#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fwc s LEU 13 N 0.00 4.28 0.00 1.53 1.43 -1.26 -4.80 118.68 119.86 3fwc s LEU 13 Ca 0.00 1.93 0.00 0.00 -1.03 0.00 0.00 54.13 55.03 3fwc s LEU 13 Cb 0.00 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.67 3fwc s LEU 13 CO 0.00 -0.68 0.77 -0.46 0.23 0.00 0.00 176.35 176.21 3fwc n ASN 14 N 5.57 0.00 -0.10 2.29 6.94 -1.26 -4.67 115.26 124.04 3fwc n ASN 14 Ca 0.13 -1.56 -0.11 0.00 -0.02 0.00 0.00 54.58 53.02 3fwc n ASN 14 Cb 0.45 -0.11 0.03 0.00 -2.36 0.00 0.00 39.78 37.79 3fwc n ASN 14 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 3fwc h SER 15 N 0.00 0.88 -0.38 0.53 0.02 -2.00 -3.21 113.55 109.40 3fwc h SER 15 Ca 0.00 -0.37 -0.02 0.00 -0.84 0.00 0.00 61.79 60.55 3fwc h SER 15 Cb 1.22 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.50 3fwc h SER 15 CO 0.00 1.13 0.02 -1.84 -1.14 0.00 0.00 176.83 174.99 3fwc n GLU 16 N -4.07 3.42 -2.47 3.45 0.00 -1.26 -4.92 120.64 114.78 3fwc n GLU 16 Ca -0.01 -2.96 -0.42 0.00 0.00 0.00 0.00 57.16 53.76 3fwc n GLU 16 Cb 0.50 -1.98 -0.02 0.00 0.00 0.00 0.00 31.44 29.94 3fwc n GLU 16 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 3fwc s LEU 17 N -2.85 3.52 0.61 -1.84 1.43 -1.22 -5.00 118.68 113.32 3fwc s LEU 17 Ca 0.46 0.43 -0.18 0.00 -1.03 0.00 0.00 54.13 53.82 3fwc s LEU 17 Cb 0.37 -3.33 -0.09 0.00 0.03 0.00 0.00 46.19 43.18 3fwc s LEU 17 CO 0.10 -1.48 0.39 0.18 0.23 0.00 0.00 176.35 175.78 3fwc n LEU 18 N 8.72 -0.04 -0.36 1.79 4.77 -1.26 -4.76 117.00 125.87 3fwc n LEU 18 Ca 0.13 0.67 0.03 0.00 -0.03 0.00 0.00 56.01 56.81 3fwc n LEU 18 Cb 0.49 -1.13 0.19 0.00 -2.33 0.00 0.00 43.42 40.64 3fwc n LEU 18 CO 0.71 -3.40 1.26 -0.08 -1.33 0.00 0.00 177.39 174.55 3fwc h GLU 19 N 0.02 1.11 0.00 3.23 4.57 -2.00 -1.36 114.58 120.15 3fwc h GLU 19 Ca -0.45 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 57.66 3fwc h GLU 19 Cb 1.39 -0.25 -0.00 0.00 -0.16 0.00 0.00 28.75 29.73 3fwc h GLU 19 CO 0.44 0.74 -0.04 1.49 -1.18 0.00 0.00 179.01 180.46 3fwc h GLU 20 N 1.14 0.00 0.19 1.92 4.81 -1.99 -1.68 114.58 118.98 3fwc h GLU 20 Ca 0.43 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 59.35 3fwc h GLU 20 Cb 0.19 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.59 3fwc h GLU 20 CO -0.17 0.04 -1.38 1.96 -0.73 0.00 0.00 179.01 178.73 3fwc h GLN 21 N 0.00 0.40 -0.77 1.92 4.20 -1.59 -2.91 115.11 116.36 3fwc h GLN 21 Ca -0.00 -0.69 0.07 0.00 0.06 0.00 0.00 58.65 58.09 3fwc h GLN 21 Cb 0.11 0.26 -0.05 0.00 0.30 0.00 0.00 27.48 28.10 3fwc h GLN 21 CO 0.01 1.33 0.51 0.87 -0.67 0.00 0.00 178.83 180.87 3fwc h LYS 22 N 0.11 0.80 0.00 1.46 1.79 -1.02 -1.50 116.57 118.21 3fwc h LYS 22 Ca -0.20 -0.05 -0.04 0.00 -2.18 0.00 0.00 60.65 58.18 3fwc h LYS 22 Cb 2.07 -0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 32.54 3fwc h LYS 22 CO 0.24 0.53 -0.19 0.37 -1.08 0.00 0.00 179.45 179.32 3fwc h GLN 23 N 0.82 0.00 0.01 3.15 5.75 -1.41 -2.11 115.11 121.33 3fwc h GLN 23 Ca 0.33 0.00 -0.24 0.00 -0.15 0.00 0.00 58.65 58.59 3fwc h GLN 23 Cb 0.25 0.00 0.01 0.00 1.07 0.00 0.00 27.48 28.81 3fwc h GLN 23 CO -0.12 0.19 -0.99 0.93 -2.65 0.00 0.00 178.83 176.19 3fwc h GLU 24 N 0.00 0.47 -0.35 1.69 5.08 -1.10 -2.20 114.58 118.18 3fwc h GLU 24 Ca -0.00 -0.52 -0.17 0.00 -1.00 0.00 0.00 59.36 57.66 3fwc h GLU 24 Cb 0.99 0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.39 3fwc h GLU 24 CO 0.02 1.17 -0.45 0.82 -1.00 0.00 0.00 179.01 179.58 3fwc h ILE 25 N 0.26 1.27 -0.17 3.13 2.04 -1.23 -2.22 117.51 120.59 3fwc h ILE 25 Ca -0.10 -1.62 -0.11 0.00 1.00 0.00 0.00 64.86 64.03 3fwc h ILE 25 Cb 1.63 1.47 0.00 0.00 -0.74 0.00 0.00 36.82 39.18 3fwc h ILE 25 CO 0.18 0.54 -0.31 0.22 0.00 0.00 0.00 178.15 178.78 3fwc h TYR 26 N 0.73 0.64 -0.27 1.37 3.20 -1.44 -2.47 116.97 118.72 3fwc h TYR 26 Ca 0.04 -0.23 -0.09 0.00 3.14 0.00 0.00 58.73 61.60 3fwc h TYR 26 Cb 1.05 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 39.19 3fwc h TYR 26 CO 0.07 0.94 -0.19 0.93 -1.64 0.00 0.00 178.16 178.27 3fwc h GLU 27 N 0.15 0.61 -0.27 1.82 5.08 -1.46 -1.66 114.58 118.85 3fwc h GLU 27 Ca 0.01 -0.29 0.03 0.00 -1.00 0.00 0.00 59.36 58.11 3fwc h GLU 27 Cb 0.90 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.11 3fwc h GLU 27 CO 0.07 0.88 0.06 0.00 -1.00 0.00 0.00 179.01 179.02 3fwc h ALA 28 N 0.71 0.28 -0.20 3.43 0.00 -1.48 -1.87 119.26 120.14 3fwc h ALA 28 Ca 0.05 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3fwc h ALA 28 Cb 0.73 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 3fwc h ALA 28 CO 0.05 -0.36 0.13 0.35 0.00 0.00 0.00 179.25 179.42 3fwc h PHE 29 N 0.16 0.25 -0.74 0.00 3.57 -1.37 -2.41 116.94 116.40 3fwc h PHE 29 Ca 0.12 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.68 3fwc h PHE 29 Cb 0.12 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 38.73 3fwc h PHE 29 CO -0.16 0.17 0.48 0.77 -2.23 0.00 0.00 178.31 177.35 3fwc h SER 30 N 0.25 0.72 -0.17 0.41 0.02 -1.05 -2.60 113.55 111.13 3fwc h SER 30 Ca 0.07 -0.00 0.04 0.00 -0.84 0.00 0.00 61.79 61.06 3fwc h SER 30 Cb -0.01 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.36 3fwc h SER 30 CO -0.01 0.48 0.12 0.25 -1.14 0.00 0.00 176.83 176.52 3fwc h LEU 31 N 0.82 0.06 -2.90 5.07 5.85 -0.81 -1.66 115.31 121.74 3fwc h LEU 31 Ca 0.31 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.03 3fwc h LEU 31 Cb 0.17 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.19 3fwc h LEU 31 CO -0.10 0.04 0.00 0.49 -0.34 0.00 0.00 178.44 178.53 3fwc n PHE 32 N -4.50 0.28 -2.26 1.25 3.01 -1.04 -4.76 117.46 109.44 3fwc n PHE 32 Ca 0.01 -0.49 -0.43 0.00 1.01 0.00 0.00 57.45 57.55 3fwc n PHE 32 Cb 0.20 -0.04 0.00 0.00 -0.01 0.00 0.00 39.48 39.64 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 0.13 4.55 0.42 4.37 4.64 -0.63 -4.78 116.55 125.25 3fwc n ASP 33 Ca 0.07 -2.91 -0.18 0.00 -1.38 0.00 0.00 54.79 50.40 3fwc n ASP 33 Cb 0.35 -1.68 -0.09 0.00 -1.04 0.00 0.00 41.12 38.67 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 6.80 -1.04 -1.03 -0.67 2.86 -1.86 -2.39 114.93 117.60 3fwc h MET 34 Ca 0.48 0.07 0.26 0.00 -2.06 0.00 0.00 59.70 58.46 3fwc h MET 34 Cb 0.76 0.24 -0.09 0.00 0.06 0.00 0.00 31.60 32.57 3fwc h MET 34 CO 1.62 -0.68 0.66 -0.91 1.06 0.00 0.00 176.91 178.67 3fwc h ASN 35 N -1.20 0.45 -0.74 1.22 2.35 -1.89 -3.45 115.58 112.31 3fwc h ASN 35 Ca -0.11 0.08 -0.25 0.00 -0.55 0.00 0.00 56.30 55.47 3fwc h ASN 35 Cb 0.84 0.01 -0.09 0.00 0.05 0.00 0.00 38.32 39.13 3fwc h ASN 35 CO 0.18 0.10 -0.24 -3.20 -1.65 0.00 0.00 177.43 172.62 3fwc n ASN 36 N -4.62 -4.41 -0.30 5.81 2.85 -0.90 -4.88 115.26 108.82 3fwc n ASN 36 Ca 0.25 0.26 0.12 0.00 -0.11 0.00 0.00 54.58 55.10 3fwc n ASN 36 Cb 0.86 -3.08 0.53 0.00 1.24 0.00 0.00 39.78 39.34 3fwc n ASN 36 CO 0.00 0.00 0.00 -0.90 -2.11 0.00 0.00 177.26 174.25 3fwc n ASP 37 N -0.04 0.90 -0.30 1.20 5.68 -1.26 -4.91 116.55 117.82 3fwc n ASP 37 Ca -0.13 -1.49 -0.03 0.00 -0.50 0.00 0.00 54.79 52.65 3fwc n ASP 37 Cb 0.43 -0.04 -0.01 0.00 -1.14 0.00 0.00 41.12 40.37 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 1.02 0.39 3.00 6.12 0.00 -1.26 -5.04 105.19 109.41 3fwc n GLY 38 Ca 0.17 -0.83 -0.12 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.13 0.43 -0.02 1.61 0.40 -1.26 -3.24 117.98 113.77 3fwc s PHE 39 Ca 0.00 -0.39 0.07 0.00 -0.60 0.00 0.00 56.93 56.01 3fwc s PHE 39 Cb 0.00 -0.27 -0.02 0.00 0.51 0.00 0.00 43.02 43.23 3fwc s PHE 39 CO 0.00 -0.10 -0.23 -0.51 0.70 0.00 0.00 175.22 175.08 3fwc s LEU 40 N -1.14 2.22 0.00 -0.37 1.43 -1.09 -4.79 118.68 114.94 3fwc s LEU 40 Ca -0.09 -0.43 0.00 0.00 -1.03 0.00 0.00 54.13 52.58 3fwc s LEU 40 Cb -0.08 -1.38 0.00 0.00 0.03 0.00 0.00 46.19 44.76 3fwc s LEU 40 CO -0.00 0.32 0.00 -0.90 0.23 0.00 0.00 176.35 175.99 3fwc n ASP 41 N 2.30 0.00 0.22 2.29 5.75 -1.26 -1.81 116.55 124.04 3fwc n ASP 41 Ca -0.16 -0.97 -0.15 0.00 -0.01 0.00 0.00 54.79 53.49 3fwc n ASP 41 Cb 0.51 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.52 3fwc n ASP 41 CO 0.00 0.00 0.00 0.22 -0.11 0.00 0.00 177.20 177.31 3fwc h TYR 42 N -0.30 -0.48 0.00 2.11 3.20 -1.99 -0.91 116.97 118.60 3fwc h TYR 42 Ca 0.00 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.82 3fwc h TYR 42 Cb 0.00 0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.42 3fwc h TYR 42 CO 0.00 -0.26 -0.19 0.45 -1.64 0.00 0.00 178.16 176.52 3fwc h HIS 43 N -0.59 0.00 -0.03 -3.82 3.86 -1.99 -0.75 115.15 111.83 3fwc h HIS 43 Ca -0.05 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 59.01 3fwc h HIS 43 Cb 0.44 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.92 3fwc h HIS 43 CO -0.03 0.19 -0.56 0.93 0.86 0.00 0.00 177.93 179.31 3fwc h GLU 44 N 0.00 0.43 0.36 2.45 5.08 -1.88 -3.17 114.58 117.86 3fwc h GLU 44 Ca -0.00 -0.43 -0.02 0.00 -1.00 0.00 0.00 59.36 57.91 3fwc h GLU 44 Cb 0.66 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.03 3fwc h GLU 44 CO 0.02 1.08 -0.17 1.25 -1.00 0.00 0.00 179.01 180.19 3fwc h LEU 45 N -0.05 -0.41 -0.84 1.33 5.85 -0.90 0.14 115.31 120.44 3fwc h LEU 45 Ca -0.06 -0.07 0.21 0.00 0.84 0.00 0.00 57.88 58.80 3fwc h LEU 45 Cb 1.25 0.11 -0.14 0.00 0.37 0.00 0.00 40.66 42.25 3fwc h LEU 45 CO 0.11 -0.19 0.18 0.50 -0.34 0.00 0.00 178.44 178.71 3fwc h LYS 46 N -0.62 0.19 0.00 1.25 3.64 -1.28 0.12 116.57 119.87 3fwc h LYS 46 Ca -0.05 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.26 3fwc h LYS 46 Cb 0.45 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 3fwc h LYS 46 CO 0.08 0.13 -0.74 0.28 -2.27 0.00 0.00 179.45 176.93 3fwc h VAL 47 N 0.20 0.32 -0.20 2.00 2.07 -1.48 -2.85 116.25 116.31 3fwc h VAL 47 Ca 0.51 -1.52 -0.14 0.00 0.82 0.00 0.00 66.70 66.37 3fwc h VAL 47 Cb 0.97 1.96 -0.01 0.00 -1.52 0.00 0.00 31.29 32.70 3fwc h VAL 47 CO -0.64 0.18 -0.46 0.00 0.02 0.00 0.00 177.57 176.68 3fwc h ALA 48 N 1.75 0.83 -0.21 1.67 0.00 0.11 -2.41 119.26 121.00 3fwc h ALA 48 Ca -0.04 -0.46 -0.09 0.00 0.00 0.00 0.00 54.91 54.32 3fwc h ALA 48 Cb 1.23 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 3fwc h ALA 48 CO 0.03 0.66 -0.24 0.52 0.00 0.00 0.00 179.25 180.21 3fwc h MET 49 N 0.41 0.38 0.00 0.00 2.07 -1.06 -2.84 114.93 113.89 3fwc h MET 49 Ca 0.03 -0.13 -0.01 0.00 -2.07 0.00 0.00 59.70 57.51 3fwc h MET 49 Cb 0.96 -0.03 -0.00 0.00 -1.87 0.00 0.00 31.60 30.66 3fwc h MET 49 CO 0.09 0.61 -0.04 -0.22 1.07 0.00 0.00 176.91 178.41 3fwc h LYS 50 N 0.34 0.00 -0.00 1.72 3.64 -1.18 -0.90 116.57 120.19 3fwc h LYS 50 Ca 0.05 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3fwc h LYS 50 Cb 0.62 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.44 3fwc h LYS 50 CO 0.04 0.04 -0.04 0.00 -2.27 0.00 0.00 179.45 177.22 3fwc n ALA 51 N -2.11 2.49 -0.74 5.00 0.00 -1.00 -2.57 120.51 121.58 3fwc n ALA 51 Ca 0.01 -0.14 0.08 0.00 0.00 0.00 0.00 53.44 53.38 3fwc n ALA 51 Cb 0.34 -1.44 0.24 0.00 0.00 0.00 0.00 19.45 18.59 3fwc n ALA 51 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3fwc n LEU 52 N -1.41 3.73 -0.23 0.00 4.77 -0.78 -4.97 117.00 118.11 3fwc n LEU 52 Ca 0.09 -2.70 -0.03 0.00 -0.03 0.00 0.00 56.01 53.35 3fwc n LEU 52 Cb 0.31 -0.46 -0.01 0.00 -2.33 0.00 0.00 43.42 40.92 3fwc n LEU 52 CO 0.26 0.70 -0.03 0.61 -1.33 0.00 0.00 177.39 177.60 3fwc n GLY 53 N -0.09 0.59 3.53 -0.72 0.00 -1.06 -5.01 105.19 102.43 3fwc n GLY 53 Ca 0.19 -0.34 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.94 3.07 -0.12 1.61 0.08 -0.41 -4.99 117.98 115.28 3fwc s PHE 54 Ca 0.00 -0.20 -0.00 0.00 0.12 0.00 0.00 56.93 56.85 3fwc s PHE 54 Cb 0.00 -1.96 0.02 0.00 -0.57 0.00 0.00 43.02 40.51 3fwc s PHE 54 CO 0.00 0.04 -0.09 -1.21 -0.10 0.00 0.00 175.22 173.86 3fwc s GLU 55 N 0.27 1.64 0.18 0.44 2.02 -1.26 -2.60 118.70 119.39 3fwc s GLU 55 Ca -0.02 -0.30 0.09 0.00 0.02 0.00 0.00 54.97 54.76 3fwc s GLU 55 Cb -0.14 -1.65 -0.04 0.00 0.10 0.00 0.00 34.13 32.40 3fwc s GLU 55 CO 0.02 -0.25 -0.19 -0.51 0.02 0.00 0.00 175.26 174.36 3fwc s LEU 56 N 1.62 2.46 0.85 1.80 1.43 -1.26 -5.13 118.68 120.44 3fwc s LEU 56 Ca 0.04 -0.89 -0.12 0.00 -1.03 0.00 0.00 54.13 52.13 3fwc s LEU 56 Cb -0.13 -0.90 0.11 0.00 0.03 0.00 0.00 46.19 45.30 3fwc s LEU 56 CO -0.08 -0.01 1.18 -2.84 0.23 0.00 0.00 176.35 174.83 3fwc s PRO 57 N -2.92 1.42 0.16 1.29 0.02 -1.26 -4.85 135.00 128.86 3fwc s PRO 57 Ca 0.19 1.66 -0.16 0.00 0.02 0.00 0.00 61.00 62.71 3fwc s PRO 57 Cb -0.06 -1.76 0.08 0.00 0.02 0.00 0.00 34.50 32.79 3fwc s PRO 57 CO 0.08 -2.35 1.74 0.87 -0.33 0.00 0.00 177.00 177.01 3fwc h LYS 58 N -1.27 0.26 -0.04 5.54 1.57 -2.00 -2.66 116.57 117.96 3fwc h LYS 58 Ca -0.45 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.35 3fwc h LYS 58 Cb 1.28 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 33.50 3fwc h LYS 58 CO 0.45 0.17 -0.18 0.00 -0.57 0.00 0.00 179.45 179.32 3fwc h ARG 59 N 0.27 -0.26 -0.81 3.15 3.08 -1.99 -1.68 114.38 116.13 3fwc h ARG 59 Ca 0.18 0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.30 3fwc h ARG 59 Cb 0.17 0.06 -0.06 0.00 0.08 0.00 0.00 29.97 30.22 3fwc h ARG 59 CO -0.20 -0.17 0.50 0.93 -1.07 0.00 0.00 179.97 179.97 3fwc h GLU 60 N -0.27 0.91 -0.69 0.04 5.08 -1.89 0.09 114.58 117.85 3fwc h GLU 60 Ca 0.07 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 3fwc h GLU 60 Cb 0.36 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 3fwc h GLU 60 CO -0.20 0.60 0.33 0.82 -1.00 0.00 0.00 179.01 179.57 3fwc h ILE 61 N 0.93 1.23 -0.52 3.13 2.04 -1.12 -0.32 117.51 122.89 3fwc h ILE 61 Ca 0.35 -0.63 -0.07 0.00 1.00 0.00 0.00 64.86 65.50 3fwc h ILE 61 Cb 0.13 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 36.57 3fwc h ILE 61 CO -0.16 0.26 0.04 -0.07 0.00 0.00 0.00 178.15 178.23 3fwc h LEU 62 N 0.95 0.81 -0.76 1.44 3.38 -0.37 -2.41 115.31 118.36 3fwc h LEU 62 Ca 0.24 -0.19 -0.12 0.00 0.09 0.00 0.00 57.88 57.90 3fwc h LEU 62 Cb 0.11 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3fwc h LEU 62 CO -0.03 0.86 -0.40 0.44 0.09 0.00 0.00 178.44 179.40 3fwc h ASP 63 N 0.80 0.49 0.19 -0.43 3.32 -0.43 -1.02 116.42 119.35 3fwc h ASP 63 Ca 0.16 -0.21 -0.05 0.00 0.02 0.00 0.00 57.03 56.94 3fwc h ASP 63 Cb 0.42 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 3fwc h ASP 63 CO 0.01 0.84 -0.22 -0.07 -1.72 0.00 0.00 179.24 178.08 3fwc h LEU 64 N 0.39 0.06 0.13 1.55 3.38 -0.86 -1.42 115.31 118.53 3fwc h LEU 64 Ca 0.04 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3fwc h LEU 64 Cb 0.87 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.60 3fwc h LEU 64 CO 0.07 0.29 -0.06 0.40 0.09 0.00 0.00 178.44 179.23 3fwc h ILE 65 N 0.06 1.03 -0.86 1.22 2.04 -0.82 -3.03 117.51 117.15 3fwc h ILE 65 Ca 0.01 -1.04 0.11 0.00 1.00 0.00 0.00 64.86 64.94 3fwc h ILE 65 Cb 0.44 1.64 -0.06 0.00 -0.74 0.00 0.00 36.82 38.10 3fwc h ILE 65 CO 0.03 0.23 0.55 0.44 0.00 0.00 0.00 178.15 179.41 3fwc h ASP 66 N -0.70 0.70 -0.58 1.72 5.19 -1.12 -2.04 116.42 119.58 3fwc h ASP 66 Ca -0.02 0.03 -0.02 0.00 -0.62 0.00 0.00 57.03 56.40 3fwc h ASP 66 Cb 0.52 -0.12 -0.03 0.00 0.18 0.00 0.00 39.33 39.89 3fwc h ASP 66 CO 0.03 0.39 0.29 -0.08 -3.12 0.00 0.00 179.24 176.75 3fwc h GLU 67 N 0.76 0.83 -0.64 3.56 4.81 -1.22 -2.74 114.58 119.94 3fwc h GLU 67 Ca 0.41 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.52 3fwc h GLU 67 Cb 0.54 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.76 3fwc h GLU 67 CO -0.17 0.67 0.00 0.66 -0.73 0.00 0.00 179.01 179.43 3fwc n TYR 68 N -4.55 1.16 -1.76 0.92 4.01 -0.98 -4.80 117.16 111.16 3fwc n TYR 68 Ca 0.03 -0.56 -0.42 0.00 -0.16 0.00 0.00 57.90 56.79 3fwc n TYR 68 Cb 0.12 -0.13 -0.00 0.00 -0.31 0.00 0.00 39.34 39.02 3fwc n TYR 68 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3fwc n ASP 69 N 1.22 4.58 -0.00 7.72 -0.08 -0.80 -4.80 116.55 124.38 3fwc n ASP 69 Ca 0.24 -2.85 -0.01 0.00 -1.51 0.00 0.00 54.79 50.66 3fwc n ASP 69 Cb 0.74 -1.62 -0.00 0.00 2.34 0.00 0.00 41.12 42.57 3fwc n ASP 69 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 3fwc h SER 70 N 5.84 -0.09 -3.07 1.67 0.02 -1.87 -3.42 113.55 112.63 3fwc h SER 70 Ca 0.58 0.01 -0.30 0.00 -0.84 0.00 0.00 61.79 61.25 3fwc h SER 70 Cb 0.60 0.04 0.14 0.00 0.14 0.00 0.00 62.40 63.31 3fwc h SER 70 CO 1.84 -0.02 0.18 -0.62 -1.14 0.00 0.00 176.83 177.08 3fwc n GLU 71 N -2.76 -1.84 0.00 3.45 1.02 -1.26 -4.95 120.64 114.30 3fwc n GLU 71 Ca -0.00 -1.37 0.14 0.00 -0.02 0.00 0.00 57.16 55.91 3fwc n GLU 71 Cb 0.02 -1.10 0.65 0.00 -0.02 0.00 0.00 31.44 30.98 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 -2.13 -1.46 3.33 0.62 0.00 -1.26 -4.89 105.19 99.40 3fwc n GLY 72 Ca 0.12 -0.11 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 3fwc n GLY 72 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fwc n ARG 73 N -1.46 -3.43 -1.25 1.61 5.12 -1.26 -4.94 116.66 111.05 3fwc n ARG 73 Ca 0.08 -1.00 -0.11 0.00 -1.93 0.00 0.00 57.85 54.89 3fwc n ARG 73 Cb 0.32 -2.00 0.13 0.00 -1.16 0.00 0.00 32.46 29.75 3fwc n ARG 73 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 3fwc n HIS 74 N -5.29 1.58 -3.55 -1.55 8.25 -1.26 -4.97 115.22 108.43 3fwc n HIS 74 Ca 0.06 -1.92 -0.01 0.00 -0.26 0.00 0.00 57.72 55.59 3fwc n HIS 74 Cb 0.56 -0.45 -0.00 0.00 1.12 0.00 0.00 29.99 31.22 3fwc n HIS 74 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3fwc n LEU 75 N -0.95 0.00 -3.61 2.41 4.32 -1.26 -4.51 117.00 113.39 3fwc n LEU 75 Ca 0.36 -0.11 -0.15 0.00 -0.02 0.00 0.00 56.01 56.09 3fwc n LEU 75 Cb 0.89 -0.00 -0.14 0.00 -1.62 0.00 0.00 43.42 42.55 3fwc n LEU 75 CO 0.25 -0.25 -0.17 -0.32 -1.22 0.00 0.00 177.39 175.68 3fwc s MET 76 N -2.08 0.14 0.52 3.23 -2.45 -0.75 -4.76 119.30 113.14 3fwc s MET 76 Ca 0.01 0.55 -0.20 0.00 -1.25 0.00 0.00 55.69 54.80 3fwc s MET 76 Cb -0.00 -0.43 -0.07 0.00 1.25 0.00 0.00 34.83 35.58 3fwc s MET 76 CO 0.01 -0.40 1.09 -1.59 1.05 0.00 0.00 175.02 175.18 3fwc s LYS 77 N 2.37 3.54 0.43 4.11 -2.85 -1.26 -2.67 119.74 123.41 3fwc s LYS 77 Ca 0.04 1.52 0.19 0.00 -1.00 0.00 0.00 55.97 56.71 3fwc s LYS 77 Cb -0.13 -2.05 1.12 0.00 -2.06 0.00 0.00 37.83 34.71 3fwc s LYS 77 CO -0.09 -0.68 1.85 -0.92 0.10 0.00 0.00 175.35 175.61 3fwc h TYR 78 N 1.37 0.51 -0.31 1.78 3.20 -1.96 0.83 116.97 122.38 3fwc h TYR 78 Ca -0.50 0.02 0.06 0.00 3.14 0.00 0.00 58.73 61.45 3fwc h TYR 78 Cb 1.25 -0.15 -0.06 0.00 1.54 0.00 0.00 36.73 39.31 3fwc h TYR 78 CO 0.53 0.12 -0.04 -0.44 -1.64 0.00 0.00 178.16 176.69 3fwc h ASP 79 N 0.37 -0.22 -0.28 -2.11 3.32 -1.91 0.29 116.42 115.88 3fwc h ASP 79 Ca 0.48 0.08 -0.12 0.00 0.02 0.00 0.00 57.03 57.49 3fwc h ASP 79 Cb 1.26 0.16 -0.00 0.00 0.22 0.00 0.00 39.33 40.97 3fwc h ASP 79 CO -0.17 -0.07 -0.30 0.44 -1.72 0.00 0.00 179.24 177.41 3fwc h ASP 80 N 0.04 0.75 0.10 6.45 3.32 -1.25 -2.39 116.42 123.44 3fwc h ASP 80 Ca 0.15 -0.48 0.00 0.00 0.02 0.00 0.00 57.03 56.72 3fwc h ASP 80 Cb 0.22 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.56 3fwc h ASP 80 CO -0.29 1.08 0.00 0.15 -1.72 0.00 0.00 179.24 178.45 3fwc h PHE 81 N 0.44 0.00 0.20 4.55 3.57 -0.92 -1.57 116.94 123.21 3fwc h PHE 81 Ca 0.04 0.00 -0.33 0.00 3.53 0.00 0.00 57.97 61.21 3fwc h PHE 81 Cb 0.87 0.00 0.02 0.00 2.79 0.00 0.00 35.95 39.63 3fwc h PHE 81 CO 0.07 0.00 -1.59 -0.92 -2.23 0.00 0.00 178.31 173.65 3fwc h TYR 82 N 0.00 0.77 0.27 0.41 3.20 -0.43 -2.97 116.97 118.23 3fwc h TYR 82 Ca 0.00 -0.56 -0.01 0.00 3.14 0.00 0.00 58.73 61.29 3fwc h TYR 82 Cb 0.05 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.29 3fwc h TYR 82 CO 0.00 1.62 -0.13 0.82 -1.64 0.00 0.00 178.16 178.83 3fwc h ILE 83 N 0.05 0.77 -0.75 1.81 2.04 -1.08 -1.14 117.51 119.23 3fwc h ILE 83 Ca -0.30 -0.43 0.10 0.00 1.00 0.00 0.00 64.86 65.22 3fwc h ILE 83 Cb 2.07 1.01 -0.07 0.00 -0.74 0.00 0.00 36.82 39.09 3fwc h ILE 83 CO 0.20 0.09 0.39 0.58 0.00 0.00 0.00 178.15 179.41 3fwc h VAL 84 N -0.59 0.86 0.00 1.67 2.07 -1.56 -2.12 116.25 116.57 3fwc h VAL 84 Ca -0.04 -0.22 -0.17 0.00 0.82 0.00 0.00 66.70 67.09 3fwc h VAL 84 Cb 0.43 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 3fwc h VAL 84 CO 0.06 0.12 -0.82 0.24 0.02 0.00 0.00 177.57 177.19 3fwc h MET 85 N 0.65 0.00 -0.46 1.57 2.86 -1.51 -2.71 114.93 115.33 3fwc h MET 85 Ca 0.37 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.88 3fwc h MET 85 Cb 0.38 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.03 3fwc h MET 85 CO -0.27 0.82 -0.23 0.78 1.06 0.00 0.00 176.91 179.08 3fwc h GLY 86 N 3.08 1.05 0.89 8.32 0.00 -1.01 -1.71 103.07 113.68 3fwc h GLY 86 Ca -0.01 -0.95 -0.04 0.00 0.00 0.00 0.00 47.33 46.33 3fwc h GLY 86 CO 0.11 0.86 -0.43 0.83 0.00 0.00 0.00 176.54 177.91 3fwc h GLU 87 N 0.81 -1.15 -0.79 4.80 5.08 -1.39 -2.29 114.58 119.66 3fwc h GLU 87 Ca 0.10 0.08 0.18 0.00 -1.00 0.00 0.00 59.36 58.72 3fwc h GLU 87 Cb 0.81 0.26 -0.05 0.00 0.50 0.00 0.00 28.75 30.27 3fwc h GLU 87 CO 0.07 -0.76 0.54 0.87 -1.00 0.00 0.00 179.01 178.72 3fwc h LYS 88 N -1.22 0.27 -0.07 2.33 1.57 -1.52 -2.08 116.57 115.85 3fwc h LYS 88 Ca -0.12 -0.02 -0.20 0.00 -1.87 0.00 0.00 60.65 58.44 3fwc h LYS 88 Cb 0.91 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.16 3fwc h LYS 88 CO 0.20 0.18 -0.79 0.82 -0.57 0.00 0.00 179.45 179.29 3fwc h ILE 89 N 0.28 1.36 -0.43 1.86 2.04 -1.08 -2.89 117.51 118.65 3fwc h ILE 89 Ca 0.39 -2.17 -0.11 0.00 1.00 0.00 0.00 64.86 63.97 3fwc h ILE 89 Cb 1.11 2.15 -0.02 0.00 -0.74 0.00 0.00 36.82 39.33 3fwc h ILE 89 CO -0.10 0.66 -0.17 -0.07 0.00 0.00 0.00 178.15 178.46 3fwc h LEU 90 N 0.32 0.82 -0.46 1.44 3.38 -0.81 -2.71 115.31 117.29 3fwc h LEU 90 Ca -0.05 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.65 3fwc h LEU 90 Cb 1.39 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.91 3fwc h LEU 90 CO 0.14 0.99 0.00 0.29 0.09 0.00 0.00 178.44 179.95 3fwc n LYS 91 N -4.13 0.95 -2.84 1.13 4.76 -0.99 -4.87 118.16 112.17 3fwc n LYS 91 Ca 0.01 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 55.04 3fwc n LYS 91 Cb 0.41 -1.22 -0.04 0.00 -1.84 0.00 0.00 35.03 32.34 3fwc n LYS 91 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 3fwc s ARG 92 N -1.54 4.51 -0.39 1.97 3.52 -1.03 -4.96 118.95 121.03 3fwc s ARG 92 Ca 0.00 1.21 -0.31 0.00 -0.13 0.00 0.00 55.73 56.50 3fwc s ARG 92 Cb 0.00 -3.46 -0.10 0.00 -1.56 0.00 0.00 34.95 29.83 3fwc s ARG 92 CO 0.00 -0.02 2.29 -3.47 -0.81 0.00 0.00 175.30 173.28 3fwc n ASP 93 N 3.91 2.31 0.27 -2.12 -0.08 -1.26 -4.81 116.55 114.76 3fwc n ASP 93 Ca 0.03 0.15 0.12 0.00 -1.51 0.00 0.00 54.79 53.59 3fwc n ASP 93 Cb 0.51 -1.38 0.74 0.00 2.34 0.00 0.00 41.12 43.34 3fwc n ASP 93 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3fwc h PRO 94 N 14.51 0.00 0.09 -0.67 0.11 -1.96 -2.25 132.00 141.83 3fwc h PRO 94 Ca -0.28 0.00 -0.33 0.00 0.11 0.00 0.00 66.00 65.50 3fwc h PRO 94 Cb 1.29 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.38 3fwc h PRO 94 CO 1.06 0.10 -1.81 1.25 -0.21 0.00 0.00 178.00 178.40 3fwc h LEU 95 N 0.00 0.30 -1.46 2.35 5.85 -1.99 -2.47 115.31 117.89 3fwc h LEU 95 Ca -0.00 -0.59 -0.05 0.00 0.84 0.00 0.00 57.88 58.08 3fwc h LEU 95 Cb 0.28 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 3fwc h LEU 95 CO 0.01 1.52 -0.19 0.44 -0.34 0.00 0.00 178.44 179.88 3fwc h ASP 96 N 0.05 0.11 0.03 1.25 5.19 -1.89 0.67 116.42 121.84 3fwc h ASP 96 Ca -0.34 -0.02 -0.00 0.00 -0.62 0.00 0.00 57.03 56.04 3fwc h ASP 96 Cb 2.03 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 41.51 3fwc h ASP 96 CO 0.10 0.31 -0.01 -0.08 -3.12 0.00 0.00 179.24 176.44 3fwc h GLU 97 N 0.11 -0.04 -0.63 3.56 4.57 -1.40 -1.31 114.58 119.44 3fwc h GLU 97 Ca 0.02 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.14 3fwc h GLU 97 Cb 0.40 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.98 3fwc h GLU 97 CO 0.03 0.15 0.13 0.82 -1.18 0.00 0.00 179.01 178.96 3fwc h ILE 98 N -0.23 1.26 -0.14 2.32 2.04 -1.04 -1.91 117.51 119.82 3fwc h ILE 98 Ca -0.00 -0.97 -0.08 0.00 1.00 0.00 0.00 64.86 64.81 3fwc h ILE 98 Cb 0.21 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 3fwc h ILE 98 CO 0.01 0.36 -0.25 0.11 0.00 0.00 0.00 178.15 178.37 3fwc h LYS 99 N 0.93 0.25 -0.08 2.37 1.57 -0.83 -2.04 116.57 118.75 3fwc h LYS 99 Ca 0.19 -0.08 -0.17 0.00 -1.87 0.00 0.00 60.65 58.72 3fwc h LYS 99 Cb 0.39 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 32.69 3fwc h LYS 99 CO 0.01 0.49 -0.61 -0.09 -0.57 0.00 0.00 179.45 178.68 3fwc h ARG 100 N 0.23 0.56 -0.97 3.15 2.43 -0.99 -2.33 114.38 116.45 3fwc h ARG 100 Ca 0.04 -0.49 0.10 0.00 -0.81 0.00 0.00 59.98 58.81 3fwc h ARG 100 Cb 0.58 0.11 -0.07 0.00 -0.42 0.00 0.00 29.97 30.17 3fwc h ARG 100 CO 0.04 1.12 0.62 0.00 -1.51 0.00 0.00 179.97 180.24 3fwc h ALA 101 N 0.45 1.53 0.18 2.80 0.00 -1.13 -1.57 119.26 121.51 3fwc h ALA 101 Ca -0.05 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3fwc h ALA 101 Cb 1.27 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3fwc h ALA 101 CO 0.12 0.27 -0.08 0.35 0.00 0.00 0.00 179.25 179.91 3fwc h PHE 102 N 1.01 -0.22 -0.74 0.00 3.57 -1.20 -1.68 116.94 117.68 3fwc h PHE 102 Ca 0.46 -0.01 0.15 0.00 3.53 0.00 0.00 57.97 62.10 3fwc h PHE 102 Cb 0.39 0.07 -0.10 0.00 2.79 0.00 0.00 35.95 39.10 3fwc h PHE 102 CO -0.00 -0.00 0.25 1.96 -2.23 0.00 0.00 178.31 178.28 3fwc h GLN 103 N -0.41 0.35 -0.88 1.11 4.20 -0.96 0.18 115.11 118.70 3fwc h GLN 103 Ca -0.02 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.67 3fwc h GLN 103 Cb 0.32 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 27.97 3fwc h GLN 103 CO 0.04 0.23 0.56 -0.07 -0.67 0.00 0.00 178.83 178.92 3fwc h LEU 104 N 0.36 1.04 -0.45 1.46 3.38 -1.05 -2.57 115.31 117.47 3fwc h LEU 104 Ca 0.41 -0.05 -0.08 0.00 0.09 0.00 0.00 57.88 58.25 3fwc h LEU 104 Cb 0.66 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 3fwc h LEU 104 CO -0.45 0.78 -0.05 -0.26 0.09 0.00 0.00 178.44 178.55 3fwc h PHE 105 N 1.21 0.91 -1.09 1.13 -1.00 -0.03 -3.27 116.94 114.79 3fwc h PHE 105 Ca 0.32 -0.18 -0.74 0.00 2.81 0.00 0.00 57.97 60.18 3fwc h PHE 105 Cb -0.09 -0.23 -0.12 0.00 3.61 0.00 0.00 35.95 39.11 3fwc h PHE 105 CO -0.00 0.90 2.34 -3.47 -1.61 0.00 0.00 178.31 176.46 3fwc n ASP 106 N -4.33 5.72 0.04 2.17 2.03 0.43 -4.67 116.55 117.94 3fwc n ASP 106 Ca -0.00 -3.06 0.13 0.00 0.52 0.00 0.00 54.79 52.38 3fwc n ASP 106 Cb 0.34 -1.48 0.46 0.00 -0.72 0.00 0.00 41.12 39.72 3fwc n ASP 106 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 3fwc n ASP 107 N 3.68 0.42 -0.22 1.67 5.68 -1.23 -1.52 116.55 125.03 3fwc n ASP 107 Ca 0.48 0.42 0.14 0.00 -0.50 0.00 0.00 54.79 55.33 3fwc n ASP 107 Cb 0.34 -0.48 0.53 0.00 -1.14 0.00 0.00 41.12 40.37 3fwc n ASP 107 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3fwc n ASP 108 N -1.84 0.83 -1.49 -1.12 5.75 -1.26 -4.95 116.55 112.47 3fwc n ASP 108 Ca 0.06 -0.88 -0.18 0.00 -0.01 0.00 0.00 54.79 53.78 3fwc n ASP 108 Cb 0.38 0.02 -0.07 0.00 -1.03 0.00 0.00 41.12 40.43 3fwc n ASP 108 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 3fwc n HIS 109 N -0.64 -0.13 -0.14 2.11 8.25 -0.58 -4.89 115.22 119.20 3fwc n HIS 109 Ca 0.15 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.54 3fwc n HIS 109 Cb 0.31 -3.17 -0.01 0.00 1.12 0.00 0.00 29.99 28.25 3fwc n HIS 109 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 3fwc h THR 110 N 0.00 0.23 0.00 1.59 1.35 -1.93 -3.46 112.91 110.69 3fwc h THR 110 Ca -0.38 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 3fwc h THR 110 Cb 1.20 0.23 0.00 0.00 -1.73 0.00 0.00 68.15 67.85 3fwc h THR 110 CO 0.54 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.42 3fwc n GLY 111 N -1.42 1.03 3.20 5.82 0.00 -1.26 -5.09 105.19 107.48 3fwc n GLY 111 Ca 0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.00 0.32 0.16 1.61 1.02 -1.26 -4.20 119.74 117.38 3fwc s LYS 112 Ca 0.00 0.81 -0.34 0.00 0.02 0.00 0.00 55.97 56.46 3fwc s LYS 112 Cb 0.00 0.05 -0.14 0.00 -0.52 0.00 0.00 37.83 37.22 3fwc s LYS 112 CO 0.00 -0.20 1.56 -0.89 -0.92 0.00 0.00 175.35 174.90 3fwc n ILE 113 N 4.69 0.02 -4.42 2.17 5.41 0.43 -4.69 119.36 122.97 3fwc n ILE 113 Ca -0.18 -0.00 -0.26 0.00 1.00 0.00 0.00 62.75 63.31 3fwc n ILE 113 Cb 0.53 -1.49 -0.09 0.00 -0.71 0.00 0.00 39.64 37.88 3fwc n ILE 113 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 3fwc s SER 114 N 0.87 4.04 0.51 4.38 1.04 -1.26 -1.59 113.70 121.69 3fwc s SER 114 Ca 0.79 -1.12 0.21 0.00 0.48 0.00 0.00 55.95 56.30 3fwc s SER 114 Cb -0.70 -0.45 1.29 0.00 0.10 0.00 0.00 66.02 66.26 3fwc s SER 114 CO 0.39 -0.30 2.03 -0.29 0.98 0.00 0.00 173.24 176.04 3fwc h ILE 115 N 1.81 0.83 -0.11 -1.02 6.09 -1.94 0.30 117.51 123.47 3fwc h ILE 115 Ca -0.43 -0.03 -0.07 0.00 -1.37 0.00 0.00 64.86 62.96 3fwc h ILE 115 Cb 1.25 0.74 0.00 0.00 0.47 0.00 0.00 36.82 39.28 3fwc h ILE 115 CO 0.71 0.02 -0.21 0.11 -3.07 0.00 0.00 178.15 175.70 3fwc h LYS 116 N 0.08 0.34 -0.38 2.19 1.57 -1.98 -1.62 116.57 116.77 3fwc h LYS 116 Ca 0.20 -0.22 0.02 0.00 -1.87 0.00 0.00 60.65 58.78 3fwc h LYS 116 Cb 0.68 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.99 3fwc h LYS 116 CO -0.02 0.81 0.21 -0.91 -0.57 0.00 0.00 179.45 178.97 3fwc h ASN 117 N -0.09 0.33 -0.49 0.86 2.35 -1.47 -1.56 115.58 115.50 3fwc h ASN 117 Ca 0.00 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.76 3fwc h ASN 117 Cb 0.80 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 39.08 3fwc h ASN 117 CO 0.05 0.24 0.29 0.25 -1.65 0.00 0.00 177.43 176.60 3fwc h LEU 118 N 0.43 0.60 -0.64 1.61 5.85 -0.50 -0.87 115.31 121.78 3fwc h LEU 118 Ca 0.15 -0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.81 3fwc h LEU 118 Cb 0.03 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 3fwc h LEU 118 CO -0.09 0.50 0.42 -0.09 -0.34 0.00 0.00 178.44 178.85 3fwc h ARG 119 N 0.66 0.84 -0.64 1.25 2.43 -1.04 0.45 114.38 118.33 3fwc h ARG 119 Ca 0.18 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.27 3fwc h ARG 119 Cb 0.02 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.35 3fwc h ARG 119 CO -0.03 0.56 0.31 -0.09 -1.51 0.00 0.00 179.97 179.20 3fwc h ARG 120 N 0.86 0.91 -0.55 0.20 2.43 -0.63 -1.35 114.38 116.26 3fwc h ARG 120 Ca 0.24 -0.13 -0.07 0.00 -0.81 0.00 0.00 59.98 59.21 3fwc h ARG 120 Cb -0.09 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.27 3fwc h ARG 120 CO -0.06 0.73 0.07 0.28 -1.51 0.00 0.00 179.97 179.48 3fwc h VAL 121 N 0.88 1.24 -0.85 0.20 2.07 -0.52 -2.32 116.25 116.96 3fwc h VAL 121 Ca 0.22 -0.96 -0.01 0.00 0.82 0.00 0.00 66.70 66.78 3fwc h VAL 121 Cb 0.11 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 30.59 3fwc h VAL 121 CO -0.03 0.35 0.50 0.00 0.02 0.00 0.00 177.57 178.41 3fwc h ALA 122 N 1.23 1.08 0.11 1.67 0.00 0.89 -2.39 119.26 121.86 3fwc h ALA 122 Ca 0.17 -0.10 -0.30 0.00 0.00 0.00 0.00 54.91 54.68 3fwc h ALA 122 Cb 0.40 -0.34 0.03 0.00 0.00 0.00 0.00 17.79 17.88 3fwc h ALA 122 CO 0.01 0.55 -1.23 0.87 0.00 0.00 0.00 179.25 179.46 3fwc h LYS 123 N 1.17 0.63 -0.03 0.00 1.57 -1.10 0.41 116.57 119.21 3fwc h LYS 123 Ca 0.30 -0.83 0.03 0.00 -1.87 0.00 0.00 60.65 58.29 3fwc h LYS 123 Cb -0.03 0.27 -0.04 0.00 0.08 0.00 0.00 32.23 32.51 3fwc h LYS 123 CO -0.05 1.38 -0.23 0.93 -0.57 0.00 0.00 179.45 180.90 3fwc h GLU 124 N 0.27 -0.33 0.00 3.15 5.08 -1.33 0.35 114.58 121.76 3fwc h GLU 124 Ca -0.19 0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.16 3fwc h GLU 124 Cb 1.90 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 31.22 3fwc h GLU 124 CO 0.24 -0.22 -0.19 -0.07 -1.00 0.00 0.00 179.01 177.76 3fwc h LEU 125 N -0.35 0.00 0.23 1.33 3.38 -1.48 -3.46 115.31 114.96 3fwc h LEU 125 Ca 0.07 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 3fwc h LEU 125 Cb 0.44 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 3fwc h LEU 125 CO -0.23 0.19 -0.07 0.61 0.09 0.00 0.00 178.44 179.04 3fwc n GLY 126 N -0.74 0.54 3.79 0.83 0.00 0.12 -5.03 105.19 104.70 3fwc n GLY 126 Ca -0.02 -0.89 -0.36 0.00 0.00 0.00 0.00 46.02 44.75 3fwc n GLY 126 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fwc s GLU 127 N -2.72 4.28 -0.26 1.61 8.01 0.43 -4.94 118.70 125.12 3fwc s GLU 127 Ca 0.00 1.42 -0.07 0.00 0.01 0.00 0.00 54.97 56.33 3fwc s GLU 127 Cb 0.00 -2.57 -0.02 0.00 -4.31 0.00 0.00 34.13 27.24 3fwc s GLU 127 CO 0.00 -0.02 0.06 -0.08 0.01 0.00 0.00 175.26 175.23 3fwc s THR 128 N -1.71 4.12 -0.06 3.63 -1.32 -1.26 -4.43 115.64 114.62 3fwc s THR 128 Ca 0.56 -0.35 -0.10 0.00 -1.21 0.00 0.00 61.69 60.59 3fwc s THR 128 Cb -0.20 -2.98 0.02 0.00 -1.51 0.00 0.00 72.50 67.83 3fwc s THR 128 CO 0.25 0.27 0.24 -0.76 -2.21 0.00 0.00 174.62 172.41 3fwc s LEU 129 N 1.57 1.10 0.53 9.08 1.43 -1.26 -5.15 118.68 125.98 3fwc s LEU 129 Ca 0.05 0.26 -0.22 0.00 -1.03 0.00 0.00 54.13 53.20 3fwc s LEU 129 Cb -0.16 0.92 -0.05 0.00 0.03 0.00 0.00 46.19 46.93 3fwc s LEU 129 CO 0.03 -0.23 1.29 -0.89 0.23 0.00 0.00 176.35 176.77 3fwc s THR 130 N -0.52 2.42 0.33 5.49 2.01 -1.26 -4.85 115.64 119.26 3fwc s THR 130 Ca -0.06 0.31 0.04 0.00 0.31 0.00 0.00 61.69 62.29 3fwc s THR 130 Cb -0.04 -3.15 0.29 0.00 0.01 0.00 0.00 72.50 69.61 3fwc s THR 130 CO 0.01 -0.01 1.91 0.44 -0.69 0.00 0.00 174.62 176.28 3fwc h ASP 131 N 1.56 0.79 -0.59 3.53 3.32 -2.01 0.03 116.42 123.05 3fwc h ASP 131 Ca -0.50 0.02 -0.05 0.00 0.02 0.00 0.00 57.03 56.51 3fwc h ASP 131 Cb 1.29 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.66 3fwc h ASP 131 CO 0.58 0.48 0.16 -0.08 -1.72 0.00 0.00 179.24 178.66 3fwc h GLU 132 N 0.88 0.93 0.06 3.56 4.22 -1.99 -1.98 114.58 120.26 3fwc h GLU 132 Ca 0.39 -0.21 0.02 0.00 0.08 0.00 0.00 59.36 59.64 3fwc h GLU 132 Cb 0.35 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.44 3fwc h GLU 132 CO -0.16 0.85 -0.23 0.93 -2.18 0.00 0.00 179.01 178.22 3fwc h GLU 133 N 0.85 -0.39 0.11 1.92 5.08 -1.40 -2.42 114.58 118.33 3fwc h GLU 133 Ca 0.19 0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.60 3fwc h GLU 133 Cb 0.32 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.61 3fwc h GLU 133 CO -0.00 -0.26 -0.38 -0.07 -1.00 0.00 0.00 179.01 177.30 3fwc h LEU 134 N -0.40 -1.12 -1.92 1.33 3.38 -1.15 -1.27 115.31 114.15 3fwc h LEU 134 Ca 0.04 0.13 0.42 0.00 0.09 0.00 0.00 57.88 58.56 3fwc h LEU 134 Cb 0.45 0.43 -0.07 0.00 0.09 0.00 0.00 40.66 41.56 3fwc h LEU 134 CO -0.17 -0.46 1.02 0.03 0.09 0.00 0.00 178.44 178.96 3fwc h ARG 135 N -0.61 0.03 -0.04 1.13 3.08 -1.15 0.85 114.38 117.67 3fwc h ARG 135 Ca 0.03 -0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 3fwc h ARG 135 Cb 0.64 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.68 3fwc h ARG 135 CO -0.23 0.02 0.01 0.00 -1.07 0.00 0.00 179.97 178.70 3fwc h ALA 136 N 1.31 0.05 -0.18 0.04 0.00 -0.73 -1.82 119.26 117.93 3fwc h ALA 136 Ca 0.70 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.55 3fwc h ALA 136 Cb 2.72 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 20.43 3fwc h ALA 136 CO -0.05 -0.35 -0.43 0.52 0.00 0.00 0.00 179.25 178.94 3fwc h MET 137 N -0.13 -0.45 -0.74 0.00 2.86 0.84 -0.12 114.93 117.19 3fwc h MET 137 Ca 0.01 0.03 0.07 0.00 -2.06 0.00 0.00 59.70 57.76 3fwc h MET 137 Cb 0.20 0.10 -0.06 0.00 0.06 0.00 0.00 31.60 31.90 3fwc h MET 137 CO -0.00 -0.30 0.42 0.82 1.06 0.00 0.00 176.91 178.91 3fwc h ILE 138 N -0.47 0.95 -0.54 -1.22 2.04 -1.42 -2.24 117.51 114.62 3fwc h ILE 138 Ca 0.08 -0.25 -0.07 0.00 1.00 0.00 0.00 64.86 65.62 3fwc h ILE 138 Cb 0.62 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 3fwc h ILE 138 CO -0.43 0.14 0.05 -0.08 0.00 0.00 0.00 178.15 177.82 3fwc h GLU 139 N 0.74 0.88 -0.98 2.37 4.57 -0.81 0.10 114.58 121.45 3fwc h GLU 139 Ca 0.34 -0.22 0.09 0.00 -1.18 0.00 0.00 59.36 58.39 3fwc h GLU 139 Cb 0.25 -0.11 -0.08 0.00 -0.16 0.00 0.00 28.75 28.66 3fwc h GLU 139 CO -0.21 0.84 0.62 1.49 -1.18 0.00 0.00 179.01 180.57 3fwc h GLU 140 N 0.82 1.01 -0.29 1.92 4.81 -0.40 -2.35 114.58 120.11 3fwc h GLU 140 Ca 0.16 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 3fwc h GLU 140 Cb 0.42 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.57 3fwc h GLU 140 CO 0.01 0.67 0.00 1.19 -0.73 0.00 0.00 179.01 180.15 3fwc n PHE 141 N -4.59 0.38 -1.76 0.92 3.01 -1.16 -4.80 117.46 109.47 3fwc n PHE 141 Ca 0.17 -0.46 -0.42 0.00 1.01 0.00 0.00 57.45 57.75 3fwc n PHE 141 Cb 0.27 -0.03 -0.00 0.00 -0.01 0.00 0.00 39.48 39.71 3fwc n PHE 141 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 3fwc n ASP 142 N 0.43 4.39 0.25 4.37 2.03 0.35 -4.55 116.55 123.81 3fwc n ASP 142 Ca 0.10 -2.85 0.15 0.00 0.52 0.00 0.00 54.79 52.72 3fwc n ASP 142 Cb 0.40 -1.63 0.82 0.00 -0.72 0.00 0.00 41.12 39.98 3fwc n ASP 142 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 3fwc h LEU 143 N 9.54 0.00 0.60 -2.67 3.38 -1.87 -2.76 115.31 121.53 3fwc h LEU 143 Ca 0.58 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.52 3fwc h LEU 143 Cb 0.61 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.36 3fwc h LEU 143 CO 1.86 0.00 -0.29 -0.78 0.09 0.00 0.00 178.44 179.32 3fwc h ASP 144 N 0.00 -0.68 0.00 -0.43 1.82 -1.89 -3.48 116.42 111.76 3fwc h ASP 144 Ca 0.00 -0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.61 3fwc h ASP 144 Cb 0.14 0.18 0.00 0.00 0.68 0.00 0.00 39.33 40.33 3fwc h ASP 144 CO 0.00 -0.32 0.00 0.61 -1.61 0.00 0.00 179.24 177.92 3fwc n GLY 145 N -0.64 0.80 0.74 -0.78 0.00 -1.04 -4.99 105.19 99.28 3fwc n GLY 145 Ca -0.11 -0.18 0.07 0.00 0.00 0.00 0.00 46.02 45.80 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 0.33 3.41 0.00 1.61 5.75 -1.26 -4.96 116.55 121.42 3fwc n ASP 146 Ca 0.00 -2.58 0.00 0.00 -0.01 0.00 0.00 54.79 52.20 3fwc n ASP 146 Cb 0.00 -0.40 0.00 0.00 -1.03 0.00 0.00 41.12 39.69 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 -0.13 0.13 1.55 6.12 0.00 -1.26 -4.92 105.19 106.67 3fwc n GLY 147 Ca 0.17 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.07 3fwc n GLY 147 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3fwc n GLU 148 N -0.46 0.68 -3.61 1.61 1.02 -1.26 -4.61 120.64 114.01 3fwc n GLU 148 Ca 0.00 -1.59 -0.26 0.00 -0.02 0.00 0.00 57.16 55.28 3fwc n GLU 148 Cb 0.28 0.93 -0.17 0.00 -0.02 0.00 0.00 31.44 32.46 3fwc n GLU 148 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3fwc s ILE 149 N -2.31 -0.06 0.95 -3.67 1.01 -0.62 -4.78 121.20 111.72 3fwc s ILE 149 Ca 0.11 -0.19 -0.15 0.00 0.00 0.00 0.00 60.65 60.42 3fwc s ILE 149 Cb 0.01 -0.60 0.20 0.00 0.01 0.00 0.00 42.46 42.07 3fwc s ILE 149 CO 0.08 -0.29 1.31 0.54 0.00 0.00 0.00 174.94 176.58 3fwc s ASN 150 N 2.13 3.14 0.42 3.58 4.22 -1.26 -0.43 114.94 126.74 3fwc s ASN 150 Ca 0.02 0.22 0.09 0.00 -2.14 0.00 0.00 52.86 51.05 3fwc s ASN 150 Cb -0.16 -0.27 0.93 0.00 1.28 0.00 0.00 41.25 43.03 3fwc s ASN 150 CO -0.09 -2.71 2.05 -0.08 -2.04 0.00 0.00 177.10 174.22 3fwc h GLU 151 N -1.60 0.47 0.08 3.55 4.81 -2.00 -1.99 114.58 117.90 3fwc h GLU 151 Ca -0.44 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 58.76 3fwc h GLU 151 Cb 1.23 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.51 3fwc h GLU 151 CO 0.37 0.31 -0.04 -0.91 -0.73 0.00 0.00 179.01 178.02 3fwc h ASN 152 N 0.48 -0.09 -0.05 1.04 4.21 -1.96 -0.73 115.58 118.48 3fwc h ASN 152 Ca 0.16 -0.27 -0.03 0.00 1.21 0.00 0.00 56.30 57.37 3fwc h ASN 152 Cb 0.06 0.02 -0.01 0.00 -1.12 0.00 0.00 38.32 37.27 3fwc h ASN 152 CO -0.04 0.22 -0.04 -0.33 -1.29 0.00 0.00 177.43 175.96 3fwc h GLU 153 N -0.42 0.25 -0.20 0.81 5.08 -1.83 -1.28 114.58 116.99 3fwc h GLU 153 Ca -0.01 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 3fwc h GLU 153 Cb 0.36 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 3fwc h GLU 153 CO 0.02 0.31 -0.05 0.35 -1.00 0.00 0.00 179.01 178.64 3fwc h PHE 154 N 0.24 0.42 0.00 4.33 3.57 -1.25 -2.74 116.94 121.51 3fwc h PHE 154 Ca 0.06 -0.09 -0.01 0.00 3.53 0.00 0.00 57.97 61.46 3fwc h PHE 154 Cb 0.24 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 38.87 3fwc h PHE 154 CO 0.00 0.63 -0.03 0.82 -2.23 0.00 0.00 178.31 177.50 3fwc h ILE 155 N 0.10 0.54 0.00 1.41 2.04 -0.02 0.23 117.51 121.81 3fwc h ILE 155 Ca 0.05 -0.15 -0.05 0.00 1.00 0.00 0.00 64.86 65.71 3fwc h ILE 155 Cb 0.49 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.66 3fwc h ILE 155 CO 0.02 0.03 -0.26 0.00 0.00 0.00 0.00 178.15 177.94 3fwc h ALA 156 N 1.97 0.88 0.08 1.87 0.00 -1.06 0.61 119.26 123.62 3fwc h ALA 156 Ca -0.00 -0.24 -0.27 0.00 0.00 0.00 0.00 54.91 54.40 3fwc h ALA 156 Cb 0.09 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.85 3fwc h ALA 156 CO 0.00 0.33 -1.15 0.82 0.00 0.00 0.00 179.25 179.25 3fwc h ILE 157 N 0.00 1.38 0.00 0.00 2.04 -0.29 -3.35 117.51 117.28 3fwc h ILE 157 Ca -0.00 -2.61 -0.13 0.00 1.00 0.00 0.00 64.86 63.11 3fwc h ILE 157 Cb 1.03 2.67 -0.02 0.00 -0.74 0.00 0.00 36.82 39.75 3fwc h ILE 157 CO 0.03 0.78 -1.33 0.00 0.00 0.00 0.00 178.15 177.63 3fwc h THR 159 N 0.00 1.24 0.00 0.00 1.03 -1.00 -3.22 112.91 110.96 3fwc h THR 159 Ca -0.13 -0.85 -0.62 0.00 -0.01 0.00 0.00 66.41 64.80 3fwc h THR 159 Cb 1.46 0.56 0.04 0.00 -1.07 0.00 0.00 68.15 69.14 3fwc h THR 159 CO 0.04 0.32 2.37 -0.67 -0.01 0.00 0.00 175.52 177.57 3fwc n ASP 160 N -4.27 2.82 -0.90 0.00 4.64 -1.26 -5.09 116.55 112.50 3fwc n ASP 160 Ca 0.05 -2.64 0.11 0.00 -1.38 0.00 0.00 54.79 50.93 3fwc n ASP 160 Cb 0.22 -1.13 0.09 0.00 -1.04 0.00 0.00 41.12 39.27 3fwc n ASP 160 CO 0.00 0.00 0.00 -0.24 -0.82 0.00 0.00 177.20 176.14