#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wri n ILE 3 N 0.00 0.39 -1.81 0.52 -5.35 -1.26 -4.93 119.36 106.92 2wri n ILE 3 Ca 0.00 -0.07 -0.31 0.00 -0.27 0.00 0.00 62.75 62.10 2wri n ILE 3 Cb 0.00 -1.63 0.02 0.00 -1.74 0.00 0.00 39.64 36.29 2wri n ILE 3 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 2wri s THR 4 N 3.15 4.49 0.36 7.28 -4.23 -1.26 -4.87 115.64 120.56 2wri s THR 4 Ca 0.91 0.83 0.07 0.00 -1.18 0.00 0.00 61.69 62.32 2wri s THR 4 Cb -0.78 -3.72 0.30 0.00 1.34 0.00 0.00 72.50 69.65 2wri s THR 4 CO 0.51 -1.03 1.93 0.11 -0.54 0.00 0.00 174.62 175.60 2wri h LYS 5 N -0.36 0.70 0.20 3.99 1.57 -1.99 -0.33 116.57 120.35 2wri h LYS 5 Ca -0.44 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.29 2wri h LYS 5 Cb 1.20 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.35 2wri h LYS 5 CO 0.60 0.46 -0.09 0.93 -0.57 0.00 0.00 179.45 180.78 2wri h GLU 6 N 0.72 -0.25 -1.00 3.15 5.08 -1.99 -2.37 114.58 117.92 2wri h GLU 6 Ca 0.35 0.02 0.23 0.00 -1.00 0.00 0.00 59.36 58.96 2wri h GLU 6 Cb 0.40 0.06 -0.09 0.00 0.50 0.00 0.00 28.75 29.62 2wri h GLU 6 CO -0.13 0.13 0.63 1.49 -1.00 0.00 0.00 179.01 180.14 2wri h GLU 7 N -0.90 0.48 -0.18 2.33 4.81 -1.89 0.76 114.58 119.99 2wri h GLU 7 Ca -0.03 -0.03 -0.14 0.00 -0.13 0.00 0.00 59.36 59.04 2wri h GLU 7 Cb 0.50 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 2wri h GLU 7 CO 0.04 0.32 -0.47 -0.22 -0.73 0.00 0.00 179.01 177.96 2wri h LYS 8 N 0.50 0.46 0.50 1.92 3.64 -1.06 -3.13 116.57 119.40 2wri h LYS 8 Ca 0.57 -0.26 -0.02 0.00 -1.27 0.00 0.00 60.65 59.67 2wri h LYS 8 Cb 1.27 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 2wri h LYS 8 CO -0.30 0.83 -0.24 1.96 -2.27 0.00 0.00 179.45 179.43 2wri h GLN 9 N 0.37 -0.65 -0.83 1.90 1.08 0.90 -2.23 115.11 115.66 2wri h GLN 9 Ca 0.02 0.04 0.32 0.00 -1.45 0.00 0.00 58.65 57.59 2wri h GLN 9 Cb 0.96 0.15 -0.12 0.00 -0.05 0.00 0.00 27.48 28.42 2wri h GLN 9 CO 0.08 -0.37 0.48 0.36 -0.95 0.00 0.00 178.83 178.44 2wri n LYS 10 N -5.24 -0.04 0.00 1.46 -0.00 0.77 0.94 118.16 116.06 2wri n LYS 10 Ca -0.10 0.96 0.00 0.00 -0.00 0.00 0.00 58.31 59.18 2wri n LYS 10 Cb 0.30 -1.79 0.00 0.00 -0.00 0.00 0.00 35.03 33.54 2wri n LYS 10 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2wri n VAL 11 N -4.45 0.00 -0.34 0.58 0.31 -1.12 -3.75 118.33 109.56 2wri n VAL 11 Ca 0.28 0.76 0.01 0.00 -0.01 0.00 0.00 64.34 65.38 2wri n VAL 11 Cb 1.01 -1.65 0.06 0.00 -0.91 0.00 0.00 33.84 32.35 2wri n VAL 11 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 2wri n ILE 12 N -1.74 -0.44 -0.97 2.52 5.41 0.43 0.47 119.36 125.03 2wri n ILE 12 Ca 0.00 2.07 -0.30 0.00 1.00 0.00 0.00 62.75 65.53 2wri n ILE 12 Cb 0.00 -2.77 -0.02 0.00 -0.71 0.00 0.00 39.64 36.14 2wri n ILE 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2wri n GLN 13 N -5.35 2.33 0.00 0.38 6.02 0.27 -2.52 117.38 118.51 2wri n GLN 13 Ca 0.10 -1.72 0.00 0.00 -0.01 0.00 0.00 57.00 55.37 2wri n GLN 13 Cb 0.38 -2.64 0.00 0.00 1.02 0.00 0.00 30.24 29.00 2wri n GLN 13 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 2wri n GLU 14 N 4.65 0.00 0.00 -1.09 4.07 0.18 -4.76 120.64 123.69 2wri n GLU 14 Ca 0.52 0.00 0.05 0.00 -0.06 0.00 0.00 57.16 57.67 2wri n GLU 14 Cb 0.21 0.00 0.28 0.00 -0.06 0.00 0.00 31.44 31.86 2wri n GLU 14 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 2wri n PHE 15 N -0.92 0.00 -1.66 4.31 3.01 -1.10 -4.78 117.46 116.32 2wri n PHE 15 Ca 0.00 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 58.07 2wri n PHE 15 Cb 0.00 -0.15 0.04 0.00 -0.01 0.00 0.00 39.48 39.35 2wri n PHE 15 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2wri n ALA 16 N -1.15 0.68 0.93 4.37 0.00 -1.05 -4.27 120.51 120.02 2wri n ALA 16 Ca 0.06 0.12 0.13 0.00 0.00 0.00 0.00 53.44 53.75 2wri n ALA 16 Cb 0.06 -2.19 0.35 0.00 0.00 0.00 0.00 19.45 17.67 2wri n ALA 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wri n ARG 17 N -0.62 0.05 -3.65 0.00 5.12 -1.26 -4.87 116.66 111.43 2wri n ARG 17 Ca 0.11 0.02 -0.02 0.00 -1.93 0.00 0.00 57.85 56.03 2wri n ARG 17 Cb 0.44 -1.54 -0.07 0.00 -1.16 0.00 0.00 32.46 30.13 2wri n ARG 17 CO 0.00 0.00 0.00 -0.59 -1.93 0.00 0.00 177.63 175.11 2wri s PHE 18 N -3.03 -0.08 -0.45 -1.55 -0.12 -1.26 -5.09 117.98 106.40 2wri s PHE 18 Ca 0.11 0.19 -0.40 0.00 -0.05 0.00 0.00 56.93 56.78 2wri s PHE 18 Cb 0.17 0.35 -0.17 0.00 -0.63 0.00 0.00 43.02 42.74 2wri s PHE 18 CO 0.65 -0.04 1.87 -2.30 -0.05 0.00 0.00 175.22 175.35 2wri n PRO 19 N 2.06 0.00 0.00 1.99 -0.02 -1.26 -1.78 135.00 136.00 2wri n PRO 19 Ca -0.12 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.36 2wri n PRO 19 Cb 0.57 -1.36 0.00 0.00 -0.02 0.00 0.00 33.50 32.69 2wri n PRO 19 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wri n GLY 20 N 6.33 1.55 3.09 -1.23 0.00 -1.26 -5.08 105.19 108.60 2wri n GLY 20 Ca 0.47 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.13 2wri n GLY 20 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wri s ASP 21 N -2.00 5.12 0.01 1.61 3.68 -0.73 -4.93 116.67 119.43 2wri s ASP 21 Ca 0.00 -2.38 0.16 0.00 2.13 0.00 0.00 52.55 52.46 2wri s ASP 21 Cb 0.00 -1.80 -0.18 0.00 -1.45 0.00 0.00 42.92 39.49 2wri s ASP 21 CO 0.00 -0.45 0.71 0.35 0.13 0.00 0.00 175.17 175.91 2wri n THR 22 N 4.10 1.28 0.00 1.71 -2.24 -1.26 -4.75 114.28 113.12 2wri n THR 22 Ca 0.02 -0.73 0.00 0.00 -2.27 0.00 0.00 64.05 61.07 2wri n THR 22 Cb 0.40 -0.78 0.00 0.00 -2.10 0.00 0.00 70.33 67.85 2wri n THR 22 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wri n GLY 23 N 1.46 0.97 1.73 3.38 0.00 -1.26 -4.71 105.19 106.76 2wri n GLY 23 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2wri n GLY 23 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2wri n SER 24 N 0.00 -6.15 0.00 1.61 2.88 -1.26 -3.79 113.62 106.90 2wri n SER 24 Ca 0.00 1.19 0.00 0.00 -1.33 0.00 0.00 58.87 58.73 2wri n SER 24 Cb 0.00 -3.92 0.00 0.00 -0.75 0.00 0.00 64.21 59.54 2wri n SER 24 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 2wri n THR 25 N 0.30 0.00 -0.01 2.46 -1.04 -1.26 -2.15 114.28 112.58 2wri n THR 25 Ca 0.00 1.28 -0.00 0.00 -2.04 0.00 0.00 64.05 63.29 2wri n THR 25 Cb 0.00 -1.92 -0.00 0.00 -1.82 0.00 0.00 70.33 66.59 2wri n THR 25 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2wri n GLU 26 N -1.91 -0.01 0.00 -2.82 -0.58 -1.26 0.10 120.64 114.17 2wri n GLU 26 Ca 0.00 0.07 -0.10 0.00 -0.42 0.00 0.00 57.16 56.72 2wri n GLU 26 Cb 0.00 -0.11 -0.06 0.00 -0.57 0.00 0.00 31.44 30.70 2wri n GLU 26 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2wri h VAL 27 N 0.00 0.00 -1.24 2.62 2.07 -1.66 -1.51 116.25 116.52 2wri h VAL 27 Ca 0.00 0.00 0.43 0.00 0.82 0.00 0.00 66.70 67.95 2wri h VAL 27 Cb 0.01 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 29.64 2wri h VAL 27 CO -0.01 0.00 0.78 1.56 0.02 0.00 0.00 177.57 179.91 2wri h GLN 28 N -0.38 0.08 -0.34 1.57 4.20 0.19 0.99 115.11 121.42 2wri h GLN 28 Ca 0.02 -0.01 -0.16 0.00 0.06 0.00 0.00 58.65 58.56 2wri h GLN 28 Cb 0.43 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.19 2wri h GLN 28 CO -0.27 0.06 -0.43 0.28 -0.67 0.00 0.00 178.83 177.80 2wri h VAL 29 N 0.09 1.28 0.92 -0.54 2.07 -0.70 -1.45 116.25 117.91 2wri h VAL 29 Ca 0.82 -1.61 -0.05 0.00 0.82 0.00 0.00 66.70 66.69 2wri h VAL 29 Cb 2.46 1.46 0.01 0.00 -1.52 0.00 0.00 31.29 33.70 2wri h VAL 29 CO -0.50 0.53 -0.44 0.00 0.02 0.00 0.00 177.57 177.18 2wri h ALA 30 N 0.80 -1.24 -0.86 1.67 0.00 0.15 -0.30 119.26 119.48 2wri h ALA 30 Ca 0.05 -0.27 0.14 0.00 0.00 0.00 0.00 54.91 54.82 2wri h ALA 30 Cb 1.02 0.48 -0.14 0.00 0.00 0.00 0.00 17.79 19.14 2wri h ALA 30 CO 0.10 -1.16 -0.38 -0.07 0.00 0.00 0.00 179.25 177.74 2wri h LEU 31 N -1.31 -1.38 0.71 0.00 -0.00 -1.09 0.15 115.31 112.40 2wri h LEU 31 Ca -0.13 0.28 -0.03 0.00 -0.00 0.00 0.00 57.88 58.01 2wri h LEU 31 Cb 0.95 0.71 -0.01 0.00 -0.00 0.00 0.00 40.66 42.31 2wri h LEU 31 CO 0.21 -0.29 -0.46 -0.07 -0.00 0.00 0.00 178.44 177.82 2wri h LEU 32 N -0.06 -1.18 -1.42 1.67 3.38 -1.17 -1.83 115.31 114.70 2wri h LEU 32 Ca 0.30 0.07 0.31 0.00 0.09 0.00 0.00 57.88 58.65 2wri h LEU 32 Cb 0.58 0.35 -0.10 0.00 0.09 0.00 0.00 40.66 41.58 2wri h LEU 32 CO -0.88 -0.69 0.73 0.74 0.09 0.00 0.00 178.44 178.42 2wri h THR 33 N -1.11 0.41 0.85 0.22 2.02 0.02 0.40 112.91 115.73 2wri h THR 33 Ca -0.10 -0.10 -0.04 0.00 0.77 0.00 0.00 66.41 66.94 2wri h THR 33 Cb 0.89 0.10 0.01 0.00 -1.74 0.00 0.00 68.15 67.41 2wri h THR 33 CO 0.08 0.05 -0.41 0.25 0.37 0.00 0.00 175.52 175.86 2wri h LEU 34 N 0.29 -0.97 -0.46 2.58 5.85 -0.28 -2.59 115.31 119.73 2wri h LEU 34 Ca 0.65 0.03 0.09 0.00 0.84 0.00 0.00 57.88 59.49 2wri h LEU 34 Cb 1.83 0.25 -0.09 0.00 0.37 0.00 0.00 40.66 43.02 2wri h LEU 34 CO -0.31 -0.65 -0.17 0.03 -0.34 0.00 0.00 178.44 177.01 2wri h ARG 35 N -1.23 -0.06 -0.08 1.25 3.08 0.45 -2.81 114.38 114.98 2wri h ARG 35 Ca -0.12 0.00 0.04 0.00 0.07 0.00 0.00 59.98 59.98 2wri h ARG 35 Cb 0.89 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.89 2wri h ARG 35 CO 0.19 -0.04 -0.41 0.82 -1.07 0.00 0.00 179.97 179.46 2wri h ILE 36 N -0.07 0.16 -0.60 2.04 2.04 -0.56 0.45 117.51 120.97 2wri h ILE 36 Ca 0.22 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.18 2wri h ILE 36 Cb 0.41 0.16 -0.07 0.00 -0.74 0.00 0.00 36.82 36.58 2wri h ILE 36 CO -0.51 0.00 0.22 0.78 0.00 0.00 0.00 178.15 178.64 2wri h ASN 37 N -0.51 0.22 0.02 1.72 -0.26 -1.25 0.87 115.58 116.37 2wri h ASN 37 Ca 0.07 0.08 0.01 0.00 -0.56 0.00 0.00 56.30 55.89 2wri h ASN 37 Cb 0.63 0.06 -0.01 0.00 -1.06 0.00 0.00 38.32 37.94 2wri h ASN 37 CO -0.36 0.13 -0.05 0.03 -1.06 0.00 0.00 177.43 176.12 2wri h ARG 38 N 0.40 -0.10 0.38 0.81 2.47 -1.19 -1.31 114.38 115.84 2wri h ARG 38 Ca 0.30 0.01 -0.00 0.00 -1.26 0.00 0.00 59.98 59.03 2wri h ARG 38 Cb 0.38 0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 28.69 2wri h ARG 38 CO -0.31 -0.06 -0.44 1.25 0.56 0.00 0.00 179.97 180.97 2wri h LEU 39 N -0.10 -1.21 -1.02 3.04 6.46 0.18 -0.91 115.31 121.75 2wri h LEU 39 Ca 0.02 0.11 0.42 0.00 -0.12 0.00 0.00 57.88 58.31 2wri h LEU 39 Cb 0.12 0.41 -0.18 0.00 -0.73 0.00 0.00 40.66 40.28 2wri h LEU 39 CO -0.04 -0.58 0.56 -1.28 -0.62 0.00 0.00 178.44 176.48 2wri h SER 40 N -0.85 0.31 -0.01 1.25 0.87 0.11 0.62 113.55 115.85 2wri h SER 40 Ca -0.03 0.25 -0.15 0.00 -1.23 0.00 0.00 61.79 60.63 2wri h SER 40 Cb 0.77 0.26 0.01 0.00 -0.44 0.00 0.00 62.40 63.00 2wri h SER 40 CO -0.10 -0.43 -0.58 -0.08 -0.53 0.00 0.00 176.83 175.11 2wri h GLU 41 N 0.00 0.42 -0.87 2.24 4.57 -0.20 0.18 114.58 120.92 2wri h GLU 41 Ca 0.85 -0.43 0.11 0.00 -1.18 0.00 0.00 59.36 58.71 2wri h GLU 41 Cb 2.29 0.12 -0.08 0.00 -0.16 0.00 0.00 28.75 30.91 2wri h GLU 41 CO -0.75 1.09 0.50 1.25 -1.18 0.00 0.00 179.01 179.92 2wri h HIS 42 N -0.08 0.89 -0.11 0.92 -0.00 0.13 -0.38 115.15 116.53 2wri h HIS 42 Ca -0.07 0.03 -0.18 0.00 -0.00 0.00 0.00 60.37 60.16 2wri h HIS 42 Cb 1.29 -0.27 -0.00 0.00 -0.00 0.00 0.00 27.41 28.42 2wri h HIS 42 CO 0.14 0.33 -0.67 -0.07 -0.00 0.00 0.00 177.93 177.66 2wri h LEU 43 N 0.79 0.53 0.00 0.26 3.38 -0.38 -0.39 115.31 119.51 2wri h LEU 43 Ca 0.44 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2wri h LEU 43 Cb 0.47 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2wri h LEU 43 CO -0.28 1.06 0.00 0.29 0.09 0.00 0.00 178.44 179.59 2wri n LYS 44 N -3.88 0.21 0.02 1.13 5.02 0.04 -3.35 118.16 117.34 2wri n LYS 44 Ca -0.04 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.25 2wri n LYS 44 Cb 0.67 -1.48 -0.00 0.00 -0.02 0.00 0.00 35.03 34.21 2wri n LYS 44 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2wri n VAL 45 N -0.98 0.48 -2.72 -0.18 0.31 -1.04 -4.88 118.33 109.33 2wri n VAL 45 Ca 0.05 0.16 -0.42 0.00 -0.01 0.00 0.00 64.34 64.11 2wri n VAL 45 Cb 0.02 -1.24 -0.02 0.00 -0.91 0.00 0.00 33.84 31.69 2wri n VAL 45 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 2wri s HIS 46 N -1.39 2.84 -2.27 3.52 3.76 -0.18 -4.81 115.29 116.75 2wri s HIS 46 Ca -0.00 -1.23 0.23 0.00 -0.15 0.00 0.00 55.06 53.91 2wri s HIS 46 Cb 0.00 -4.54 0.95 0.00 1.11 0.00 0.00 32.58 30.10 2wri s HIS 46 CO 0.00 -1.73 1.66 1.63 -0.85 0.00 0.00 174.74 175.46 2wri n LYS 47 N 7.78 1.57 0.00 1.40 5.02 -1.23 -3.38 118.16 129.32 2wri n LYS 47 Ca 0.32 -0.84 0.07 0.00 -2.02 0.00 0.00 58.31 55.84 2wri n LYS 47 Cb 0.49 -1.41 0.04 0.00 -0.02 0.00 0.00 35.03 34.14 2wri n LYS 47 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2wri n LYS 48 N 0.05 1.26 -1.19 1.97 4.76 -1.26 -4.62 118.16 119.13 2wri n LYS 48 Ca 0.17 -1.18 -0.32 0.00 -2.87 0.00 0.00 58.31 54.11 2wri n LYS 48 Cb 0.29 -1.26 -0.06 0.00 -1.84 0.00 0.00 35.03 32.16 2wri n LYS 48 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2wri n ASP 49 N 0.53 7.65 -0.06 4.39 -0.08 -1.22 -4.55 116.55 123.21 2wri n ASP 49 Ca 0.08 -2.52 0.15 0.00 -1.51 0.00 0.00 54.79 50.99 2wri n ASP 49 Cb 0.34 -1.48 0.56 0.00 2.34 0.00 0.00 41.12 42.89 2wri n ASP 49 CO 0.00 0.00 0.00 0.45 0.12 0.00 0.00 177.20 177.77 2wri h HIS 50 N 4.68 0.30 -0.09 -0.67 3.86 -1.88 -2.32 115.15 119.03 2wri h HIS 50 Ca 0.69 0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.95 2wri h HIS 50 Cb 0.53 -0.10 -0.04 0.00 1.06 0.00 0.00 27.41 28.86 2wri h HIS 50 CO 1.87 0.13 -0.17 0.45 0.86 0.00 0.00 177.93 181.07 2wri h HIS 51 N 0.27 -0.44 -0.34 2.45 3.86 -2.00 -1.50 115.15 117.45 2wri h HIS 51 Ca 0.28 0.02 -0.07 0.00 -1.16 0.00 0.00 60.37 59.44 2wri h HIS 51 Cb 0.74 0.21 -0.02 0.00 1.06 0.00 0.00 27.41 29.40 2wri h HIS 51 CO -0.00 -0.24 -0.08 0.77 0.86 0.00 0.00 177.93 179.23 2wri h SER 52 N -0.23 0.55 -1.02 2.45 0.02 -1.82 -2.34 113.55 111.16 2wri h SER 52 Ca 0.08 -0.14 0.27 0.00 -0.84 0.00 0.00 61.79 61.17 2wri h SER 52 Cb 0.35 -0.15 -0.07 0.00 0.14 0.00 0.00 62.40 62.67 2wri h SER 52 CO -0.22 0.68 0.69 -0.74 -1.14 0.00 0.00 176.83 176.10 2wri h HIS 53 N 0.53 0.37 -0.66 3.45 6.17 -1.01 0.48 115.15 124.49 2wri h HIS 53 Ca 0.10 0.01 -0.09 0.00 0.71 0.00 0.00 60.37 61.11 2wri h HIS 53 Cb 0.47 -0.11 -0.03 0.00 2.52 0.00 0.00 27.41 30.27 2wri h HIS 53 CO 0.02 0.05 0.08 -0.09 0.71 0.00 0.00 177.93 178.70 2wri h ARG 54 N 0.24 1.11 0.54 5.26 2.43 -0.91 -2.36 114.38 120.68 2wri h ARG 54 Ca 0.54 -0.31 -0.02 0.00 -0.81 0.00 0.00 59.98 59.38 2wri h ARG 54 Cb 1.66 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 31.08 2wri h ARG 54 CO -0.16 1.03 -0.38 0.78 -1.51 0.00 0.00 179.97 179.73 2wri h GLY 55 N 1.03 -0.98 -0.72 2.80 0.00 -0.16 -2.38 103.07 102.66 2wri h GLY 55 Ca 0.20 0.43 0.09 0.00 0.00 0.00 0.00 47.33 48.04 2wri h GLY 55 CO 0.02 -0.34 -0.35 -0.10 0.00 0.00 0.00 176.54 175.77 2wri n LEU 56 N -5.50 -0.61 0.20 3.11 7.94 -0.81 0.15 117.00 121.49 2wri n LEU 56 Ca -0.12 1.27 -0.16 0.00 -1.11 0.00 0.00 56.01 55.90 2wri n LEU 56 Cb 0.40 -0.23 -0.09 0.00 0.53 0.00 0.00 43.42 44.03 2wri n LEU 56 CO 0.32 -1.10 0.52 -0.07 -1.11 0.00 0.00 177.39 175.96 2wri h LEU 57 N 0.00 -1.30 -0.83 -1.96 -0.00 -1.10 0.22 115.31 110.34 2wri h LEU 57 Ca 0.19 0.12 0.21 0.00 -0.00 0.00 0.00 57.88 58.39 2wri h LEU 57 Cb 0.37 0.45 -0.13 0.00 -0.00 0.00 0.00 40.66 41.35 2wri h LEU 57 CO -0.70 -0.56 0.17 0.24 -0.00 0.00 0.00 178.44 177.59 2wri h MET 58 N -0.82 0.19 -0.05 1.13 2.86 -0.13 0.33 114.93 118.44 2wri h MET 58 Ca -0.04 -0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.62 2wri h MET 58 Cb 0.74 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.33 2wri h MET 58 CO -0.13 0.13 -0.13 1.98 1.06 0.00 0.00 176.91 179.82 2wri h MET 59 N 0.20 -0.19 0.23 1.72 -1.53 0.57 -0.53 114.93 115.39 2wri h MET 59 Ca 0.50 0.01 -0.01 0.00 -3.44 0.00 0.00 59.70 56.76 2wri h MET 59 Cb 0.95 0.04 0.00 0.00 -0.55 0.00 0.00 31.60 32.04 2wri h MET 59 CO -0.63 -0.13 -0.11 0.28 0.14 0.00 0.00 176.91 176.46 2wri h VAL 60 N -0.20 0.82 -0.18 -5.77 2.07 0.23 -2.47 116.25 110.76 2wri h VAL 60 Ca 0.06 -0.25 0.05 0.00 0.82 0.00 0.00 66.70 67.39 2wri h VAL 60 Cb 0.28 0.97 -0.07 0.00 -1.52 0.00 0.00 31.29 30.95 2wri h VAL 60 CO -0.17 0.06 -0.32 1.23 0.02 0.00 0.00 177.57 178.39 2wri h GLY 61 N -0.43 -0.40 0.25 2.17 0.00 -0.39 0.02 103.07 104.29 2wri h GLY 61 Ca -0.03 0.39 0.19 0.00 0.00 0.00 0.00 47.33 47.88 2wri h GLY 61 CO 0.05 -0.22 0.61 -1.61 0.00 0.00 0.00 176.54 175.37 2wri h GLN 62 N -0.36 0.62 -0.13 4.80 5.75 -1.06 0.10 115.11 124.83 2wri h GLN 62 Ca 0.11 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.56 2wri h GLN 62 Cb 0.54 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.94 2wri h GLN 62 CO -0.38 0.41 0.02 -0.09 -2.65 0.00 0.00 178.83 176.14 2wri h ARG 63 N 0.64 0.21 -0.71 1.69 2.43 -0.57 -2.98 114.38 115.09 2wri h ARG 63 Ca 0.52 -0.05 0.14 0.00 -0.81 0.00 0.00 59.98 59.78 2wri h ARG 63 Cb 0.96 -0.03 -0.13 0.00 -0.42 0.00 0.00 29.97 30.35 2wri h ARG 63 CO -0.28 0.39 -0.20 -0.09 -1.51 0.00 0.00 179.97 178.28 2wri h ARG 64 N -0.01 -0.02 0.05 0.20 2.43 0.68 0.58 114.38 118.29 2wri h ARG 64 Ca 0.04 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.22 2wri h ARG 64 Cb 0.28 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.80 2wri h ARG 64 CO 0.00 -0.01 -0.33 0.00 -1.51 0.00 0.00 179.97 178.12 2wri h ARG 65 N -0.02 -0.44 -0.57 0.20 -0.00 -1.24 0.43 114.38 112.74 2wri h ARG 65 Ca 0.34 0.03 0.08 0.00 -0.50 0.00 0.00 59.98 59.92 2wri h ARG 65 Cb 0.53 0.10 -0.10 0.00 0.00 0.00 0.00 29.97 30.50 2wri h ARG 65 CO -0.74 -0.29 -0.48 -0.07 0.00 0.00 0.00 179.97 178.39 2wri h LEU 66 N -0.46 -1.66 -0.12 3.04 4.07 -1.16 0.59 115.31 119.61 2wri h LEU 66 Ca -0.00 0.25 0.04 0.00 0.08 0.00 0.00 57.88 58.26 2wri h LEU 66 Cb 0.47 0.73 -0.05 0.00 1.08 0.00 0.00 40.66 42.89 2wri h LEU 66 CO -0.19 -0.35 -0.18 -0.07 -1.08 0.00 0.00 178.44 176.57 2wri h LEU 67 N -0.25 -0.55 -1.00 1.67 3.38 -0.58 -0.71 115.31 117.26 2wri h LEU 67 Ca 0.15 0.10 0.14 0.00 0.09 0.00 0.00 57.88 58.35 2wri h LEU 67 Cb 0.56 0.25 -0.09 0.00 0.09 0.00 0.00 40.66 41.48 2wri h LEU 67 CO -0.69 -0.23 0.62 -0.09 0.09 0.00 0.00 178.44 178.14 2wri h ARG 68 N -0.23 0.91 0.23 1.13 2.43 0.18 -0.16 114.38 118.87 2wri h ARG 68 Ca 0.09 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 2wri h ARG 68 Cb 0.37 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 2wri h ARG 68 CO -0.25 0.60 -0.23 -0.92 -1.51 0.00 0.00 179.97 177.65 2wri h TYR 69 N 0.94 -0.62 -0.18 2.20 3.20 0.14 -2.27 116.97 120.37 2wri h TYR 69 Ca 0.51 0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.44 2wri h TYR 69 Cb 0.58 0.24 -0.06 0.00 1.54 0.00 0.00 36.73 39.04 2wri h TYR 69 CO -0.01 -0.35 -0.18 1.25 -1.64 0.00 0.00 178.16 177.24 2wri h LEU 70 N -0.50 -0.56 -1.75 2.82 5.85 0.04 0.37 115.31 121.58 2wri h LEU 70 Ca -0.00 0.11 0.20 0.00 0.84 0.00 0.00 57.88 59.03 2wri h LEU 70 Cb 0.47 0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.72 2wri h LEU 70 CO -0.05 -0.22 0.56 -0.61 -0.34 0.00 0.00 178.44 177.77 2wri h GLN 71 N -0.20 0.21 0.03 1.25 4.15 -0.91 0.77 115.11 120.42 2wri h GLN 71 Ca 0.11 -0.01 -0.25 0.00 0.77 0.00 0.00 58.65 59.28 2wri h GLN 71 Cb 0.37 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 27.98 2wri h GLN 71 CO -0.30 0.14 -1.23 -0.09 -1.93 0.00 0.00 178.83 175.43 2wri h ARG 72 N 0.22 0.07 0.06 1.69 2.43 -0.62 -3.28 114.38 114.95 2wri h ARG 72 Ca 0.40 -0.12 -0.00 0.00 -0.81 0.00 0.00 59.98 59.45 2wri h ARG 72 Cb 1.25 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.85 2wri h ARG 72 CO -0.09 0.96 -0.03 0.93 -1.51 0.00 0.00 179.97 180.23 2wri h GLU 73 N 0.02 -0.08 -2.44 0.20 4.39 0.15 -3.44 114.58 113.37 2wri h GLU 73 Ca -0.11 0.01 -0.51 0.00 0.34 0.00 0.00 59.36 59.09 2wri h GLU 73 Cb 1.87 0.02 -0.37 0.00 -0.10 0.00 0.00 28.75 30.17 2wri h GLU 73 CO 0.14 -0.04 -0.79 0.34 -1.16 0.00 0.00 179.01 177.49 2wri s ASP 74 N -5.46 2.57 0.00 1.42 2.15 0.23 -4.97 116.67 112.61 2wri s ASP 74 Ca -0.01 -1.84 0.00 0.00 0.43 0.00 0.00 52.55 51.13 2wri s ASP 74 Cb 0.00 -0.12 0.00 0.00 -0.30 0.00 0.00 42.92 42.50 2wri s ASP 74 CO 0.04 -0.32 0.11 -0.81 -0.17 0.00 0.00 175.17 174.02 2wri n PRO 75 N 4.34 0.00 0.00 4.34 -0.04 -1.24 -3.00 135.00 139.40 2wri n PRO 75 Ca 0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 2wri n PRO 75 Cb 0.40 -1.11 0.00 0.00 -0.04 0.00 0.00 33.50 32.75 2wri n PRO 75 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2wri n GLU 76 N -0.57 0.00 0.00 0.54 4.07 -1.26 -3.45 120.64 119.97 2wri n GLU 76 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 2wri n GLU 76 Cb 0.00 -0.18 0.00 0.00 -0.06 0.00 0.00 31.44 31.20 2wri n GLU 76 CO 0.00 0.00 0.00 2.89 -0.06 0.00 0.00 177.13 179.96 2wri n ARG 77 N -0.76 0.00 0.00 5.31 1.85 -1.19 0.55 116.66 122.42 2wri n ARG 77 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 2wri n ARG 77 Cb 0.00 -1.47 0.00 0.00 -1.05 0.00 0.00 32.46 29.94 2wri n ARG 77 CO 0.00 0.00 0.00 0.98 -0.01 0.00 0.00 177.63 178.60 2wri n TYR 78 N -0.83 0.00 -0.30 2.89 9.36 -1.16 -2.42 117.16 124.70 2wri n TYR 78 Ca 0.00 0.00 0.29 0.00 3.32 0.00 0.00 57.90 61.51 2wri n TYR 78 Cb 0.00 -0.48 0.52 0.00 -0.63 0.00 0.00 39.34 38.76 2wri n TYR 78 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 2wri n ARG 79 N -2.02 -0.05 0.00 2.98 1.74 0.19 -1.55 116.66 117.95 2wri n ARG 79 Ca 0.00 1.18 0.00 0.00 -0.77 0.00 0.00 57.85 58.26 2wri n ARG 79 Cb 0.00 -2.15 0.00 0.00 -1.02 0.00 0.00 32.46 29.29 2wri n ARG 79 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wri n ALA 80 N -2.39 0.00 -0.01 7.54 0.00 -0.79 -2.90 120.51 121.95 2wri n ALA 80 Ca 0.33 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.77 2wri n ALA 80 Cb 1.16 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.61 2wri n ALA 80 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2wri n LEU 81 N -0.46 -0.02 -0.49 0.00 7.94 -0.60 0.14 117.00 123.51 2wri n LEU 81 Ca 0.00 0.52 0.42 0.00 -1.11 0.00 0.00 56.01 55.84 2wri n LEU 81 Cb 0.00 -0.25 0.76 0.00 0.53 0.00 0.00 43.42 44.46 2wri n LEU 81 CO 0.00 -0.27 1.38 -0.29 -1.11 0.00 0.00 177.39 177.10 2wri h ILE 82 N 0.00 0.22 0.03 1.96 -0.00 -1.46 -0.59 117.51 117.67 2wri h ILE 82 Ca 0.00 -0.01 -0.23 0.00 -0.00 0.00 0.00 64.86 64.62 2wri h ILE 82 Cb 0.01 0.18 -0.02 0.00 -0.00 0.00 0.00 36.82 36.99 2wri h ILE 82 CO -0.02 0.01 -1.25 -0.08 -0.00 0.00 0.00 178.15 176.80 2wri h GLU 83 N 0.03 0.07 -1.39 2.19 4.81 0.14 -2.01 114.58 118.42 2wri h GLU 83 Ca 0.75 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.86 2wri h GLU 83 Cb 2.88 0.04 0.00 0.00 0.63 0.00 0.00 28.75 32.31 2wri h GLU 83 CO -0.07 1.06 0.00 1.63 -0.73 0.00 0.00 179.01 180.89 2wri n LYS 84 N -4.26 0.46 0.00 1.92 5.02 0.21 -0.55 118.16 120.97 2wri n LYS 84 Ca -0.29 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.00 2wri n LYS 84 Cb 0.74 -1.26 0.00 0.00 -0.02 0.00 0.00 35.03 34.48 2wri n LYS 84 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 2wri n LEU 85 N 0.70 0.00 -2.58 -0.35 0.00 -0.98 -4.96 117.00 108.83 2wri n LEU 85 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 56.01 55.98 2wri n LEU 85 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.64 2wri n LEU 85 CO 0.00 0.00 0.16 0.61 0.00 0.00 0.00 177.39 178.16 2wri n GLY 86 N -0.00 -1.07 0.53 -3.96 0.00 0.29 -5.07 105.19 95.90 2wri n GLY 86 Ca 0.00 0.58 -0.03 0.00 0.00 0.00 0.00 46.02 46.58 2wri n GLY 86 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2wri n ILE 87 N -1.00 0.00 -3.14 -0.61 -5.35 -0.81 -5.01 119.36 103.44 2wri n ILE 87 Ca 0.04 -0.32 -0.11 0.00 -0.27 0.00 0.00 62.75 62.09 2wri n ILE 87 Cb 0.43 0.18 0.01 0.00 -1.74 0.00 0.00 39.64 38.51 2wri n ILE 87 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 2wri n ARG 88 N -0.09 -1.80 0.00 6.28 0.00 -1.26 -4.87 116.66 114.91 2wri n ARG 88 Ca 0.00 1.62 0.00 0.00 -0.00 0.00 0.00 57.85 59.47 2wri n ARG 88 Cb 0.09 -4.83 0.00 0.00 0.00 0.00 0.00 32.46 27.73 2wri n ARG 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04