1.08 -0.57 -3.00 117.51 115.05 2fkx h ILE 86 Ca 0.00 -2.06 0.00 0.00 -0.39 0.00 0.00 64.86 62.41 2fkx h ILE 86 Cb 0.06 2.21 0.00 0.00 -3.07 0.00 0.00 36.82 36.02 2fkx h ILE 86 CO 0.00 0.38 -0.30 0.54 -0.69 0.00 0.00 178.15 178.08 2fkx n ARG 87 N -3.05 1.17 0.00 2.37 1.74 -1.22 -5.03 116.66 112.65 2fkx n ARG 87 Ca -0.03 -0.84 0.11 0.00 -0.77 0.00 0.00 57.85 56.32 2fkx n ARG 87 Cb 0.77 -1.48 0.09 0.00 -1.02 0.00 0.00 32.46 30.82 2fkx n ARG 87 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52