#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x9r s ILE 3 N 0.00 4.37 0.01 4.25 -4.36 -1.26 -4.99 121.20 119.22 2x9r s ILE 3 Ca 0.00 -0.30 -0.37 0.00 -0.26 0.00 0.00 60.65 59.71 2x9r s ILE 3 Cb 0.00 -4.64 -0.17 0.00 1.25 0.00 0.00 42.46 38.90 2x9r s ILE 3 CO 0.00 -1.37 1.42 0.35 0.24 0.00 0.00 174.94 175.58 2x9r n THR 4 N 5.93 0.06 -0.34 8.37 -2.24 -1.26 -4.66 114.28 120.14 2x9r n THR 4 Ca -0.03 -0.01 0.26 0.00 -2.27 0.00 0.00 64.05 61.99 2x9r n THR 4 Cb 0.46 -0.89 0.51 0.00 -2.10 0.00 0.00 70.33 68.30 2x9r n THR 4 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2x9r h LYS 5 N 5.08 0.27 -0.35 -0.78 1.57 -1.98 0.53 116.57 120.91 2x9r h LYS 5 Ca -0.48 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.25 2x9r h LYS 5 Cb 1.33 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.57 2x9r h LYS 5 CO 0.81 0.18 0.05 0.93 -0.57 0.00 0.00 179.45 180.85 2x9r h GLU 6 N 0.28 0.58 -0.57 3.15 3.07 -1.99 -0.47 114.58 118.62 2x9r h GLU 6 Ca 0.75 -0.16 0.03 0.00 -0.50 0.00 0.00 59.36 59.48 2x9r h GLU 6 Cb 1.81 -0.06 -0.04 0.00 -0.84 0.00 0.00 28.75 29.61 2x9r h GLU 6 CO -0.58 0.66 0.34 1.49 -1.40 0.00 0.00 179.01 179.52 2x9r h GLU 7 N 0.41 0.65 -0.36 2.33 4.81 -0.42 -0.47 114.58 121.53 2x9r h GLU 7 Ca 0.10 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.32 2x9r h GLU 7 Cb 0.37 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.58 2x9r h GLU 7 CO 0.01 0.43 0.19 -0.22 -0.73 0.00 0.00 179.01 178.69 2x9r h LYS 8 N 0.67 0.38 -0.67 1.92 3.64 -0.41 -2.21 116.57 119.88 2x9r h LYS 8 Ca 0.24 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.57 2x9r h LYS 8 Cb 0.05 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.75 2x9r h LYS 8 CO -0.11 0.25 0.32 1.96 -2.27 0.00 0.00 179.45 179.60 2x9r h GLN 9 N 0.39 0.97 -0.72 1.90 1.08 -0.65 -2.61 115.11 115.46 2x9r h GLN 9 Ca 0.15 -0.14 0.14 0.00 -1.45 0.00 0.00 58.65 57.35 2x9r h GLN 9 Cb 0.04 -0.17 -0.14 0.00 -0.05 0.00 0.00 27.48 27.16 2x9r h GLN 9 CO -0.09 0.77 -0.21 -0.22 -0.95 0.00 0.00 178.83 178.13 2x9r h LYS 10 N 0.93 -0.02 -0.21 1.46 1.63 -0.47 0.07 116.57 119.97 2x9r h LYS 10 Ca 0.23 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 60.01 2x9r h LYS 10 Cb 0.12 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.74 2x9r h LYS 10 CO -0.03 -0.01 0.03 0.28 -3.45 0.00 0.00 179.45 176.27 2x9r h VAL 11 N -0.02 1.23 0.03 2.00 2.07 -1.28 -0.72 116.25 119.55 2x9r h VAL 11 Ca 0.34 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 67.10 2x9r h VAL 11 Cb 0.54 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 2x9r h VAL 11 CO -0.75 0.23 -0.12 0.40 0.02 0.00 0.00 177.57 177.35 2x9r h ILE 12 N 0.14 0.00 -0.13 4.57 2.04 -0.80 0.26 117.51 123.59 2x9r h ILE 12 Ca 0.06 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.96 2x9r h ILE 12 Cb 0.32 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.40 2x9r h ILE 12 CO 0.00 0.00 0.25 1.56 0.00 0.00 0.00 178.15 179.97 2x9r h GLN 13 N -0.17 0.00 -0.06 2.37 7.50 -1.10 0.56 115.11 124.21 2x9r h GLN 13 Ca -0.00 0.00 -0.10 0.00 0.50 0.00 0.00 58.65 59.05 2x9r h GLN 13 Cb 0.17 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.71 2x9r h GLN 13 CO -0.06 0.00 -0.34 1.49 -1.50 0.00 0.00 178.83 178.42 2x9r h GLU 14 N 0.00 0.33 -0.04 1.46 4.57 0.34 -3.35 114.58 117.89 2x9r h GLU 14 Ca 0.06 -0.28 0.00 0.00 -1.18 0.00 0.00 59.36 57.96 2x9r h GLU 14 Cb 0.57 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.22 2x9r h GLU 14 CO -0.00 0.93 0.00 1.19 -1.18 0.00 0.00 179.01 179.95 2x9r n PHE 15 N -4.42 0.02 -2.03 0.92 3.01 0.79 -5.00 117.46 110.75 2x9r n PHE 15 Ca -0.09 -0.01 -0.37 0.00 1.01 0.00 0.00 57.45 57.99 2x9r n PHE 15 Cb 0.51 -0.00 0.02 0.00 -0.01 0.00 0.00 39.48 40.01 2x9r n PHE 15 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2x9r s ALA 16 N -1.46 2.73 -0.00 4.37 0.00 0.18 -4.29 121.76 123.29 2x9r s ALA 16 Ca 0.21 1.06 -0.01 0.00 0.00 0.00 0.00 51.96 53.22 2x9r s ALA 16 Cb 0.15 -3.46 -0.01 0.00 0.00 0.00 0.00 23.12 19.80 2x9r s ALA 16 CO 0.22 -1.06 0.64 0.00 0.00 0.00 0.00 175.76 175.56 2x9r h ARG 17 N 1.35 -0.04 -6.40 0.00 2.47 -1.89 -3.46 114.38 106.40 2x9r h ARG 17 Ca -0.50 0.00 -0.63 0.00 -1.26 0.00 0.00 59.98 57.60 2x9r h ARG 17 Cb 1.28 0.01 -0.13 0.00 -1.65 0.00 0.00 29.97 29.49 2x9r h ARG 17 CO 0.57 -0.03 -0.69 -0.59 0.56 0.00 0.00 179.97 179.80 2x9r s PHE 18 N -2.35 2.80 0.07 3.04 -0.12 -1.26 -5.04 117.98 115.12 2x9r s PHE 18 Ca -0.01 -0.15 -0.33 0.00 -0.05 0.00 0.00 56.93 56.40 2x9r s PHE 18 Cb 0.00 -1.39 -0.12 0.00 -0.63 0.00 0.00 43.02 40.88 2x9r s PHE 18 CO 0.02 0.49 1.75 -2.30 -0.05 0.00 0.00 175.22 175.14 2x9r n PRO 19 N 0.14 2.34 0.00 1.99 -0.02 -1.26 -1.25 135.00 136.95 2x9r n PRO 19 Ca -0.11 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 2x9r n PRO 19 Cb 0.54 -2.68 0.00 0.00 -0.02 0.00 0.00 33.50 31.34 2x9r n PRO 19 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2x9r n GLY 20 N 3.98 1.62 3.55 -1.23 0.00 -1.26 -5.05 105.19 106.81 2x9r n GLY 20 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 2x9r n GLY 20 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2x9r s ASP 21 N -1.82 4.64 -0.06 1.61 3.68 -0.38 -4.84 116.67 119.50 2x9r s ASP 21 Ca 0.00 0.58 -0.02 0.00 2.13 0.00 0.00 52.55 55.24 2x9r s ASP 21 Cb 0.00 -2.52 -0.01 0.00 -1.45 0.00 0.00 42.92 38.94 2x9r s ASP 21 CO 0.00 -2.88 -0.03 0.71 0.13 0.00 0.00 175.17 173.10 2x9r h THR 22 N 7.43 0.00 0.00 1.71 1.35 -1.96 -3.44 112.91 118.00 2x9r h THR 22 Ca -0.18 -0.55 0.00 0.00 -0.55 0.00 0.00 66.41 65.13 2x9r h THR 22 Cb 1.18 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.60 2x9r h THR 22 CO 1.16 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 177.04 2x9r n GLY 23 N 1.82 -0.53 0.88 5.82 0.00 -1.26 -4.82 105.19 107.10 2x9r n GLY 23 Ca -0.01 -0.03 0.10 0.00 0.00 0.00 0.00 46.02 46.08 2x9r n GLY 23 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2x9r n SER 24 N 0.00 -4.79 0.00 1.61 2.88 -1.26 -4.04 113.62 108.02 2x9r n SER 24 Ca 0.00 0.91 0.00 0.00 -1.33 0.00 0.00 58.87 58.45 2x9r n SER 24 Cb 0.00 -3.02 0.00 0.00 -0.75 0.00 0.00 64.21 60.44 2x9r n SER 24 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 2x9r n THR 25 N -3.38 0.00 -0.21 2.46 -1.04 -1.26 -2.07 114.28 108.78 2x9r n THR 25 Ca -0.06 0.48 0.17 0.00 -2.04 0.00 0.00 64.05 62.61 2x9r n THR 25 Cb 0.41 -1.17 0.33 0.00 -1.82 0.00 0.00 70.33 68.08 2x9r n THR 25 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2x9r n GLU 26 N -1.42 -0.04 -0.02 -2.82 1.02 -1.26 0.20 120.64 116.29 2x9r n GLU 26 Ca 0.00 0.91 -0.16 0.00 -0.02 0.00 0.00 57.16 57.89 2x9r n GLU 26 Cb 0.00 -1.57 -0.11 0.00 -0.02 0.00 0.00 31.44 29.74 2x9r n GLU 26 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2x9r h VAL 27 N 0.00 1.50 -0.73 2.62 2.07 -1.75 -3.09 116.25 116.87 2x9r h VAL 27 Ca 0.50 -1.93 0.13 0.00 0.82 0.00 0.00 66.70 66.22 2x9r h VAL 27 Cb 1.26 2.65 -0.09 0.00 -1.52 0.00 0.00 31.29 33.59 2x9r h VAL 27 CO -0.52 0.54 0.29 1.56 0.02 0.00 0.00 177.57 179.46 2x9r h GLN 28 N -0.35 0.43 0.28 1.57 4.20 0.28 -1.42 115.11 120.09 2x9r h GLN 28 Ca -0.04 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 2x9r h GLN 28 Cb 1.06 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.74 2x9r h GLN 28 CO 0.07 0.29 -0.22 0.28 -0.67 0.00 0.00 178.83 178.58 2x9r h VAL 29 N 0.45 0.00 -1.04 -0.54 2.07 -1.24 -2.77 116.25 113.17 2x9r h VAL 29 Ca 0.39 0.00 0.40 0.00 0.82 0.00 0.00 66.70 68.32 2x9r h VAL 29 Cb 0.57 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.17 2x9r h VAL 29 CO -0.38 0.00 0.59 0.00 0.02 0.00 0.00 177.57 177.80 2x9r h ALA 30 N -1.48 2.20 -0.65 1.67 0.00 -1.35 0.78 119.26 120.43 2x9r h ALA 30 Ca -0.04 0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 2x9r h ALA 30 Cb 0.40 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 2x9r h ALA 30 CO 0.01 -0.94 0.36 -0.07 0.00 0.00 0.00 179.25 178.61 2x9r h LEU 31 N 0.07 0.82 0.06 0.00 -0.00 -1.02 -1.63 115.31 113.61 2x9r h LEU 31 Ca 0.83 -0.09 -0.00 0.00 -0.00 0.00 0.00 57.88 58.61 2x9r h LEU 31 Cb 2.18 -0.21 0.00 0.00 -0.00 0.00 0.00 40.66 42.64 2x9r h LEU 31 CO -0.70 0.68 -0.03 -0.07 -0.00 0.00 0.00 178.44 178.32 2x9r h LEU 32 N 0.89 -0.06 -0.92 1.67 3.38 0.77 -2.07 115.31 118.96 2x9r h LEU 32 Ca 0.23 -0.40 0.25 0.00 0.09 0.00 0.00 57.88 58.05 2x9r h LEU 32 Cb 0.04 0.02 -0.13 0.00 0.09 0.00 0.00 40.66 40.67 2x9r h LEU 32 CO -0.04 0.38 0.41 0.74 0.09 0.00 0.00 178.44 180.02 2x9r h THR 33 N -0.52 0.40 0.22 0.22 2.02 -0.97 0.72 112.91 115.00 2x9r h THR 33 Ca -0.01 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 67.04 2x9r h THR 33 Cb 0.46 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.89 2x9r h THR 33 CO 0.01 0.06 -0.11 0.25 0.37 0.00 0.00 175.52 176.11 2x9r h LEU 34 N 0.35 -0.26 -0.95 2.58 5.85 -1.23 -2.22 115.31 119.43 2x9r h LEU 34 Ca 0.60 -0.26 0.13 0.00 0.84 0.00 0.00 57.88 59.20 2x9r h LEU 34 Cb 1.22 0.07 -0.09 0.00 0.37 0.00 0.00 40.66 42.23 2x9r h LEU 34 CO -0.58 0.18 0.57 0.03 -0.34 0.00 0.00 178.44 178.30 2x9r h ARG 35 N -0.75 0.84 0.31 1.25 3.08 -0.33 -2.45 114.38 116.33 2x9r h ARG 35 Ca -0.03 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 2x9r h ARG 35 Cb 0.50 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.36 2x9r h ARG 35 CO 0.05 0.56 -0.15 0.82 -1.07 0.00 0.00 179.97 180.17 2x9r h ILE 36 N 0.87 0.00 0.00 2.04 2.04 0.37 -1.71 117.51 121.12 2x9r h ILE 36 Ca 0.49 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.35 2x9r h ILE 36 Cb 0.57 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.65 2x9r h ILE 36 CO -0.30 0.00 0.37 0.78 0.00 0.00 0.00 178.15 179.00 2x9r h ASN 37 N -0.42 0.00 0.13 1.72 -0.26 -1.22 1.55 115.58 117.07 2x9r h ASN 37 Ca -0.04 0.00 -0.25 0.00 -0.56 0.00 0.00 56.30 55.45 2x9r h ASN 37 Cb 0.33 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 37.59 2x9r h ASN 37 CO 0.07 0.00 -1.24 0.03 -1.06 0.00 0.00 177.43 175.23 2x9r h ARG 38 N 0.00 0.27 -0.03 0.81 2.47 -1.13 -3.02 114.38 113.76 2x9r h ARG 38 Ca 0.00 -0.46 -0.24 0.00 -1.26 0.00 0.00 59.98 58.02 2x9r h ARG 38 Cb 0.74 0.17 0.01 0.00 -1.65 0.00 0.00 29.97 29.24 2x9r h ARG 38 CO 0.00 1.22 -0.95 1.25 0.56 0.00 0.00 179.97 182.06 2x9r h LEU 39 N -0.31 0.74 -0.87 3.04 7.12 0.99 -1.83 115.31 124.20 2x9r h LEU 39 Ca -0.25 -0.57 0.13 0.00 0.13 0.00 0.00 57.88 57.32 2x9r h LEU 39 Cb 1.74 -0.22 -0.09 0.00 -0.53 0.00 0.00 40.66 41.56 2x9r h LEU 39 CO 0.09 1.36 0.48 -1.28 -0.13 0.00 0.00 178.44 178.97 2x9r h SER 40 N 0.34 0.64 -0.06 1.25 0.87 0.18 0.20 113.55 116.97 2x9r h SER 40 Ca -0.09 0.07 -0.03 0.00 -1.23 0.00 0.00 61.79 60.51 2x9r h SER 40 Cb 1.58 -0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 63.50 2x9r h SER 40 CO 0.18 0.31 -0.07 -0.08 -0.53 0.00 0.00 176.83 176.64 2x9r h GLU 41 N 0.73 0.15 -0.21 2.24 4.57 -1.40 -2.38 114.58 118.27 2x9r h GLU 41 Ca 0.45 -0.09 0.06 0.00 -1.18 0.00 0.00 59.36 58.60 2x9r h GLU 41 Cb 0.55 0.01 -0.07 0.00 -0.16 0.00 0.00 28.75 29.07 2x9r h GLU 41 CO -0.31 0.63 -0.34 1.25 -1.18 0.00 0.00 179.01 179.06 2x9r h HIS 42 N -0.32 -0.94 -0.92 0.92 -0.00 -0.37 -0.42 115.15 113.09 2x9r h HIS 42 Ca 0.01 0.05 0.08 0.00 -0.00 0.00 0.00 60.37 60.50 2x9r h HIS 42 Cb 0.61 0.45 -0.06 0.00 -0.00 0.00 0.00 27.41 28.40 2x9r h HIS 42 CO 0.10 -0.41 0.60 -0.07 -0.00 0.00 0.00 177.93 178.15 2x9r h LEU 43 N -0.37 0.89 -2.60 0.26 3.38 -0.72 0.22 115.31 116.38 2x9r h LEU 43 Ca 0.12 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2x9r h LEU 43 Cb 0.55 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.13 2x9r h LEU 43 CO -0.42 0.55 0.10 0.50 0.09 0.00 0.00 178.44 179.26 2x9r h LYS 44 N 1.00 0.00 0.00 1.13 3.64 -0.53 -2.02 116.57 119.79 2x9r h LYS 44 Ca 0.41 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.58 2x9r h LYS 44 Cb 0.29 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.07 2x9r h LYS 44 CO -0.17 0.00 -1.79 0.28 -2.27 0.00 0.00 179.45 175.50 2x9r n VAL 45 N -2.97 0.79 -3.49 2.00 0.31 0.13 -4.70 118.33 110.40 2x9r n VAL 45 Ca -0.03 -0.45 -0.32 0.00 -0.01 0.00 0.00 64.34 63.54 2x9r n VAL 45 Cb 0.16 -0.76 -0.07 0.00 -0.91 0.00 0.00 33.84 32.26 2x9r n VAL 45 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 2x9r n HIS 46 N -2.52 3.50 -0.35 3.52 8.25 0.55 -4.92 115.22 123.25 2x9r n HIS 46 Ca -0.20 -3.94 -0.03 0.00 -0.26 0.00 0.00 57.72 53.29 2x9r n HIS 46 Cb 0.85 -0.80 0.10 0.00 1.12 0.00 0.00 29.99 31.25 2x9r n HIS 46 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 2x9r h LYS 47 N 4.98 1.22 0.00 -0.41 1.57 -1.66 -2.49 116.57 119.78 2x9r h LYS 47 Ca 0.18 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 2x9r h LYS 47 Cb 0.70 -0.28 0.00 0.00 0.08 0.00 0.00 32.23 32.73 2x9r h LYS 47 CO 0.90 0.81 0.00 1.63 -0.57 0.00 0.00 179.45 182.22 2x9r n LYS 48 N -4.44 0.05 -2.27 3.15 4.76 -1.26 -4.42 118.16 113.73 2x9r n LYS 48 Ca 0.11 0.35 -0.33 0.00 -2.87 0.00 0.00 58.31 55.56 2x9r n LYS 48 Cb 0.01 -1.60 -0.04 0.00 -1.84 0.00 0.00 35.03 31.56 2x9r n LYS 48 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2x9r s ASP 49 N -3.31 5.73 0.14 4.39 -1.08 -0.94 -4.75 116.67 116.85 2x9r s ASP 49 Ca 0.05 -1.18 0.08 0.00 -0.52 0.00 0.00 52.55 50.97 2x9r s ASP 49 Cb 0.08 -2.57 -0.18 0.00 -1.46 0.00 0.00 42.92 38.79 2x9r s ASP 49 CO 0.24 -2.24 1.30 0.45 0.52 0.00 0.00 175.17 175.44 2x9r h HIS 50 N 10.32 0.00 -0.23 -5.34 3.86 -1.88 -3.20 115.15 118.69 2x9r h HIS 50 Ca 0.17 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.36 2x9r h HIS 50 Cb 0.99 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.45 2x9r h HIS 50 CO 1.25 0.94 0.04 0.45 0.86 0.00 0.00 177.93 181.48 2x9r h HIS 51 N 0.00 0.39 -0.22 2.45 3.86 -1.97 -2.31 115.15 117.36 2x9r h HIS 51 Ca -0.01 -0.05 -0.02 0.00 -1.16 0.00 0.00 60.37 59.13 2x9r h HIS 51 Cb 1.73 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 30.08 2x9r h HIS 51 CO 0.00 0.49 0.04 0.77 0.86 0.00 0.00 177.93 180.09 2x9r h SER 52 N 0.18 0.28 -0.80 2.45 0.02 -1.97 -1.80 113.55 111.91 2x9r h SER 52 Ca 0.07 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 2x9r h SER 52 Cb 0.30 -0.07 -0.04 0.00 0.14 0.00 0.00 62.40 62.73 2x9r h SER 52 CO 0.00 0.30 0.50 -0.74 -1.14 0.00 0.00 176.83 175.76 2x9r h HIS 53 N 0.31 1.03 -0.63 3.45 6.17 -1.42 -1.85 115.15 122.20 2x9r h HIS 53 Ca 0.08 0.01 0.03 0.00 0.71 0.00 0.00 60.37 61.20 2x9r h HIS 53 Cb 0.15 -0.34 -0.04 0.00 2.52 0.00 0.00 27.41 29.69 2x9r h HIS 53 CO 0.00 0.67 0.38 -0.09 0.71 0.00 0.00 177.93 179.61 2x9r h ARG 54 N 1.09 0.72 -0.86 5.26 2.43 -0.81 0.11 114.38 122.33 2x9r h ARG 54 Ca 0.29 -0.04 0.12 0.00 -0.81 0.00 0.00 59.98 59.53 2x9r h ARG 54 Cb -0.08 -0.16 -0.08 0.00 -0.42 0.00 0.00 29.97 29.23 2x9r h ARG 54 CO -0.06 0.47 0.48 0.78 -1.51 0.00 0.00 179.97 180.14 2x9r h GLY 55 N 0.74 1.37 0.99 2.80 0.00 -1.16 -0.12 103.07 107.69 2x9r h GLY 55 Ca 0.26 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.28 2x9r h GLY 55 CO -0.12 0.07 0.01 -2.00 0.00 0.00 0.00 176.54 174.51 2x9r h LEU 56 N 0.76 0.02 -0.96 3.11 5.85 -0.19 -0.65 115.31 123.25 2x9r h LEU 56 Ca 0.43 -0.01 0.21 0.00 0.84 0.00 0.00 57.88 59.35 2x9r h LEU 56 Cb 0.49 -0.01 -0.11 0.00 0.37 0.00 0.00 40.66 41.40 2x9r h LEU 56 CO -0.29 0.02 0.54 -0.07 -0.34 0.00 0.00 178.44 178.31 2x9r h LEU 57 N 0.02 0.63 0.05 2.25 3.38 0.65 -0.50 115.31 121.79 2x9r h LEU 57 Ca 0.01 0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 2x9r h LEU 57 Cb 0.00 0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2x9r h LEU 57 CO -0.00 0.16 -0.02 0.24 0.09 0.00 0.00 178.44 178.91 2x9r h MET 58 N 0.62 -0.06 -0.76 1.13 2.86 -0.68 -2.59 114.93 115.46 2x9r h MET 58 Ca 0.58 0.00 0.12 0.00 -2.06 0.00 0.00 59.70 58.34 2x9r h MET 58 Cb 1.00 0.01 -0.05 0.00 0.06 0.00 0.00 31.60 32.62 2x9r h MET 58 CO -0.44 0.37 0.50 0.52 1.06 0.00 0.00 176.91 178.92 2x9r h MET 59 N -0.51 0.55 -0.04 1.72 2.86 -0.08 -0.39 114.93 119.04 2x9r h MET 59 Ca -0.01 -0.03 -0.13 0.00 -2.06 0.00 0.00 59.70 57.47 2x9r h MET 59 Cb 0.46 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.98 2x9r h MET 59 CO 0.01 0.37 -0.58 0.28 1.06 0.00 0.00 176.91 178.05 2x9r h VAL 60 N 0.57 1.39 0.36 -2.22 2.07 -1.11 -2.74 116.25 114.58 2x9r h VAL 60 Ca 0.36 -1.95 -0.02 0.00 0.82 0.00 0.00 66.70 65.92 2x9r h VAL 60 Cb 0.62 2.01 0.00 0.00 -1.52 0.00 0.00 31.29 32.40 2x9r h VAL 60 CO -0.13 0.57 -0.17 1.23 0.02 0.00 0.00 177.57 179.08 2x9r h GLY 61 N 1.57 -0.51 0.11 2.17 0.00 -0.67 -1.95 103.07 103.79 2x9r h GLY 61 Ca -0.00 0.19 0.16 0.00 0.00 0.00 0.00 47.33 47.67 2x9r h GLY 61 CO 0.08 -0.18 0.35 -1.61 0.00 0.00 0.00 176.54 175.18 2x9r h GLN 62 N -0.85 0.47 -0.55 4.80 5.75 -1.46 0.66 115.11 123.92 2x9r h GLN 62 Ca -0.05 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.41 2x9r h GLN 62 Cb 0.53 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 28.95 2x9r h GLN 62 CO 0.08 0.31 0.28 -0.09 -2.65 0.00 0.00 178.83 176.77 2x9r h ARG 63 N 0.48 0.77 0.42 1.69 2.43 -1.46 -0.02 114.38 118.70 2x9r h ARG 63 Ca 0.45 -0.08 -0.02 0.00 -0.81 0.00 0.00 59.98 59.52 2x9r h ARG 63 Cb 0.70 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 2x9r h ARG 63 CO -0.42 0.58 -0.20 -0.09 -1.51 0.00 0.00 179.97 178.33 2x9r h ARG 64 N 0.77 -0.55 -1.00 0.20 2.43 0.84 0.98 114.38 118.06 2x9r h ARG 64 Ca 0.20 0.04 0.39 0.00 -0.81 0.00 0.00 59.98 59.79 2x9r h ARG 64 Cb 0.05 0.12 -0.17 0.00 -0.42 0.00 0.00 29.97 29.55 2x9r h ARG 64 CO -0.03 -0.37 0.53 0.00 -1.51 0.00 0.00 179.97 178.59 2x9r h ARG 65 N -0.77 0.09 0.06 0.20 -0.00 0.28 0.25 114.38 114.50 2x9r h ARG 65 Ca -0.06 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.98 59.41 2x9r h ARG 65 Cb 0.44 -0.02 0.00 0.00 0.00 0.00 0.00 29.97 30.39 2x9r h ARG 65 CO 0.10 0.06 -0.03 -0.07 0.00 0.00 0.00 179.97 180.03 2x9r h LEU 66 N 0.09 -0.07 -2.07 3.04 4.07 -0.97 -2.48 115.31 116.93 2x9r h LEU 66 Ca 0.81 -0.46 0.06 0.00 0.08 0.00 0.00 57.88 58.36 2x9r h LEU 66 Cb 2.04 0.02 -0.01 0.00 1.08 0.00 0.00 40.66 43.79 2x9r h LEU 66 CO -0.73 0.62 0.34 -0.07 -1.08 0.00 0.00 178.44 177.53 2x9r h LEU 67 N -0.96 0.00 0.01 1.67 3.38 0.57 0.28 115.31 120.26 2x9r h LEU 67 Ca -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 2x9r h LEU 67 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 2x9r h LEU 67 CO 0.01 0.00 -0.00 -0.09 0.09 0.00 0.00 178.44 178.45 2x9r h ARG 68 N 0.00 -0.01 0.30 1.13 2.43 -0.58 -2.95 114.38 114.71 2x9r h ARG 68 Ca 0.09 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 2x9r h ARG 68 Cb 0.77 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.30 2x9r h ARG 68 CO -0.00 0.77 -0.34 -0.92 -1.51 0.00 0.00 179.97 177.97 2x9r h TYR 69 N -0.82 -0.93 -1.03 2.20 3.20 -0.25 -2.42 116.97 116.91 2x9r h TYR 69 Ca -0.00 0.01 0.27 0.00 3.14 0.00 0.00 58.73 62.14 2x9r h TYR 69 Cb 0.79 0.37 -0.08 0.00 1.54 0.00 0.00 36.73 39.34 2x9r h TYR 69 CO 0.20 -0.48 0.68 1.25 -1.64 0.00 0.00 178.16 178.17 2x9r h LEU 70 N -0.69 0.37 -0.23 2.82 5.85 -0.71 0.28 115.31 123.00 2x9r h LEU 70 Ca -0.01 0.07 -0.21 0.00 0.84 0.00 0.00 57.88 58.56 2x9r h LEU 70 Cb 0.64 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.68 2x9r h LEU 70 CO -0.09 0.08 -0.71 -0.61 -0.34 0.00 0.00 178.44 176.78 2x9r h GLN 71 N 0.34 0.78 0.19 1.25 4.15 -1.26 -1.21 115.11 119.35 2x9r h GLN 71 Ca 0.57 -0.59 -0.01 0.00 0.77 0.00 0.00 58.65 59.39 2x9r h GLN 71 Cb 1.55 0.11 0.00 0.00 0.21 0.00 0.00 27.48 29.36 2x9r h GLN 71 CO -0.24 1.21 -0.09 -0.09 -1.93 0.00 0.00 178.83 177.69 2x9r h ARG 72 N 0.55 -0.24 -0.03 1.69 2.43 -0.58 -2.75 114.38 115.44 2x9r h ARG 72 Ca -0.03 0.02 -0.17 0.00 -0.81 0.00 0.00 59.98 58.99 2x9r h ARG 72 Cb 1.33 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.92 2x9r h ARG 72 CO 0.15 -0.03 -0.72 0.93 -1.51 0.00 0.00 179.97 178.78 2x9r h GLU 73 N -0.41 0.20 -1.27 0.20 4.39 -1.34 -3.42 114.58 112.93 2x9r h GLU 73 Ca -0.03 -0.17 -0.18 0.00 0.34 0.00 0.00 59.36 59.32 2x9r h GLU 73 Cb 0.32 0.04 -0.22 0.00 -0.10 0.00 0.00 28.75 28.79 2x9r h GLU 73 CO 0.04 0.84 -0.54 0.34 -1.16 0.00 0.00 179.01 178.53 2x9r s ASP 74 N -6.90 -0.79 0.34 1.42 3.68 -0.46 -5.02 116.67 108.94 2x9r s ASP 74 Ca -0.03 -1.34 0.07 0.00 2.13 0.00 0.00 52.55 53.38 2x9r s ASP 74 Cb 0.11 1.52 0.76 0.00 -1.45 0.00 0.00 42.92 43.86 2x9r s ASP 74 CO 0.81 -0.16 1.86 1.55 0.13 0.00 0.00 175.17 179.37 2x9r h PRO 75 N 6.40 0.74 -0.80 4.34 0.13 -1.62 -2.68 132.00 138.52 2x9r h PRO 75 Ca 0.07 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 65.13 2x9r h PRO 75 Cb 1.12 -0.17 -0.04 0.00 0.13 0.00 0.00 31.00 32.05 2x9r h PRO 75 CO 0.11 0.49 0.42 1.49 -0.23 0.00 0.00 178.00 180.29 2x9r h GLU 76 N 0.76 1.11 -0.97 0.86 4.57 -1.90 -2.49 114.58 116.53 2x9r h GLU 76 Ca 0.46 -0.13 -0.42 0.00 -1.18 0.00 0.00 59.36 58.08 2x9r h GLU 76 Cb 0.66 -0.22 -0.25 0.00 -0.16 0.00 0.00 28.75 28.78 2x9r h GLU 76 CO -0.22 0.82 0.54 2.89 -1.18 0.00 0.00 179.01 181.86 2x9r n ARG 77 N -4.34 2.31 -0.06 1.92 1.85 -1.01 -3.34 116.66 113.97 2x9r n ARG 77 Ca 0.08 -2.68 -0.14 0.00 -1.00 0.00 0.00 57.85 54.12 2x9r n ARG 77 Cb 0.11 -2.06 -0.05 0.00 -1.05 0.00 0.00 32.46 29.41 2x9r n ARG 77 CO 0.00 0.00 0.00 0.98 -0.01 0.00 0.00 177.63 178.60 2x9r n TYR 78 N -0.83 0.00 -0.35 2.89 9.36 -0.96 -4.10 117.16 123.16 2x9r n TYR 78 Ca 0.51 0.00 0.05 0.00 3.32 0.00 0.00 57.90 61.78 2x9r n TYR 78 Cb 1.51 -0.46 0.22 0.00 -0.63 0.00 0.00 39.34 39.98 2x9r n TYR 78 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2x9r h ARG 79 N -0.45 1.03 0.76 2.98 3.08 -1.55 0.12 114.38 120.35 2x9r h ARG 79 Ca -0.33 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 59.62 2x9r h ARG 79 Cb 1.29 -0.23 0.01 0.00 0.08 0.00 0.00 29.97 31.12 2x9r h ARG 79 CO -0.19 0.68 -0.36 0.00 -1.07 0.00 0.00 179.97 179.02 2x9r h ALA 80 N 1.51 -1.02 -0.20 0.04 0.00 -1.78 -2.89 119.26 114.91 2x9r h ALA 80 Ca 0.46 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 55.17 2x9r h ALA 80 Cb 0.33 0.39 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 2x9r h ALA 80 CO -0.21 -0.98 -0.04 1.25 0.00 0.00 0.00 179.25 179.28 2x9r h LEU 81 N -1.21 -0.16 0.22 0.00 5.85 -1.63 -1.61 115.31 116.79 2x9r h LEU 81 Ca -0.10 0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.68 2x9r h LEU 81 Cb 0.80 0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.90 2x9r h LEU 81 CO 0.17 -0.05 -0.45 -0.29 -0.34 0.00 0.00 178.44 177.48 2x9r h ILE 82 N 0.01 0.11 0.48 4.05 -0.00 -0.85 -2.49 117.51 118.81 2x9r h ILE 82 Ca 0.09 0.00 -0.02 0.00 -0.00 0.00 0.00 64.86 64.93 2x9r h ILE 82 Cb 0.14 0.11 0.00 0.00 -0.00 0.00 0.00 36.82 37.07 2x9r h ILE 82 CO -0.19 0.00 -0.23 -0.08 -0.00 0.00 0.00 178.15 177.65 2x9r h GLU 83 N -0.76 -0.62 0.00 2.19 4.81 -1.48 0.74 114.58 119.46 2x9r h GLU 83 Ca -0.01 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 2x9r h GLU 83 Cb 0.74 0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.26 2x9r h GLU 83 CO -0.20 -0.32 0.00 1.63 -0.73 0.00 0.00 179.01 179.40 2x9r n LYS 84 N -5.27 0.00 0.00 1.92 5.02 -0.61 -0.55 118.16 118.67 2x9r n LYS 84 Ca -0.11 0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.20 2x9r n LYS 84 Cb 0.31 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.82 2x9r n LYS 84 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 2x9r n LEU 85 N -0.96 0.00 -1.93 -0.35 0.00 -0.94 -5.04 117.00 107.77 2x9r n LEU 85 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 56.01 55.99 2x9r n LEU 85 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 2x9r n LEU 85 CO 0.00 0.00 0.03 0.61 0.00 0.00 0.00 177.39 178.03 2x9r n GLY 86 N 2.10 -0.85 0.00 -3.96 0.00 0.25 -5.06 105.19 97.67 2x9r n GLY 86 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.30 2x9r n GLY 86 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2x9r n ILE 87 N -0.54 0.00 -3.57 -0.61 -5.35 -1.07 -5.03 119.36 103.18 2x9r n ILE 87 Ca 0.03 0.00 -0.20 0.00 -0.27 0.00 0.00 62.75 62.31 2x9r n ILE 87 Cb 0.19 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.10 2x9r n ILE 87 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2x9r n ARG 88 N 0.00 -1.57 0.00 6.28 5.12 -1.26 -4.86 116.66 120.37 2x9r n ARG 88 Ca 0.00 1.03 0.00 0.00 -1.93 0.00 0.00 57.85 56.95 2x9r n ARG 88 Cb 0.00 -3.13 0.00 0.00 -1.16 0.00 0.00 32.46 28.17 2x9r n ARG 88 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11