#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 4.77 -1.72 4.25 1.01 -1.26 -4.43 121.20 123.82 2fkx s ILE 2 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 60.65 59.81 2fkx s ILE 2 Cb 0.00 -3.39 0.00 0.00 0.01 0.00 0.00 42.46 39.08 2fkx s ILE 2 CO 0.00 -0.02 0.00 0.41 0.00 0.00 0.00 174.94 175.33 2fkx n THR 3 N -0.11 -0.40 -0.04 2.92 -1.04 -1.26 -4.88 114.28 109.47 2fkx n THR 3 Ca -0.08 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 61.90 2fkx n THR 3 Cb 0.53 -2.17 -0.01 0.00 -1.82 0.00 0.00 70.33 66.86 2fkx n THR 3 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2fkx n LYS 4 N -2.59 0.26 0.13 -2.82 3.00 -1.26 -3.77 118.16 111.10 2fkx n LYS 4 Ca -0.19 0.30 0.09 0.00 -0.00 0.00 0.00 58.31 58.51 2fkx n LYS 4 Cb 0.62 -1.17 0.03 0.00 0.00 0.00 0.00 35.03 34.52 2fkx n LYS 4 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 2fkx h GLU 5 N -0.54 0.00 -0.26 1.64 4.22 -1.89 -2.60 114.58 115.15 2fkx h GLU 5 Ca 0.00 0.00 -0.12 0.00 0.08 0.00 0.00 59.36 59.32 2fkx h GLU 5 Cb 0.36 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 2fkx h GLU 5 CO 0.00 0.07 -0.33 0.93 -2.18 0.00 0.00 179.01 177.51 2fkx h GLU 6 N 0.00 0.55 0.20 1.92 5.08 -1.95 0.18 114.58 120.56 2fkx h GLU 6 Ca -0.02 -0.25 -0.31 0.00 -1.00 0.00 0.00 59.36 57.78 2fkx h GLU 6 Cb 1.11 -0.01 0.02 0.00 0.50 0.00 0.00 28.75 30.36 2fkx h GLU 6 CO 0.01 0.81 -1.40 -0.22 -1.00 0.00 0.00 179.01 177.21 2fkx h LYS 7 N 0.47 0.42 -0.44 2.33 3.64 -1.64 -1.95 116.57 119.39 2fkx h LYS 7 Ca 0.05 -0.71 -0.00 0.00 -1.27 0.00 0.00 60.65 58.72 2fkx h LYS 7 Cb 0.80 0.27 -0.02 0.00 -0.41 0.00 0.00 32.23 32.86 2fkx h LYS 7 CO 0.07 1.34 0.26 0.37 -2.27 0.00 0.00 179.45 179.21 2fkx h GLN 8 N 0.11 0.60 -0.70 1.90 4.15 -1.15 -1.59 115.11 118.44 2fkx h GLN 8 Ca -0.21 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.15 2fkx h GLN 8 Cb 2.09 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 29.62 2fkx h GLN 8 CO 0.24 0.46 0.44 -0.22 -1.93 0.00 0.00 178.83 177.82 2fkx h LYS 9 N 0.58 0.93 -0.93 1.69 3.64 -0.66 -1.03 116.57 120.79 2fkx h LYS 9 Ca 0.16 -0.07 0.03 0.00 -1.27 0.00 0.00 60.65 59.50 2fkx h LYS 9 Cb 0.02 -0.20 -0.05 0.00 -0.41 0.00 0.00 32.23 31.58 2fkx h LYS 9 CO -0.03 0.63 0.61 0.28 -2.27 0.00 0.00 179.45 178.67 2fkx h VAL 10 N 0.95 1.18 0.00 2.00 2.07 -0.50 0.12 116.25 122.06 2fkx h VAL 10 Ca 0.25 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.36 2fkx h VAL 10 Cb -0.08 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 29.57 2fkx h VAL 10 CO -0.05 0.22 0.00 -0.38 0.02 0.00 0.00 177.57 177.38 2fkx n ILE 11 N -4.43 0.01 0.10 4.57 -0.00 -0.51 -1.77 119.36 117.33 2fkx n ILE 11 Ca 0.12 0.00 0.11 0.00 -0.00 0.00 0.00 62.75 62.99 2fkx n ILE 11 Cb 0.08 -0.51 -0.05 0.00 -0.00 0.00 0.00 39.64 39.17 2fkx n ILE 11 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2fkx n GLN 12 N -1.38 0.60 -0.09 0.38 1.13 0.19 -1.17 117.38 117.04 2fkx n GLN 12 Ca 0.11 0.02 -0.09 0.00 -1.94 0.00 0.00 57.00 55.09 2fkx n GLN 12 Cb 0.28 -1.72 -0.04 0.00 0.11 0.00 0.00 30.24 28.88 2fkx n GLN 12 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 2fkx n GLU 13 N -2.50 0.50 0.00 -1.09 1.02 0.04 -4.36 120.64 114.25 2fkx n GLU 13 Ca -0.01 0.41 0.00 0.00 -0.02 0.00 0.00 57.16 57.54 2fkx n GLU 13 Cb 0.55 -1.60 0.00 0.00 -0.02 0.00 0.00 31.44 30.37 2fkx n GLU 13 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 2fkx n PHE 14 N -4.52 0.00 -1.53 -0.32 3.72 0.11 -1.49 117.46 113.43 2fkx n PHE 14 Ca -0.15 0.00 -0.49 0.00 -0.05 0.00 0.00 57.45 56.76 2fkx n PHE 14 Cb 0.43 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.94 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 -2.91 -1.49 -2.25 4.37 0.00 -0.97 0.15 120.51 117.41 2fkx n ALA 15 Ca 0.00 0.46 -0.33 0.00 0.00 0.00 0.00 53.44 53.57 2fkx n ALA 15 Cb 0.00 -1.90 -0.04 0.00 0.00 0.00 0.00 19.45 17.51 2fkx n ALA 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2fkx s ARG 16 N -0.69 3.00 -0.30 0.00 6.06 -1.13 0.10 118.95 126.00 2fkx s ARG 16 Ca 0.71 -0.97 -0.28 0.00 -2.50 0.00 0.00 55.73 52.69 2fkx s ARG 16 Cb -0.89 -5.25 0.20 0.00 0.06 0.00 0.00 34.95 29.07 2fkx s ARG 16 CO 0.55 -3.09 1.42 -0.06 -2.50 0.00 0.00 175.30 171.62 2fkx s PHE 17 N 8.24 -0.01 -0.87 5.12 0.08 -1.25 -4.96 117.98 124.33 2fkx s PHE 17 Ca 0.62 0.02 -0.25 0.00 0.12 0.00 0.00 56.93 57.43 2fkx s PHE 17 Cb -0.02 0.50 -0.18 0.00 -0.57 0.00 0.00 43.02 42.75 2fkx s PHE 17 CO 0.02 -0.01 2.29 -2.30 -0.10 0.00 0.00 175.22 175.12 2fkx n PRO 18 N 0.82 0.38 -0.97 0.24 -0.02 -1.26 -1.64 135.00 132.55 2fkx n PRO 18 Ca -0.03 -1.05 0.00 0.00 -2.02 0.00 0.00 63.50 60.40 2fkx n PRO 18 Cb 0.58 -3.59 0.00 0.00 -0.02 0.00 0.00 33.50 30.47 2fkx n PRO 18 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2fkx n GLY 19 N 6.51 0.79 0.27 -1.23 0.00 -0.64 -4.96 105.19 105.92 2fkx n GLY 19 Ca 0.45 -0.63 -0.10 0.00 0.00 0.00 0.00 46.02 45.74 2fkx n GLY 19 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2fkx h ASP 20 N 0.00 -0.55 0.00 1.61 1.82 -1.44 -3.37 116.42 114.49 2fkx h ASP 20 Ca 0.00 0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.66 2fkx h ASP 20 Cb 0.33 0.14 0.00 0.00 0.68 0.00 0.00 39.33 40.48 2fkx h ASP 20 CO 0.00 -0.24 0.00 0.41 -1.61 0.00 0.00 179.24 177.80 2fkx n THR 21 N -4.57 0.25 0.00 2.25 -1.04 -1.25 -4.90 114.28 105.02 2fkx n THR 21 Ca -0.08 -0.29 0.00 0.00 -2.04 0.00 0.00 64.05 61.64 2fkx n THR 21 Cb 0.25 1.04 0.00 0.00 -1.82 0.00 0.00 70.33 69.80 2fkx n THR 21 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2fkx n GLY 22 N -0.13 -0.17 0.00 3.41 0.00 -0.32 0.09 105.19 108.07 2fkx n GLY 22 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 0.00 1.61 2.88 0.12 -1.62 113.62 116.61 2fkx n SER 23 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2fkx n SER 23 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 -0.13 0.00 -0.12 2.46 -1.04 -0.92 -2.82 114.28 111.71 2fkx n THR 24 Ca 0.00 0.00 0.27 0.00 -2.04 0.00 0.00 64.05 62.28 2fkx n THR 24 Cb 0.00 -0.06 0.72 0.00 -1.82 0.00 0.00 70.33 69.16 2fkx n THR 24 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2fkx h GLU 25 N 0.00 0.00 -0.99 -2.82 3.07 -1.63 0.79 114.58 112.99 2fkx h GLU 25 Ca 0.00 0.00 0.11 0.00 -0.50 0.00 0.00 59.36 58.97 2fkx h GLU 25 Cb 0.13 0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 27.96 2fkx h GLU 25 CO 0.00 0.00 0.62 -0.24 -1.40 0.00 0.00 179.01 177.99 2fkx h VAL 26 N 0.00 0.93 0.06 3.13 3.04 -1.47 0.29 116.25 122.24 2fkx h VAL 26 Ca 0.38 -0.34 -0.25 0.00 -1.01 0.00 0.00 66.70 65.48 2fkx h VAL 26 Cb 1.69 -0.15 -0.01 0.00 -2.01 0.00 0.00 31.29 30.80 2fkx h VAL 26 CO -0.00 0.18 -1.15 -0.61 -1.01 0.00 0.00 177.57 174.98 2fkx h GLN 27 N 1.00 0.14 -0.13 4.17 4.15 -1.11 -2.00 115.11 121.33 2fkx h GLN 27 Ca 0.49 -0.23 -0.06 0.00 0.77 0.00 0.00 58.65 59.61 2fkx h GLN 27 Cb 0.45 0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.22 2fkx h GLN 27 CO -0.26 1.10 -0.18 0.28 -1.93 0.00 0.00 178.83 177.84 2fkx h VAL 28 N 0.04 1.20 -0.12 2.39 2.07 -1.21 0.73 116.25 121.34 2fkx h VAL 28 Ca -0.08 -0.89 -0.02 0.00 0.82 0.00 0.00 66.70 66.52 2fkx h VAL 28 Cb 1.88 1.30 -0.00 0.00 -1.52 0.00 0.00 31.29 32.95 2fkx h VAL 28 CO 0.16 0.27 -0.00 0.00 0.02 0.00 0.00 177.57 178.03 2fkx h ALA 29 N 1.62 0.16 0.00 1.67 0.00 -0.18 -0.11 119.26 122.42 2fkx h ALA 29 Ca 0.04 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 2fkx h ALA 29 Cb 0.44 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2fkx h ALA 29 CO 0.03 -0.15 -0.49 1.37 0.00 0.00 0.00 179.25 180.01 2fkx h LEU 30 N -0.06 0.00 -0.31 0.00 8.10 -0.91 0.15 115.31 122.29 2fkx h LEU 30 Ca 0.03 0.00 -0.10 0.00 0.11 0.00 0.00 57.88 57.92 2fkx h LEU 30 Cb 0.36 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.57 2fkx h LEU 30 CO 0.01 0.49 -0.22 0.17 -4.11 0.00 0.00 178.44 174.78 2fkx h LEU 31 N 0.00 0.72 -0.50 0.17 8.10 0.60 -0.67 115.31 123.73 2fkx h LEU 31 Ca -0.00 -0.44 -0.16 0.00 0.11 0.00 0.00 57.88 57.38 2fkx h LEU 31 Cb 1.04 -0.20 -0.01 0.00 -0.44 0.00 0.00 40.66 41.05 2fkx h LEU 31 CO 0.06 1.00 -0.54 0.74 -4.11 0.00 0.00 178.44 175.59 2fkx h THR 32 N 0.44 1.32 -0.06 0.15 2.02 -0.85 -2.06 112.91 113.87 2fkx h THR 32 Ca 0.06 -1.79 0.02 0.00 0.77 0.00 0.00 66.41 65.48 2fkx h THR 32 Cb 0.77 1.75 -0.02 0.00 -1.74 0.00 0.00 68.15 68.91 2fkx h THR 32 CO 0.06 0.56 -0.07 0.25 0.37 0.00 0.00 175.52 176.68 2fkx h LEU 33 N 0.45 -0.23 -1.11 2.58 7.12 -0.50 0.13 115.31 123.76 2fkx h LEU 33 Ca 0.01 0.04 -0.06 0.00 0.13 0.00 0.00 57.88 58.00 2fkx h LEU 33 Cb 1.09 0.11 -0.01 0.00 -0.53 0.00 0.00 40.66 41.32 2fkx h LEU 33 CO 0.10 -0.10 -0.29 0.08 -0.13 0.00 0.00 178.44 178.10 2fkx h ARG 34 N -0.10 0.00 -0.34 1.25 0.11 -1.06 0.33 114.38 114.57 2fkx h ARG 34 Ca 0.05 0.00 -0.16 0.00 0.10 0.00 0.00 59.98 59.98 2fkx h ARG 34 Cb 0.17 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.25 2fkx h ARG 34 CO -0.12 0.29 -0.41 0.82 0.10 0.00 0.00 179.97 180.65 2fkx h ILE 35 N 0.00 1.28 -0.13 0.08 2.04 -0.75 -0.06 117.51 119.97 2fkx h ILE 35 Ca -0.00 -1.58 -0.15 0.00 1.00 0.00 0.00 64.86 64.12 2fkx h ILE 35 Cb 0.78 1.44 -0.01 0.00 -0.74 0.00 0.00 36.82 38.29 2fkx h ILE 35 CO 0.04 0.52 -0.57 -1.13 0.00 0.00 0.00 178.15 177.00 2fkx h ASN 36 N 0.69 0.47 -0.49 1.72 -1.24 -0.25 -0.43 115.58 116.05 2fkx h ASN 36 Ca 0.05 -0.26 0.01 0.00 0.71 0.00 0.00 56.30 56.82 2fkx h ASN 36 Cb 0.98 -0.14 -0.03 0.00 0.73 0.00 0.00 38.32 39.87 2fkx h ASN 36 CO 0.09 0.94 0.31 -0.09 -1.29 0.00 0.00 177.43 177.40 2fkx h ARG 37 N 0.32 0.62 -0.20 6.67 9.65 -0.17 0.37 114.38 131.64 2fkx h ARG 37 Ca 0.00 -0.04 -0.01 0.00 -1.10 0.00 0.00 59.98 58.84 2fkx h ARG 37 Cb 1.10 -0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 29.53 2fkx h ARG 37 CO 0.10 0.41 0.10 1.25 2.80 0.00 0.00 179.97 184.63 2fkx h LEU 38 N 0.64 0.26 -0.98 3.80 5.85 -0.80 -0.51 115.31 123.56 2fkx h LEU 38 Ca 0.19 -0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.73 2fkx h LEU 38 Cb -0.04 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 2fkx h LEU 38 CO -0.06 0.30 0.05 0.28 -0.34 0.00 0.00 178.44 178.67 2fkx h SER 39 N 0.20 0.75 1.25 1.25 0.02 -0.58 0.35 113.55 116.79 2fkx h SER 39 Ca 0.07 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 2fkx h SER 39 Cb 0.11 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.45 2fkx h SER 39 CO -0.01 0.79 0.00 -0.08 -1.14 0.00 0.00 176.83 176.39 2fkx h GLU 40 N 0.75 0.00 0.08 3.45 4.81 -0.03 -1.24 114.58 122.41 2fkx h GLU 40 Ca 0.15 0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 59.09 2fkx h GLU 40 Cb 0.38 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 2fkx h GLU 40 CO 0.01 0.00 -1.50 1.25 -0.73 0.00 0.00 179.01 178.04 2fkx h HIS 41 N 0.00 0.32 0.00 0.92 2.76 -0.03 -3.23 115.15 115.89 2fkx h HIS 41 Ca 0.00 -0.23 0.00 0.00 -2.20 0.00 0.00 60.37 57.94 2fkx h HIS 41 Cb 0.63 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.57 2fkx h HIS 41 CO 0.00 1.28 0.00 -0.07 -1.30 0.00 0.00 177.93 177.84 2fkx h LEU 42 N 0.05 0.00 -1.26 0.26 3.38 0.43 0.24 115.31 118.41 2fkx h LEU 42 Ca -0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.75 2fkx h LEU 42 Cb 1.98 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.73 2fkx h LEU 42 CO 0.14 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.96 2fkx n LYS 43 N -2.90 1.80 -0.06 1.13 4.76 -0.54 -3.28 118.16 119.07 2fkx n LYS 43 Ca 0.01 -1.23 -0.11 0.00 -2.87 0.00 0.00 58.31 54.10 2fkx n LYS 43 Cb 0.29 -1.30 -0.05 0.00 -1.84 0.00 0.00 35.03 32.12 2fkx n LYS 43 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2fkx n VAL 44 N 0.49 0.71 -1.92 -0.18 0.31 -0.39 -4.90 118.33 112.46 2fkx n VAL 44 Ca 0.13 -0.23 -0.38 0.00 -0.01 0.00 0.00 64.34 63.85 2fkx n VAL 44 Cb 0.31 -1.31 -0.03 0.00 -0.91 0.00 0.00 33.84 31.90 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 -2.24 1.53 -0.11 3.52 3.76 -0.07 -4.81 115.29 116.87 2fkx s HIS 45 Ca -0.17 0.95 0.25 0.00 -0.15 0.00 0.00 55.06 55.93 2fkx s HIS 45 Cb 0.06 -3.97 0.72 0.00 1.11 0.00 0.00 32.58 30.49 2fkx s HIS 45 CO 0.26 -2.45 1.74 0.87 -0.85 0.00 0.00 174.74 174.31 2fkx h LYS 46 N 15.82 0.00 -0.00 1.40 1.57 -1.91 -2.04 116.57 131.41 2fkx h LYS 46 Ca -0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 2fkx h LYS 46 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.50 2fkx h LYS 46 CO 1.18 0.13 -0.28 1.17 -0.57 0.00 0.00 179.45 181.08 2fkx n LYS 47 N -3.19 0.08 0.00 3.15 4.81 -1.26 -4.93 118.16 116.82 2fkx n LYS 47 Ca 0.02 -0.04 0.00 0.00 -0.87 0.00 0.00 58.31 57.42 2fkx n LYS 47 Cb 0.47 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 34.03 2fkx n LYS 47 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2fkx n ASP 48 N -1.43 0.00 -0.71 3.14 8.00 -0.77 -4.89 116.55 119.90 2fkx n ASP 48 Ca 0.07 0.00 0.06 0.00 0.71 0.00 0.00 54.79 55.63 2fkx n ASP 48 Cb 0.33 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.42 2fkx n ASP 48 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 2fkx n HIS 49 N 0.00 -2.25 -0.70 1.24 8.25 -1.26 -4.22 115.22 116.29 2fkx n HIS 49 Ca 0.00 0.51 0.07 0.00 -0.26 0.00 0.00 57.72 58.04 2fkx n HIS 49 Cb 0.00 -0.85 0.37 0.00 1.12 0.00 0.00 29.99 30.63 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 -2.00 1.84 0.30 4.41 -0.00 -1.26 -4.53 115.22 113.98 2fkx n HIS 50 Ca 0.00 -0.65 -0.16 0.00 -0.00 0.00 0.00 57.72 56.91 2fkx n HIS 50 Cb 0.19 -0.44 -0.08 0.00 -0.00 0.00 0.00 29.99 29.65 2fkx n HIS 50 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.34 177.11 2fkx h SER 51 N 3.71 -0.61 -0.68 0.41 0.02 -2.00 -3.07 113.55 111.32 2fkx h SER 51 Ca 0.00 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 60.90 2fkx h SER 51 Cb 1.79 0.16 -0.03 0.00 0.14 0.00 0.00 62.40 64.46 2fkx h SER 51 CO 0.42 -0.38 0.29 -0.74 -1.14 0.00 0.00 176.83 175.28 2fkx h HIS 52 N -0.79 1.04 0.00 3.45 6.17 -1.83 -2.13 115.15 121.06 2fkx h HIS 52 Ca -0.07 -0.06 -0.00 0.00 0.71 0.00 0.00 60.37 60.94 2fkx h HIS 52 Cb 0.58 -0.32 -0.00 0.00 2.52 0.00 0.00 27.41 30.19 2fkx h HIS 52 CO -0.02 0.79 -0.02 0.07 0.71 0.00 0.00 177.93 179.46 2fkx h ARG 53 N 1.02 0.00 0.21 5.26 0.11 -1.88 -2.58 114.38 116.51 2fkx h ARG 53 Ca 0.24 0.00 -0.32 0.00 0.10 0.00 0.00 59.98 60.00 2fkx h ARG 53 Cb 0.18 0.00 0.02 0.00 1.11 0.00 0.00 29.97 31.28 2fkx h ARG 53 CO -0.02 0.02 -1.43 0.78 0.10 0.00 0.00 179.97 179.42 2fkx h GLY 54 N 1.44 0.50 -1.96 0.08 0.00 -1.29 -3.28 103.07 98.56 2fkx h GLY 54 Ca -0.00 -1.28 0.00 0.00 0.00 0.00 0.00 47.33 46.05 2fkx h GLY 54 CO 0.00 1.12 0.00 1.04 0.00 0.00 0.00 176.54 178.70 2fkx n LEU 55 N -3.64 2.87 0.27 3.11 7.99 -0.99 -3.70 117.00 122.91 2fkx n LEU 55 Ca -0.15 -1.45 0.13 0.00 -0.01 0.00 0.00 56.01 54.53 2fkx n LEU 55 Cb 1.08 -0.49 0.76 0.00 -0.11 0.00 0.00 43.42 44.66 2fkx n LEU 55 CO 0.58 0.44 1.00 -0.07 -1.51 0.00 0.00 177.39 177.83 2fkx h LEU 56 N 1.96 0.00 -0.78 2.23 3.38 -1.57 -0.76 115.31 119.76 2fkx h LEU 56 Ca 0.00 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.06 2fkx h LEU 56 Cb 1.00 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.68 2fkx h LEU 56 CO 0.17 0.10 0.44 -0.03 0.09 0.00 0.00 178.44 179.20 2fkx h MET 57 N 0.00 0.72 -0.26 1.13 4.05 -1.84 0.51 114.93 119.24 2fkx h MET 57 Ca -0.00 -0.04 -0.10 0.00 -0.28 0.00 0.00 59.70 59.27 2fkx h MET 57 Cb 0.28 -0.16 -0.00 0.00 -0.80 0.00 0.00 31.60 30.92 2fkx h MET 57 CO 0.01 0.48 -0.24 0.52 0.23 0.00 0.00 176.91 177.90 2fkx h MET 58 N 0.74 0.62 -0.81 0.39 2.86 -1.44 -1.42 114.93 115.87 2fkx h MET 58 Ca 0.38 -0.32 0.03 0.00 -2.06 0.00 0.00 59.70 57.72 2fkx h MET 58 Cb 0.35 0.01 -0.05 0.00 0.06 0.00 0.00 31.60 31.97 2fkx h MET 58 CO -0.25 0.92 0.52 0.28 1.06 0.00 0.00 176.91 179.45 2fkx h VAL 59 N 0.34 1.14 -0.10 -2.22 2.07 -1.15 0.15 116.25 116.47 2fkx h VAL 59 Ca 0.04 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 2fkx h VAL 59 Cb 0.80 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.59 2fkx h VAL 59 CO 0.06 0.19 0.01 1.23 0.02 0.00 0.00 177.57 179.08 2fkx h GLY 60 N 1.02 0.19 2.00 2.17 0.00 0.12 -2.55 103.07 106.02 2fkx h GLY 60 Ca 0.32 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.52 2fkx h GLY 60 CO -0.11 0.12 0.00 -1.06 0.00 0.00 0.00 176.54 175.50 2fkx n GLN 61 N -4.84 0.18 0.10 4.80 3.00 -0.54 -2.08 117.38 118.00 2fkx n GLN 61 Ca -0.06 0.30 -0.12 0.00 -0.01 0.00 0.00 57.00 57.11 2fkx n GLN 61 Cb 0.18 -1.77 -0.08 0.00 0.00 0.00 0.00 30.24 28.57 2fkx n GLN 61 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.06 176.97 2fkx h ARG 62 N 0.00 -0.30 -0.34 -1.09 2.43 -0.48 0.13 114.38 114.73 2fkx h ARG 62 Ca 0.00 0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.13 2fkx h ARG 62 Cb 0.48 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.08 2fkx h ARG 62 CO 0.00 0.08 -0.06 0.00 -1.51 0.00 0.00 179.97 178.48 2fkx h ARG 63 N -0.81 0.56 -0.36 0.20 3.08 -1.33 0.97 114.38 116.69 2fkx h ARG 63 Ca -0.03 -0.14 -0.12 0.00 0.07 0.00 0.00 59.98 59.75 2fkx h ARG 63 Cb 0.51 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 2fkx h ARG 63 CO 0.05 0.63 -0.25 -0.09 -1.07 0.00 0.00 179.97 179.24 2fkx h ARG 64 N 0.52 0.80 -0.04 0.04 2.43 -1.41 -1.11 114.38 115.61 2fkx h ARG 64 Ca 0.10 -0.38 -0.13 0.00 -0.81 0.00 0.00 59.98 58.76 2fkx h ARG 64 Cb 0.43 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.96 2fkx h ARG 64 CO 0.02 1.01 -0.56 1.25 -1.51 0.00 0.00 179.97 180.18 2fkx h LEU 65 N 0.59 0.13 -0.77 3.80 5.85 -0.33 -1.74 115.31 122.84 2fkx h LEU 65 Ca 0.07 -0.07 -0.11 0.00 0.84 0.00 0.00 57.88 58.61 2fkx h LEU 65 Cb 0.82 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 2fkx h LEU 65 CO 0.07 0.67 -0.22 -0.07 -0.34 0.00 0.00 178.44 178.55 2fkx h LEU 66 N 0.09 0.70 -0.34 2.25 3.38 -0.69 0.12 115.31 120.81 2fkx h LEU 66 Ca -0.00 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.72 2fkx h LEU 66 Cb 1.02 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.58 2fkx h LEU 66 CO 0.08 0.91 0.00 0.54 0.09 0.00 0.00 178.44 180.06 2fkx n ARG 67 N -4.12 0.18 -0.07 1.13 1.74 -0.43 -1.77 116.66 113.31 2fkx n ARG 67 Ca 0.00 0.30 -0.07 0.00 -0.77 0.00 0.00 57.85 57.31 2fkx n ARG 67 Cb 0.42 -1.78 -0.03 0.00 -1.02 0.00 0.00 32.46 30.05 2fkx n ARG 67 CO 0.00 0.00 0.00 -0.92 -1.52 0.00 0.00 177.63 175.19 2fkx h TYR 68 N 0.00 0.00 -0.15 -1.55 3.20 -0.52 -3.39 116.97 114.56 2fkx h TYR 68 Ca 0.00 0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.88 2fkx h TYR 68 Cb 0.48 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.74 2fkx h TYR 68 CO 0.00 0.28 0.10 -0.07 -1.64 0.00 0.00 178.16 176.83 2fkx h LEU 69 N -1.00 0.12 -2.42 2.82 3.38 -0.83 -1.16 115.31 116.22 2fkx h LEU 69 Ca -0.06 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2fkx h LEU 69 Cb 0.57 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.30 2fkx h LEU 69 CO -0.03 0.08 0.00 0.06 0.09 0.00 0.00 178.44 178.64 2fkx h GLN 70 N 0.13 0.00 0.03 1.13 3.07 -1.55 -2.04 115.11 115.89 2fkx h GLN 70 Ca 0.06 0.00 -0.21 0.00 0.09 0.00 0.00 58.65 58.59 2fkx h GLN 70 Cb 0.07 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.62 2fkx h GLN 70 CO -0.01 0.00 -0.97 0.00 0.09 0.00 0.00 178.83 177.94 2fkx h ARG 71 N 0.00 0.14 -0.12 0.06 3.08 -1.39 -1.90 114.38 114.25 2fkx h ARG 71 Ca 0.00 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 59.86 2fkx h ARG 71 Cb 0.17 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.28 2fkx h ARG 71 CO 0.00 1.00 0.00 0.39 -1.07 0.00 0.00 179.97 180.29 2fkx n GLU 72 N -3.55 1.66 0.00 0.04 1.02 -0.77 -4.61 120.64 114.43 2fkx n GLU 72 Ca -0.03 -0.99 0.00 0.00 -0.02 0.00 0.00 57.16 56.12 2fkx n GLU 72 Cb 0.88 -1.41 0.00 0.00 -0.02 0.00 0.00 31.44 30.88 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 0.21 0.00 0.27 1.62 -0.08 -1.19 -5.05 116.55 112.32 2fkx n ASP 73 Ca 0.17 0.00 0.13 0.00 -1.51 0.00 0.00 54.79 53.58 2fkx n ASP 73 Cb 0.32 0.00 0.74 0.00 2.34 0.00 0.00 41.12 44.52 2fkx n ASP 73 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2fkx h PRO 74 N 0.00 0.00 0.13 -0.67 0.11 -1.60 -2.54 132.00 127.43 2fkx h PRO 74 Ca 0.00 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.83 2fkx h PRO 74 Cb 0.00 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.12 2fkx h PRO 74 CO 0.00 0.11 -1.24 1.49 -0.21 0.00 0.00 178.00 178.15 2fkx h GLU 75 N 0.00 0.31 0.00 1.05 4.81 -1.96 -3.08 114.58 115.72 2fkx h GLU 75 Ca -0.00 -0.51 -0.06 0.00 -0.13 0.00 0.00 59.36 58.65 2fkx h GLU 75 Cb 0.30 0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.86 2fkx h GLU 75 CO 0.01 1.23 -0.30 -0.09 -0.73 0.00 0.00 179.01 179.14 2fkx h ARG 76 N 0.10 0.00 -0.26 1.92 2.43 -1.84 -1.28 114.38 115.45 2fkx h ARG 76 Ca -0.14 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.06 2fkx h ARG 76 Cb 1.95 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 31.47 2fkx h ARG 76 CO 0.21 0.30 0.04 -0.92 -1.51 0.00 0.00 179.97 178.09 2fkx h TYR 77 N 0.00 0.07 -0.49 2.20 3.20 -1.39 0.40 116.97 120.97 2fkx h TYR 77 Ca -0.00 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 2fkx h TYR 77 Cb 0.53 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.78 2fkx h TYR 77 CO 0.00 0.01 0.27 0.00 -1.64 0.00 0.00 178.16 176.80 2fkx h ARG 78 N 0.14 0.68 0.00 1.82 3.08 -1.38 -1.72 114.38 117.00 2fkx h ARG 78 Ca 0.12 -0.08 -0.11 0.00 0.07 0.00 0.00 59.98 59.98 2fkx h ARG 78 Cb 0.13 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 2fkx h ARG 78 CO -0.16 0.53 -0.54 0.00 -1.07 0.00 0.00 179.97 178.73 2fkx h ALA 79 N 1.11 0.67 0.00 0.04 0.00 -0.88 -2.31 119.26 117.89 2fkx h ALA 79 Ca 0.17 -0.49 -0.12 0.00 0.00 0.00 0.00 54.91 54.48 2fkx h ALA 79 Cb 0.05 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2fkx h ALA 79 CO -0.03 0.67 -0.55 1.25 0.00 0.00 0.00 179.25 180.59 2fkx h LEU 80 N 0.00 0.00 -0.23 0.00 5.85 0.03 0.32 115.31 121.28 2fkx h LEU 80 Ca -0.01 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.55 2fkx h LEU 80 Cb 1.38 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.39 2fkx h LEU 80 CO 0.07 0.55 -0.77 0.16 -0.34 0.00 0.00 178.44 178.12 2fkx h ILE 81 N 0.00 1.41 -0.11 4.05 -0.00 -1.20 -1.67 117.51 120.00 2fkx h ILE 81 Ca -0.01 -2.76 -0.09 0.00 -0.00 0.00 0.00 64.86 62.01 2fkx h ILE 81 Cb 1.12 2.54 0.00 0.00 -0.00 0.00 0.00 36.82 40.49 2fkx h ILE 81 CO 0.07 0.75 -0.28 -0.08 -0.00 0.00 0.00 178.15 178.61 2fkx h GLU 82 N 0.00 0.38 0.00 0.16 4.57 -1.06 -0.49 114.58 118.14 2fkx h GLU 82 Ca -0.01 -0.27 -0.24 0.00 -1.18 0.00 0.00 59.36 57.67 2fkx h GLU 82 Cb 1.48 0.04 0.01 0.00 -0.16 0.00 0.00 28.75 30.12 2fkx h GLU 82 CO 0.10 0.88 -0.97 0.87 -1.18 0.00 0.00 179.01 178.71 2fkx h LYS 83 N -0.05 0.47 0.01 1.92 1.57 -0.35 -3.22 116.57 116.92 2fkx h LYS 83 Ca -0.00 -0.51 -0.20 0.00 -1.87 0.00 0.00 60.65 58.07 2fkx h LYS 83 Cb 0.89 0.15 -0.02 0.00 0.08 0.00 0.00 32.23 33.33 2fkx h LYS 83 CO 0.06 1.16 -0.92 -0.07 -0.57 0.00 0.00 179.45 179.10 2fkx h LEU 84 N 0.26 0.08 -1.80 2.94 3.38 -1.43 -3.48 115.31 115.26 2fkx h LEU 84 Ca -0.09 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.80 2fkx h LEU 84 Cb 1.61 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.34 2fkx h LEU 84 CO 0.17 0.96 0.00 0.61 0.09 0.00 0.00 178.44 180.27 2fkx n GLY 85 N 1.06 0.76 0.14 0.83 0.00 -0.87 -4.99 105.19 102.12 2fkx n GLY 85 Ca -0.02 -0.48 0.06 0.00 0.00 0.00 0.00 46.02 45.58 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 0.44 0.05 -0.61 1.08 -1.41 -3.14 117.51 113.92 2fkx h ILE 86 Ca 0.00 -1.67 -0.24 0.00 -0.39 0.00 0.00 64.86 62.56 2fkx h ILE 86 Cb 0.60 2.08 -0.02 0.00 -3.07 0.00 0.00 36.82 36.42 2fkx h ILE 86 CO 0.00 0.25 -1.09 0.03 -0.69 0.00 0.00 178.15 176.64 2fkx h ARG 87 N 0.00 0.11 0.00 2.37 3.08 -1.95 -3.52 114.38 114.47 2fkx h ARG 87 Ca -0.04 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 59.83 2fkx h ARG 87 Cb 1.27 0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.39 2fkx h ARG 87 CO 0.03 1.09 0.00 0.41 -1.07 0.00 0.00 179.97 180.43