#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1isc s PHE 2 N 0.00 1.74 0.24 1.43 0.08 -1.26 -5.14 117.98 115.07 1isc s PHE 2 Ca 0.00 -0.38 0.11 0.00 0.12 0.00 0.00 56.93 56.78 1isc s PHE 2 Cb 0.00 -1.02 -0.05 0.00 -0.57 0.00 0.00 43.02 41.38 1isc s PHE 2 CO 0.00 0.11 -0.15 -1.21 -0.10 0.00 0.00 175.22 173.86 1isc s GLU 3 N -1.31 1.83 -0.19 0.44 2.02 -1.26 -4.92 118.70 115.31 1isc s GLU 3 Ca 0.07 -1.55 -0.29 0.00 0.02 0.00 0.00 54.97 53.22 1isc s GLU 3 Cb -0.09 -1.94 -0.02 0.00 0.10 0.00 0.00 34.13 32.18 1isc s GLU 3 CO 0.02 0.37 1.41 -1.17 0.02 0.00 0.00 175.26 175.92 1isc s LEU 4 N -3.21 4.06 0.62 1.80 2.96 -1.26 -5.00 118.68 118.65 1isc s LEU 4 Ca 0.27 1.64 -0.18 0.00 -0.22 0.00 0.00 54.13 55.64 1isc s LEU 4 Cb -0.07 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 43.07 1isc s LEU 4 CO 0.15 -0.98 1.25 -2.84 -1.32 0.00 0.00 176.35 172.61 1isc s PRO 5 N 4.01 2.74 0.47 0.98 0.02 -1.26 -4.96 135.00 137.00 1isc s PRO 5 Ca 0.62 1.95 -0.23 0.00 0.02 0.00 0.00 61.00 63.35 1isc s PRO 5 Cb -0.23 -1.88 -0.07 0.00 0.02 0.00 0.00 34.50 32.34 1isc s PRO 5 CO 0.22 -1.42 1.23 0.00 -0.33 0.00 0.00 177.00 176.70 1isc s ALA 6 N -1.50 2.98 0.31 -1.55 0.00 -1.26 -4.97 121.76 115.77 1isc s ALA 6 Ca 0.80 1.07 -0.29 0.00 0.00 0.00 0.00 51.96 53.54 1isc s ALA 6 Cb -0.34 -3.44 -0.10 0.00 0.00 0.00 0.00 23.12 19.24 1isc s ALA 6 CO 0.37 -0.84 1.24 -1.17 0.00 0.00 0.00 175.76 175.36 1isc s LEU 7 N -3.04 4.47 0.00 0.00 2.96 -1.26 -4.93 118.68 116.88 1isc s LEU 7 Ca 0.64 2.54 0.17 0.00 -0.22 0.00 0.00 54.13 57.26 1isc s LEU 7 Cb -0.33 -3.64 0.74 0.00 0.50 0.00 0.00 46.19 43.47 1isc s LEU 7 CO 0.40 -0.41 1.52 -2.65 -1.32 0.00 0.00 176.35 173.89 1isc n PRO 8 N 1.03 0.06 -4.05 0.98 -0.02 -1.26 -4.84 135.00 126.91 1isc n PRO 8 Ca 0.00 0.19 -0.10 0.00 -2.02 0.00 0.00 63.50 61.57 1isc n PRO 8 Cb 0.43 -1.50 -0.06 0.00 -0.02 0.00 0.00 33.50 32.35 1isc n PRO 8 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 1isc s TYR 9 N -2.89 0.60 0.70 6.00 -0.85 -1.26 -5.11 117.35 114.53 1isc s TYR 9 Ca 0.10 -0.92 -0.15 0.00 -0.52 0.00 0.00 57.07 55.58 1isc s TYR 9 Cb 0.11 0.01 0.02 0.00 0.38 0.00 0.00 41.96 42.49 1isc s TYR 9 CO 0.29 -0.94 1.15 0.00 -1.52 0.00 0.00 175.55 174.53 1isc s ALA 10 N -3.92 2.29 -0.10 9.51 0.00 -1.26 -4.93 121.76 123.34 1isc s ALA 10 Ca 0.27 0.68 0.30 0.00 0.00 0.00 0.00 51.96 53.21 1isc s ALA 10 Cb 0.01 -3.39 1.31 0.00 0.00 0.00 0.00 23.12 21.05 1isc s ALA 10 CO 0.11 -1.58 1.89 1.57 0.00 0.00 0.00 175.76 177.75 1isc h LYS 11 N -0.18 0.00 -0.59 0.00 2.10 -1.98 -2.12 116.57 113.81 1isc h LYS 11 Ca -0.47 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 1isc h LYS 11 Cb 1.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 1isc h LYS 11 CO 0.52 0.00 0.00 -0.40 -2.00 0.00 0.00 179.45 177.57 1isc n ASP 12 N -2.69 3.69 0.23 7.07 5.75 -1.26 -3.97 116.55 125.37 1isc n ASP 12 Ca 0.01 -1.99 0.16 0.00 -0.01 0.00 0.00 54.79 52.95 1isc n ASP 12 Cb 0.23 -0.39 0.62 0.00 -1.03 0.00 0.00 41.12 40.55 1isc n ASP 12 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1isc h ALA 13 N 4.09 1.00 -0.07 2.12 0.00 -1.74 -3.02 119.26 121.65 1isc h ALA 13 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1isc h ALA 13 Cb 0.96 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1isc h ALA 13 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.53 1isc n LEU 14 N -2.83 2.50 -4.77 0.00 4.77 -1.26 -4.42 117.00 110.99 1isc n LEU 14 Ca 0.01 -0.88 -0.37 0.00 -0.03 0.00 0.00 56.01 54.75 1isc n LEU 14 Cb 0.29 -0.03 -0.01 0.00 -2.33 0.00 0.00 43.42 41.34 1isc n LEU 14 CO 0.25 0.44 0.82 0.00 -1.33 0.00 0.00 177.39 177.57 1isc s ALA 15 N -1.93 2.94 -2.12 -1.18 0.00 -1.09 -1.41 121.76 116.95 1isc s ALA 15 Ca 0.32 0.90 0.15 0.00 0.00 0.00 0.00 51.96 53.34 1isc s ALA 15 Cb 0.20 -3.37 0.56 0.00 0.00 0.00 0.00 23.12 20.51 1isc s ALA 15 CO 0.31 -0.64 1.41 -0.35 0.00 0.00 0.00 175.76 176.49 1isc n PRO 16 N -0.58 1.65 -0.00 0.00 -0.04 -1.26 -4.87 135.00 129.89 1isc n PRO 16 Ca 0.08 -0.99 -0.17 0.00 -0.04 0.00 0.00 63.50 62.37 1isc n PRO 16 Cb 0.49 -1.31 -0.10 0.00 -0.04 0.00 0.00 33.50 32.53 1isc n PRO 16 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1isc h HIS 17 N 1.81 0.65 -3.29 0.54 3.86 -1.60 -3.41 115.15 113.71 1isc h HIS 17 Ca 0.00 -0.33 -0.51 0.00 -1.16 0.00 0.00 60.37 58.36 1isc h HIS 17 Cb 0.41 -0.08 -0.35 0.00 1.06 0.00 0.00 27.41 28.44 1isc h HIS 17 CO 0.14 1.14 -0.80 0.42 0.86 0.00 0.00 177.93 179.69 1isc s ILE 18 N -3.33 1.01 0.78 2.45 1.01 -0.64 -4.90 121.20 117.59 1isc s ILE 18 Ca -0.13 -0.34 -0.11 0.00 0.00 0.00 0.00 60.65 60.07 1isc s ILE 18 Cb 0.04 -0.99 0.06 0.00 0.01 0.00 0.00 42.46 41.58 1isc s ILE 18 CO 0.83 0.35 1.08 -0.94 0.00 0.00 0.00 174.94 176.26 1isc s SER 19 N 1.27 4.57 0.38 3.58 1.04 -1.26 -2.69 113.70 120.59 1isc s SER 19 Ca -0.03 1.53 0.08 0.00 0.48 0.00 0.00 55.95 58.00 1isc s SER 19 Cb -0.14 -2.29 0.76 0.00 0.10 0.00 0.00 66.02 64.45 1isc s SER 19 CO -0.03 -1.95 1.93 0.00 0.98 0.00 0.00 173.24 174.17 1isc h ALA 20 N -1.07 1.51 -0.50 5.32 0.00 -1.91 -1.98 119.26 120.63 1isc h ALA 20 Ca -0.46 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.19 1isc h ALA 20 Cb 1.25 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 1isc h ALA 20 CO 0.56 0.35 -0.02 1.49 0.00 0.00 0.00 179.25 181.64 1isc h GLU 21 N 0.33 0.89 -0.86 0.00 4.81 -1.93 -0.80 114.58 117.03 1isc h GLU 21 Ca 0.07 -0.29 -0.01 0.00 -0.13 0.00 0.00 59.36 59.00 1isc h GLU 21 Cb 0.30 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.56 1isc h GLU 21 CO 0.01 0.93 0.50 1.15 -0.73 0.00 0.00 179.01 180.87 1isc h THR 22 N 0.75 1.24 -0.42 0.32 2.02 -1.80 -2.46 112.91 112.57 1isc h THR 22 Ca 0.14 -0.56 -0.04 0.00 0.77 0.00 0.00 66.41 66.72 1isc h THR 22 Cb 0.54 0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 66.99 1isc h THR 22 CO 0.03 0.26 0.12 0.40 0.37 0.00 0.00 175.52 176.70 1isc h ILE 23 N 1.19 1.22 -0.64 3.11 1.08 -1.00 0.68 117.51 123.14 1isc h ILE 23 Ca 0.31 -0.75 -0.00 0.00 -0.39 0.00 0.00 64.86 64.03 1isc h ILE 23 Cb -0.02 0.92 -0.03 0.00 -3.07 0.00 0.00 36.82 34.62 1isc h ILE 23 CO -0.05 0.26 0.39 1.05 -0.69 0.00 0.00 178.15 179.11 1isc h GLU 24 N 0.53 0.87 0.05 2.37 4.11 -0.87 -0.01 114.58 121.62 1isc h GLU 24 Ca 0.13 -0.07 -0.08 0.00 0.07 0.00 0.00 59.36 59.41 1isc h GLU 24 Cb 0.28 -0.19 0.01 0.00 0.50 0.00 0.00 28.75 29.35 1isc h GLU 24 CO -0.00 0.60 -0.36 1.88 0.07 0.00 0.00 179.01 181.20 1isc h TYR 25 N 0.88 0.27 -0.19 2.06 0.05 -1.31 -2.14 116.97 116.60 1isc h TYR 25 Ca 0.23 -0.18 -0.09 0.00 0.05 0.00 0.00 58.73 58.74 1isc h TYR 25 Cb -0.04 -0.02 -0.00 0.00 1.01 0.00 0.00 36.73 37.68 1isc h TYR 25 CO 0.00 1.09 -0.24 1.25 -1.05 0.00 0.00 178.16 179.22 1isc h HIS 26 N -0.63 0.60 0.00 4.88 2.76 -0.73 0.34 115.15 122.37 1isc h HIS 26 Ca -0.06 -0.19 -0.02 0.00 -2.20 0.00 0.00 60.37 57.89 1isc h HIS 26 Cb 1.23 -0.12 -0.00 0.00 1.55 0.00 0.00 27.41 30.07 1isc h HIS 26 CO 0.22 0.88 -0.24 -0.92 -1.30 0.00 0.00 177.93 176.57 1isc h TYR 27 N 0.15 0.00 0.00 5.26 3.20 -1.18 -1.04 116.97 123.36 1isc h TYR 27 Ca 0.02 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.86 1isc h TYR 27 Cb 0.81 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.07 1isc h TYR 27 CO 0.09 0.36 -0.18 0.78 -1.64 0.00 0.00 178.16 177.57 1isc h GLY 28 N -1.00 0.00 0.00 1.82 0.00 -1.27 -2.69 103.07 99.93 1isc h GLY 28 Ca -0.04 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.25 1isc h GLY 28 CO -0.02 0.00 -0.79 0.28 0.00 0.00 0.00 176.54 176.01 1isc n LYS 29 N -3.50 0.11 -0.00 4.80 4.76 -0.45 -4.51 118.16 119.36 1isc n LYS 29 Ca -0.01 0.04 -0.13 0.00 -2.87 0.00 0.00 58.31 55.35 1isc n LYS 29 Cb 0.34 -0.68 -0.09 0.00 -1.84 0.00 0.00 35.03 32.75 1isc n LYS 29 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1isc h HIS 30 N -0.19 -0.01 -0.35 2.13 3.86 -0.99 -0.25 115.15 119.35 1isc h HIS 30 Ca -0.07 -0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.02 1isc h HIS 30 Cb 0.69 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.16 1isc h HIS 30 CO -0.05 0.39 -0.25 1.25 0.86 0.00 0.00 177.93 180.13 1isc h HIS 31 N -0.41 0.93 -0.70 2.45 -0.00 -1.16 -2.22 115.15 114.04 1isc h HIS 31 Ca -0.00 -0.26 0.09 0.00 -0.00 0.00 0.00 60.37 60.20 1isc h HIS 31 Cb 0.40 -0.21 -0.07 0.00 -0.00 0.00 0.00 27.41 27.54 1isc h HIS 31 CO 0.06 1.02 0.35 0.37 -0.00 0.00 0.00 177.93 179.73 1isc h GLN 32 N 0.58 0.59 -0.84 5.26 5.75 -1.49 -2.63 115.11 122.33 1isc h GLN 32 Ca 0.07 -0.04 -0.02 0.00 -0.15 0.00 0.00 58.65 58.51 1isc h GLN 32 Cb 0.82 -0.13 -0.04 0.00 1.07 0.00 0.00 27.48 29.20 1isc h GLN 32 CO 0.07 0.39 0.43 1.15 -2.65 0.00 0.00 178.83 178.22 1isc h THR 33 N 0.60 1.25 -0.55 2.39 2.02 -0.55 -1.30 112.91 116.77 1isc h THR 33 Ca 0.34 -0.67 -0.06 0.00 0.77 0.00 0.00 66.41 66.80 1isc h THR 33 Cb 0.35 0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 66.88 1isc h THR 33 CO -0.26 0.29 0.11 1.88 0.37 0.00 0.00 175.52 177.92 1isc h TYR 34 N 1.19 0.89 0.06 3.16 0.05 -1.06 0.34 116.97 121.61 1isc h TYR 34 Ca 0.29 -0.09 -0.00 0.00 0.05 0.00 0.00 58.73 58.98 1isc h TYR 34 Cb 0.07 -0.26 0.00 0.00 1.01 0.00 0.00 36.73 37.56 1isc h TYR 34 CO 0.01 0.76 -0.03 0.28 -1.05 0.00 0.00 178.16 178.13 1isc h VAL 35 N 0.82 1.12 -0.78 -2.88 2.07 -1.19 -0.67 116.25 114.75 1isc h VAL 35 Ca 0.18 -0.64 0.02 0.00 0.82 0.00 0.00 66.70 67.08 1isc h VAL 35 Cb 0.33 1.55 -0.05 0.00 -1.52 0.00 0.00 31.29 31.60 1isc h VAL 35 CO 0.00 0.16 0.50 0.74 0.02 0.00 0.00 177.57 179.00 1isc h THR 36 N -0.37 1.14 -0.25 2.57 2.02 -1.04 -1.17 112.91 115.81 1isc h THR 36 Ca -0.01 -0.34 -0.13 0.00 0.77 0.00 0.00 66.41 66.70 1isc h THR 36 Cb 0.33 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.78 1isc h THR 36 CO 0.01 0.18 -0.39 0.78 0.37 0.00 0.00 175.52 176.48 1isc h ASN 37 N 1.00 0.61 -0.13 4.18 -0.26 -0.80 -1.41 115.58 118.77 1isc h ASN 37 Ca 0.31 -0.26 -0.00 0.00 -0.56 0.00 0.00 56.30 55.78 1isc h ASN 37 Cb -0.03 -0.17 -0.01 0.00 -1.06 0.00 0.00 38.32 37.06 1isc h ASN 37 CO -0.10 0.93 0.07 0.25 -1.06 0.00 0.00 177.43 177.52 1isc h LEU 38 N 0.48 0.17 -0.91 1.61 5.85 -0.72 -0.29 115.31 121.49 1isc h LEU 38 Ca 0.04 -0.10 0.03 0.00 0.84 0.00 0.00 57.88 58.70 1isc h LEU 38 Cb 0.89 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.82 1isc h LEU 38 CO 0.08 0.22 0.59 0.78 -0.34 0.00 0.00 178.44 179.76 1isc h ASN 39 N 0.10 0.99 -0.06 1.25 -0.26 -0.89 -1.11 115.58 115.60 1isc h ASN 39 Ca 0.05 -0.01 -0.18 0.00 -0.56 0.00 0.00 56.30 55.60 1isc h ASN 39 Cb 0.09 -0.23 -0.00 0.00 -1.06 0.00 0.00 38.32 37.12 1isc h ASN 39 CO -0.01 0.69 -0.58 0.78 -1.06 0.00 0.00 177.43 177.25 1isc h ASN 40 N 1.16 0.74 0.33 5.81 -0.26 -1.00 -2.73 115.58 119.63 1isc h ASN 40 Ca 0.36 -0.41 -0.14 0.00 -0.56 0.00 0.00 56.30 55.55 1isc h ASN 40 Cb -0.03 -0.21 -0.01 0.00 -1.06 0.00 0.00 38.32 37.01 1isc h ASN 40 CO -0.11 1.16 -0.56 -0.07 -1.06 0.00 0.00 177.43 176.80 1isc h LEU 41 N 0.50 0.26 -0.27 1.61 3.38 -0.61 -3.27 115.31 116.92 1isc h LEU 41 Ca 0.00 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1isc h LEU 41 Cb 1.16 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1isc h LEU 41 CO 0.12 0.77 -0.53 2.30 0.09 0.00 0.00 178.44 181.19 1isc n ILE 42 N -3.91 0.00 -1.68 1.22 -5.35 -0.46 -4.88 119.36 104.31 1isc n ILE 42 Ca -0.02 -0.07 -0.47 0.00 -0.27 0.00 0.00 62.75 61.92 1isc n ILE 42 Cb 0.58 0.57 -0.04 0.00 -1.74 0.00 0.00 39.64 39.01 1isc n ILE 42 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 1isc n LYS 43 N -1.07 2.26 -0.88 6.28 3.00 -1.04 -1.01 118.16 125.71 1isc n LYS 43 Ca 0.08 0.83 0.00 0.00 -0.00 0.00 0.00 58.31 59.21 1isc n LYS 43 Cb 0.35 -2.67 0.00 0.00 0.00 0.00 0.00 35.03 32.71 1isc n LYS 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1isc n GLY 44 N 4.23 0.66 3.92 3.14 0.00 -1.26 -5.04 105.19 110.84 1isc n GLY 44 Ca 0.21 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.01 1isc n GLY 44 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1isc s THR 45 N -2.46 2.32 0.49 2.61 -4.23 -0.18 -5.00 115.64 109.19 1isc s THR 45 Ca 0.00 -1.30 0.33 0.00 -1.18 0.00 0.00 61.69 59.54 1isc s THR 45 Cb 0.00 -2.63 0.36 0.00 1.34 0.00 0.00 72.50 71.57 1isc s THR 45 CO 0.00 0.00 2.18 0.00 -0.54 0.00 0.00 174.62 176.26 1isc h ALA 46 N 0.79 1.24 0.00 3.99 0.00 -1.96 -2.53 119.26 120.78 1isc h ALA 46 Ca -0.38 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1isc h ALA 46 Cb 1.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1isc h ALA 46 CO 0.54 0.06 0.00 0.74 0.00 0.00 0.00 179.25 180.59 1isc h PHE 47 N 0.00 0.00 0.00 0.00 0.04 -1.95 -2.60 116.94 112.43 1isc h PHE 47 Ca -0.00 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 1isc h PHE 47 Cb 0.19 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.34 1isc h PHE 47 CO 0.00 0.00 -0.10 1.49 -0.60 0.00 0.00 178.31 179.10 1isc h GLU 48 N 0.00 0.00 -0.70 1.51 4.81 -1.61 -2.96 114.58 115.62 1isc h GLU 48 Ca 0.00 0.00 -0.25 0.00 -0.13 0.00 0.00 59.36 58.98 1isc h GLU 48 Cb 0.26 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 29.49 1isc h GLU 48 CO 0.00 0.10 0.28 0.41 -0.73 0.00 0.00 179.01 179.06 1isc n GLY 49 N -0.27 3.99 3.51 1.92 0.00 -0.98 -4.77 105.19 108.59 1isc n GLY 49 Ca -0.01 -1.05 -0.24 0.00 0.00 0.00 0.00 46.02 44.73 1isc n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1isc s LYS 50 N -3.07 1.82 0.78 1.61 1.02 -1.12 -5.13 119.74 115.64 1isc s LYS 50 Ca 0.53 -1.71 -0.11 0.00 0.02 0.00 0.00 55.97 54.70 1isc s LYS 50 Cb 0.44 -1.85 0.06 0.00 -0.52 0.00 0.00 37.83 35.95 1isc s LYS 50 CO 0.11 0.33 1.09 -1.54 -0.92 0.00 0.00 175.35 174.42 1isc s SER 51 N -3.55 4.68 0.27 2.83 1.04 -1.26 -4.86 113.70 112.84 1isc s SER 51 Ca 0.30 1.33 -0.04 0.00 0.48 0.00 0.00 55.95 58.03 1isc s SER 51 Cb -0.05 -2.09 0.36 0.00 0.10 0.00 0.00 66.02 64.34 1isc s SER 51 CO 0.16 -1.85 1.91 0.25 0.98 0.00 0.00 173.24 174.70 1isc h LEU 52 N -1.01 1.08 -0.46 2.42 5.85 -1.99 -1.55 115.31 119.64 1isc h LEU 52 Ca -0.46 -0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.14 1isc h LEU 52 Cb 1.26 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 42.03 1isc h LEU 52 CO 0.59 0.74 -0.13 -0.33 -0.34 0.00 0.00 178.44 178.97 1isc h GLU 53 N 1.25 0.91 -0.16 1.25 3.07 -1.97 -0.86 114.58 118.08 1isc h GLU 53 Ca 0.39 -0.36 -0.07 0.00 -0.50 0.00 0.00 59.36 58.82 1isc h GLU 53 Cb -0.00 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 27.85 1isc h GLU 53 CO -0.12 1.01 -0.23 0.93 -1.40 0.00 0.00 179.01 179.20 1isc h GLU 54 N 0.75 0.28 -0.06 2.33 5.08 -1.76 -1.69 114.58 119.52 1isc h GLU 54 Ca 0.11 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1isc h GLU 54 Cb 0.69 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.91 1isc h GLU 54 CO 0.05 0.50 0.02 0.82 -1.00 0.00 0.00 179.01 179.40 1isc h ILE 55 N 0.26 1.17 -0.81 3.13 2.04 -0.75 -2.62 117.51 119.93 1isc h ILE 55 Ca 0.04 -0.50 0.07 0.00 1.00 0.00 0.00 64.86 65.46 1isc h ILE 55 Cb 0.55 1.39 -0.05 0.00 -0.74 0.00 0.00 36.82 37.98 1isc h ILE 55 CO 0.04 0.14 0.53 0.40 0.00 0.00 0.00 178.15 179.26 1isc h ILE 56 N -0.09 1.04 0.00 -0.67 2.04 -0.72 -2.07 117.51 117.03 1isc h ILE 56 Ca 0.02 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.58 1isc h ILE 56 Cb 0.21 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.37 1isc h ILE 56 CO -0.00 0.16 -0.02 0.54 0.00 0.00 0.00 178.15 178.83 1isc n ARG 57 N -4.48 0.24 -0.05 2.37 1.74 -0.68 -3.99 116.66 111.80 1isc n ARG 57 Ca 0.12 0.19 0.04 0.00 -0.77 0.00 0.00 57.85 57.43 1isc n ARG 57 Cb 0.22 -1.77 0.05 0.00 -1.02 0.00 0.00 32.46 29.94 1isc n ARG 57 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1isc n SER 58 N -2.19 1.90 -4.58 0.55 3.41 -0.82 -5.07 113.62 106.82 1isc n SER 58 Ca 0.06 -2.35 -0.29 0.00 -0.26 0.00 0.00 58.87 56.02 1isc n SER 58 Cb 0.42 -0.18 -0.09 0.00 -0.26 0.00 0.00 64.21 64.11 1isc n SER 58 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1isc s SER 59 N -1.65 3.65 0.27 4.04 1.04 -0.97 -5.05 113.70 115.04 1isc s SER 59 Ca 0.12 -1.55 -0.04 0.00 0.48 0.00 0.00 55.95 54.96 1isc s SER 59 Cb 0.11 0.21 -0.01 0.00 0.10 0.00 0.00 66.02 66.42 1isc s SER 59 CO 0.01 -0.73 0.36 -1.83 0.98 0.00 0.00 173.24 172.03 1isc s GLU 60 N -3.81 1.59 6.69 4.02 -1.05 -1.26 -4.74 118.70 120.14 1isc s GLU 60 Ca 0.20 -1.60 0.00 0.00 -0.15 0.00 0.00 54.97 53.42 1isc s GLU 60 Cb 0.05 0.39 0.00 0.00 -0.44 0.00 0.00 34.13 34.13 1isc s GLU 60 CO 0.10 -0.62 0.00 0.41 0.95 0.00 0.00 175.26 176.10 1isc n GLY 61 N -0.43 3.03 0.25 -3.83 0.00 -1.26 -2.73 105.19 100.22 1isc n GLY 61 Ca 0.01 -0.30 -0.10 0.00 0.00 0.00 0.00 46.02 45.63 1isc n GLY 61 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1isc h GLY 62 N 0.00 0.84 0.95 -0.02 0.00 -1.99 -0.98 103.07 101.86 1isc h GLY 62 Ca 0.00 -0.85 -0.02 0.00 0.00 0.00 0.00 47.33 46.46 1isc h GLY 62 CO 0.00 0.77 0.18 -2.08 0.00 0.00 0.00 176.54 175.41 1isc h VAL 63 N 0.63 1.17 0.21 4.60 2.07 -1.96 -2.33 116.25 120.65 1isc h VAL 63 Ca 0.05 -0.50 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 1isc h VAL 63 Cb 0.95 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 1isc h VAL 63 CO 0.09 0.18 -0.10 0.15 0.02 0.00 0.00 177.57 177.91 1isc h PHE 64 N 0.47 -0.26 -0.78 1.57 3.57 -1.29 -1.68 116.94 118.54 1isc h PHE 64 Ca 0.13 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.71 1isc h PHE 64 Cb 0.13 0.09 -0.07 0.00 2.79 0.00 0.00 35.95 38.89 1isc h PHE 64 CO -0.01 -0.12 0.43 -0.91 -2.23 0.00 0.00 178.31 175.47 1isc h ASN 65 N -0.34 0.62 0.07 0.41 2.35 -1.06 0.47 115.58 118.10 1isc h ASN 65 Ca -0.03 0.05 -0.22 0.00 -0.55 0.00 0.00 56.30 55.54 1isc h ASN 65 Cb 0.26 -0.07 0.02 0.00 0.05 0.00 0.00 38.32 38.58 1isc h ASN 65 CO 0.05 0.36 -0.92 0.78 -1.65 0.00 0.00 177.43 176.05 1isc h ASN 66 N 0.74 0.68 -0.38 5.81 4.21 -1.36 -2.53 115.58 122.76 1isc h ASN 66 Ca 0.37 -0.82 -0.03 0.00 1.21 0.00 0.00 56.30 57.03 1isc h ASN 66 Cb 0.33 -0.21 -0.02 0.00 -1.12 0.00 0.00 38.32 37.30 1isc h ASN 66 CO -0.24 1.43 0.13 0.00 -1.29 0.00 0.00 177.43 177.46 1isc h ALA 67 N 0.26 0.49 -0.62 -0.83 0.00 -0.98 -0.96 119.26 116.62 1isc h ALA 67 Ca -0.14 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.55 1isc h ALA 67 Cb 1.64 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 19.25 1isc h ALA 67 CO 0.18 0.12 0.13 0.00 0.00 0.00 0.00 179.25 179.68 1isc h ALA 68 N 0.97 1.06 0.00 0.00 0.00 -1.01 -2.24 119.26 118.04 1isc h ALA 68 Ca 0.12 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 1isc h ALA 68 Cb 0.24 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1isc h ALA 68 CO -0.01 0.62 -0.48 1.96 0.00 0.00 0.00 179.25 181.34 1isc h GLN 69 N 0.94 0.00 -0.11 0.00 1.08 -1.16 0.12 115.11 115.98 1isc h GLN 69 Ca 0.20 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.39 1isc h GLN 69 Cb 0.37 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.79 1isc h GLN 69 CO 0.00 0.48 0.03 0.28 -0.95 0.00 0.00 178.83 178.68 1isc h VAL 70 N 0.00 1.17 0.03 -0.54 2.07 -0.62 -2.23 116.25 116.13 1isc h VAL 70 Ca -0.00 -0.53 -0.00 0.00 0.82 0.00 0.00 66.70 66.99 1isc h VAL 70 Cb 0.90 1.33 0.00 0.00 -1.52 0.00 0.00 31.29 32.00 1isc h VAL 70 CO 0.06 0.15 -0.02 -0.25 0.02 0.00 0.00 177.57 177.54 1isc h TRP 71 N -0.01 -0.04 -0.91 1.57 7.01 -1.18 -2.13 115.95 120.25 1isc h TRP 71 Ca 0.03 -0.00 0.08 0.00 2.11 0.00 0.00 58.89 61.11 1isc h TRP 71 Cb 0.21 0.01 -0.07 0.00 -2.10 0.00 0.00 29.16 27.22 1isc h TRP 71 CO -0.00 0.23 0.57 -0.91 -2.79 0.00 0.00 178.44 175.53 1isc h ASN 72 N -0.31 0.87 0.67 2.65 2.35 -0.81 -1.22 115.58 119.79 1isc h ASN 72 Ca -0.00 0.03 -0.21 0.00 -0.55 0.00 0.00 56.30 55.56 1isc h ASN 72 Cb 0.29 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 1isc h ASN 72 CO 0.01 0.53 -0.96 0.45 -1.65 0.00 0.00 177.43 175.81 1isc h HIS 73 N 0.99 0.26 -0.73 1.19 3.86 -1.29 -1.22 115.15 118.22 1isc h HIS 73 Ca 0.41 -0.16 -0.06 0.00 -1.16 0.00 0.00 60.37 59.40 1isc h HIS 73 Cb 0.26 -0.02 -0.03 0.00 1.06 0.00 0.00 27.41 28.67 1isc h HIS 73 CO -0.03 1.02 0.22 1.15 0.86 0.00 0.00 177.93 181.16 1isc h THR 74 N 0.08 1.26 -0.31 2.45 2.02 -0.88 -1.44 112.91 116.10 1isc h THR 74 Ca -0.05 -0.93 -0.01 0.00 0.77 0.00 0.00 66.41 66.20 1isc h THR 74 Cb 1.63 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 68.49 1isc h THR 74 CO 0.14 0.36 0.16 0.15 0.37 0.00 0.00 175.52 176.71 1isc h PHE 75 N 1.09 0.43 -0.36 3.16 3.57 -1.21 -2.84 116.94 120.78 1isc h PHE 75 Ca 0.24 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.76 1isc h PHE 75 Cb 0.32 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 38.89 1isc h PHE 75 CO 0.03 0.35 0.15 -0.92 -2.23 0.00 0.00 178.31 175.69 1isc h TYR 76 N 0.37 0.28 -0.44 0.41 3.20 -0.77 -2.21 116.97 117.81 1isc h TYR 76 Ca 0.11 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.97 1isc h TYR 76 Cb 0.07 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.25 1isc h TYR 76 CO -0.03 0.13 0.17 -1.49 -1.64 0.00 0.00 178.16 175.31 1isc h TRP 77 N 0.32 0.62 0.00 -3.82 -0.00 -1.21 -1.92 115.95 109.94 1isc h TRP 77 Ca 0.16 -0.02 0.00 0.00 -0.00 0.00 0.00 58.89 59.03 1isc h TRP 77 Cb 0.10 -0.19 0.00 0.00 -0.00 0.00 0.00 29.16 29.07 1isc h TRP 77 CO -0.12 0.49 0.00 -0.91 -0.00 0.00 0.00 178.44 177.89 1isc h ASN 78 N 0.62 0.00 0.45 -3.49 -0.26 -1.17 -2.93 115.58 108.80 1isc h ASN 78 Ca 0.15 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.89 1isc h ASN 78 Cb 0.13 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.39 1isc h ASN 78 CO -0.01 0.00 0.00 0.00 -1.06 0.00 0.00 177.43 176.36 1isc s LEU 80 N -2.48 2.46 -0.01 0.00 1.43 -1.11 -0.57 118.68 118.41 1isc s LEU 80 Ca 0.30 -0.69 -0.29 0.00 -1.03 0.00 0.00 54.13 52.41 1isc s LEU 80 Cb 0.19 -1.33 0.08 0.00 0.03 0.00 0.00 46.19 45.16 1isc s LEU 80 CO 0.42 0.17 0.70 0.00 0.23 0.00 0.00 176.35 177.87 1isc s ALA 81 N -1.14 -1.75 0.55 4.21 0.00 -0.05 -4.69 121.76 118.88 1isc s ALA 81 Ca 0.16 1.16 -0.20 0.00 0.00 0.00 0.00 51.96 53.08 1isc s ALA 81 Cb -0.10 0.14 -0.05 0.00 0.00 0.00 0.00 23.12 23.11 1isc s ALA 81 CO 0.08 -0.46 1.19 -1.25 0.00 0.00 0.00 175.76 175.32 1isc s PRO 82 N -1.78 3.25 -1.40 0.00 0.04 -1.26 -4.03 135.00 129.83 1isc s PRO 82 Ca -0.07 1.80 -0.08 0.00 0.04 0.00 0.00 61.00 62.69 1isc s PRO 82 Cb -0.00 -2.08 0.04 0.00 0.04 0.00 0.00 34.50 32.49 1isc s PRO 82 CO 0.04 -0.97 0.96 0.09 0.04 0.00 0.00 177.00 177.15 1isc n ASN 83 N -1.23 -3.90 0.00 6.66 4.13 -1.26 -4.94 115.26 114.72 1isc n ASN 83 Ca 0.11 -0.72 0.00 0.00 1.68 0.00 0.00 54.58 55.66 1isc n ASN 83 Cb 0.49 -4.34 0.00 0.00 -1.54 0.00 0.00 39.78 34.40 1isc n ASN 83 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1isc n ALA 84 N -4.59 0.00 -0.43 5.41 0.00 -1.26 -5.11 120.51 114.53 1isc n ALA 84 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1isc n ALA 84 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 1isc n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1isc n GLY 85 N 1.48 -0.08 7.00 0.00 0.00 -0.30 -4.75 105.19 108.54 1isc n GLY 85 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.03 1isc n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1isc n GLY 86 N 0.00 -1.29 3.82 -0.02 0.00 -1.24 -4.80 105.19 101.65 1isc n GLY 86 Ca 0.00 -1.16 -0.35 0.00 0.00 0.00 0.00 46.02 44.51 1isc n GLY 86 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1isc s GLU 87 N 0.00 4.25 0.75 1.61 2.02 -1.26 -5.00 118.70 121.07 1isc s GLU 87 Ca 0.00 0.93 -0.12 0.00 0.02 0.00 0.00 54.97 55.80 1isc s GLU 87 Cb 0.00 -2.68 0.04 0.00 0.10 0.00 0.00 34.13 31.60 1isc s GLU 87 CO 0.00 0.27 1.14 -1.25 0.02 0.00 0.00 175.26 175.43 1isc s PRO 88 N -2.37 2.44 0.36 0.39 0.04 -1.26 -5.10 135.00 129.51 1isc s PRO 88 Ca 0.49 0.30 0.04 0.00 0.04 0.00 0.00 61.00 61.88 1isc s PRO 88 Cb -0.15 -1.99 -0.03 0.00 0.04 0.00 0.00 34.50 32.38 1isc s PRO 88 CO 0.20 -1.30 0.17 0.95 0.04 0.00 0.00 177.00 177.06 1isc s THR 89 N -3.46 0.40 0.00 1.26 -4.23 -1.26 -4.58 115.64 103.76 1isc s THR 89 Ca 0.60 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.11 1isc s THR 89 Cb -0.11 -2.43 0.00 0.00 1.34 0.00 0.00 72.50 71.30 1isc s THR 89 CO 0.51 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.20 1isc n GLY 90 N -0.76 0.58 0.27 3.99 0.00 -1.26 -3.14 105.19 104.88 1isc n GLY 90 Ca -0.01 -0.80 0.04 0.00 0.00 0.00 0.00 46.02 45.25 1isc n GLY 90 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1isc h LYS 91 N 0.00 0.35 -0.04 1.61 3.64 -1.99 -2.42 116.57 117.71 1isc h LYS 91 Ca 0.00 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1isc h LYS 91 Cb 0.00 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 31.75 1isc h LYS 91 CO 0.00 0.32 0.02 0.28 -2.27 0.00 0.00 179.45 177.80 1isc h VAL 92 N 0.35 1.15 -0.42 2.00 2.07 -1.95 -0.18 116.25 119.26 1isc h VAL 92 Ca 0.09 -0.44 -0.02 0.00 0.82 0.00 0.00 66.70 67.15 1isc h VAL 92 Cb 0.13 1.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 1isc h VAL 92 CO -0.00 0.12 0.17 0.00 0.02 0.00 0.00 177.57 177.87 1isc h ALA 93 N 0.84 1.52 -0.37 1.67 0.00 -1.39 -0.58 119.26 120.95 1isc h ALA 93 Ca 0.01 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.68 1isc h ALA 93 Cb 0.18 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1isc h ALA 93 CO -0.00 0.38 -0.29 0.93 0.00 0.00 0.00 179.25 180.26 1isc h GLU 94 N 0.59 0.85 -0.66 0.00 5.08 -1.19 -0.49 114.58 118.76 1isc h GLU 94 Ca 0.14 -0.42 -0.07 0.00 -1.00 0.00 0.00 59.36 58.01 1isc h GLU 94 Cb 0.12 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 1isc h GLU 94 CO -0.02 1.06 0.12 0.00 -1.00 0.00 0.00 179.01 179.18 1isc h ALA 95 N 0.77 0.96 -0.17 3.43 0.00 -0.39 0.10 119.26 123.96 1isc h ALA 95 Ca 0.07 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.63 1isc h ALA 95 Cb 0.87 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 1isc h ALA 95 CO 0.08 0.66 -0.24 0.82 0.00 0.00 0.00 179.25 180.56 1isc h ILE 96 N 1.01 1.34 -0.77 0.00 2.04 -1.00 -2.34 117.51 117.79 1isc h ILE 96 Ca 0.20 -1.45 -0.02 0.00 1.00 0.00 0.00 64.86 64.59 1isc h ILE 96 Cb 0.42 1.88 -0.04 0.00 -0.74 0.00 0.00 36.82 38.34 1isc h ILE 96 CO 0.01 0.44 0.39 0.00 0.00 0.00 0.00 178.15 178.99 1isc h ALA 97 N 0.60 1.23 -0.47 1.87 0.00 -0.89 -0.34 119.26 121.27 1isc h ALA 97 Ca 0.02 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 1isc h ALA 97 Cb 0.81 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1isc h ALA 97 CO 0.06 0.60 -0.01 0.00 0.00 0.00 0.00 179.25 179.89 1isc h ALA 98 N 1.34 0.63 0.00 0.00 0.00 -0.91 -0.03 119.26 120.29 1isc h ALA 98 Ca 0.27 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1isc h ALA 98 Cb 0.08 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1isc h ALA 98 CO -0.04 0.44 -1.03 0.77 0.00 0.00 0.00 179.25 179.40 1isc h SER 99 N 0.68 0.00 0.00 0.00 0.02 -1.20 -3.39 113.55 109.66 1isc h SER 99 Ca 0.13 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1isc h SER 99 Cb 0.52 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.06 1isc h SER 99 CO 0.03 0.14 0.00 0.49 -1.14 0.00 0.00 176.83 176.35 1isc n PHE 100 N -2.76 0.00 0.00 3.45 3.72 -0.16 -4.96 117.46 116.75 1isc n PHE 100 Ca -0.02 -0.14 0.00 0.00 -0.05 0.00 0.00 57.45 57.24 1isc n PHE 100 Cb 0.62 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.14 1isc n PHE 100 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1isc n GLY 101 N -0.14 2.19 3.77 1.37 0.00 -0.03 -4.50 105.19 107.86 1isc n GLY 101 Ca 0.00 -0.37 -0.08 0.00 0.00 0.00 0.00 46.02 45.57 1isc n GLY 101 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1isc s SER 102 N 0.00 -0.15 0.14 1.61 1.04 -1.26 -4.72 113.70 110.37 1isc s SER 102 Ca 0.00 -0.78 -0.12 0.00 0.48 0.00 0.00 55.95 55.52 1isc s SER 102 Cb 0.00 0.71 0.00 0.00 0.10 0.00 0.00 66.02 66.83 1isc s SER 102 CO 0.00 -1.34 1.57 0.15 0.98 0.00 0.00 173.24 174.60 1isc h PHE 103 N 2.07 0.96 -0.69 5.02 3.57 -1.90 -1.88 116.94 124.08 1isc h PHE 103 Ca -0.23 -0.19 0.04 0.00 3.53 0.00 0.00 57.97 61.12 1isc h PHE 103 Cb 1.25 -0.24 -0.04 0.00 2.79 0.00 0.00 35.95 39.71 1isc h PHE 103 CO 0.57 0.93 0.45 0.00 -2.23 0.00 0.00 178.31 178.03 1isc h ALA 104 N 0.89 1.63 -0.17 2.41 0.00 -1.96 0.31 119.26 122.38 1isc h ALA 104 Ca 0.12 -0.03 -0.22 0.00 0.00 0.00 0.00 54.91 54.78 1isc h ALA 104 Cb 0.59 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.17 1isc h ALA 104 CO 0.04 0.29 -0.75 -0.44 0.00 0.00 0.00 179.25 178.39 1isc h ASP 105 N 0.81 0.93 -0.15 0.00 3.32 -1.79 -2.49 116.42 117.04 1isc h ASP 105 Ca 0.28 -0.60 0.00 0.00 0.02 0.00 0.00 57.03 56.73 1isc h ASP 105 Cb 0.10 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 1isc h ASP 105 CO -0.08 1.39 0.10 0.15 -1.72 0.00 0.00 179.24 179.08 1isc h PHE 106 N 0.55 0.19 -0.37 4.55 3.57 -0.86 -1.32 116.94 123.25 1isc h PHE 106 Ca -0.04 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.47 1isc h PHE 106 Cb 1.37 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 40.03 1isc h PHE 106 CO 0.08 0.13 0.22 -0.22 -2.23 0.00 0.00 178.31 176.30 1isc h LYS 107 N 0.20 0.44 -0.25 1.11 3.64 -0.95 -0.12 116.57 120.64 1isc h LYS 107 Ca 0.06 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.42 1isc h LYS 107 Cb -0.01 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 1isc h LYS 107 CO -0.01 0.29 0.15 0.00 -2.27 0.00 0.00 179.45 177.61 1isc h ALA 108 N 1.15 0.32 -0.54 5.00 0.00 -1.39 -0.88 119.26 122.93 1isc h ALA 108 Ca 0.14 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 1isc h ALA 108 Cb -0.02 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1isc h ALA 108 CO -0.05 -0.23 -0.02 1.96 0.00 0.00 0.00 179.25 180.91 1isc h GLN 109 N 0.32 0.96 -0.20 0.00 4.20 -0.71 -1.88 115.11 117.79 1isc h GLN 109 Ca 0.10 -0.32 -0.01 0.00 0.06 0.00 0.00 58.65 58.48 1isc h GLN 109 Cb -0.01 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 1isc h GLN 109 CO -0.04 0.98 0.07 0.35 -0.67 0.00 0.00 178.83 179.52 1isc h PHE 110 N 0.83 0.31 -0.50 2.96 3.04 -0.93 -1.69 116.94 120.96 1isc h PHE 110 Ca 0.15 -0.03 0.03 0.00 3.98 0.00 0.00 57.97 62.11 1isc h PHE 110 Cb 0.56 -0.09 -0.04 0.00 2.56 0.00 0.00 35.95 38.94 1isc h PHE 110 CO 0.04 0.37 0.28 1.15 -2.02 0.00 0.00 178.31 178.13 1isc h THR 111 N 0.16 1.01 -0.42 4.41 2.02 -1.06 -0.83 112.91 118.20 1isc h THR 111 Ca 0.07 -0.19 -0.02 0.00 0.77 0.00 0.00 66.41 67.04 1isc h THR 111 Cb 0.19 0.41 -0.02 0.00 -1.74 0.00 0.00 68.15 66.99 1isc h THR 111 CO -0.00 0.10 0.20 -0.78 0.37 0.00 0.00 175.52 175.40 1isc h ASP 112 N 0.55 0.55 -0.62 4.18 3.58 -1.28 -0.50 116.42 122.87 1isc h ASP 112 Ca 0.21 -0.13 -0.04 0.00 0.42 0.00 0.00 57.03 57.49 1isc h ASP 112 Cb 0.07 -0.14 -0.03 0.00 1.72 0.00 0.00 39.33 40.95 1isc h ASP 112 CO -0.12 0.53 0.23 0.00 -2.88 0.00 0.00 179.24 176.99 1isc h ALA 113 N 1.04 1.18 -0.41 -0.78 0.00 -0.98 -1.65 119.26 117.66 1isc h ALA 113 Ca 0.14 -0.19 -0.15 0.00 0.00 0.00 0.00 54.91 54.72 1isc h ALA 113 Cb 0.13 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1isc h ALA 113 CO -0.02 0.58 -0.32 0.00 0.00 0.00 0.00 179.25 179.50 1isc h ALA 114 N 1.31 0.59 -0.43 0.00 0.00 -0.70 -2.39 119.26 117.65 1isc h ALA 114 Ca 0.22 -0.43 -0.11 0.00 0.00 0.00 0.00 54.91 54.59 1isc h ALA 114 Cb 0.23 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1isc h ALA 114 CO -0.01 0.65 -0.16 0.82 0.00 0.00 0.00 179.25 180.55 1isc h ILE 115 N 0.77 1.26 -0.00 0.00 2.04 -0.96 -3.12 117.51 117.51 1isc h ILE 115 Ca 0.08 -1.25 0.00 0.00 1.00 0.00 0.00 64.86 64.69 1isc h ILE 115 Cb 0.90 1.10 0.00 0.00 -0.74 0.00 0.00 36.82 38.08 1isc h ILE 115 CO 0.08 0.43 -0.12 0.29 0.00 0.00 0.00 178.15 178.83 1isc n LYS 116 N -4.14 0.73 -2.06 2.37 5.02 -0.64 -4.79 118.16 114.65 1isc n LYS 116 Ca 0.01 -0.27 -0.41 0.00 -2.02 0.00 0.00 58.31 55.62 1isc n LYS 116 Cb 0.40 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.89 1isc n LYS 116 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1isc s ASN 117 N -2.46 5.62 0.03 4.39 2.47 -0.91 -4.93 114.94 119.15 1isc s ASN 117 Ca 0.29 0.73 -0.30 0.00 0.42 0.00 0.00 52.86 54.00 1isc s ASN 117 Cb 0.20 -2.53 -0.06 0.00 -1.45 0.00 0.00 41.25 37.41 1isc s ASN 117 CO 0.47 -2.03 1.29 0.12 -3.72 0.00 0.00 177.10 173.24 1isc s PHE 118 N 7.87 3.18 0.00 0.43 5.36 -1.26 -4.78 117.98 128.78 1isc s PHE 118 Ca 0.71 1.08 0.00 0.00 -0.96 0.00 0.00 56.93 57.76 1isc s PHE 118 Cb -0.16 -3.54 0.00 0.00 -0.34 0.00 0.00 43.02 38.98 1isc s PHE 118 CO 0.27 -1.83 0.00 0.41 -1.46 0.00 0.00 175.22 172.61 1isc n GLY 119 N 3.42 -0.35 3.84 13.12 0.00 -1.26 -4.85 105.19 119.11 1isc n GLY 119 Ca 0.11 -1.35 -0.35 0.00 0.00 0.00 0.00 46.02 44.42 1isc n GLY 119 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1isc s SER 120 N -4.00 6.87 0.00 1.61 0.01 -1.26 -4.72 113.70 112.22 1isc s SER 120 Ca 0.00 1.17 0.00 0.00 1.31 0.00 0.00 55.95 58.43 1isc s SER 120 Cb 0.00 -2.32 0.00 0.00 0.21 0.00 0.00 66.02 63.91 1isc s SER 120 CO 0.00 0.06 0.00 0.61 0.41 0.00 0.00 173.24 174.32 1isc n GLY 121 N 0.68 -0.64 3.08 3.44 0.00 -1.26 -0.60 105.19 109.89 1isc n GLY 121 Ca -0.04 -0.85 -0.12 0.00 0.00 0.00 0.00 46.02 45.01 1isc n GLY 121 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1isc s TRP 122 N -3.00 -0.07 -0.04 1.61 0.52 -0.82 -0.85 118.94 116.29 1isc s TRP 122 Ca 0.00 0.16 0.06 0.00 0.02 0.00 0.00 56.10 56.34 1isc s TRP 122 Cb 0.00 0.01 -0.01 0.00 -1.15 0.00 0.00 33.47 32.32 1isc s TRP 122 CO 0.00 -0.19 -0.24 0.99 0.02 0.00 0.00 176.95 177.53 1isc s THR 123 N -0.66 1.96 0.02 2.01 2.01 -0.92 -0.76 115.64 119.31 1isc s THR 123 Ca -0.08 -1.03 0.06 0.00 0.31 0.00 0.00 61.69 60.95 1isc s THR 123 Cb -0.04 -1.65 -0.02 0.00 0.01 0.00 0.00 72.50 70.79 1isc s THR 123 CO 0.01 0.55 -0.18 0.26 -0.69 0.00 0.00 174.62 174.57 1isc s TRP 124 N -0.29 1.57 -0.23 4.92 0.52 0.26 -1.38 118.94 124.30 1isc s TRP 124 Ca 0.01 -0.34 -0.12 0.00 0.02 0.00 0.00 56.10 55.67 1isc s TRP 124 Cb -0.12 -0.96 -0.05 0.00 -1.15 0.00 0.00 33.47 31.19 1isc s TRP 124 CO 0.02 0.04 0.21 -1.17 0.02 0.00 0.00 176.95 176.07 1isc s LEU 125 N -0.90 4.12 0.22 2.99 2.96 -0.31 -1.69 118.68 126.09 1isc s LEU 125 Ca 0.06 0.20 0.07 0.00 -0.22 0.00 0.00 54.13 54.23 1isc s LEU 125 Cb -0.08 -2.19 -0.05 0.00 0.50 0.00 0.00 46.19 44.37 1isc s LEU 125 CO 0.01 0.03 -0.10 0.68 -1.32 0.00 0.00 176.35 175.65 1isc s VAL 126 N 1.11 1.59 -0.24 1.68 -7.23 -0.20 -0.60 120.40 116.52 1isc s VAL 126 Ca 0.10 -2.16 -0.05 0.00 -1.81 0.00 0.00 61.98 58.06 1isc s VAL 126 Cb -0.14 -2.17 -0.01 0.00 0.56 0.00 0.00 36.38 34.63 1isc s VAL 126 CO 0.05 -0.50 0.01 -0.75 -0.31 0.00 0.00 175.10 173.60 1isc s LYS 127 N -3.70 3.39 0.90 4.82 2.20 -0.05 -1.47 119.74 125.83 1isc s LYS 127 Ca 0.24 -0.63 -0.12 0.00 -0.36 0.00 0.00 55.97 55.10 1isc s LYS 127 Cb 0.01 -3.17 0.13 0.00 -1.51 0.00 0.00 37.83 33.30 1isc s LYS 127 CO 0.08 -0.25 1.10 -0.80 -0.36 0.00 0.00 175.35 175.12 1isc s ASN 128 N 1.52 3.52 0.53 1.43 0.01 -0.51 -0.61 114.94 120.83 1isc s ASN 128 Ca 0.05 1.26 0.24 0.00 -0.71 0.00 0.00 52.86 53.71 1isc s ASN 128 Cb -0.15 -1.93 1.45 0.00 0.41 0.00 0.00 41.25 41.03 1isc s ASN 128 CO -0.00 -2.58 2.12 0.77 -1.51 0.00 0.00 177.10 175.90 1isc h SER 129 N -1.51 0.00 0.03 -1.22 4.64 -1.89 -1.22 113.55 112.37 1isc h SER 129 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1isc h SER 129 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1isc h SER 129 CO 0.58 0.08 0.00 -0.90 -0.87 0.00 0.00 176.83 175.72 1isc n ASP 130 N -3.95 0.00 0.00 4.97 5.68 -1.26 -4.92 116.55 117.07 1isc n ASP 130 Ca -0.02 -0.79 0.00 0.00 -0.50 0.00 0.00 54.79 53.47 1isc n ASP 130 Cb 0.17 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.14 1isc n ASP 130 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1isc n GLY 131 N 0.68 1.60 3.82 6.12 0.00 -0.46 -5.04 105.19 111.90 1isc n GLY 131 Ca 0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 1isc n GLY 131 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1isc s LYS 132 N -0.63 4.25 0.29 1.61 -0.14 -1.26 -4.81 119.74 119.06 1isc s LYS 132 Ca 0.00 1.05 -0.05 0.00 -1.36 0.00 0.00 55.97 55.61 1isc s LYS 132 Cb 0.00 -2.38 -0.05 0.00 -1.68 0.00 0.00 37.83 33.72 1isc s LYS 132 CO 0.00 0.08 0.57 -0.51 -0.76 0.00 0.00 175.35 174.73 1isc s LEU 133 N -2.87 4.05 0.10 3.17 1.43 -1.26 -1.42 118.68 121.87 1isc s LEU 133 Ca 0.57 0.74 -0.17 0.00 -1.03 0.00 0.00 54.13 54.25 1isc s LEU 133 Cb -0.11 -3.56 0.04 0.00 0.03 0.00 0.00 46.19 42.58 1isc s LEU 133 CO 0.16 -0.20 0.40 0.00 0.23 0.00 0.00 176.35 176.94 1isc s ALA 134 N -2.09 -0.95 -0.21 4.21 0.00 -0.54 -4.92 121.76 117.24 1isc s ALA 134 Ca 0.44 0.05 -0.07 0.00 0.00 0.00 0.00 51.96 52.39 1isc s ALA 134 Cb -0.11 0.60 -0.03 0.00 0.00 0.00 0.00 23.12 23.58 1isc s ALA 134 CO 0.30 -0.59 0.06 0.42 0.00 0.00 0.00 175.76 175.94 1isc s ILE 135 N -3.44 4.46 0.05 0.00 1.01 -1.26 -1.03 121.20 120.99 1isc s ILE 135 Ca 0.01 -0.14 0.05 0.00 0.00 0.00 0.00 60.65 60.57 1isc s ILE 135 Cb 0.01 -3.04 -0.02 0.00 0.01 0.00 0.00 42.46 39.42 1isc s ILE 135 CO -0.09 0.40 -0.15 0.68 0.00 0.00 0.00 174.94 175.78 1isc s VAL 136 N 0.99 1.21 -0.00 2.92 -7.23 -0.68 -4.98 120.40 112.62 1isc s VAL 136 Ca 0.04 -1.09 0.04 0.00 -1.81 0.00 0.00 61.98 59.16 1isc s VAL 136 Cb -0.14 -1.10 -0.03 0.00 0.56 0.00 0.00 36.38 35.67 1isc s VAL 136 CO 0.03 0.00 -0.11 -0.44 -0.31 0.00 0.00 175.10 174.27 1isc s SER 137 N -1.25 4.30 0.24 4.85 0.01 -1.26 -0.58 113.70 120.01 1isc s SER 137 Ca 0.02 -0.21 0.11 0.00 1.31 0.00 0.00 55.95 57.18 1isc s SER 137 Cb -0.08 -0.92 -0.05 0.00 0.21 0.00 0.00 66.02 65.18 1isc s SER 137 CO 0.02 0.30 -0.20 0.42 0.41 0.00 0.00 173.24 174.18 1isc s THR 138 N -0.91 2.28 -0.05 1.44 -4.23 0.06 -5.00 115.64 109.23 1isc s THR 138 Ca 0.15 -2.25 -0.03 0.00 -1.18 0.00 0.00 61.69 58.38 1isc s THR 138 Cb -0.11 -2.18 -0.04 0.00 1.34 0.00 0.00 72.50 71.51 1isc s THR 138 CO 0.05 -0.36 0.11 -0.55 -0.54 0.00 0.00 174.62 173.33 1isc s SER 139 N -3.22 5.98 1.34 3.99 0.15 -1.26 -1.94 113.70 118.75 1isc s SER 139 Ca 0.25 0.29 0.00 0.00 0.70 0.00 0.00 55.95 57.20 1isc s SER 139 Cb -0.05 -1.82 0.00 0.00 -1.71 0.00 0.00 66.02 62.44 1isc s SER 139 CO 0.12 0.33 0.00 0.59 1.20 0.00 0.00 173.24 175.48 1isc n ASN 140 N 1.52 0.00 -1.17 5.45 5.03 0.23 -0.98 115.26 125.35 1isc n ASN 140 Ca -0.16 0.00 0.12 0.00 0.87 0.00 0.00 54.58 55.41 1isc n ASN 140 Cb 0.54 0.00 0.23 0.00 -1.02 0.00 0.00 39.78 39.52 1isc n ASN 140 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1isc n ALA 141 N 9.14 2.40 -1.61 5.41 0.00 -1.26 -4.40 120.51 130.19 1isc n ALA 141 Ca 0.00 -1.05 -0.43 0.00 0.00 0.00 0.00 53.44 51.96 1isc n ALA 141 Cb 0.00 -0.86 -0.00 0.00 0.00 0.00 0.00 19.45 18.59 1isc n ALA 141 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1isc n GLY 142 N 1.49 -0.18 3.06 0.00 0.00 -0.15 -4.63 105.19 104.78 1isc n GLY 142 Ca 0.20 0.23 -0.12 0.00 0.00 0.00 0.00 46.02 46.33 1isc n GLY 142 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1isc s THR 143 N -1.17 0.02 0.64 2.61 -1.32 -1.26 -4.73 115.64 110.43 1isc s THR 143 Ca 0.60 -0.16 0.30 0.00 -1.21 0.00 0.00 61.69 61.23 1isc s THR 143 Cb -0.62 -0.29 0.33 0.00 -1.51 0.00 0.00 72.50 70.42 1isc s THR 143 CO 0.59 -0.09 1.95 -0.65 -2.21 0.00 0.00 174.62 174.22 1isc h PRO 144 N 5.51 0.00 -0.06 7.08 0.11 -1.95 -2.81 132.00 139.89 1isc h PRO 144 Ca -0.26 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.86 1isc h PRO 144 Cb 1.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 1isc h PRO 144 CO 0.40 0.00 0.14 -0.07 -0.21 0.00 0.00 178.00 178.26 1isc h LEU 145 N 0.00 0.00 -0.57 2.35 3.38 -1.96 0.51 115.31 119.02 1isc h LEU 145 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1isc h LEU 145 Cb 0.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1isc h LEU 145 CO -0.00 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.88 1isc n THR 146 N -3.38 0.16 -4.24 0.22 -2.24 -1.06 -4.86 114.28 98.89 1isc n THR 146 Ca -0.01 -0.19 -0.11 0.00 -2.27 0.00 0.00 64.05 61.47 1isc n THR 146 Cb 0.22 0.07 -0.02 0.00 -2.10 0.00 0.00 70.33 68.49 1isc n THR 146 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1isc n THR 147 N -0.13 0.00 1.51 4.28 -2.24 0.17 -5.04 114.28 112.83 1isc n THR 147 Ca 0.10 -0.85 0.15 0.00 -2.27 0.00 0.00 64.05 61.17 1isc n THR 147 Cb 0.16 0.22 0.70 0.00 -2.10 0.00 0.00 70.33 69.31 1isc n THR 147 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1isc n ASP 148 N -1.39 0.30 -4.84 3.42 9.92 -1.26 -4.92 116.55 117.78 1isc n ASP 148 Ca -0.06 -0.55 -0.32 0.00 -0.53 0.00 0.00 54.79 53.33 1isc n ASP 148 Cb 0.23 -0.12 -0.06 0.00 -0.64 0.00 0.00 41.12 40.53 1isc n ASP 148 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1isc s ALA 149 N -2.41 3.19 -0.23 2.24 0.00 -1.26 -4.19 121.76 119.10 1isc s ALA 149 Ca 0.32 0.16 -0.09 0.00 0.00 0.00 0.00 51.96 52.35 1isc s ALA 149 Cb 0.20 -2.94 -0.04 0.00 0.00 0.00 0.00 23.12 20.34 1isc s ALA 149 CO 0.45 0.15 0.11 0.99 0.00 0.00 0.00 175.76 177.46 1isc s THR 150 N -2.18 4.91 0.18 0.00 2.01 0.22 -4.59 115.64 116.18 1isc s THR 150 Ca 0.57 0.02 -0.31 0.00 0.31 0.00 0.00 61.69 62.29 1isc s THR 150 Cb -0.10 -3.27 -0.09 0.00 0.01 0.00 0.00 72.50 69.05 1isc s THR 150 CO 0.19 0.37 1.39 -2.84 -0.69 0.00 0.00 174.62 173.05 1isc s PRO 151 N 1.03 4.32 -0.04 4.92 0.02 -1.26 -0.87 135.00 143.11 1isc s PRO 151 Ca 0.06 2.15 0.02 0.00 0.02 0.00 0.00 61.00 63.24 1isc s PRO 151 Cb -0.14 -3.19 -0.04 0.00 0.02 0.00 0.00 34.50 31.15 1isc s PRO 151 CO 0.04 -0.39 -0.01 1.28 -0.33 0.00 0.00 177.00 177.58 1isc n LEU 152 N 3.17 1.46 -3.68 -5.54 4.77 0.23 -4.89 117.00 112.53 1isc n LEU 152 Ca 0.09 -0.01 -0.14 0.00 -0.03 0.00 0.00 56.01 55.91 1isc n LEU 152 Cb 0.42 -0.04 -0.08 0.00 -2.33 0.00 0.00 43.42 41.39 1isc n LEU 152 CO 0.59 0.33 0.18 -0.22 -1.33 0.00 0.00 177.39 176.95 1isc s LEU 153 N -4.78 0.19 0.04 2.23 2.96 -1.12 -4.41 118.68 113.80 1isc s LEU 153 Ca -0.04 0.59 -0.08 0.00 -0.22 0.00 0.00 54.13 54.38 1isc s LEU 153 Cb 0.01 1.75 -0.00 0.00 0.50 0.00 0.00 46.19 48.45 1isc s LEU 153 CO 0.14 -0.38 0.16 0.28 -1.32 0.00 0.00 176.35 175.23 1isc s THR 154 N -0.68 0.12 -0.03 3.68 -1.32 -1.26 -1.16 115.64 114.99 1isc s THR 154 Ca -0.08 -0.97 0.03 0.00 -1.21 0.00 0.00 61.69 59.46 1isc s THR 154 Cb -0.03 -0.93 0.00 0.00 -1.51 0.00 0.00 72.50 70.03 1isc s THR 154 CO 0.04 -0.53 -0.11 0.54 -2.21 0.00 0.00 174.62 172.35 1isc s VAL 155 N -2.64 0.95 -0.16 5.08 0.11 -0.48 -4.89 120.40 118.36 1isc s VAL 155 Ca -0.05 -0.45 -0.29 0.00 -2.93 0.00 0.00 61.98 58.26 1isc s VAL 155 Cb -0.01 -0.83 -0.00 0.00 -1.53 0.00 0.00 36.38 34.01 1isc s VAL 155 CO -0.04 0.29 1.01 -0.62 -3.33 0.00 0.00 175.10 172.40 1isc s ASP 156 N 0.15 7.16 -0.11 3.54 -1.08 -1.26 -2.15 116.67 122.91 1isc s ASP 156 Ca -0.03 1.44 0.14 0.00 -0.52 0.00 0.00 52.55 53.58 1isc s ASP 156 Cb -0.09 -2.54 0.35 0.00 -1.46 0.00 0.00 42.92 39.18 1isc s ASP 156 CO 0.01 -0.54 1.26 1.33 0.52 0.00 0.00 175.17 177.74 1isc n VAL 157 N 4.90 1.80 -1.77 1.11 0.24 -0.03 -4.82 118.33 119.76 1isc n VAL 157 Ca 0.10 -1.75 -0.40 0.00 -2.04 0.00 0.00 64.34 60.25 1isc n VAL 157 Cb 0.48 -0.03 0.02 0.00 -1.47 0.00 0.00 33.84 32.83 1isc n VAL 157 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 1isc s TRP 158 N -2.32 2.40 0.50 6.34 0.52 -1.19 -4.36 118.94 120.84 1isc s TRP 158 Ca 0.31 1.25 0.18 0.00 0.02 0.00 0.00 56.10 57.86 1isc s TRP 158 Cb 0.24 -3.95 1.28 0.00 -1.15 0.00 0.00 33.47 29.90 1isc s TRP 158 CO 0.07 -3.04 2.12 0.93 0.02 0.00 0.00 176.95 177.04 1isc h GLU 159 N 2.24 0.00 -0.05 4.98 5.08 -1.93 -0.93 114.58 123.97 1isc h GLU 159 Ca -0.51 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 57.86 1isc h GLU 159 Cb 1.27 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.52 1isc h GLU 159 CO 0.61 0.06 0.07 1.12 -1.00 0.00 0.00 179.01 179.87 1isc h HIS 160 N 0.00 0.00 0.00 4.33 2.07 -1.98 0.13 115.15 119.71 1isc h HIS 160 Ca -0.00 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.46 1isc h HIS 160 Cb 0.11 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.08 1isc h HIS 160 CO 0.00 0.00 -0.29 0.00 -3.07 0.00 0.00 177.93 174.57 1isc h ALA 161 N 1.91 1.23 0.00 6.11 0.00 -1.48 -3.36 119.26 123.67 1isc h ALA 161 Ca 0.02 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1isc h ALA 161 Cb 0.16 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1isc h ALA 161 CO -0.00 0.36 -0.05 2.48 0.00 0.00 0.00 179.25 182.04 1isc n TYR 162 N -3.77 0.00 0.12 0.00 0.18 -0.93 -4.89 117.16 107.86 1isc n TYR 162 Ca -0.01 0.00 0.03 0.00 1.88 0.00 0.00 57.90 59.80 1isc n TYR 162 Cb 0.38 0.00 0.41 0.00 -0.38 0.00 0.00 39.34 39.75 1isc n TYR 162 CO 0.00 0.00 0.00 -0.92 -2.08 0.00 0.00 176.86 173.86 1isc h TYR 163 N 0.00 0.26 -0.54 -3.48 3.20 -0.90 0.89 116.97 116.40 1isc h TYR 163 Ca 0.00 -0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.75 1isc h TYR 163 Cb 0.00 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.17 1isc h TYR 163 CO 0.00 0.34 -0.05 0.82 -1.64 0.00 0.00 178.16 177.64 1isc h ILE 164 N 0.24 1.26 0.03 1.81 2.04 -1.84 -1.46 117.51 119.59 1isc h ILE 164 Ca 0.05 -1.16 -0.33 0.00 1.00 0.00 0.00 64.86 64.43 1isc h ILE 164 Cb 0.31 0.90 -0.05 0.00 -0.74 0.00 0.00 36.82 37.24 1isc h ILE 164 CO 0.02 0.41 -1.94 0.47 0.00 0.00 0.00 178.15 177.11 1isc n ASP 165 N -4.17 1.11 0.00 1.72 8.00 -0.81 -4.59 116.55 117.81 1isc n ASP 165 Ca 0.02 0.26 0.00 0.00 0.71 0.00 0.00 54.79 55.79 1isc n ASP 165 Cb 0.36 -0.11 0.00 0.00 -0.02 0.00 0.00 41.12 41.34 1isc n ASP 165 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1isc n TYR 166 N -3.12 0.00 0.00 1.24 4.01 0.24 -5.09 117.16 114.45 1isc n TYR 166 Ca -0.25 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.49 1isc n TYR 166 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.09 1isc n TYR 166 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1isc n ARG 167 N -0.37 0.00 0.00 -0.72 5.12 -0.55 -1.64 116.66 118.50 1isc n ARG 167 Ca 0.00 0.00 0.15 0.00 -1.93 0.00 0.00 57.85 56.07 1isc n ARG 167 Cb 0.02 0.00 0.77 0.00 -1.16 0.00 0.00 32.46 32.10 1isc n ARG 167 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 1isc n ASN 168 N 4.57 0.00 -3.82 0.55 0.23 -1.26 -4.39 115.26 111.15 1isc n ASN 168 Ca 0.00 -0.21 -0.42 0.00 -0.53 0.00 0.00 54.58 53.42 1isc n ASN 168 Cb 0.00 -0.26 0.00 0.00 -2.08 0.00 0.00 39.78 37.44 1isc n ASN 168 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1isc n ALA 169 N -1.26 5.43 -0.14 -2.53 0.00 -0.65 -4.75 120.51 116.61 1isc n ALA 169 Ca 0.15 -4.16 0.13 0.00 0.00 0.00 0.00 53.44 49.56 1isc n ALA 169 Cb 0.23 -3.18 0.48 0.00 0.00 0.00 0.00 19.45 16.97 1isc n ALA 169 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1isc h ARG 170 N 5.84 0.46 -0.71 0.00 2.43 -1.84 -0.88 114.38 119.67 1isc h ARG 170 Ca 0.46 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.61 1isc h ARG 170 Cb 0.63 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 30.04 1isc h ARG 170 CO 1.72 0.30 0.47 -1.35 -1.51 0.00 0.00 179.97 179.61 1isc h PRO 171 N 0.47 0.92 -0.41 0.20 0.11 -1.97 -1.79 132.00 129.54 1isc h PRO 171 Ca 0.33 -0.06 -0.12 0.00 0.11 0.00 0.00 66.00 66.26 1isc h PRO 171 Cb 0.64 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.54 1isc h PRO 171 CO -0.11 0.61 -0.23 0.78 -0.21 0.00 0.00 178.00 178.85 1isc h GLY 172 N 0.95 0.95 0.70 -0.55 0.00 -1.58 -1.68 103.07 101.86 1isc h GLY 172 Ca 0.26 -0.87 0.04 0.00 0.00 0.00 0.00 47.33 46.76 1isc h GLY 172 CO -0.06 0.79 0.09 -1.82 0.00 0.00 0.00 176.54 175.54 1isc h TYR 173 N 0.69 0.16 -0.65 5.60 3.20 -1.07 -2.36 116.97 122.54 1isc h TYR 173 Ca 0.09 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.94 1isc h TYR 173 Cb 0.79 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 39.01 1isc h TYR 173 CO 0.06 0.06 0.25 -0.07 -1.64 0.00 0.00 178.16 176.82 1isc h LEU 174 N 0.22 0.87 -0.66 2.82 -0.00 -1.15 0.32 115.31 117.73 1isc h LEU 174 Ca 0.14 -0.12 -0.00 0.00 -0.00 0.00 0.00 57.88 57.89 1isc h LEU 174 Cb 0.13 -0.23 -0.03 0.00 -0.00 0.00 0.00 40.66 40.53 1isc h LEU 174 CO -0.16 0.79 0.41 -0.08 -0.00 0.00 0.00 178.44 179.40 1isc h GLU 175 N 0.93 0.89 0.00 1.13 4.81 -1.02 -2.24 114.58 119.08 1isc h GLU 175 Ca 0.22 -0.07 -0.07 0.00 -0.13 0.00 0.00 59.36 59.30 1isc h GLU 175 Cb 0.20 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 1isc h GLU 175 CO -0.02 0.62 -0.34 0.45 -0.73 0.00 0.00 179.01 179.00 1isc h HIS 176 N 0.90 0.00 -0.99 0.92 3.86 -1.05 -3.10 115.15 115.69 1isc h HIS 176 Ca 0.24 0.00 0.07 0.00 -1.16 0.00 0.00 60.37 59.51 1isc h HIS 176 Cb -0.05 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 28.36 1isc h HIS 176 CO -0.02 0.34 0.64 0.35 0.86 0.00 0.00 177.93 180.10 1isc h PHE 177 N 0.00 1.18 0.00 2.45 3.57 -0.33 -2.19 116.94 121.62 1isc h PHE 177 Ca -0.00 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.50 1isc h PHE 177 Cb 1.07 -0.39 -0.00 0.00 2.79 0.00 0.00 35.95 39.41 1isc h PHE 177 CO 0.00 0.61 -0.14 -1.49 -2.23 0.00 0.00 178.31 175.06 1isc h TRP 178 N 1.15 0.00 0.00 0.41 4.06 -1.43 -1.21 115.95 118.93 1isc h TRP 178 Ca 0.43 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.38 1isc h TRP 178 Cb 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.33 1isc h TRP 178 CO -0.01 0.14 0.00 0.00 -3.56 0.00 0.00 178.44 175.02 1isc n ALA 179 N -2.39 1.99 0.38 1.49 0.00 -0.83 -3.46 120.51 117.69 1isc n ALA 179 Ca -0.02 -0.08 0.04 0.00 0.00 0.00 0.00 53.44 53.38 1isc n ALA 179 Cb 0.23 -1.34 -0.03 0.00 0.00 0.00 0.00 19.45 18.31 1isc n ALA 179 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1isc n LEU 180 N -1.44 0.64 -4.71 0.00 4.77 -0.47 -3.40 117.00 112.38 1isc n LEU 180 Ca 0.06 -0.59 -0.43 0.00 -0.03 0.00 0.00 56.01 55.02 1isc n LEU 180 Cb 0.22 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.28 1isc n LEU 180 CO 0.18 0.14 1.30 0.52 -1.33 0.00 0.00 177.39 178.20 1isc n VAL 181 N -0.87 0.21 -3.00 4.08 0.31 -1.12 -0.87 118.33 117.07 1isc n VAL 181 Ca 0.02 -0.05 -0.44 0.00 -0.01 0.00 0.00 64.34 63.86 1isc n VAL 181 Cb 0.14 -1.86 -0.02 0.00 -0.91 0.00 0.00 33.84 31.20 1isc n VAL 181 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 1isc s ASN 182 N 0.96 6.69 0.53 4.52 3.04 0.27 -1.15 114.94 129.80 1isc s ASN 182 Ca 0.74 -2.24 0.28 0.00 0.04 0.00 0.00 52.86 51.68 1isc s ASN 182 Cb -0.55 -2.37 1.50 0.00 -1.54 0.00 0.00 41.25 38.29 1isc s ASN 182 CO 0.37 -0.95 2.09 -0.50 -3.04 0.00 0.00 177.10 175.07 1isc h TRP 183 N 8.51 0.00 -0.80 0.43 4.06 -1.90 -1.86 115.95 124.40 1isc h TRP 183 Ca 0.16 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 61.11 1isc h TRP 183 Cb 1.01 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 29.14 1isc h TRP 183 CO 1.14 0.10 0.48 0.93 -3.56 0.00 0.00 178.44 177.53 1isc h GLU 184 N 0.00 1.08 -0.33 0.49 4.39 -1.97 -0.35 114.58 117.88 1isc h GLU 184 Ca -0.00 -0.10 -0.10 0.00 0.34 0.00 0.00 59.36 59.51 1isc h GLU 184 Cb 0.32 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 1isc h GLU 184 CO 0.01 0.76 -0.16 0.35 -1.16 0.00 0.00 179.01 178.81 1isc h PHE 185 N 1.10 0.81 -0.86 4.33 3.57 -1.64 -1.84 116.94 122.40 1isc h PHE 185 Ca 0.29 -0.20 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 1isc h PHE 185 Cb -0.04 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 38.47 1isc h PHE 185 CO 0.00 0.91 0.49 0.28 -2.23 0.00 0.00 178.31 177.76 1isc h VAL 186 N 0.47 1.25 -0.88 1.41 2.07 -1.28 -0.64 116.25 118.65 1isc h VAL 186 Ca 0.07 -0.58 -0.02 0.00 0.82 0.00 0.00 66.70 66.99 1isc h VAL 186 Cb 0.70 0.07 -0.04 0.00 -1.52 0.00 0.00 31.29 30.50 1isc h VAL 186 CO 0.05 0.27 0.46 0.00 0.02 0.00 0.00 177.57 178.37 1isc h ALA 187 N 1.26 1.13 -0.14 1.67 0.00 -0.77 -0.52 119.26 121.89 1isc h ALA 187 Ca 0.30 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 1isc h ALA 187 Cb -0.00 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 1isc h ALA 187 CO -0.05 0.66 -0.41 0.87 0.00 0.00 0.00 179.25 180.31 1isc h LYS 188 N 1.23 0.31 -0.20 0.00 1.57 -0.62 -2.18 116.57 116.69 1isc h LYS 188 Ca 0.31 -0.15 -0.16 0.00 -1.87 0.00 0.00 60.65 58.78 1isc h LYS 188 Cb 0.06 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 1isc h LYS 188 CO -0.05 0.67 -0.54 -0.91 -0.57 0.00 0.00 179.45 178.06 1isc h ASN 189 N 0.26 0.64 0.34 0.86 -0.26 -0.31 -3.04 115.58 114.07 1isc h ASN 189 Ca 0.02 -0.34 -0.11 0.00 -0.56 0.00 0.00 56.30 55.31 1isc h ASN 189 Cb 0.84 -0.18 -0.01 0.00 -1.06 0.00 0.00 38.32 37.90 1isc h ASN 189 CO 0.07 1.06 -0.48 0.25 -1.06 0.00 0.00 177.43 177.27 1isc h LEU 190 N 0.45 0.18 -0.43 1.61 5.85 -0.85 -3.22 115.31 118.91 1isc h LEU 190 Ca 0.01 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.65 1isc h LEU 190 Cb 1.09 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.06 1isc h LEU 190 CO 0.10 0.64 -0.15 0.00 -0.34 0.00 0.00 178.44 178.70 1isc n ALA 191 N -2.46 2.85 1.85 1.25 0.00 -0.84 -5.11 120.51 118.05 1isc n ALA 191 Ca -0.02 -0.34 0.15 0.00 0.00 0.00 0.00 53.44 53.24 1isc n ALA 191 Cb 0.52 -1.24 0.82 0.00 0.00 0.00 0.00 19.45 19.55 1isc n ALA 191 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50