#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fwc s ASN 14 N 0.00 1.12 -0.13 -1.43 3.84 -1.26 -5.06 114.94 112.01 3fwc s ASN 14 Ca 0.00 -0.17 0.04 0.00 0.21 0.00 0.00 52.86 52.93 3fwc s ASN 14 Cb 0.00 -0.24 -0.11 0.00 -0.55 0.00 0.00 41.25 40.35 3fwc s ASN 14 CO 0.00 0.08 -0.08 -1.20 -2.79 0.00 0.00 177.10 173.11 3fwc n SER 15 N 3.16 2.72 -1.24 -4.21 7.64 -1.26 -4.75 113.62 115.68 3fwc n SER 15 Ca -0.17 -0.05 0.03 0.00 1.01 0.00 0.00 58.87 59.69 3fwc n SER 15 Cb 0.55 0.07 0.21 0.00 -1.01 0.00 0.00 64.21 64.02 3fwc n SER 15 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3fwc n GLU 16 N -2.77 2.97 -3.35 1.43 1.02 -1.26 -4.88 120.64 113.81 3fwc n GLU 16 Ca -0.23 -1.62 -0.38 0.00 -0.02 0.00 0.00 57.16 54.91 3fwc n GLU 16 Cb 0.79 -1.89 -0.06 0.00 -0.02 0.00 0.00 31.44 30.27 3fwc n GLU 16 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3fwc s LEU 17 N -1.43 4.38 1.17 -4.62 1.43 -1.26 -5.07 118.68 113.27 3fwc s LEU 17 Ca 0.28 0.95 -0.13 0.00 -1.03 0.00 0.00 54.13 54.21 3fwc s LEU 17 Cb 0.22 -2.72 0.29 0.00 0.03 0.00 0.00 46.19 44.00 3fwc s LEU 17 CO 0.08 0.13 1.03 -0.76 0.23 0.00 0.00 176.35 177.06 3fwc s LEU 18 N -0.13 0.91 0.08 1.79 1.43 -1.26 -4.86 118.68 116.64 3fwc s LEU 18 Ca 0.26 1.62 -0.11 0.00 -1.03 0.00 0.00 54.13 54.87 3fwc s LEU 18 Cb -0.16 -3.53 -0.23 0.00 0.03 0.00 0.00 46.19 42.30 3fwc s LEU 18 CO 0.13 -4.26 1.18 -0.08 0.23 0.00 0.00 176.35 173.55 3fwc h GLU 19 N -2.66 0.58 -0.49 1.70 4.57 -2.00 -2.76 114.58 113.52 3fwc h GLU 19 Ca -0.61 -0.70 -0.05 0.00 -1.18 0.00 0.00 59.36 56.82 3fwc h GLU 19 Cb 1.33 0.22 -0.02 0.00 -0.16 0.00 0.00 28.75 30.12 3fwc h GLU 19 CO 0.49 1.30 0.08 1.05 -1.18 0.00 0.00 179.01 180.74 3fwc h GLU 20 N 0.29 0.77 -0.45 1.92 4.11 -1.99 -2.00 114.58 117.22 3fwc h GLU 20 Ca -0.14 -0.17 -0.02 0.00 0.07 0.00 0.00 59.36 59.10 3fwc h GLU 20 Cb 1.79 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.91 3fwc h GLU 20 CO 0.21 0.72 0.20 1.96 0.07 0.00 0.00 179.01 182.17 3fwc h GLN 21 N 0.73 0.66 -0.86 1.06 4.20 -1.92 0.02 115.11 119.00 3fwc h GLN 21 Ca 0.16 -0.11 0.07 0.00 0.06 0.00 0.00 58.65 58.83 3fwc h GLN 21 Cb 0.33 -0.11 -0.06 0.00 0.30 0.00 0.00 27.48 27.93 3fwc h GLN 21 CO 0.00 0.58 0.53 0.87 -0.67 0.00 0.00 178.83 180.14 3fwc h LYS 22 N 0.59 0.92 -0.57 1.46 1.57 -1.16 0.84 116.57 120.22 3fwc h LYS 22 Ca 0.15 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.85 3fwc h LYS 22 Cb 0.15 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.23 3fwc h LYS 22 CO -0.02 0.61 0.24 1.96 -0.57 0.00 0.00 179.45 181.67 3fwc h GLN 23 N 0.95 0.81 0.47 3.15 1.08 -0.75 -1.85 115.11 118.97 3fwc h GLN 23 Ca 0.38 -0.12 -0.02 0.00 -1.45 0.00 0.00 58.65 57.45 3fwc h GLN 23 Cb 0.21 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.49 3fwc h GLN 23 CO -0.19 0.65 -0.29 0.93 -0.95 0.00 0.00 178.83 178.99 3fwc h GLU 24 N 0.80 -0.70 -0.82 1.46 5.08 0.11 -0.02 114.58 120.50 3fwc h GLU 24 Ca 0.19 0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.65 3fwc h GLU 24 Cb 0.14 0.16 -0.06 0.00 0.50 0.00 0.00 28.75 29.49 3fwc h GLU 24 CO -0.02 -0.46 0.51 0.82 -1.00 0.00 0.00 179.01 178.86 3fwc h ILE 25 N -0.72 1.06 -0.16 3.13 2.04 -1.18 -1.29 117.51 120.39 3fwc h ILE 25 Ca -0.05 -0.33 -0.02 0.00 1.00 0.00 0.00 64.86 65.46 3fwc h ILE 25 Cb 0.59 0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 3fwc h ILE 25 CO 0.05 0.17 0.02 0.22 0.00 0.00 0.00 178.15 178.62 3fwc h TYR 26 N 0.95 0.29 -0.09 1.37 3.20 -1.11 -2.28 116.97 119.30 3fwc h TYR 26 Ca 0.35 -0.04 -0.09 0.00 3.14 0.00 0.00 58.73 62.09 3fwc h TYR 26 Cb 0.12 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 3fwc h TYR 26 CO -0.04 0.45 -0.36 0.93 -1.64 0.00 0.00 178.16 177.50 3fwc h GLU 27 N 0.04 0.17 -0.20 1.82 5.08 -0.66 -1.75 114.58 119.08 3fwc h GLU 27 Ca 0.05 -0.07 -0.17 0.00 -1.00 0.00 0.00 59.36 58.16 3fwc h GLU 27 Cb 0.32 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.56 3fwc h GLU 27 CO 0.00 0.52 -0.55 0.00 -1.00 0.00 0.00 179.01 177.98 3fwc h ALA 28 N 1.48 0.34 -0.26 3.43 0.00 -1.13 -1.11 119.26 122.01 3fwc h ALA 28 Ca 0.02 -0.52 -0.06 0.00 0.00 0.00 0.00 54.91 54.35 3fwc h ALA 28 Cb 0.72 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 3fwc h ALA 28 CO 0.05 0.56 -0.07 0.35 0.00 0.00 0.00 179.25 180.15 3fwc h PHE 29 N 0.45 0.57 -0.44 0.00 3.57 -1.23 -3.21 116.94 116.66 3fwc h PHE 29 Ca -0.01 -0.12 -0.09 0.00 3.53 0.00 0.00 57.97 61.28 3fwc h PHE 29 Cb 1.17 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.75 3fwc h PHE 29 CO 0.09 0.72 -0.07 0.77 -2.23 0.00 0.00 178.31 177.59 3fwc h SER 30 N 0.26 0.75 0.04 0.41 0.02 -1.29 -2.38 113.55 111.36 3fwc h SER 30 Ca 0.07 -0.21 -0.00 0.00 -0.84 0.00 0.00 61.79 60.81 3fwc h SER 30 Cb 0.54 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 62.88 3fwc h SER 30 CO 0.03 0.87 -0.00 0.25 -1.14 0.00 0.00 176.83 176.83 3fwc h LEU 31 N 0.71 0.00 -2.22 5.07 5.85 -1.19 -2.79 115.31 120.74 3fwc h LEU 31 Ca 0.13 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.85 3fwc h LEU 31 Cb 0.54 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.57 3fwc h LEU 31 CO 0.03 0.00 0.00 0.49 -0.34 0.00 0.00 178.44 178.63 3fwc n PHE 32 N -3.41 0.00 -2.60 1.25 3.01 -1.07 -4.80 117.46 109.84 3fwc n PHE 32 Ca -0.03 -0.31 -0.43 0.00 1.01 0.00 0.00 57.45 57.69 3fwc n PHE 32 Cb 0.09 -0.03 0.00 0.00 -0.01 0.00 0.00 39.48 39.52 3fwc n PHE 32 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 3fwc n ASP 33 N -0.31 4.94 -0.15 4.37 4.64 -0.92 -4.84 116.55 124.27 3fwc n ASP 33 Ca 0.00 -2.93 -0.06 0.00 -1.38 0.00 0.00 54.79 50.42 3fwc n ASP 33 Cb 0.19 -1.70 0.03 0.00 -1.04 0.00 0.00 41.12 38.60 3fwc n ASP 33 CO 0.00 0.00 0.00 0.24 -0.82 0.00 0.00 177.20 176.62 3fwc h MET 34 N 7.34 0.53 -5.01 -0.67 2.86 -1.87 -3.34 114.93 114.78 3fwc h MET 34 Ca 0.43 -0.03 -0.65 0.00 -2.06 0.00 0.00 59.70 57.38 3fwc h MET 34 Cb 0.85 -0.12 -0.25 0.00 0.06 0.00 0.00 31.60 32.14 3fwc h MET 34 CO 1.44 0.35 -0.68 0.54 1.06 0.00 0.00 176.91 179.63 3fwc s ASN 35 N -5.55 4.70 -0.49 1.22 4.22 -1.26 -5.02 114.94 112.76 3fwc s ASN 35 Ca -0.13 -0.29 -0.05 0.00 -2.14 0.00 0.00 52.86 50.26 3fwc s ASN 35 Cb 0.12 -1.82 -0.10 0.00 1.28 0.00 0.00 41.25 40.73 3fwc s ASN 35 CO 0.73 -0.01 2.22 0.59 -2.04 0.00 0.00 177.10 178.60 3fwc n ASN 36 N 4.73 4.11 -0.06 3.54 4.13 -1.25 -4.41 115.26 126.04 3fwc n ASN 36 Ca -0.17 -2.20 0.14 0.00 1.68 0.00 0.00 54.58 54.03 3fwc n ASN 36 Cb 0.51 -0.97 0.66 0.00 -1.54 0.00 0.00 39.78 38.43 3fwc n ASN 36 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 3fwc n ASP 37 N 3.48 0.26 -1.24 6.41 5.68 -1.26 -4.88 116.55 124.99 3fwc n ASP 37 Ca 0.36 -0.35 -0.10 0.00 -0.50 0.00 0.00 54.79 54.20 3fwc n ASP 37 Cb 0.32 -0.16 0.00 0.00 -1.14 0.00 0.00 41.12 40.14 3fwc n ASP 37 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3fwc n GLY 38 N 1.30 0.02 2.86 6.12 0.00 -1.26 -5.03 105.19 109.19 3fwc n GLY 38 Ca 0.14 -0.44 -0.13 0.00 0.00 0.00 0.00 46.02 45.59 3fwc n GLY 38 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3fwc s PHE 39 N -2.59 0.03 0.07 1.61 0.40 -1.26 -3.05 117.98 113.18 3fwc s PHE 39 Ca 0.04 0.01 0.07 0.00 -0.60 0.00 0.00 56.93 56.45 3fwc s PHE 39 Cb -0.02 -0.05 -0.04 0.00 0.51 0.00 0.00 43.02 43.43 3fwc s PHE 39 CO 0.06 -0.01 -0.14 -0.51 0.70 0.00 0.00 175.22 175.31 3fwc s LEU 40 N 0.12 2.81 0.50 -0.37 1.43 -0.93 -4.87 118.68 117.37 3fwc s LEU 40 Ca -0.01 -0.40 0.08 0.00 -1.03 0.00 0.00 54.13 52.77 3fwc s LEU 40 Cb -0.02 -1.64 0.04 0.00 0.03 0.00 0.00 46.19 44.60 3fwc s LEU 40 CO -0.00 0.22 0.62 1.51 0.23 0.00 0.00 176.35 178.93 3fwc s ASP 41 N -1.77 5.25 0.27 2.29 1.47 -1.26 -1.50 116.67 121.41 3fwc s ASP 41 Ca 0.17 -0.72 -0.06 0.00 1.18 0.00 0.00 52.55 53.12 3fwc s ASP 41 Cb -0.11 -0.15 0.50 0.00 -0.34 0.00 0.00 42.92 42.83 3fwc s ASP 41 CO 0.09 -1.02 1.59 0.22 0.68 0.00 0.00 175.17 176.73 3fwc h TYR 42 N 0.51 -0.24 -0.22 2.11 3.20 -1.99 0.11 116.97 120.45 3fwc h TYR 42 Ca -0.36 0.07 -0.19 0.00 3.14 0.00 0.00 58.73 61.39 3fwc h TYR 42 Cb 1.28 0.25 0.00 0.00 1.54 0.00 0.00 36.73 39.81 3fwc h TYR 42 CO 0.49 -0.36 -0.61 0.45 -1.64 0.00 0.00 178.16 176.49 3fwc h HIS 43 N 0.03 1.04 -0.36 -3.82 3.86 -1.98 -1.76 115.15 112.15 3fwc h HIS 43 Ca 0.47 -0.41 -0.03 0.00 -1.16 0.00 0.00 60.37 59.24 3fwc h HIS 43 Cb 0.83 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 29.10 3fwc h HIS 43 CO -0.57 1.23 0.09 0.93 0.86 0.00 0.00 177.93 180.48 3fwc h GLU 44 N 0.55 0.57 -0.83 2.45 5.08 -1.60 -2.56 114.58 118.24 3fwc h GLU 44 Ca -0.01 -0.13 0.04 0.00 -1.00 0.00 0.00 59.36 58.25 3fwc h GLU 44 Cb 1.23 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 30.35 3fwc h GLU 44 CO 0.13 0.61 0.53 1.25 -1.00 0.00 0.00 179.01 180.54 3fwc h LEU 45 N 0.43 0.87 0.03 1.33 5.85 -0.77 -0.71 115.31 122.34 3fwc h LEU 45 Ca 0.11 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 3fwc h LEU 45 Cb 0.29 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.13 3fwc h LEU 45 CO 0.00 0.60 -0.01 0.50 -0.34 0.00 0.00 178.44 179.18 3fwc h LYS 46 N 1.02 -0.03 0.00 1.25 3.64 -1.08 -1.80 116.57 119.57 3fwc h LYS 46 Ca 0.34 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.66 3fwc h LYS 46 Cb 0.04 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 3fwc h LYS 46 CO -0.12 0.02 -0.31 -0.39 -2.27 0.00 0.00 179.45 176.38 3fwc h VAL 47 N -0.08 0.68 -0.30 2.00 -1.51 -1.25 -2.04 116.25 113.75 3fwc h VAL 47 Ca -0.00 -1.41 -0.08 0.00 -1.23 0.00 0.00 66.70 63.97 3fwc h VAL 47 Cb 0.07 1.93 -0.01 0.00 -2.13 0.00 0.00 31.29 31.15 3fwc h VAL 47 CO 0.01 0.30 -0.14 0.00 -1.23 0.00 0.00 177.57 176.50 3fwc h ALA 48 N 1.69 0.42 -0.35 5.19 0.00 -0.82 -0.79 119.26 124.60 3fwc h ALA 48 Ca -0.00 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.53 3fwc h ALA 48 Cb 0.90 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 3fwc h ALA 48 CO 0.04 0.31 0.01 0.52 0.00 0.00 0.00 179.25 180.13 3fwc h MET 49 N 0.37 0.54 -0.80 0.00 2.07 -1.24 -1.59 114.93 114.28 3fwc h MET 49 Ca 0.07 -0.11 -0.01 0.00 -2.07 0.00 0.00 59.70 57.58 3fwc h MET 49 Cb 0.66 -0.08 -0.04 0.00 -1.87 0.00 0.00 31.60 30.28 3fwc h MET 49 CO 0.04 0.55 0.46 -0.22 1.07 0.00 0.00 176.91 178.81 3fwc h LYS 50 N 0.52 1.10 -0.30 1.72 3.64 -0.97 0.14 116.57 122.41 3fwc h LYS 50 Ca 0.11 -0.12 0.08 0.00 -1.27 0.00 0.00 60.65 59.46 3fwc h LYS 50 Cb 0.31 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 3fwc h LYS 50 CO 0.01 0.79 0.21 0.00 -2.27 0.00 0.00 179.45 178.20 3fwc h ALA 51 N 1.24 2.23 -0.17 5.00 0.00 -0.14 0.75 119.26 128.17 3fwc h ALA 51 Ca 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3fwc h ALA 51 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3fwc h ALA 51 CO -0.05 -0.31 0.00 1.28 0.00 0.00 0.00 179.25 180.17 3fwc n LEU 52 N -4.46 2.49 -0.07 0.00 4.77 -0.86 -4.95 117.00 113.91 3fwc n LEU 52 Ca 0.04 -0.97 0.00 0.00 -0.03 0.00 0.00 56.01 55.05 3fwc n LEU 52 Cb 0.35 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 3fwc n LEU 52 CO 0.35 0.48 0.00 0.61 -1.33 0.00 0.00 177.39 177.51 3fwc n GLY 53 N 1.30 0.86 3.07 -0.72 0.00 0.26 -5.07 105.19 104.90 3fwc n GLY 53 Ca 0.17 -0.61 -0.26 0.00 0.00 0.00 0.00 46.02 45.32 3fwc n GLY 53 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3fwc s PHE 54 N -2.14 1.71 -0.18 1.61 0.08 0.43 -4.99 117.98 114.51 3fwc s PHE 54 Ca 0.00 -0.64 0.00 0.00 0.12 0.00 0.00 56.93 56.41 3fwc s PHE 54 Cb 0.00 -1.21 0.04 0.00 -0.57 0.00 0.00 43.02 41.28 3fwc s PHE 54 CO 0.00 -0.30 -0.10 -1.21 -0.10 0.00 0.00 175.22 173.52 3fwc s GLU 55 N 0.55 1.91 0.21 0.44 2.02 -1.26 -2.71 118.70 119.85 3fwc s GLU 55 Ca -0.15 -0.69 0.10 0.00 0.02 0.00 0.00 54.97 54.25 3fwc s GLU 55 Cb -0.16 -2.23 -0.04 0.00 0.10 0.00 0.00 34.13 31.79 3fwc s GLU 55 CO 0.05 -0.39 -0.13 -0.51 0.02 0.00 0.00 175.26 174.30 3fwc s LEU 56 N 1.48 2.83 0.61 1.80 1.43 -1.26 -5.11 118.68 120.46 3fwc s LEU 56 Ca 0.00 -0.71 -0.19 0.00 -1.03 0.00 0.00 54.13 52.21 3fwc s LEU 56 Cb -0.15 -1.48 -0.03 0.00 0.03 0.00 0.00 46.19 44.55 3fwc s LEU 56 CO -0.08 0.09 1.21 -2.65 0.23 0.00 0.00 176.35 175.14 3fwc n PRO 57 N -0.11 1.16 -0.13 1.29 -0.02 -1.26 -4.82 135.00 131.11 3fwc n PRO 57 Ca -0.10 0.45 0.26 0.00 -2.02 0.00 0.00 63.50 62.08 3fwc n PRO 57 Cb 0.57 -2.43 0.71 0.00 -0.02 0.00 0.00 33.50 32.32 3fwc n PRO 57 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3fwc h LYS 58 N 0.69 0.01 0.13 -0.52 1.57 -1.99 -1.98 116.57 114.49 3fwc h LYS 58 Ca -0.50 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.27 3fwc h LYS 58 Cb 1.34 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.65 3fwc h LYS 58 CO 0.53 0.01 -0.06 -0.09 -0.57 0.00 0.00 179.45 179.27 3fwc h ARG 59 N 0.01 -0.17 -0.60 3.15 2.43 -2.00 -2.44 114.38 114.77 3fwc h ARG 59 Ca 0.37 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.50 3fwc h ARG 59 Cb 1.47 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 31.04 3fwc h ARG 59 CO -0.01 0.11 0.16 1.49 -1.51 0.00 0.00 179.97 180.21 3fwc h GLU 60 N -0.44 0.96 -0.65 0.20 4.81 -1.73 -1.14 114.58 116.58 3fwc h GLU 60 Ca -0.02 -0.22 0.04 0.00 -0.13 0.00 0.00 59.36 59.02 3fwc h GLU 60 Cb 0.36 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.56 3fwc h GLU 60 CO 0.03 0.87 0.39 0.82 -0.73 0.00 0.00 179.01 180.39 3fwc h ILE 61 N 0.87 1.05 -0.14 2.32 2.04 -1.43 -1.05 117.51 121.17 3fwc h ILE 61 Ca 0.19 -0.26 -0.18 0.00 1.00 0.00 0.00 64.86 65.61 3fwc h ILE 61 Cb 0.34 0.23 -0.00 0.00 -0.74 0.00 0.00 36.82 36.65 3fwc h ILE 61 CO 0.00 0.14 -0.66 -0.07 0.00 0.00 0.00 178.15 177.56 3fwc h LEU 62 N 0.75 0.62 -0.84 1.44 3.38 -1.24 -2.53 115.31 116.89 3fwc h LEU 62 Ca 0.27 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3fwc h LEU 62 Cb 0.07 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 3fwc h LEU 62 CO -0.13 1.11 0.53 0.44 0.09 0.00 0.00 178.44 180.49 3fwc h ASP 63 N 0.38 0.98 -0.65 -0.43 5.19 -0.86 -0.76 116.42 120.27 3fwc h ASP 63 Ca -0.02 -0.04 -0.04 0.00 -0.62 0.00 0.00 57.03 56.31 3fwc h ASP 63 Cb 1.23 -0.25 -0.03 0.00 0.18 0.00 0.00 39.33 40.47 3fwc h ASP 63 CO 0.12 0.73 0.25 -0.07 -3.12 0.00 0.00 179.24 177.15 3fwc h LEU 64 N 1.14 0.91 0.02 1.55 3.38 -1.06 -0.31 115.31 120.94 3fwc h LEU 64 Ca 0.30 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 3fwc h LEU 64 Cb -0.09 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.42 3fwc h LEU 64 CO -0.06 0.84 -0.01 0.40 0.09 0.00 0.00 178.44 179.70 3fwc h ILE 65 N 0.92 1.06 -0.52 1.22 2.04 -1.02 -2.56 117.51 118.65 3fwc h ILE 65 Ca 0.21 -0.23 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 3fwc h ILE 65 Cb 0.23 1.21 -0.03 0.00 -0.74 0.00 0.00 36.82 37.49 3fwc h ILE 65 CO -0.01 0.06 0.26 0.44 0.00 0.00 0.00 178.15 178.90 3fwc h ASP 66 N -0.12 0.65 -0.03 1.72 3.32 -0.85 -0.05 116.42 121.05 3fwc h ASP 66 Ca -0.00 -0.05 -0.12 0.00 0.02 0.00 0.00 57.03 56.87 3fwc h ASP 66 Cb 0.11 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 3fwc h ASP 66 CO 0.00 0.54 -0.38 -0.08 -1.72 0.00 0.00 179.24 177.61 3fwc h GLU 67 N 0.73 0.53 -0.01 3.56 4.81 -0.85 -3.24 114.58 120.11 3fwc h GLU 67 Ca 0.18 -0.26 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 3fwc h GLU 67 Cb 0.06 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.44 3fwc h GLU 67 CO -0.03 0.83 -0.43 0.66 -0.73 0.00 0.00 179.01 179.31 3fwc n TYR 68 N -4.04 0.00 -2.14 0.92 4.02 -0.92 -4.94 117.16 110.06 3fwc n TYR 68 Ca -0.01 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.45 3fwc n TYR 68 Cb 0.50 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.79 3fwc n TYR 68 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 3fwc s ASP 69 N -2.10 6.50 0.02 7.72 2.15 -0.08 -4.89 116.67 125.99 3fwc s ASP 69 Ca 0.13 1.71 0.23 0.00 0.43 0.00 0.00 52.55 55.05 3fwc s ASP 69 Cb 0.14 -2.53 0.11 0.00 -0.30 0.00 0.00 42.92 40.33 3fwc s ASP 69 CO 0.48 -1.15 1.10 -1.20 -0.17 0.00 0.00 175.17 174.23 3fwc n SER 70 N 8.01 0.66 -0.10 -0.34 7.64 -1.26 -4.44 113.62 123.80 3fwc n SER 70 Ca 0.18 -0.40 0.02 0.00 1.01 0.00 0.00 58.87 59.68 3fwc n SER 70 Cb 0.45 0.70 0.03 0.00 -1.01 0.00 0.00 64.21 64.38 3fwc n SER 70 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3fwc n GLU 71 N -1.73 1.31 -1.32 1.43 1.02 -1.26 -4.99 120.64 115.10 3fwc n GLU 71 Ca 0.03 -1.38 -0.11 0.00 -0.02 0.00 0.00 57.16 55.69 3fwc n GLU 71 Cb 0.38 -0.89 -0.05 0.00 -0.02 0.00 0.00 31.44 30.87 3fwc n GLU 71 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3fwc n GLY 72 N -0.48 1.20 0.10 0.62 0.00 -1.26 -4.88 105.19 100.49 3fwc n GLY 72 Ca 0.03 -0.31 -0.02 0.00 0.00 0.00 0.00 46.02 45.72 3fwc n GLY 72 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3fwc h ARG 73 N 0.06 0.00 -1.74 1.61 3.08 -1.94 -3.48 114.38 111.97 3fwc h ARG 73 Ca -0.23 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.76 3fwc h ARG 73 Cb 0.85 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.92 3fwc h ARG 73 CO 0.33 0.53 -0.10 0.72 -1.07 0.00 0.00 179.97 180.38 3fwc n HIS 74 N -3.10 -0.42 -4.43 3.04 8.25 -1.26 -5.07 115.22 112.23 3fwc n HIS 74 Ca -0.06 0.15 -0.21 0.00 -0.26 0.00 0.00 57.72 57.34 3fwc n HIS 74 Cb 0.87 -1.63 -0.11 0.00 1.12 0.00 0.00 29.99 30.25 3fwc n HIS 74 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3fwc s LEU 75 N -1.95 2.25 -0.13 2.41 1.43 -1.26 -4.43 118.68 116.99 3fwc s LEU 75 Ca 0.08 -1.32 -0.00 0.00 -1.03 0.00 0.00 54.13 51.86 3fwc s LEU 75 Cb -0.04 -0.42 0.03 0.00 0.03 0.00 0.00 46.19 45.79 3fwc s LEU 75 CO 0.11 -0.54 -0.10 -0.32 0.23 0.00 0.00 176.35 175.72 3fwc s MET 76 N -3.86 1.81 0.73 1.70 -2.45 -0.56 -4.54 119.30 112.13 3fwc s MET 76 Ca 0.34 -0.41 -0.12 0.00 -1.25 0.00 0.00 55.69 54.25 3fwc s MET 76 Cb 0.07 -1.84 0.03 0.00 1.25 0.00 0.00 34.83 34.35 3fwc s MET 76 CO 0.14 -0.28 1.09 -1.59 1.05 0.00 0.00 175.02 175.44 3fwc s LYS 77 N 1.61 2.51 0.21 4.11 -2.85 -1.26 -2.18 119.74 121.89 3fwc s LYS 77 Ca 0.04 1.23 -0.09 0.00 -1.00 0.00 0.00 55.97 56.15 3fwc s LYS 77 Cb -0.13 -1.92 0.27 0.00 -2.06 0.00 0.00 37.83 33.99 3fwc s LYS 77 CO -0.09 -1.46 1.77 -0.92 0.10 0.00 0.00 175.35 174.75 3fwc h TYR 78 N -0.68 0.51 -0.75 1.78 3.20 -1.95 -2.03 116.97 117.06 3fwc h TYR 78 Ca -0.45 0.03 0.12 0.00 3.14 0.00 0.00 58.73 61.57 3fwc h TYR 78 Cb 1.23 -0.13 -0.13 0.00 1.54 0.00 0.00 36.73 39.24 3fwc h TYR 78 CO 0.57 0.18 -0.39 -0.44 -1.64 0.00 0.00 178.16 176.44 3fwc h ASP 79 N 0.51 -1.40 -0.23 -2.11 3.32 -1.92 0.30 116.42 114.89 3fwc h ASP 79 Ca 0.31 0.27 -0.17 0.00 0.02 0.00 0.00 57.03 57.45 3fwc h ASP 79 Cb 0.32 0.69 -0.00 0.00 0.22 0.00 0.00 39.33 40.55 3fwc h ASP 79 CO -0.26 -0.30 -0.49 0.44 -1.72 0.00 0.00 179.24 176.90 3fwc h ASP 80 N -0.12 0.89 -0.32 6.45 3.32 -1.83 -1.98 116.42 122.83 3fwc h ASP 80 Ca 0.25 -0.45 0.07 0.00 0.02 0.00 0.00 57.03 56.92 3fwc h ASP 80 Cb 0.56 -0.25 -0.06 0.00 0.22 0.00 0.00 39.33 39.80 3fwc h ASP 80 CO -0.80 1.22 -0.09 0.15 -1.72 0.00 0.00 179.24 178.01 3fwc h PHE 81 N 0.64 -0.19 -0.73 4.55 3.57 -0.61 -0.98 116.94 123.18 3fwc h PHE 81 Ca 0.03 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.63 3fwc h PHE 81 Cb 1.08 0.13 -0.06 0.00 2.79 0.00 0.00 35.95 39.89 3fwc h PHE 81 CO 0.06 -0.15 0.41 -0.92 -2.23 0.00 0.00 178.31 175.49 3fwc h TYR 82 N -0.01 0.76 0.46 0.41 3.20 -0.07 0.26 116.97 121.98 3fwc h TYR 82 Ca 0.16 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.03 3fwc h TYR 82 Cb 0.25 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.29 3fwc h TYR 82 CO -0.31 0.35 -0.22 0.82 -1.64 0.00 0.00 178.16 177.16 3fwc h ILE 83 N 0.74 0.53 0.17 1.81 2.04 -0.85 0.21 117.51 122.16 3fwc h ILE 83 Ca 0.33 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.98 3fwc h ILE 83 Cb 0.23 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 3fwc h ILE 83 CO -0.20 0.04 -0.14 0.58 0.00 0.00 0.00 178.15 178.43 3fwc h VAL 84 N -0.75 0.69 -0.31 1.67 2.07 -0.63 -1.80 116.25 117.19 3fwc h VAL 84 Ca -0.06 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.41 3fwc h VAL 84 Cb 0.54 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 3fwc h VAL 84 CO 0.10 0.00 -0.03 0.24 0.02 0.00 0.00 177.57 177.91 3fwc h MET 85 N -0.33 0.48 -0.55 1.57 2.86 -0.58 -2.64 114.93 115.74 3fwc h MET 85 Ca -0.00 -0.11 -0.08 0.00 -2.06 0.00 0.00 59.70 57.45 3fwc h MET 85 Cb 0.30 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.87 3fwc h MET 85 CO -0.02 0.53 0.01 0.78 1.06 0.00 0.00 176.91 179.27 3fwc h GLY 86 N 0.82 1.02 1.02 8.32 0.00 -0.63 -1.24 103.07 112.38 3fwc h GLY 86 Ca 0.10 -0.71 -0.09 0.00 0.00 0.00 0.00 47.33 46.64 3fwc h GLY 86 CO 0.01 0.65 -0.02 0.83 0.00 0.00 0.00 176.54 178.01 3fwc h GLU 87 N 0.87 0.91 -0.24 4.80 5.08 -1.02 -2.72 114.58 122.25 3fwc h GLU 87 Ca 0.16 -0.30 -0.04 0.00 -1.00 0.00 0.00 59.36 58.18 3fwc h GLU 87 Cb 0.50 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 3fwc h GLU 87 CO 0.02 0.95 -0.02 0.87 -1.00 0.00 0.00 179.01 179.83 3fwc h LYS 88 N 0.77 0.44 -0.89 2.33 1.57 -1.25 -3.22 116.57 116.32 3fwc h LYS 88 Ca 0.14 -0.15 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 3fwc h LYS 88 Cb 0.55 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.78 3fwc h LYS 88 CO 0.03 0.63 0.48 0.82 -0.57 0.00 0.00 179.45 180.84 3fwc h ILE 89 N 0.20 1.26 0.00 1.86 2.04 -1.16 0.32 117.51 122.03 3fwc h ILE 89 Ca 0.07 -0.66 0.00 0.00 1.00 0.00 0.00 64.86 65.27 3fwc h ILE 89 Cb 0.44 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.59 3fwc h ILE 89 CO 0.02 0.30 0.00 -0.07 0.00 0.00 0.00 178.15 178.39 3fwc h LEU 90 N 1.25 0.00 0.00 1.44 3.38 -1.50 -1.98 115.31 117.91 3fwc h LEU 90 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 3fwc h LEU 90 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3fwc h LEU 90 CO -0.05 0.00 -1.33 0.29 0.09 0.00 0.00 178.44 177.44 3fwc n LYS 91 N -2.95 0.47 -1.58 1.13 4.76 0.04 -4.98 118.16 115.05 3fwc n LYS 91 Ca -0.02 -0.04 -0.51 0.00 -2.87 0.00 0.00 58.31 54.88 3fwc n LYS 91 Cb 0.12 -1.62 -0.05 0.00 -1.84 0.00 0.00 35.03 31.64 3fwc n LYS 91 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 3fwc n ARG 92 N -2.20 1.09 -2.30 1.97 0.63 -0.74 -4.85 116.66 110.25 3fwc n ARG 92 Ca -0.00 0.39 -0.43 0.00 -0.92 0.00 0.00 57.85 56.89 3fwc n ARG 92 Cb 0.50 -1.94 -0.02 0.00 0.45 0.00 0.00 32.46 31.44 3fwc n ARG 92 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 3fwc s ASP 93 N 0.19 6.64 0.25 6.15 -1.08 -1.26 -4.91 116.67 122.65 3fwc s ASP 93 Ca 0.79 1.51 -0.03 0.00 -0.52 0.00 0.00 52.55 54.30 3fwc s ASP 93 Cb -0.92 -2.54 0.47 0.00 -1.46 0.00 0.00 42.92 38.48 3fwc s ASP 93 CO 0.50 -1.05 1.77 -0.65 0.52 0.00 0.00 175.17 176.26 3fwc h PRO 94 N 9.50 0.62 -0.21 4.34 0.11 -1.98 -1.79 132.00 142.58 3fwc h PRO 94 Ca -0.29 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 65.67 3fwc h PRO 94 Cb 1.12 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 3fwc h PRO 94 CO 1.00 0.41 -0.33 1.25 -0.21 0.00 0.00 178.00 180.12 3fwc h LEU 95 N 0.64 0.45 -0.30 2.35 5.85 -2.00 -2.93 115.31 119.37 3fwc h LEU 95 Ca 0.43 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.95 3fwc h LEU 95 Cb 0.55 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 3fwc h LEU 95 CO -0.33 0.76 0.10 0.44 -0.34 0.00 0.00 178.44 179.07 3fwc h ASP 96 N 0.37 0.44 -0.56 1.25 5.19 -1.74 -1.03 116.42 120.35 3fwc h ASP 96 Ca 0.04 -0.20 0.10 0.00 -0.62 0.00 0.00 57.03 56.36 3fwc h ASP 96 Cb 0.77 -0.11 -0.11 0.00 0.18 0.00 0.00 39.33 40.06 3fwc h ASP 96 CO 0.06 0.52 -0.29 -0.33 -3.12 0.00 0.00 179.24 176.08 3fwc h GLU 97 N 0.33 -0.14 -0.38 3.56 4.39 -1.44 -1.30 114.58 119.60 3fwc h GLU 97 Ca 0.10 0.01 -0.13 0.00 0.34 0.00 0.00 59.36 59.68 3fwc h GLU 97 Cb 0.24 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 3fwc h GLU 97 CO -0.00 -0.10 -0.29 0.82 -1.16 0.00 0.00 179.01 178.28 3fwc h ILE 98 N -0.15 1.28 -0.36 3.13 2.04 -1.24 -0.93 117.51 121.28 3fwc h ILE 98 Ca 0.24 -1.43 -0.06 0.00 1.00 0.00 0.00 64.86 64.60 3fwc h ILE 98 Cb 0.53 1.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.89 3fwc h ILE 98 CO -0.64 0.48 -0.02 0.11 0.00 0.00 0.00 178.15 178.07 3fwc h LYS 99 N 0.68 0.64 -0.43 2.37 1.57 -0.96 -0.75 116.57 119.70 3fwc h LYS 99 Ca 0.08 -0.22 0.04 0.00 -1.87 0.00 0.00 60.65 58.68 3fwc h LYS 99 Cb 0.83 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 33.04 3fwc h LYS 99 CO 0.07 0.77 0.20 -0.09 -0.57 0.00 0.00 179.45 179.83 3fwc h ARG 100 N 0.45 0.39 -0.76 3.15 9.65 -0.91 -1.16 114.38 125.20 3fwc h ARG 100 Ca 0.10 -0.02 0.07 0.00 -1.10 0.00 0.00 59.98 59.03 3fwc h ARG 100 Cb 0.49 -0.09 -0.06 0.00 -1.39 0.00 0.00 29.97 28.92 3fwc h ARG 100 CO 0.02 0.26 0.44 0.00 2.80 0.00 0.00 179.97 183.49 3fwc h ALA 101 N 1.24 1.05 -0.88 2.80 0.00 -1.00 0.74 119.26 123.21 3fwc h ALA 101 Ca 0.19 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3fwc h ALA 101 Cb 0.12 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 3fwc h ALA 101 CO -0.15 0.12 0.51 0.35 0.00 0.00 0.00 179.25 180.08 3fwc h PHE 102 N 0.78 1.18 -0.52 0.00 3.57 -0.48 -1.81 116.94 119.67 3fwc h PHE 102 Ca 0.35 -0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.76 3fwc h PHE 102 Cb 0.24 -0.38 -0.02 0.00 2.79 0.00 0.00 35.95 38.57 3fwc h PHE 102 CO -0.06 0.80 0.03 1.96 -2.23 0.00 0.00 178.31 178.81 3fwc h GLN 103 N 1.22 0.87 -0.24 1.11 4.20 -0.14 -1.80 115.11 120.32 3fwc h GLN 103 Ca 0.31 -0.23 -0.06 0.00 0.06 0.00 0.00 58.65 58.73 3fwc h GLN 103 Cb -0.01 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.65 3fwc h GLN 103 CO -0.05 0.85 -0.11 -0.07 -0.67 0.00 0.00 178.83 178.78 3fwc h LEU 104 N 0.81 0.38 0.06 1.46 3.38 -0.44 -3.17 115.31 117.78 3fwc h LEU 104 Ca 0.16 -0.09 -0.18 0.00 0.09 0.00 0.00 57.88 57.86 3fwc h LEU 104 Cb 0.45 -0.10 0.02 0.00 0.09 0.00 0.00 40.66 41.11 3fwc h LEU 104 CO 0.02 0.52 -0.75 -0.26 0.09 0.00 0.00 178.44 178.06 3fwc h PHE 105 N 0.37 0.64 -1.27 1.13 -1.00 -1.02 -3.35 116.94 112.43 3fwc h PHE 105 Ca 0.07 -0.39 -0.75 0.00 2.81 0.00 0.00 57.97 59.71 3fwc h PHE 105 Cb 0.42 -0.06 -0.14 0.00 3.61 0.00 0.00 35.95 39.78 3fwc h PHE 105 CO 0.01 1.24 2.13 -3.47 -1.61 0.00 0.00 178.31 176.61 3fwc n ASP 106 N -4.14 5.21 0.13 2.17 2.03 -0.71 -4.71 116.55 116.54 3fwc n ASP 106 Ca -0.12 -3.10 0.12 0.00 0.52 0.00 0.00 54.79 52.22 3fwc n ASP 106 Cb 0.76 -1.48 0.28 0.00 -0.72 0.00 0.00 41.12 39.95 3fwc n ASP 106 CO 0.00 0.00 0.00 -2.24 -1.92 0.00 0.00 177.20 173.04 3fwc h ASP 107 N 5.68 0.00 0.49 1.67 2.03 -1.71 -1.86 116.42 122.71 3fwc h ASP 107 Ca 0.43 -0.03 0.00 0.00 -0.73 0.00 0.00 57.03 56.70 3fwc h ASP 107 Cb 0.61 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.11 3fwc h ASP 107 CO 1.64 0.01 0.00 -0.90 -1.03 0.00 0.00 179.24 178.96 3fwc n ASP 108 N -2.53 0.00 -2.36 4.15 5.68 -1.26 -4.92 116.55 115.32 3fwc n ASP 108 Ca 0.04 -0.07 -0.19 0.00 -0.50 0.00 0.00 54.79 54.08 3fwc n ASP 108 Cb 0.47 -0.29 0.01 0.00 -1.14 0.00 0.00 41.12 40.17 3fwc n ASP 108 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 3fwc n HIS 109 N -1.29 -1.28 1.21 2.11 8.25 -0.70 -4.89 115.22 118.62 3fwc n HIS 109 Ca 0.12 0.22 0.09 0.00 -0.26 0.00 0.00 57.72 57.90 3fwc n HIS 109 Cb 0.20 -3.82 0.34 0.00 1.12 0.00 0.00 29.99 27.83 3fwc n HIS 109 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3fwc n THR 110 N -4.19 0.25 -1.33 1.59 -2.24 -1.26 -4.89 114.28 102.21 3fwc n THR 110 Ca -0.16 -0.35 -0.11 0.00 -2.27 0.00 0.00 64.05 61.16 3fwc n THR 110 Cb 0.64 0.30 -0.05 0.00 -2.10 0.00 0.00 70.33 69.12 3fwc n THR 110 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fwc n GLY 111 N 1.09 1.24 3.34 3.38 0.00 -1.26 -4.98 105.19 108.00 3fwc n GLY 111 Ca 0.15 -0.36 -0.13 0.00 0.00 0.00 0.00 46.02 45.69 3fwc n GLY 111 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fwc s LYS 112 N -2.88 0.51 -0.53 1.61 1.02 -1.26 -4.47 119.74 113.74 3fwc s LYS 112 Ca 0.00 0.65 -0.23 0.00 0.02 0.00 0.00 55.97 56.42 3fwc s LYS 112 Cb 0.00 0.22 0.05 0.00 -0.52 0.00 0.00 37.83 37.57 3fwc s LYS 112 CO 0.00 -0.08 0.84 0.42 -0.92 0.00 0.00 175.35 175.61 3fwc s ILE 113 N 0.41 4.55 0.68 2.17 1.01 0.29 -4.76 121.20 125.54 3fwc s ILE 113 Ca -0.01 0.06 -0.00 0.00 0.00 0.00 0.00 60.65 60.69 3fwc s ILE 113 Cb -0.04 -4.45 0.14 0.00 0.01 0.00 0.00 42.46 38.11 3fwc s ILE 113 CO -0.01 -1.00 0.94 -1.54 0.00 0.00 0.00 174.94 173.32 3fwc n SER 114 N 7.03 1.25 0.14 3.58 3.41 -1.26 -1.69 113.62 126.08 3fwc n SER 114 Ca -0.01 -2.06 0.01 0.00 -0.26 0.00 0.00 58.87 56.56 3fwc n SER 114 Cb 0.47 -0.61 0.13 0.00 -0.26 0.00 0.00 64.21 63.94 3fwc n SER 114 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 3fwc h ILE 115 N -0.60 1.11 0.08 -1.33 2.10 -1.96 -1.34 117.51 115.56 3fwc h ILE 115 Ca -0.31 -2.19 0.01 0.00 1.08 0.00 0.00 64.86 63.46 3fwc h ILE 115 Cb 1.14 2.29 -0.02 0.00 -1.09 0.00 0.00 36.82 39.14 3fwc h ILE 115 CO 0.33 0.55 -0.13 0.50 -1.08 0.00 0.00 178.15 178.33 3fwc h LYS 116 N 0.00 -0.25 0.27 2.19 3.64 -1.97 0.17 116.57 120.62 3fwc h LYS 116 Ca -0.01 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3fwc h LYS 116 Cb 1.25 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 33.10 3fwc h LYS 116 CO 0.07 -0.16 -0.29 -0.91 -2.27 0.00 0.00 179.45 175.89 3fwc h ASN 117 N -0.26 -0.77 -0.27 4.20 2.35 -1.83 -1.16 115.58 117.84 3fwc h ASN 117 Ca 0.02 0.07 0.03 0.00 -0.55 0.00 0.00 56.30 55.87 3fwc h ASN 117 Cb 0.27 0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.88 3fwc h ASN 117 CO -0.07 -0.41 0.10 0.25 -1.65 0.00 0.00 177.43 175.65 3fwc h LEU 118 N -0.59 0.11 -0.25 1.61 5.85 -1.14 -0.27 115.31 120.63 3fwc h LEU 118 Ca -0.01 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.78 3fwc h LEU 118 Cb 0.55 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 3fwc h LEU 118 CO -0.07 0.10 0.04 -0.09 -0.34 0.00 0.00 178.44 178.08 3fwc h ARG 119 N 0.22 0.12 -0.63 1.25 2.43 -0.62 -0.45 114.38 116.71 3fwc h ARG 119 Ca 0.12 -0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.35 3fwc h ARG 119 Cb 0.08 -0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.54 3fwc h ARG 119 CO -0.12 0.08 0.30 -0.09 -1.51 0.00 0.00 179.97 178.64 3fwc h ARG 120 N 0.13 0.53 -0.45 0.20 1.12 -0.56 -0.92 114.38 114.43 3fwc h ARG 120 Ca 0.12 -0.03 -0.07 0.00 -1.11 0.00 0.00 59.98 58.88 3fwc h ARG 120 Cb 0.13 -0.12 -0.02 0.00 -0.01 0.00 0.00 29.97 29.95 3fwc h ARG 120 CO -0.17 0.35 -0.03 0.28 -3.11 0.00 0.00 179.97 177.30 3fwc h VAL 121 N 0.55 1.24 -0.39 0.20 2.07 -0.40 -2.16 116.25 117.36 3fwc h VAL 121 Ca 0.30 -1.02 -0.02 0.00 0.82 0.00 0.00 66.70 66.78 3fwc h VAL 121 Cb 0.27 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 3fwc h VAL 121 CO -0.23 0.35 0.18 0.00 0.02 0.00 0.00 177.57 177.89 3fwc h ALA 122 N 1.27 0.50 0.25 1.67 0.00 0.16 -2.08 119.26 121.03 3fwc h ALA 122 Ca 0.13 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3fwc h ALA 122 Cb 0.47 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3fwc h ALA 122 CO 0.02 0.07 -0.13 -0.22 0.00 0.00 0.00 179.25 179.00 3fwc h LYS 123 N 0.48 -0.34 -0.91 0.00 1.63 -1.01 -1.40 116.57 115.03 3fwc h LYS 123 Ca 0.13 0.02 0.19 0.00 -0.85 0.00 0.00 60.65 60.14 3fwc h LYS 123 Cb 0.14 0.08 -0.07 0.00 -0.60 0.00 0.00 32.23 31.77 3fwc h LYS 123 CO -0.02 -0.22 0.59 0.93 -3.45 0.00 0.00 179.45 177.28 3fwc h GLU 124 N -0.35 0.49 -0.08 1.90 5.08 -1.21 0.68 114.58 121.08 3fwc h GLU 124 Ca -0.03 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3fwc h GLU 124 Cb 0.27 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.41 3fwc h GLU 124 CO 0.05 0.32 0.00 1.28 -1.00 0.00 0.00 179.01 179.66 3fwc n LEU 125 N -4.55 0.93 0.00 1.33 4.77 -0.80 -4.87 117.00 113.81 3fwc n LEU 125 Ca 0.19 -0.38 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 3fwc n LEU 125 Cb 0.64 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.68 3fwc n LEU 125 CO 0.29 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 3fwc n GLY 126 N 1.00 3.00 3.60 -0.72 0.00 0.23 -4.99 105.19 107.32 3fwc n GLY 126 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 3fwc n GLY 126 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3fwc n GLU 127 N -2.00 1.41 -3.90 1.61 -0.58 -0.56 -4.94 120.64 111.67 3fwc n GLU 127 Ca 0.00 0.50 -0.29 0.00 -0.42 0.00 0.00 57.16 56.95 3fwc n GLU 127 Cb 0.00 -1.93 -0.13 0.00 -0.57 0.00 0.00 31.44 28.81 3fwc n GLU 127 CO 0.00 0.00 0.00 -0.08 -0.48 0.00 0.00 177.13 176.57 3fwc s THR 128 N -1.13 2.57 -0.11 2.62 -1.32 -1.26 -4.18 115.64 112.83 3fwc s THR 128 Ca 0.59 -3.60 0.00 0.00 -1.21 0.00 0.00 61.69 57.48 3fwc s THR 128 Cb -0.65 -2.75 -0.02 0.00 -1.51 0.00 0.00 72.50 67.57 3fwc s THR 128 CO 0.59 -0.89 -0.10 -0.76 -2.21 0.00 0.00 174.62 171.25 3fwc s LEU 129 N -0.65 2.91 0.59 9.08 1.43 -1.26 -5.10 118.68 125.67 3fwc s LEU 129 Ca 0.20 -0.20 -0.20 0.00 -1.03 0.00 0.00 54.13 52.90 3fwc s LEU 129 Cb -0.18 -1.65 -0.03 0.00 0.03 0.00 0.00 46.19 44.36 3fwc s LEU 129 CO -0.06 0.24 1.27 0.42 0.23 0.00 0.00 176.35 178.45 3fwc s THR 130 N -0.08 2.32 0.39 5.49 -4.23 -1.26 -4.84 115.64 113.43 3fwc s THR 130 Ca -0.01 0.21 0.11 0.00 -1.18 0.00 0.00 61.69 60.83 3fwc s THR 130 Cb -0.14 -3.09 0.33 0.00 1.34 0.00 0.00 72.50 70.94 3fwc s THR 130 CO 0.03 -0.03 1.92 0.44 -0.54 0.00 0.00 174.62 176.45 3fwc h ASP 131 N 1.01 0.53 -0.53 3.99 5.19 -2.00 0.46 116.42 125.08 3fwc h ASP 131 Ca -0.51 0.02 0.09 0.00 -0.62 0.00 0.00 57.03 56.01 3fwc h ASP 131 Cb 1.31 -0.09 -0.07 0.00 0.18 0.00 0.00 39.33 40.66 3fwc h ASP 131 CO 0.55 0.30 0.15 -0.33 -3.12 0.00 0.00 179.24 176.79 3fwc h GLU 132 N 0.58 0.29 -0.28 3.56 5.08 -1.98 -1.14 114.58 120.69 3fwc h GLU 132 Ca 0.36 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.69 3fwc h GLU 132 Cb 0.62 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 3fwc h GLU 132 CO -0.13 0.19 0.10 0.93 -1.00 0.00 0.00 179.01 179.10 3fwc h GLU 133 N 0.30 0.42 -0.65 2.33 5.08 -1.27 -0.17 114.58 120.62 3fwc h GLU 133 Ca 0.27 -0.08 0.05 0.00 -1.00 0.00 0.00 59.36 58.60 3fwc h GLU 133 Cb 0.34 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.47 3fwc h GLU 133 CO -0.31 0.46 0.37 -0.07 -1.00 0.00 0.00 179.01 178.46 3fwc h LEU 134 N 0.29 0.56 -1.52 1.33 3.38 -1.29 -1.43 115.31 116.63 3fwc h LEU 134 Ca 0.09 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 3fwc h LEU 134 Cb 0.20 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3fwc h LEU 134 CO -0.01 0.37 -0.25 -0.09 0.09 0.00 0.00 178.44 178.56 3fwc h ARG 135 N 0.69 0.00 -0.38 1.13 2.43 -0.61 -1.25 114.38 116.39 3fwc h ARG 135 Ca 0.29 0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 59.30 3fwc h ARG 135 Cb 0.15 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 3fwc h ARG 135 CO -0.17 0.25 -0.37 0.00 -1.51 0.00 0.00 179.97 178.17 3fwc h ALA 136 N 1.75 0.56 -0.92 2.80 0.00 -0.25 -1.99 119.26 121.22 3fwc h ALA 136 Ca -0.00 -0.45 0.02 0.00 0.00 0.00 0.00 54.91 54.47 3fwc h ALA 136 Cb 0.51 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 3fwc h ALA 136 CO 0.03 0.66 0.61 0.52 0.00 0.00 0.00 179.25 181.07 3fwc h MET 137 N 0.75 1.18 -0.02 0.00 2.86 -0.22 -2.07 114.93 117.41 3fwc h MET 137 Ca 0.06 -0.07 -0.03 0.00 -2.06 0.00 0.00 59.70 57.60 3fwc h MET 137 Cb 0.97 -0.27 0.00 0.00 0.06 0.00 0.00 31.60 32.36 3fwc h MET 137 CO 0.09 0.78 -0.10 0.82 1.06 0.00 0.00 176.91 179.57 3fwc h ILE 138 N 1.22 1.52 -0.34 -1.22 2.04 -1.40 -3.25 117.51 116.08 3fwc h ILE 138 Ca 0.35 -1.66 0.06 0.00 1.00 0.00 0.00 64.86 64.60 3fwc h ILE 138 Cb -0.10 2.57 -0.02 0.00 -0.74 0.00 0.00 36.82 38.54 3fwc h ILE 138 CO -0.09 0.45 0.23 -0.08 0.00 0.00 0.00 178.15 178.66 3fwc h GLU 139 N -0.54 0.19 -0.42 2.37 4.81 -1.21 -1.21 114.58 118.58 3fwc h GLU 139 Ca -0.01 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.26 3fwc h GLU 139 Cb 0.78 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.09 3fwc h GLU 139 CO 0.02 0.13 0.28 1.49 -0.73 0.00 0.00 179.01 180.20 3fwc h GLU 140 N 0.20 0.33 0.00 1.92 4.81 -1.41 -3.13 114.58 117.31 3fwc h GLU 140 Ca 0.15 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 3fwc h GLU 140 Cb 0.34 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.65 3fwc h GLU 140 CO -0.03 0.22 0.00 1.19 -0.73 0.00 0.00 179.01 179.66 3fwc n PHE 141 N -4.48 0.00 -2.90 0.92 3.01 -0.67 -4.94 117.46 108.40 3fwc n PHE 141 Ca 0.05 -0.25 -0.44 0.00 1.01 0.00 0.00 57.45 57.83 3fwc n PHE 141 Cb 0.24 -0.02 -0.01 0.00 -0.01 0.00 0.00 39.48 39.67 3fwc n PHE 141 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 3fwc s ASP 142 N -0.49 6.85 0.14 4.37 2.15 -0.55 -4.85 116.67 124.30 3fwc s ASP 142 Ca 0.00 -2.51 -0.14 0.00 0.43 0.00 0.00 52.55 50.33 3fwc s ASP 142 Cb 0.00 -2.42 0.02 0.00 -0.30 0.00 0.00 42.92 40.22 3fwc s ASP 142 CO 0.00 -0.93 1.67 -0.07 -0.17 0.00 0.00 175.17 175.67 3fwc h LEU 143 N 10.29 0.66 -2.02 -1.34 3.38 -1.88 -2.49 115.31 121.91 3fwc h LEU 143 Ca 0.25 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3fwc h LEU 143 Cb 0.94 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.52 3fwc h LEU 143 CO 1.21 0.68 -0.06 0.44 0.09 0.00 0.00 178.44 180.80 3fwc h ASP 144 N 0.61 0.00 -3.48 -0.43 3.32 -1.90 -3.46 116.42 111.07 3fwc h ASP 144 Ca 0.15 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 57.00 3fwc h ASP 144 Cb 0.25 0.00 0.07 0.00 0.22 0.00 0.00 39.33 39.87 3fwc h ASP 144 CO -0.01 0.06 -0.35 0.61 -1.72 0.00 0.00 179.24 177.84 3fwc n GLY 145 N -1.25 0.18 0.75 2.75 0.00 -0.94 -4.95 105.19 101.74 3fwc n GLY 145 Ca -0.03 -0.20 0.07 0.00 0.00 0.00 0.00 46.02 45.86 3fwc n GLY 145 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3fwc n ASP 146 N -0.90 3.07 -0.06 1.61 5.75 -1.26 -4.97 116.55 119.79 3fwc n ASP 146 Ca -0.01 -1.98 -0.01 0.00 -0.01 0.00 0.00 54.79 52.78 3fwc n ASP 146 Cb 0.54 -0.27 -0.00 0.00 -1.03 0.00 0.00 41.12 40.36 3fwc n ASP 146 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3fwc n GLY 147 N 0.71 0.45 3.15 6.12 0.00 -1.26 -5.00 105.19 109.36 3fwc n GLY 147 Ca 0.14 -0.15 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 3fwc n GLY 147 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fwc s GLU 148 N -0.78 0.86 -0.17 1.61 2.02 -1.26 -4.46 118.70 116.51 3fwc s GLU 148 Ca 0.00 -1.38 0.01 0.00 0.02 0.00 0.00 54.97 53.62 3fwc s GLU 148 Cb 0.00 0.08 0.02 0.00 0.10 0.00 0.00 34.13 34.33 3fwc s GLU 148 CO 0.00 -0.16 -0.19 0.42 0.02 0.00 0.00 175.26 175.35 3fwc s ILE 149 N -3.88 1.99 0.69 -1.63 -1.09 -0.68 -4.76 121.20 111.83 3fwc s ILE 149 Ca 0.17 -0.90 0.01 0.00 -2.23 0.00 0.00 60.65 57.70 3fwc s ILE 149 Cb 0.07 -1.80 0.11 0.00 -1.58 0.00 0.00 42.46 39.27 3fwc s ILE 149 CO -0.02 0.53 0.95 0.54 -1.23 0.00 0.00 174.94 175.70 3fwc s ASN 150 N 1.25 4.53 0.17 3.58 2.20 -1.26 -0.55 114.94 124.86 3fwc s ASN 150 Ca 0.03 -0.38 -0.15 0.00 -0.94 0.00 0.00 52.86 51.43 3fwc s ASN 150 Cb -0.13 -0.08 0.06 0.00 -2.00 0.00 0.00 41.25 39.10 3fwc s ASN 150 CO -0.11 -1.73 1.82 -0.08 -2.94 0.00 0.00 177.10 174.06 3fwc h GLU 151 N -0.38 0.57 0.00 3.55 4.81 -1.99 -0.12 114.58 121.01 3fwc h GLU 151 Ca -0.36 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 58.79 3fwc h GLU 151 Cb 1.27 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.52 3fwc h GLU 151 CO 0.42 0.38 -0.21 -0.91 -0.73 0.00 0.00 179.01 177.95 3fwc h ASN 152 N 0.58 0.00 0.67 1.04 2.35 -1.98 0.33 115.58 118.58 3fwc h ASN 152 Ca 0.18 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.73 3fwc h ASN 152 Cb -0.02 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 3fwc h ASN 152 CO -0.07 0.21 -0.90 -0.33 -1.65 0.00 0.00 177.43 174.69 3fwc h GLU 153 N 0.00 0.14 0.05 0.81 5.08 -1.74 -2.90 114.58 116.02 3fwc h GLU 153 Ca -0.00 -0.17 -0.19 0.00 -1.00 0.00 0.00 59.36 58.00 3fwc h GLU 153 Cb 0.41 0.05 0.02 0.00 0.50 0.00 0.00 28.75 29.73 3fwc h GLU 153 CO 0.03 0.95 -0.79 0.35 -1.00 0.00 0.00 179.01 178.54 3fwc h PHE 154 N 0.07 0.69 -0.71 4.33 3.57 -0.30 -2.88 116.94 121.71 3fwc h PHE 154 Ca -0.04 -0.42 0.16 0.00 3.53 0.00 0.00 57.97 61.21 3fwc h PHE 154 Cb 1.55 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 40.18 3fwc h PHE 154 CO 0.02 1.26 0.49 0.82 -2.23 0.00 0.00 178.31 178.67 3fwc h ILE 155 N -0.07 0.75 -0.01 1.41 2.04 -0.42 -1.80 117.51 119.40 3fwc h ILE 155 Ca -0.11 -0.09 -0.00 0.00 1.00 0.00 0.00 64.86 65.65 3fwc h ILE 155 Cb 1.52 0.46 -0.00 0.00 -0.74 0.00 0.00 36.82 38.06 3fwc h ILE 155 CO 0.15 0.05 -0.00 0.00 0.00 0.00 0.00 178.15 178.35 3fwc h ALA 156 N 1.66 0.02 -0.96 1.87 0.00 -1.36 -2.54 119.26 117.95 3fwc h ALA 156 Ca 0.35 -0.20 0.20 0.00 0.00 0.00 0.00 54.91 55.27 3fwc h ALA 156 Cb 0.98 -0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.66 3fwc h ALA 156 CO -0.08 -0.29 0.54 0.82 0.00 0.00 0.00 179.25 180.24 3fwc h ILE 157 N -0.36 0.62 0.00 0.00 2.04 -1.14 -1.59 117.51 117.09 3fwc h ILE 157 Ca 0.00 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.65 3fwc h ILE 157 Cb 0.39 -0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.41 3fwc h ILE 157 CO 0.00 0.11 -0.16 0.00 0.00 0.00 0.00 178.15 178.10