#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fkx n ILE 2 N 0.00 1.03 0.00 0.52 5.41 -1.26 -4.98 119.36 120.07 2fkx n ILE 2 Ca 0.00 -0.40 0.00 0.00 1.00 0.00 0.00 62.75 63.35 2fkx n ILE 2 Cb 0.00 -1.13 0.00 0.00 -0.71 0.00 0.00 39.64 37.80 2fkx n ILE 2 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 2fkx n THR 3 N -3.02 0.00 0.03 1.39 -1.04 -1.26 -4.54 114.28 105.84 2fkx n THR 3 Ca -0.32 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 61.55 2fkx n THR 3 Cb 0.84 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 69.26 2fkx n THR 3 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 2fkx h LYS 4 N 0.00 -0.58 -0.03 -2.82 1.79 -1.99 0.21 116.57 113.15 2fkx h LYS 4 Ca 0.00 0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 2fkx h LYS 4 Cb 0.00 0.13 0.00 0.00 -1.58 0.00 0.00 32.23 30.78 2fkx h LYS 4 CO 0.00 -0.39 0.00 0.39 -1.08 0.00 0.00 179.45 178.37 2fkx n GLU 5 N -5.27 1.74 0.10 3.15 1.02 -1.26 -1.85 120.64 118.28 2fkx n GLU 5 Ca -0.06 -1.08 -0.24 0.00 -0.02 0.00 0.00 57.16 55.76 2fkx n GLU 5 Cb 0.37 -1.47 -0.15 0.00 -0.02 0.00 0.00 31.44 30.16 2fkx n GLU 5 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2fkx h GLU 6 N 2.60 0.46 -0.01 3.49 5.08 -1.69 -1.69 114.58 122.81 2fkx h GLU 6 Ca 0.00 -0.79 -0.22 0.00 -1.00 0.00 0.00 59.36 57.35 2fkx h GLU 6 Cb 0.55 0.29 0.00 0.00 0.50 0.00 0.00 28.75 30.10 2fkx h GLU 6 CO 0.00 1.38 -0.92 -0.22 -1.00 0.00 0.00 179.01 178.25 2fkx h LYS 7 N 0.12 0.44 -0.86 2.33 3.64 -0.67 -2.74 116.57 118.82 2fkx h LYS 7 Ca -0.31 -0.45 0.03 0.00 -1.27 0.00 0.00 60.65 58.66 2fkx h LYS 7 Cb 2.13 0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 34.02 2fkx h LYS 7 CO 0.22 1.11 0.55 0.37 -2.27 0.00 0.00 179.45 179.43 2fkx h GLN 8 N 0.25 1.04 -0.73 1.90 4.15 -1.39 0.11 115.11 120.45 2fkx h GLN 8 Ca -0.08 -0.06 -0.03 0.00 0.77 0.00 0.00 58.65 59.25 2fkx h GLN 8 Cb 1.55 -0.23 -0.03 0.00 0.21 0.00 0.00 27.48 28.97 2fkx h GLN 8 CO 0.16 0.69 0.33 -0.22 -1.93 0.00 0.00 178.83 177.86 2fkx h LYS 9 N 1.07 1.06 -0.57 1.69 3.64 -1.20 0.35 116.57 122.61 2fkx h LYS 9 Ca 0.34 -0.17 -0.01 0.00 -1.27 0.00 0.00 60.65 59.54 2fkx h LYS 9 Cb 0.02 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 31.63 2fkx h LYS 9 CO -0.12 0.85 0.31 0.28 -2.27 0.00 0.00 179.45 178.50 2fkx h VAL 10 N 1.03 1.19 -0.56 2.00 2.07 -0.99 -0.15 116.25 120.85 2fkx h VAL 10 Ca 0.25 -0.50 -0.06 0.00 0.82 0.00 0.00 66.70 67.22 2fkx h VAL 10 Cb 0.15 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 2fkx h VAL 10 CO -0.03 0.21 0.13 0.40 0.02 0.00 0.00 177.57 178.30 2fkx h ILE 11 N 0.77 1.25 0.00 4.57 5.03 -0.30 -2.01 117.51 126.82 2fkx h ILE 11 Ca 0.20 -0.89 0.00 0.00 -0.12 0.00 0.00 64.86 64.05 2fkx h ILE 11 Cb 0.06 0.75 0.00 0.00 -3.03 0.00 0.00 36.82 34.60 2fkx h ILE 11 CO -0.03 0.33 0.00 1.56 -0.68 0.00 0.00 178.15 179.33 2fkx h GLN 12 N 0.80 0.00 0.15 2.37 4.20 -0.05 0.35 115.11 122.92 2fkx h GLN 12 Ca 0.18 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.58 2fkx h GLN 12 Cb 0.35 0.00 0.03 0.00 0.30 0.00 0.00 27.48 28.16 2fkx h GLN 12 CO 0.00 0.00 -1.29 1.49 -0.67 0.00 0.00 178.83 178.37 2fkx h GLU 13 N 0.00 0.57 0.00 1.46 4.57 -0.32 -3.42 114.58 117.44 2fkx h GLU 13 Ca 0.00 -0.81 0.00 0.00 -1.18 0.00 0.00 59.36 57.37 2fkx h GLU 13 Cb 0.52 0.28 0.00 0.00 -0.16 0.00 0.00 28.75 29.39 2fkx h GLU 13 CO 0.00 1.37 0.00 1.19 -1.18 0.00 0.00 179.01 180.39 2fkx n PHE 14 N -3.75 0.00 -1.85 0.92 3.01 -0.90 -4.98 117.46 109.91 2fkx n PHE 14 Ca -0.14 0.00 -0.36 0.00 1.01 0.00 0.00 57.45 57.96 2fkx n PHE 14 Cb 1.01 -0.09 0.05 0.00 -0.01 0.00 0.00 39.48 40.45 2fkx n PHE 14 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2fkx s ALA 15 N -3.61 2.43 -1.76 4.37 0.00 0.12 -4.94 121.76 118.37 2fkx s ALA 15 Ca 0.00 1.03 0.20 0.00 0.00 0.00 0.00 51.96 53.20 2fkx s ALA 15 Cb 0.00 -3.48 -0.03 0.00 0.00 0.00 0.00 23.12 19.62 2fkx s ALA 15 CO 0.00 -1.39 0.99 0.54 0.00 0.00 0.00 175.76 175.90 2fkx n ARG 16 N -1.86 1.33 -3.86 0.00 5.12 -1.26 -4.24 116.66 111.88 2fkx n ARG 16 Ca 0.14 -0.86 -0.09 0.00 -1.93 0.00 0.00 57.85 55.11 2fkx n ARG 16 Cb 0.49 -1.41 -0.08 0.00 -1.16 0.00 0.00 32.46 30.31 2fkx n ARG 16 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 2fkx s PHE 17 N -2.32 0.12 -0.04 -1.55 0.08 -1.26 -5.00 117.98 108.02 2fkx s PHE 17 Ca 0.16 -0.46 0.30 0.00 0.12 0.00 0.00 56.93 57.05 2fkx s PHE 17 Cb 0.16 -0.06 1.40 0.00 -0.57 0.00 0.00 43.02 43.95 2fkx s PHE 17 CO 0.54 -0.48 1.91 -1.35 -0.10 0.00 0.00 175.22 175.73 2fkx h PRO 18 N 3.12 0.00 0.00 0.24 0.11 -1.96 -1.16 132.00 132.35 2fkx h PRO 18 Ca -0.33 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.71 2fkx h PRO 18 Cb 1.19 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 2fkx h PRO 18 CO 0.53 0.00 -1.20 0.41 -0.21 0.00 0.00 178.00 177.52 2fkx n GLY 19 N -0.44 -1.34 0.21 -0.55 0.00 -1.26 -4.02 105.19 97.79 2fkx n GLY 19 Ca 0.00 -0.19 0.01 0.00 0.00 0.00 0.00 46.02 45.84 2fkx n GLY 19 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2fkx n ASP 20 N -2.76 0.51 -0.06 1.61 2.03 -0.44 -2.30 116.55 115.14 2fkx n ASP 20 Ca -0.04 -2.01 0.12 0.00 0.52 0.00 0.00 54.79 53.37 2fkx n ASP 20 Cb 0.68 -0.15 0.22 0.00 -0.72 0.00 0.00 41.12 41.15 2fkx n ASP 20 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 2fkx n THR 21 N -0.27 0.00 1.18 5.18 5.66 -1.23 -3.15 114.28 121.65 2fkx n THR 21 Ca 0.02 -0.03 0.14 0.00 -3.05 0.00 0.00 64.05 61.12 2fkx n THR 21 Cb 0.11 0.40 0.66 0.00 -1.55 0.00 0.00 70.33 69.94 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 1.47 -1.30 3.75 1.09 0.00 -0.97 -4.46 105.19 104.76 2fkx n GLY 22 Ca 0.07 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 2fkx n GLY 22 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2fkx s SER 23 N -2.73 7.12 0.33 1.61 0.01 -1.19 -4.94 113.70 113.91 2fkx s SER 23 Ca 0.21 2.27 0.04 0.00 1.31 0.00 0.00 55.95 59.79 2fkx s SER 23 Cb 0.18 -2.62 0.67 0.00 0.21 0.00 0.00 66.02 64.47 2fkx s SER 23 CO 0.45 -0.32 1.90 0.74 0.41 0.00 0.00 173.24 176.42 2fkx h THR 24 N 3.52 0.96 -0.45 1.44 2.02 -1.91 -1.62 112.91 116.88 2fkx h THR 24 Ca -0.45 -0.30 0.07 0.00 0.77 0.00 0.00 66.41 66.50 2fkx h THR 24 Cb 1.21 0.03 -0.06 0.00 -1.74 0.00 0.00 68.15 67.59 2fkx h THR 24 CO 0.72 0.16 0.12 -0.33 0.37 0.00 0.00 175.52 176.56 2fkx h GLU 25 N 0.86 0.26 0.00 6.66 3.07 -1.95 -0.92 114.58 122.56 2fkx h GLU 25 Ca 0.41 -0.02 -0.05 0.00 -0.50 0.00 0.00 59.36 59.20 2fkx h GLU 25 Cb 0.42 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.26 2fkx h GLU 25 CO -0.17 0.18 -0.23 0.28 -1.40 0.00 0.00 179.01 177.66 2fkx h VAL 26 N 0.27 0.66 -0.02 3.13 2.07 -1.62 -1.48 116.25 119.26 2fkx h VAL 26 Ca 0.22 -1.03 -0.18 0.00 0.82 0.00 0.00 66.70 66.53 2fkx h VAL 26 Cb 0.26 1.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 2fkx h VAL 26 CO -0.26 0.23 -0.80 -0.61 0.02 0.00 0.00 177.57 176.15 2fkx h GLN 27 N 0.00 0.23 0.00 1.57 4.15 -0.68 -0.48 115.11 119.90 2fkx h GLN 27 Ca -0.00 -0.22 -0.09 0.00 0.77 0.00 0.00 58.65 59.11 2fkx h GLN 27 Cb 0.65 0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.38 2fkx h GLN 27 CO 0.03 0.91 -0.41 0.28 -1.93 0.00 0.00 178.83 177.71 2fkx h VAL 28 N 0.14 1.12 -0.31 2.39 2.07 -0.55 0.38 116.25 121.50 2fkx h VAL 28 Ca -0.03 -1.51 -0.07 0.00 0.82 0.00 0.00 66.70 65.90 2fkx h VAL 28 Cb 1.39 1.86 -0.01 0.00 -1.52 0.00 0.00 31.29 33.01 2fkx h VAL 28 CO 0.12 0.41 -0.09 0.00 0.02 0.00 0.00 177.57 178.03 2fkx h ALA 29 N 1.59 0.43 0.00 1.67 0.00 -0.78 0.40 119.26 122.57 2fkx h ALA 29 Ca -0.00 -0.30 -0.12 0.00 0.00 0.00 0.00 54.91 54.48 2fkx h ALA 29 Cb 0.82 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 2fkx h ALA 29 CO 0.05 0.28 -0.58 1.37 0.00 0.00 0.00 179.25 180.37 2fkx h LEU 30 N 0.38 0.00 -1.02 0.00 8.10 -0.67 -1.21 115.31 120.88 2fkx h LEU 30 Ca 0.08 0.00 -0.10 0.00 0.11 0.00 0.00 57.88 57.97 2fkx h LEU 30 Cb 0.59 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.80 2fkx h LEU 30 CO 0.03 0.58 -0.34 0.17 -4.11 0.00 0.00 178.44 174.78 2fkx h LEU 31 N 0.00 0.28 -0.42 0.17 8.10 -0.02 -0.22 115.31 123.19 2fkx h LEU 31 Ca -0.01 -0.10 -0.13 0.00 0.11 0.00 0.00 57.88 57.76 2fkx h LEU 31 Cb 1.11 -0.08 -0.01 0.00 -0.44 0.00 0.00 40.66 41.24 2fkx h LEU 31 CO 0.08 0.61 -0.23 0.74 -4.11 0.00 0.00 178.44 175.52 2fkx h THR 32 N 0.23 1.28 -0.70 0.15 2.02 -0.45 -0.39 112.91 115.05 2fkx h THR 32 Ca 0.03 -1.39 0.02 0.00 0.77 0.00 0.00 66.41 65.84 2fkx h THR 32 Cb 0.72 1.25 -0.04 0.00 -1.74 0.00 0.00 68.15 68.34 2fkx h THR 32 CO 0.05 0.47 0.46 0.25 0.37 0.00 0.00 175.52 177.12 2fkx h LEU 33 N 0.73 0.77 0.33 2.58 5.85 -0.56 0.49 115.31 125.51 2fkx h LEU 33 Ca 0.09 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 2fkx h LEU 33 Cb 0.81 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.65 2fkx h LEU 33 CO 0.07 0.55 -0.16 0.03 -0.34 0.00 0.00 178.44 178.59 2fkx h ARG 34 N 0.90 -0.43 -0.28 1.25 3.08 -0.66 -0.35 114.38 117.89 2fkx h ARG 34 Ca 0.26 0.03 0.06 0.00 0.07 0.00 0.00 59.98 60.41 2fkx h ARG 34 Cb -0.05 0.10 -0.07 0.00 0.08 0.00 0.00 29.97 30.04 2fkx h ARG 34 CO -0.06 -0.16 -0.15 0.82 -1.07 0.00 0.00 179.97 179.34 2fkx h ILE 35 N -0.66 0.54 -0.28 2.04 2.04 -0.41 0.03 117.51 120.81 2fkx h ILE 35 Ca -0.05 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.85 2fkx h ILE 35 Cb 0.47 0.54 -0.04 0.00 -0.74 0.00 0.00 36.82 37.06 2fkx h ILE 35 CO 0.08 0.00 0.06 -1.13 0.00 0.00 0.00 178.15 177.15 2fkx h ASN 36 N -0.12 0.02 -0.28 1.72 -1.24 -0.02 0.37 115.58 116.03 2fkx h ASN 36 Ca 0.15 0.04 -0.18 0.00 0.71 0.00 0.00 56.30 57.02 2fkx h ASN 36 Cb 0.35 0.05 -0.00 0.00 0.73 0.00 0.00 38.32 39.45 2fkx h ASN 36 CO -0.36 0.05 -0.53 -0.09 -1.29 0.00 0.00 177.43 175.21 2fkx h ARG 37 N 0.16 0.87 -0.16 6.67 2.43 -0.73 -2.53 114.38 121.08 2fkx h ARG 37 Ca 0.13 -0.54 -0.12 0.00 -0.81 0.00 0.00 59.98 58.64 2fkx h ARG 37 Cb 0.13 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 2fkx h ARG 37 CO -0.16 1.17 -0.43 -0.07 -1.51 0.00 0.00 179.97 178.97 2fkx h LEU 38 N 0.67 0.42 0.31 3.80 3.38 -0.74 -1.02 115.31 122.13 2fkx h LEU 38 Ca 0.02 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 2fkx h LEU 38 Cb 1.13 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.77 2fkx h LEU 38 CO 0.12 0.80 -0.15 -1.28 0.09 0.00 0.00 178.44 178.02 2fkx h SER 39 N 0.32 -0.36 0.81 -0.43 0.87 -0.17 -1.03 113.55 113.57 2fkx h SER 39 Ca 0.03 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 2fkx h SER 39 Cb 0.89 0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.95 2fkx h SER 39 CO 0.07 -0.17 0.00 -0.62 -0.53 0.00 0.00 176.83 175.58 2fkx n GLU 40 N -5.23 0.04 -0.03 2.24 4.71 -0.96 -1.28 120.64 120.13 2fkx n GLU 40 Ca -0.10 0.16 -0.15 0.00 -0.01 0.00 0.00 57.16 57.07 2fkx n GLU 40 Cb 0.21 -1.56 -0.11 0.00 -1.01 0.00 0.00 31.44 28.97 2fkx n GLU 40 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 2fkx h HIS 41 N 0.00 0.21 -0.00 -0.32 2.76 -0.88 -3.25 115.15 113.67 2fkx h HIS 41 Ca 0.00 -0.11 0.00 0.00 -2.20 0.00 0.00 60.37 58.06 2fkx h HIS 41 Cb 0.41 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 29.34 2fkx h HIS 41 CO 0.00 0.87 -0.01 1.28 -1.30 0.00 0.00 177.93 178.77 2fkx n LEU 42 N -4.57 0.06 -0.09 0.26 4.77 -0.42 -0.85 117.00 116.17 2fkx n LEU 42 Ca -0.09 0.16 0.14 0.00 -0.03 0.00 0.00 56.01 56.19 2fkx n LEU 42 Cb 0.46 -0.18 0.54 0.00 -2.33 0.00 0.00 43.42 41.91 2fkx n LEU 42 CO 0.38 0.01 0.81 0.29 -1.33 0.00 0.00 177.39 177.55 2fkx n LYS 43 N -1.15 0.49 -0.04 3.23 5.02 -0.41 -4.06 118.16 121.25 2fkx n LYS 43 Ca 0.17 -0.18 -0.09 0.00 -2.02 0.00 0.00 58.31 56.20 2fkx n LYS 43 Cb 0.21 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.69 2fkx n LYS 43 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2fkx n VAL 44 N -1.10 0.80 -2.42 -0.18 0.31 -1.02 -5.02 118.33 109.69 2fkx n VAL 44 Ca 0.12 -0.01 -0.36 0.00 -0.01 0.00 0.00 64.34 64.08 2fkx n VAL 44 Cb 0.30 -1.71 -0.03 0.00 -0.91 0.00 0.00 33.84 31.49 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 -2.23 3.06 0.03 3.52 3.76 -0.03 -4.97 115.29 118.43 2fkx s HIS 45 Ca -0.13 1.59 -0.30 0.00 -0.15 0.00 0.00 55.06 56.07 2fkx s HIS 45 Cb 0.04 -3.22 -0.17 0.00 1.11 0.00 0.00 32.58 30.34 2fkx s HIS 45 CO 0.17 -1.03 1.33 0.87 -0.85 0.00 0.00 174.74 175.23 2fkx h LYS 46 N 2.16 -0.92 0.00 1.40 1.57 -1.89 -3.42 116.57 115.48 2fkx h LYS 46 Ca -0.49 0.06 -0.15 0.00 -1.87 0.00 0.00 60.65 58.21 2fkx h LYS 46 Cb 1.23 0.21 -0.14 0.00 0.08 0.00 0.00 32.23 33.61 2fkx h LYS 46 CO 0.61 -0.59 -0.26 0.36 -0.57 0.00 0.00 179.45 179.01 2fkx n LYS 47 N -5.44 0.46 0.12 3.15 2.85 -1.26 -4.99 118.16 113.04 2fkx n LYS 47 Ca -0.13 -1.21 -0.05 0.00 -1.05 0.00 0.00 58.31 55.87 2fkx n LYS 47 Cb 0.39 -0.82 -0.02 0.00 -0.65 0.00 0.00 35.03 33.92 2fkx n LYS 47 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 177.40 177.57 2fkx h ASP 48 N 3.50 -0.27 -3.47 -5.58 3.58 -1.94 -3.37 116.42 108.87 2fkx h ASP 48 Ca -0.19 0.01 -0.77 0.00 0.42 0.00 0.00 57.03 56.50 2fkx h ASP 48 Cb 1.12 0.07 -0.24 0.00 1.72 0.00 0.00 39.33 42.00 2fkx h ASP 48 CO 0.07 -0.14 0.17 -1.00 -2.88 0.00 0.00 179.24 175.46 2fkx s HIS 49 N -3.12 3.56 -0.25 0.28 3.76 -1.26 -4.82 115.29 113.44 2fkx s HIS 49 Ca -0.05 -1.76 0.13 0.00 -0.15 0.00 0.00 55.06 53.24 2fkx s HIS 49 Cb 0.00 -3.90 0.67 0.00 1.11 0.00 0.00 32.58 30.46 2fkx s HIS 49 CO 0.14 -1.09 1.63 -2.39 -0.85 0.00 0.00 174.74 172.18 2fkx n HIS 50 N 4.65 1.71 1.21 1.40 1.44 -1.26 -4.46 115.22 119.90 2fkx n HIS 50 Ca 0.11 -1.02 0.00 0.00 -2.01 0.00 0.00 57.72 54.80 2fkx n HIS 50 Cb 0.46 -0.50 0.00 0.00 0.12 0.00 0.00 29.99 30.07 2fkx n HIS 50 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 2fkx n SER 51 N -0.20 0.72 0.00 4.39 7.64 -1.26 -4.78 113.62 120.12 2fkx n SER 51 Ca 0.30 -1.92 0.00 0.00 1.01 0.00 0.00 58.87 58.26 2fkx n SER 51 Cb 1.14 -0.36 0.00 0.00 -1.01 0.00 0.00 64.21 63.98 2fkx n SER 51 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2fkx n HIS 52 N -0.11 0.00 -2.26 1.43 8.25 -1.26 -4.95 115.22 116.32 2fkx n HIS 52 Ca 0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.05 2fkx n HIS 52 Cb 0.18 -0.81 -0.03 0.00 1.12 0.00 0.00 29.99 30.45 2fkx n HIS 52 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2fkx s ARG 53 N -0.73 3.09 0.00 -0.41 0.52 -1.26 -1.71 118.95 118.44 2fkx s ARG 53 Ca 0.00 0.53 0.00 0.00 -0.52 0.00 0.00 55.73 55.74 2fkx s ARG 53 Cb 0.00 -4.22 0.00 0.00 0.52 0.00 0.00 34.95 31.25 2fkx s ARG 53 CO 0.00 -2.20 0.00 0.41 0.02 0.00 0.00 175.30 173.53 2fkx n GLY 54 N 5.42 0.19 0.00 -3.53 0.00 -1.26 -4.91 105.19 101.11 2fkx n GLY 54 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 0.00 0.00 -0.33 0.99 4.32 -0.70 -4.68 117.00 116.60 2fkx n LEU 55 Ca 0.00 0.00 0.24 0.00 -0.02 0.00 0.00 56.01 56.23 2fkx n LEU 55 Cb 0.00 0.00 0.48 0.00 -1.62 0.00 0.00 43.42 42.28 2fkx n LEU 55 CO 0.00 -0.40 1.08 -0.07 -1.22 0.00 0.00 177.39 176.77 2fkx h LEU 56 N 0.00 0.39 -0.36 2.23 3.38 -1.98 -1.27 115.31 117.71 2fkx h LEU 56 Ca 0.00 0.21 0.08 0.00 0.09 0.00 0.00 57.88 58.26 2fkx h LEU 56 Cb 0.00 0.19 -0.09 0.00 0.09 0.00 0.00 40.66 40.85 2fkx h LEU 56 CO 0.00 -0.22 -0.31 -0.03 0.09 0.00 0.00 178.44 177.98 2fkx h MET 57 N 0.23 -0.25 0.00 1.13 4.05 -1.92 0.33 114.93 118.49 2fkx h MET 57 Ca 0.74 0.02 -0.11 0.00 -0.28 0.00 0.00 59.70 60.07 2fkx h MET 57 Cb 1.74 0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 32.58 2fkx h MET 57 CO -0.66 -0.16 -0.53 1.98 0.23 0.00 0.00 176.91 177.77 2fkx h MET 58 N -0.26 0.00 -0.19 0.39 1.85 -1.41 -1.99 114.93 113.32 2fkx h MET 58 Ca 0.17 0.00 -0.04 0.00 -0.61 0.00 0.00 59.70 59.22 2fkx h MET 58 Cb 0.53 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.55 2fkx h MET 58 CO -0.51 0.53 -0.03 0.28 -0.40 0.00 0.00 176.91 176.78 2fkx h VAL 59 N 0.00 1.28 -0.16 -5.77 2.07 -0.93 -1.72 116.25 111.01 2fkx h VAL 59 Ca -0.01 -0.98 -0.08 0.00 0.82 0.00 0.00 66.70 66.46 2fkx h VAL 59 Cb 1.40 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 32.69 2fkx h VAL 59 CO 0.07 0.30 -0.24 1.23 0.02 0.00 0.00 177.57 178.94 2fkx h GLY 60 N 0.09 0.31 0.95 2.17 0.00 -0.37 -0.58 103.07 105.64 2fkx h GLY 60 Ca 0.05 -0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 2fkx h GLY 60 CO 0.02 0.21 0.14 -1.61 0.00 0.00 0.00 176.54 175.30 2fkx h GLN 61 N 0.26 0.38 -0.54 4.80 4.15 -1.19 -1.63 115.11 121.32 2fkx h GLN 61 Ca 0.04 -0.05 -0.07 0.00 0.77 0.00 0.00 58.65 59.35 2fkx h GLN 61 Cb 0.58 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.17 2fkx h GLN 61 CO 0.04 0.34 0.07 -0.09 -1.93 0.00 0.00 178.83 177.26 2fkx h ARG 62 N 0.32 0.88 -0.64 1.69 2.43 -0.96 -1.24 114.38 116.85 2fkx h ARG 62 Ca 0.09 -0.22 -0.01 0.00 -0.81 0.00 0.00 59.98 59.04 2fkx h ARG 62 Cb 0.08 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.48 2fkx h ARG 62 CO -0.01 0.83 0.35 -0.09 -1.51 0.00 0.00 179.97 179.53 2fkx h ARG 63 N 0.83 0.89 0.00 0.20 9.65 -0.73 -2.30 114.38 122.91 2fkx h ARG 63 Ca 0.17 -0.09 -0.20 0.00 -1.10 0.00 0.00 59.98 58.76 2fkx h ARG 63 Cb 0.40 -0.18 -0.03 0.00 -1.39 0.00 0.00 29.97 28.77 2fkx h ARG 63 CO 0.01 0.66 -0.95 -0.09 2.80 0.00 0.00 179.97 182.40 2fkx h ARG 64 N 0.89 0.00 0.00 0.20 9.65 -0.77 -3.20 114.38 121.15 2fkx h ARG 64 Ca 0.23 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.11 2fkx h ARG 64 Cb 0.03 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.61 2fkx h ARG 64 CO -0.04 0.95 0.00 -0.07 2.80 0.00 0.00 179.97 183.61 2fkx h LEU 65 N 0.00 0.00 -0.42 3.80 3.38 -0.67 -3.11 115.31 118.29 2fkx h LEU 65 Ca -0.01 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.01 2fkx h LEU 65 Cb 1.69 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.40 2fkx h LEU 65 CO 0.12 0.00 0.17 -0.07 0.09 0.00 0.00 178.44 178.75 2fkx h LEU 66 N 0.00 0.21 -0.76 1.67 3.38 -1.50 -0.28 115.31 118.04 2fkx h LEU 66 Ca 0.00 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2fkx h LEU 66 Cb 0.33 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2fkx h LEU 66 CO 0.00 0.15 0.00 0.03 0.09 0.00 0.00 178.44 178.71 2fkx h ARG 67 N 0.35 0.00 0.21 1.13 3.08 -1.78 -1.62 114.38 115.76 2fkx h ARG 67 Ca 0.19 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.23 2fkx h ARG 67 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.21 2fkx h ARG 67 CO -0.18 0.00 -0.10 -0.92 -1.07 0.00 0.00 179.97 177.70 2fkx h TYR 68 N 0.00 -0.26 -0.07 3.04 3.20 -1.21 -2.69 116.97 118.98 2fkx h TYR 68 Ca 0.00 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.80 2fkx h TYR 68 Cb 0.61 0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.95 2fkx h TYR 68 CO 0.00 0.13 -0.24 -0.07 -1.64 0.00 0.00 178.16 176.35 2fkx h LEU 69 N -0.85 0.11 -0.64 2.82 -0.00 -1.18 -2.40 115.31 113.17 2fkx h LEU 69 Ca -0.03 -0.03 0.06 0.00 -0.00 0.00 0.00 57.88 57.88 2fkx h LEU 69 Cb 0.51 -0.03 -0.06 0.00 -0.00 0.00 0.00 40.66 41.09 2fkx h LEU 69 CO 0.05 0.36 0.35 -0.61 -0.00 0.00 0.00 178.44 178.58 2fkx h GLN 70 N 0.10 0.62 0.00 1.13 4.15 -1.31 -1.11 115.11 118.69 2fkx h GLN 70 Ca 0.02 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.40 2fkx h GLN 70 Cb 0.49 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.04 2fkx h GLN 70 CO 0.03 0.41 0.00 -2.13 -1.93 0.00 0.00 178.83 175.22 2fkx n ARG 71 N -4.82 0.01 0.13 1.69 3.00 -0.93 -2.06 116.66 113.69 2fkx n ARG 71 Ca 0.08 0.01 0.11 0.00 -0.00 0.00 0.00 57.85 58.05 2fkx n ARG 71 Cb 0.18 -1.51 0.04 0.00 0.00 0.00 0.00 32.46 31.16 2fkx n ARG 71 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 2fkx h GLU 72 N 0.00 0.00 0.00 -0.14 4.39 -0.90 -3.46 114.58 114.47 2fkx h GLU 72 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2fkx h GLU 72 Cb 0.51 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 2fkx h GLU 72 CO 0.00 0.02 0.00 -3.47 -1.16 0.00 0.00 179.01 174.40 2fkx n ASP 73 N -2.80 0.00 0.29 1.42 2.03 -0.79 -5.05 116.55 111.65 2fkx n ASP 73 Ca 0.01 0.00 0.19 0.00 0.52 0.00 0.00 54.79 55.51 2fkx n ASP 73 Cb 0.56 0.00 0.90 0.00 -0.72 0.00 0.00 41.12 41.86 2fkx n ASP 73 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2fkx h PRO 74 N 0.00 0.00 -0.09 -0.67 0.13 -1.65 -2.17 132.00 127.55 2fkx h PRO 74 Ca 0.00 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.89 2fkx h PRO 74 Cb 0.00 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.14 2fkx h PRO 74 CO 0.00 0.00 -0.88 1.49 -0.23 0.00 0.00 178.00 178.38 2fkx h GLU 75 N 0.00 0.72 -0.03 0.86 4.57 -1.92 -2.90 114.58 115.89 2fkx h GLU 75 Ca 0.00 -0.66 -0.08 0.00 -1.18 0.00 0.00 59.36 57.43 2fkx h GLU 75 Cb 0.27 0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 29.00 2fkx h GLU 75 CO 0.00 1.26 -0.38 0.00 -1.18 0.00 0.00 179.01 178.71 2fkx h ARG 76 N 0.46 0.05 0.60 1.92 2.47 -1.72 -2.16 114.38 116.01 2fkx h ARG 76 Ca -0.08 -0.02 -0.02 0.00 -1.26 0.00 0.00 59.98 58.60 2fkx h ARG 76 Cb 1.52 -0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.82 2fkx h ARG 76 CO 0.18 0.43 -0.48 -0.92 0.56 0.00 0.00 179.97 179.73 2fkx h TYR 77 N 0.05 -1.31 0.00 3.04 3.20 -1.27 0.25 116.97 120.92 2fkx h TYR 77 Ca 0.00 0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.81 2fkx h TYR 77 Cb 0.69 0.49 -0.01 0.00 1.54 0.00 0.00 36.73 39.45 2fkx h TYR 77 CO 0.00 -0.68 -0.32 0.07 -1.64 0.00 0.00 178.16 175.59 2fkx h ARG 78 N -1.06 0.00 0.00 1.82 -0.00 -1.48 -1.92 114.38 111.75 2fkx h ARG 78 Ca -0.08 0.00 -0.02 0.00 -0.00 0.00 0.00 59.98 59.89 2fkx h ARG 78 Cb 0.89 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 30.85 2fkx h ARG 78 CO 0.00 0.32 -0.56 0.00 -0.00 0.00 0.00 179.97 179.73 2fkx h ALA 79 N 1.68 0.73 0.00 0.08 0.00 -1.17 -2.40 119.26 118.19 2fkx h ALA 79 Ca -0.00 -0.08 -0.18 0.00 0.00 0.00 0.00 54.91 54.65 2fkx h ALA 79 Cb 0.62 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 2fkx h ALA 79 CO 0.04 0.09 -0.86 1.25 0.00 0.00 0.00 179.25 179.77 2fkx h LEU 80 N 0.00 0.05 -0.26 0.00 5.85 -0.06 0.19 115.31 121.08 2fkx h LEU 80 Ca -0.01 -0.04 -0.18 0.00 0.84 0.00 0.00 57.88 58.49 2fkx h LEU 80 Cb 1.06 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 42.05 2fkx h LEU 80 CO 0.01 0.88 -0.87 0.16 -0.34 0.00 0.00 178.44 178.28 2fkx h ILE 81 N 0.02 1.62 -0.14 4.05 -0.00 -1.34 -0.30 117.51 121.43 2fkx h ILE 81 Ca -0.02 -2.97 -0.13 0.00 -0.00 0.00 0.00 64.86 61.75 2fkx h ILE 81 Cb 1.51 2.61 0.00 0.00 -0.00 0.00 0.00 36.82 40.94 2fkx h ILE 81 CO 0.12 0.85 -0.41 -0.08 -0.00 0.00 0.00 178.15 178.62 2fkx h GLU 82 N 0.00 0.52 0.06 0.16 4.81 -1.32 -0.12 114.58 118.70 2fkx h GLU 82 Ca -0.01 -0.38 -0.26 0.00 -0.13 0.00 0.00 59.36 58.58 2fkx h GLU 82 Cb 1.54 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.97 2fkx h GLU 82 CO 0.11 1.00 -1.27 0.87 -0.73 0.00 0.00 179.01 179.00 2fkx h LYS 83 N 0.13 0.13 0.01 1.92 1.57 -0.59 -3.26 116.57 116.49 2fkx h LYS 83 Ca -0.01 -0.22 -0.20 0.00 -1.87 0.00 0.00 60.65 58.35 2fkx h LYS 83 Cb 1.03 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.41 2fkx h LYS 83 CO 0.09 1.02 -0.90 -0.07 -0.57 0.00 0.00 179.45 179.02 2fkx h LEU 84 N 0.03 0.26 -1.36 2.94 3.38 -1.17 -3.49 115.31 115.90 2fkx h LEU 84 Ca -0.13 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.63 2fkx h LEU 84 Cb 1.91 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.58 2fkx h LEU 84 CO 0.15 1.03 0.00 0.61 0.09 0.00 0.00 178.44 180.32 2fkx n GLY 85 N 0.92 0.74 0.09 0.83 0.00 -0.76 -5.03 105.19 101.99 2fkx n GLY 85 Ca -0.04 -0.56 -0.03 0.00 0.00 0.00 0.00 46.02 45.40 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 0.75 0.00 -0.61 5.03 -1.35 -3.29 117.51 118.04 2fkx h ILE 86 Ca 0.00 -2.35 -0.10 0.00 -0.12 0.00 0.00 64.86 62.29 2fkx h ILE 86 Cb 0.45 2.26 -0.02 0.00 -3.03 0.00 0.00 36.82 36.49 2fkx h ILE 86 CO 0.00 0.43 -0.73 0.03 -0.68 0.00 0.00 178.15 177.20 2fkx h ARG 87 N 0.00 0.00 0.00 2.37 2.47 -1.96 -3.52 114.38 113.74 2fkx h ARG 87 Ca -0.17 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.55 2fkx h ARG 87 Cb 1.70 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.02 2fkx h ARG 87 CO 0.07 0.33 0.00 0.41 0.56 0.00 0.00 179.97 181.33