#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fwg s LEU 11 N 0.00 3.73 0.27 -4.53 1.02 -1.26 -4.29 118.68 113.62 3fwg s LEU 11 Ca 0.00 -0.32 -0.29 0.00 0.02 0.00 0.00 54.13 53.53 3fwg s LEU 11 Cb 0.00 -1.96 -0.09 0.00 0.02 0.00 0.00 46.19 44.15 3fwg s LEU 11 CO 0.00 -0.10 1.21 0.00 0.02 0.00 0.00 176.35 177.48 3fwg s ALA 12 N 1.62 3.46 0.19 4.21 0.00 0.37 -4.95 121.76 126.65 3fwg s ALA 12 Ca 0.06 1.05 -0.33 0.00 0.00 0.00 0.00 51.96 52.74 3fwg s ALA 12 Cb -0.16 -3.41 -0.15 0.00 0.00 0.00 0.00 23.12 19.40 3fwg s ALA 12 CO 0.05 -0.39 1.24 -2.30 0.00 0.00 0.00 175.76 174.35 3fwg n PRO 13 N 1.50 1.40 -1.87 0.00 -0.02 -1.26 -4.80 135.00 129.95 3fwg n PRO 13 Ca 0.01 0.50 -0.42 0.00 -2.02 0.00 0.00 63.50 61.57 3fwg n PRO 13 Cb 0.44 -2.04 -0.03 0.00 -0.02 0.00 0.00 33.50 31.84 3fwg n PRO 13 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3fwg s LEU 14 N 0.52 4.37 0.55 2.45 2.96 -1.26 -4.96 118.68 123.31 3fwg s LEU 14 Ca 0.72 2.48 -0.21 0.00 -0.22 0.00 0.00 54.13 56.90 3fwg s LEU 14 Cb -0.80 -3.55 -0.05 0.00 0.50 0.00 0.00 46.19 42.30 3fwg s LEU 14 CO 0.51 -0.95 1.33 -2.65 -1.32 0.00 0.00 176.35 173.27 3fwg n PRO 15 N 6.57 1.61 -0.34 0.98 -0.02 -1.26 -4.90 135.00 137.64 3fwg n PRO 15 Ca 0.17 0.59 0.20 0.00 -2.02 0.00 0.00 63.50 62.45 3fwg n PRO 15 Cb 0.41 -2.55 0.42 0.00 -0.02 0.00 0.00 33.50 31.77 3fwg n PRO 15 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3fwg h PRO 16 N 1.32 0.46 0.00 0.52 0.11 -2.05 -2.30 132.00 130.07 3fwg h PRO 16 Ca -0.51 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.58 3fwg h PRO 16 Cb 1.31 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3fwg h PRO 16 CO 0.56 0.31 0.00 -2.39 -0.21 0.00 0.00 178.00 176.27 3fwg n HIS 17 N -4.94 0.57 -3.17 0.65 1.44 -1.26 -4.77 115.22 103.74 3fwg n HIS 17 Ca 0.29 0.18 -0.40 0.00 -2.01 0.00 0.00 57.72 55.77 3fwg n HIS 17 Cb 0.84 -0.78 -0.07 0.00 0.12 0.00 0.00 29.99 30.10 3fwg n HIS 17 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 3fwg s VAL 18 N -3.09 5.03 0.28 0.61 1.01 -0.87 -4.89 120.40 118.48 3fwg s VAL 18 Ca 0.11 1.03 -0.30 0.00 0.00 0.00 0.00 61.98 62.82 3fwg s VAL 18 Cb 0.14 -3.89 -0.10 0.00 0.00 0.00 0.00 36.38 32.53 3fwg s VAL 18 CO 0.52 0.06 1.40 -2.84 0.00 0.00 0.00 175.10 174.25 3fwg s PRO 19 N 2.34 4.29 0.43 2.72 0.02 -1.26 -4.85 135.00 138.69 3fwg s PRO 19 Ca 0.24 2.28 0.11 0.00 0.02 0.00 0.00 61.00 63.66 3fwg s PRO 19 Cb -0.16 -3.09 0.98 0.00 0.02 0.00 0.00 34.50 32.25 3fwg s PRO 19 CO 0.09 -0.35 2.02 0.93 -0.33 0.00 0.00 177.00 179.36 3fwg h GLU 20 N 4.45 0.42 0.00 5.54 3.07 -1.95 -2.16 114.58 123.95 3fwg h GLU 20 Ca -0.47 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.36 3fwg h GLU 20 Cb 1.22 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 29.04 3fwg h GLU 20 CO 0.73 0.28 0.00 -2.39 -1.40 0.00 0.00 179.01 176.23 3fwg n HIS 21 N -4.48 0.00 0.49 4.33 1.44 -1.26 -2.79 115.22 112.96 3fwg n HIS 21 Ca 0.06 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.89 3fwg n HIS 21 Cb 0.23 -0.44 0.20 0.00 0.12 0.00 0.00 29.99 30.10 3fwg n HIS 21 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3fwg n LEU 22 N -1.44 3.33 -4.70 2.39 4.77 -0.81 -4.94 117.00 115.60 3fwg n LEU 22 Ca 0.07 -1.36 -0.42 0.00 -0.03 0.00 0.00 56.01 54.27 3fwg n LEU 22 Cb 0.25 -0.19 -0.03 0.00 -2.33 0.00 0.00 43.42 41.12 3fwg n LEU 22 CO 0.21 0.68 0.81 -0.69 -1.33 0.00 0.00 177.39 177.07 3fwg s VAL 23 N -1.62 4.49 -0.24 4.08 1.01 -1.12 -0.82 120.40 126.19 3fwg s VAL 23 Ca 0.36 1.79 -0.03 0.00 0.00 0.00 0.00 61.98 64.10 3fwg s VAL 23 Cb 0.22 -4.15 0.11 0.00 0.00 0.00 0.00 36.38 32.56 3fwg s VAL 23 CO 0.31 0.09 0.24 0.12 0.00 0.00 0.00 175.10 175.86 3fwg s PHE 24 N 1.43 -0.30 -1.44 5.22 2.19 0.45 -4.89 117.98 120.63 3fwg s PHE 24 Ca 0.54 0.04 -0.11 0.00 0.33 0.00 0.00 56.93 57.74 3fwg s PHE 24 Cb -0.24 -0.42 0.05 0.00 -1.31 0.00 0.00 43.02 41.10 3fwg s PHE 24 CO 0.25 -0.72 2.35 -0.25 1.83 0.00 0.00 175.22 178.68 3fwg n ASP 25 N 5.31 5.89 -4.73 6.13 8.00 -1.26 -3.57 116.55 132.33 3fwg n ASP 25 Ca -0.04 -2.88 -0.41 0.00 0.71 0.00 0.00 54.79 52.16 3fwg n ASP 25 Cb 0.48 -1.55 -0.04 0.00 -0.02 0.00 0.00 41.12 39.99 3fwg n ASP 25 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3fwg s PHE 26 N 1.71 3.76 -0.39 1.24 5.36 -1.26 -4.86 117.98 123.53 3fwg s PHE 26 Ca 0.52 1.75 -0.06 0.00 -0.96 0.00 0.00 56.93 58.17 3fwg s PHE 26 Cb 0.15 -3.10 0.07 0.00 -0.34 0.00 0.00 43.02 39.79 3fwg s PHE 26 CO -0.06 0.03 0.18 0.34 -1.46 0.00 0.00 175.22 174.25 3fwg s ASP 27 N 0.13 5.41 0.23 6.13 -1.08 -1.26 -4.55 116.67 121.67 3fwg s ASP 27 Ca 0.48 -1.50 0.21 0.00 -0.52 0.00 0.00 52.55 51.22 3fwg s ASP 27 Cb -0.24 -1.90 0.93 0.00 -1.46 0.00 0.00 42.92 40.25 3fwg s ASP 27 CO 0.30 -0.46 1.63 1.15 0.52 0.00 0.00 175.17 178.31 3fwg n MET 28 N 4.80 0.15 0.00 4.34 0.00 -1.26 -1.51 117.12 123.64 3fwg n MET 28 Ca -0.09 0.46 0.10 0.00 0.00 0.00 0.00 57.70 58.16 3fwg n MET 28 Cb 0.43 -1.83 -0.09 0.00 0.00 0.00 0.00 33.22 31.73 3fwg n MET 28 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 3fwg n TYR 29 N -2.11 0.00 -2.83 3.17 4.01 -1.26 -3.05 117.16 115.09 3fwg n TYR 29 Ca 0.01 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.64 3fwg n TYR 29 Cb 0.16 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.24 3fwg n TYR 29 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3fwg n ASN 30 N -1.21 -2.02 -4.77 7.72 5.15 -0.66 -4.50 115.26 114.97 3fwg n ASN 30 Ca 0.05 -3.38 -0.39 0.00 -0.60 0.00 0.00 54.58 50.26 3fwg n ASN 30 Cb 0.33 1.40 -0.00 0.00 -0.53 0.00 0.00 39.78 40.98 3fwg n ASN 30 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3fwg s PRO 31 N 0.04 3.84 0.34 1.20 0.04 -0.57 -4.63 135.00 135.26 3fwg s PRO 31 Ca 0.29 2.04 0.08 0.00 0.04 0.00 0.00 61.00 63.45 3fwg s PRO 31 Cb 0.26 -2.62 0.78 0.00 0.04 0.00 0.00 34.50 32.97 3fwg s PRO 31 CO -0.14 -0.56 1.85 0.77 0.04 0.00 0.00 177.00 178.95 3fwg h SER 32 N 2.40 0.71 -0.44 6.66 0.02 -1.90 -2.12 113.55 118.87 3fwg h SER 32 Ca -0.50 0.05 -0.09 0.00 -0.84 0.00 0.00 61.79 60.42 3fwg h SER 32 Cb 1.25 -0.09 -0.05 0.00 0.14 0.00 0.00 62.40 63.65 3fwg h SER 32 CO 0.61 0.34 0.11 -3.20 -1.14 0.00 0.00 176.83 173.55 3fwg n ASN 33 N -4.60 3.87 -0.32 3.07 5.15 -1.26 -4.67 115.26 116.51 3fwg n ASN 33 Ca 0.19 -2.71 0.09 0.00 -0.60 0.00 0.00 54.58 51.56 3fwg n ASN 33 Cb 0.49 -0.65 0.31 0.00 -0.53 0.00 0.00 39.78 39.40 3fwg n ASN 33 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 3fwg h LEU 34 N 2.13 0.80 -2.71 1.20 5.85 -1.65 -1.85 115.31 119.08 3fwg h LEU 34 Ca 0.11 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.87 3fwg h LEU 34 Cb 1.65 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.56 3fwg h LEU 34 CO 0.42 0.41 0.00 0.77 -0.34 0.00 0.00 178.44 179.70 3fwg h SER 35 N 0.85 0.00 0.83 1.25 4.64 -1.87 -1.08 113.55 118.17 3fwg h SER 35 Ca 0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.79 3fwg h SER 35 Cb 0.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 3fwg h SER 35 CO -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.72 3fwg n ALA 36 N -2.08 2.28 0.00 5.18 0.00 -0.69 -5.00 120.51 120.20 3fwg n ALA 36 Ca -0.02 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.31 3fwg n ALA 36 Cb 0.11 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.12 3fwg n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fwg n GLY 37 N 1.25 3.19 0.26 0.00 0.00 -0.41 -4.74 105.19 104.74 3fwg n GLY 37 Ca 0.08 -1.61 -0.12 0.00 0.00 0.00 0.00 46.02 44.37 3fwg n GLY 37 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3fwg h VAL 38 N 0.00 1.28 -0.57 1.61 3.04 -1.89 0.43 116.25 120.15 3fwg h VAL 38 Ca 0.00 -1.41 -0.00 0.00 -1.01 0.00 0.00 66.70 64.28 3fwg h VAL 38 Cb 0.00 1.26 -0.03 0.00 -2.01 0.00 0.00 31.29 30.52 3fwg h VAL 38 CO 0.00 0.48 0.34 1.56 -1.01 0.00 0.00 177.57 178.94 3fwg h GLN 39 N 0.74 0.77 -0.95 4.17 7.50 -1.92 -0.41 115.11 125.00 3fwg h GLN 39 Ca 0.09 -0.07 0.03 0.00 0.50 0.00 0.00 58.65 59.20 3fwg h GLN 39 Cb 0.82 -0.16 -0.05 0.00 0.05 0.00 0.00 27.48 28.14 3fwg h GLN 39 CO 0.07 0.55 0.62 0.93 -1.50 0.00 0.00 178.83 179.50 3fwg h GLU 40 N 0.76 1.17 -0.62 1.46 3.07 -1.81 0.16 114.58 118.76 3fwg h GLU 40 Ca 0.20 -0.07 -0.07 0.00 -0.50 0.00 0.00 59.36 58.92 3fwg h GLU 40 Cb -0.02 -0.26 -0.02 0.00 -0.84 0.00 0.00 28.75 27.60 3fwg h GLU 40 CO -0.04 0.77 0.12 0.00 -1.40 0.00 0.00 179.01 178.46 3fwg h ALA 41 N 1.44 0.83 -0.03 3.43 0.00 0.16 -2.85 119.26 122.24 3fwg h ALA 41 Ca 0.38 -0.25 -0.16 0.00 0.00 0.00 0.00 54.91 54.87 3fwg h ALA 41 Cb -0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3fwg h ALA 41 CO -0.11 0.57 -0.69 -1.49 0.00 0.00 0.00 179.25 177.52 3fwg h TRP 42 N 0.93 0.21 0.00 0.00 4.06 -0.72 -3.09 115.95 117.34 3fwg h TRP 42 Ca 0.19 -0.09 0.00 0.00 2.06 0.00 0.00 58.89 61.05 3fwg h TRP 42 Cb 0.41 -0.03 0.00 0.00 -1.00 0.00 0.00 29.16 28.53 3fwg h TRP 42 CO 0.03 0.80 0.00 0.00 -3.56 0.00 0.00 178.44 175.71 3fwg n ALA 43 N -2.45 1.35 0.26 1.49 0.00 0.01 -1.55 120.51 119.62 3fwg n ALA 43 Ca -0.02 0.04 0.17 0.00 0.00 0.00 0.00 53.44 53.63 3fwg n ALA 43 Cb 0.68 -1.21 0.92 0.00 0.00 0.00 0.00 19.45 19.84 3fwg n ALA 43 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 3fwg h VAL 44 N 0.00 0.37 0.00 0.00 -1.51 -1.46 -0.42 116.25 113.23 3fwg h VAL 44 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 3fwg h VAL 44 Cb 0.15 0.89 0.00 0.00 -2.13 0.00 0.00 31.29 30.20 3fwg h VAL 44 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 177.57 176.52 3fwg n LEU 45 N -3.61 0.00 -0.46 4.19 4.77 -0.60 -2.59 117.00 118.70 3fwg n LEU 45 Ca -0.01 0.45 0.06 0.00 -0.03 0.00 0.00 56.01 56.49 3fwg n LEU 45 Cb 0.22 -0.45 0.15 0.00 -2.33 0.00 0.00 43.42 41.00 3fwg n LEU 45 CO 0.25 -0.20 0.61 0.00 -1.33 0.00 0.00 177.39 176.72 3fwg n GLN 46 N -1.45 2.63 -1.13 3.23 6.02 -0.17 -4.83 117.38 121.68 3fwg n GLN 46 Ca 0.05 -2.24 -0.30 0.00 -0.01 0.00 0.00 57.00 54.50 3fwg n GLN 46 Cb 0.18 -1.41 0.13 0.00 1.02 0.00 0.00 30.24 30.16 3fwg n GLN 46 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3fwg s GLU 47 N -1.85 1.43 0.29 -1.09 2.02 -1.07 -4.94 118.70 113.49 3fwg s GLU 47 Ca 0.25 1.01 0.02 0.00 0.02 0.00 0.00 54.97 56.26 3fwg s GLU 47 Cb 0.18 -1.81 0.57 0.00 0.10 0.00 0.00 34.13 33.17 3fwg s GLU 47 CO 0.08 -2.18 1.84 0.66 0.02 0.00 0.00 175.26 175.68 3fwg h SER 48 N -1.51 0.92 -0.12 -0.19 4.64 -1.95 -2.37 113.55 112.97 3fwg h SER 48 Ca -0.48 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 3fwg h SER 48 Cb 1.27 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 3fwg h SER 48 CO 0.52 0.49 0.00 0.59 -0.87 0.00 0.00 176.83 177.55 3fwg n ASN 49 N -4.61 2.68 -4.69 4.97 4.13 -1.26 -4.92 115.26 111.56 3fwg n ASN 49 Ca 0.19 -1.87 -0.42 0.00 1.68 0.00 0.00 54.58 54.15 3fwg n ASN 49 Cb 0.36 -0.06 -0.03 0.00 -1.54 0.00 0.00 39.78 38.51 3fwg n ASN 49 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3fwg s VAL 50 N -1.87 4.82 0.94 2.41 1.01 -0.89 -5.03 120.40 121.79 3fwg s VAL 50 Ca 0.33 1.98 -0.11 0.00 0.00 0.00 0.00 61.98 64.18 3fwg s VAL 50 Cb 0.21 -4.29 0.16 0.00 0.00 0.00 0.00 36.38 32.46 3fwg s VAL 50 CO 0.31 0.04 1.10 -2.84 0.00 0.00 0.00 175.10 173.72 3fwg s PRO 51 N 1.79 0.83 0.53 2.72 0.02 -1.26 -4.89 135.00 134.75 3fwg s PRO 51 Ca 0.48 1.23 0.28 0.00 0.02 0.00 0.00 61.00 63.01 3fwg s PRO 51 Cb -0.19 -1.73 1.51 0.00 0.02 0.00 0.00 34.50 34.11 3fwg s PRO 51 CO 0.19 -2.65 2.09 -0.44 -0.33 0.00 0.00 177.00 175.86 3fwg h ASP 52 N -1.87 0.00 -3.27 2.53 3.32 -1.94 -3.41 116.42 111.78 3fwg h ASP 52 Ca -0.48 0.00 -0.37 0.00 0.02 0.00 0.00 57.03 56.20 3fwg h ASP 52 Cb 1.28 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 40.44 3fwg h ASP 52 CO 0.47 0.10 -0.73 -0.22 -1.72 0.00 0.00 179.24 177.14 3fwg s LEU 53 N -7.21 0.13 0.28 1.55 2.96 -1.26 -1.00 118.68 114.13 3fwg s LEU 53 Ca -0.03 0.06 0.08 0.00 -0.22 0.00 0.00 54.13 54.03 3fwg s LEU 53 Cb 0.13 -0.10 -0.06 0.00 0.50 0.00 0.00 46.19 46.66 3fwg s LEU 53 CO 0.57 -0.26 -0.11 0.68 -1.32 0.00 0.00 176.35 175.92 3fwg s VAL 54 N 2.18 1.95 -0.14 1.68 -7.23 -0.67 -4.95 120.40 113.22 3fwg s VAL 54 Ca 0.05 -2.21 -0.00 0.00 -1.81 0.00 0.00 61.98 58.00 3fwg s VAL 54 Cb -0.12 -2.40 -0.01 0.00 0.56 0.00 0.00 36.38 34.41 3fwg s VAL 54 CO -0.04 -0.35 -0.13 0.86 -0.31 0.00 0.00 175.10 175.14 3fwg s TRP 55 N -2.82 2.82 -0.07 2.82 -0.11 0.00 -0.32 118.94 121.27 3fwg s TRP 55 Ca 0.29 -0.69 -0.04 0.00 1.22 0.00 0.00 56.10 56.87 3fwg s TRP 55 Cb 0.01 -1.87 -0.04 0.00 -1.50 0.00 0.00 33.47 30.08 3fwg s TRP 55 CO 0.13 -0.25 0.13 -0.08 -4.62 0.00 0.00 176.95 172.25 3fwg s THR 56 N 0.46 5.22 -2.02 5.86 -1.32 0.01 -0.41 115.64 123.43 3fwg s THR 56 Ca -0.09 -0.05 0.28 0.00 -1.21 0.00 0.00 61.69 60.61 3fwg s THR 56 Cb -0.16 -3.33 0.42 0.00 -1.51 0.00 0.00 72.50 67.92 3fwg s THR 56 CO 0.05 0.49 1.70 0.54 -2.21 0.00 0.00 174.62 175.18 3fwg n ARG 57 N 1.58 1.13 -1.71 7.08 1.74 -1.26 -1.23 116.66 123.99 3fwg n ARG 57 Ca -0.16 -0.61 -0.32 0.00 -0.77 0.00 0.00 57.85 55.98 3fwg n ARG 57 Cb 0.54 -1.49 0.04 0.00 -1.02 0.00 0.00 32.46 30.53 3fwg n ARG 57 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3fwg n ASN 59 N -2.69 -4.84 0.00 0.00 3.02 -1.26 -1.20 115.26 108.29 3fwg n ASN 59 Ca 0.09 -0.63 0.00 0.00 -0.03 0.00 0.00 54.58 54.01 3fwg n ASN 59 Cb 0.53 -3.89 0.00 0.00 -0.61 0.00 0.00 39.78 35.81 3fwg n ASN 59 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3fwg n GLY 60 N -1.58 2.35 0.01 7.41 0.00 -1.26 -4.55 105.19 107.56 3fwg n GLY 60 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3fwg n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fwg n GLY 61 N -2.00 1.37 3.52 -0.02 0.00 -0.34 -4.84 105.19 102.88 3fwg n GLY 61 Ca 0.00 -1.27 -0.08 0.00 0.00 0.00 0.00 46.02 44.66 3fwg n GLY 61 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3fwg s HIS 62 N -0.01 -0.34 0.59 1.61 -3.43 -0.37 -4.74 115.29 108.60 3fwg s HIS 62 Ca 0.00 0.19 -0.14 0.00 -0.80 0.00 0.00 55.06 54.31 3fwg s HIS 62 Cb 0.00 0.55 -0.05 0.00 -1.43 0.00 0.00 32.58 31.65 3fwg s HIS 62 CO 0.00 -0.59 1.02 -1.58 -2.00 0.00 0.00 174.74 171.59 3fwg s TRP 63 N -3.18 3.41 -0.05 0.38 0.52 -0.30 -0.81 118.94 118.91 3fwg s TRP 63 Ca 0.05 1.40 -0.01 0.00 0.02 0.00 0.00 56.10 57.57 3fwg s TRP 63 Cb -0.01 -2.81 0.03 0.00 -1.15 0.00 0.00 33.47 29.53 3fwg s TRP 63 CO -0.08 -0.71 0.01 0.42 0.02 0.00 0.00 176.95 176.60 3fwg s ILE 64 N -2.87 0.21 -0.05 2.03 1.01 0.57 -0.55 121.20 121.55 3fwg s ILE 64 Ca 0.58 0.15 -0.26 0.00 0.00 0.00 0.00 60.65 61.12 3fwg s ILE 64 Cb -0.12 -0.36 -0.03 0.00 0.01 0.00 0.00 42.46 41.96 3fwg s ILE 64 CO 0.44 0.20 0.80 0.00 0.00 0.00 0.00 174.94 176.37 3fwg s ALA 65 N 1.55 3.29 -1.15 9.38 0.00 -0.62 -1.67 121.76 132.55 3fwg s ALA 65 Ca -0.02 0.26 0.14 0.00 0.00 0.00 0.00 51.96 52.34 3fwg s ALA 65 Cb -0.13 -3.09 -0.04 0.00 0.00 0.00 0.00 23.12 19.86 3fwg s ALA 65 CO -0.03 -0.17 0.74 0.25 0.00 0.00 0.00 175.76 176.55 3fwg n THR 66 N 3.86 0.00 -4.57 0.00 -2.24 -0.17 -4.33 114.28 106.83 3fwg n THR 66 Ca 0.01 -0.31 -0.24 0.00 -2.27 0.00 0.00 64.05 61.25 3fwg n THR 66 Cb 0.51 1.13 -0.14 0.00 -2.10 0.00 0.00 70.33 69.73 3fwg n THR 66 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3fwg s ARG 67 N -1.86 1.25 0.33 -0.78 1.81 -1.26 -4.76 118.95 113.68 3fwg s ARG 67 Ca 0.10 -0.84 0.08 0.00 -1.72 0.00 0.00 55.73 53.35 3fwg s ARG 67 Cb 0.11 -1.31 0.79 0.00 -0.45 0.00 0.00 34.95 34.09 3fwg s ARG 67 CO 0.41 0.33 1.82 0.78 -0.68 0.00 0.00 175.30 177.96 3fwg h GLY 68 N 5.00 1.50 0.73 -3.53 0.00 -1.82 -1.55 103.07 103.40 3fwg h GLY 68 Ca -0.40 -0.33 0.04 0.00 0.00 0.00 0.00 47.33 46.63 3fwg h GLY 68 CO 0.44 0.01 0.16 -1.61 0.00 0.00 0.00 176.54 175.54 3fwg h GLN 69 N 0.73 0.32 -0.07 4.80 4.15 -1.96 -0.57 115.11 122.50 3fwg h GLN 69 Ca 0.53 -0.02 -0.23 0.00 0.77 0.00 0.00 58.65 59.69 3fwg h GLN 69 Cb 0.86 -0.07 0.01 0.00 0.21 0.00 0.00 27.48 28.49 3fwg h GLN 69 CO -0.29 0.21 -0.88 -0.07 -1.93 0.00 0.00 178.83 175.86 3fwg h LEU 70 N 0.33 0.83 -0.28 -2.39 4.07 -1.75 -2.10 115.31 114.02 3fwg h LEU 70 Ca 0.17 -0.60 0.04 0.00 0.08 0.00 0.00 57.88 57.57 3fwg h LEU 70 Cb 0.12 -0.25 -0.03 0.00 1.08 0.00 0.00 40.66 41.58 3fwg h LEU 70 CO -0.15 1.39 0.07 0.40 -1.08 0.00 0.00 178.44 179.07 3fwg h ILE 71 N 0.42 0.89 -0.18 1.22 2.04 -1.11 -0.23 117.51 120.56 3fwg h ILE 71 Ca -0.08 -0.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.71 3fwg h ILE 71 Cb 1.51 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 38.28 3fwg h ILE 71 CO 0.17 0.03 0.07 0.03 0.00 0.00 0.00 178.15 178.45 3fwg h ARG 72 N 0.18 0.27 -0.65 2.37 3.08 -1.12 -1.86 114.38 116.65 3fwg h ARG 72 Ca 0.13 -0.05 0.06 0.00 0.07 0.00 0.00 59.98 60.19 3fwg h ARG 72 Cb 0.12 -0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.07 3fwg h ARG 72 CO -0.15 0.36 0.35 0.93 -1.07 0.00 0.00 179.97 180.38 3fwg h GLU 73 N 0.13 0.62 -0.34 0.04 5.08 -1.11 -1.49 114.58 117.50 3fwg h GLU 73 Ca 0.06 -0.04 -0.17 0.00 -1.00 0.00 0.00 59.36 58.21 3fwg h GLU 73 Cb 0.19 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 3fwg h GLU 73 CO -0.00 0.41 -0.45 0.00 -1.00 0.00 0.00 179.01 177.96 3fwg h ALA 74 N 1.35 0.54 0.00 3.43 0.00 -0.90 -2.13 119.26 121.55 3fwg h ALA 74 Ca 0.30 -0.48 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 3fwg h ALA 74 Cb 0.22 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3fwg h ALA 74 CO -0.20 0.68 -0.10 1.88 0.00 0.00 0.00 179.25 181.51 3fwg h TYR 75 N 0.72 0.00 0.05 0.00 0.05 -0.98 -2.70 116.97 114.10 3fwg h TYR 75 Ca 0.04 0.00 -0.23 0.00 0.05 0.00 0.00 58.73 58.59 3fwg h TYR 75 Cb 1.05 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.78 3fwg h TYR 75 CO 0.07 0.10 -1.04 0.93 -1.05 0.00 0.00 178.16 177.17 3fwg h GLU 76 N 0.00 0.19 -4.03 4.88 5.08 -0.88 -3.41 114.58 116.41 3fwg h GLU 76 Ca -0.00 -0.27 -0.76 0.00 -1.00 0.00 0.00 59.36 57.33 3fwg h GLU 76 Cb 0.24 0.09 -0.18 0.00 0.50 0.00 0.00 28.75 29.40 3fwg h GLU 76 CO 0.01 1.07 1.50 -3.47 -1.00 0.00 0.00 179.01 177.13 3fwg n ASP 77 N -3.55 5.29 0.20 1.42 -0.08 -0.84 -4.80 116.55 114.19 3fwg n ASP 77 Ca -0.05 -3.07 0.15 0.00 -1.51 0.00 0.00 54.79 50.31 3fwg n ASP 77 Cb 0.92 -1.50 0.57 0.00 2.34 0.00 0.00 41.12 43.45 3fwg n ASP 77 CO 0.00 0.00 0.00 0.10 0.12 0.00 0.00 177.20 177.42 3fwg h TYR 78 N 6.42 0.00 -0.29 -0.67 -0.00 -1.77 -0.95 116.97 119.71 3fwg h TYR 78 Ca 0.33 0.00 -0.10 0.00 0.00 0.00 0.00 58.73 58.96 3fwg h TYR 78 Cb 0.76 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.47 3fwg h TYR 78 CO 1.12 0.00 -0.22 0.00 -0.00 0.00 0.00 178.16 179.06 3fwg h ARG 79 N 0.00 0.56 0.02 0.10 3.08 -1.95 -3.30 114.38 112.89 3fwg h ARG 79 Ca 0.00 -0.21 -0.36 0.00 0.07 0.00 0.00 59.98 59.49 3fwg h ARG 79 Cb 0.47 -0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.43 3fwg h ARG 79 CO 0.00 0.74 -2.21 0.72 -1.07 0.00 0.00 179.97 178.15 3fwg n HIS 80 N -4.13 0.40 -3.75 3.04 8.25 -1.11 -4.65 115.22 113.25 3fwg n HIS 80 Ca -0.00 0.11 -0.36 0.00 -0.26 0.00 0.00 57.72 57.21 3fwg n HIS 80 Cb 0.40 -1.06 -0.11 0.00 1.12 0.00 0.00 29.99 30.34 3fwg n HIS 80 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3fwg s PHE 81 N -2.53 3.47 0.18 4.41 0.08 -0.38 -1.40 117.98 121.83 3fwg s PHE 81 Ca -0.17 -2.62 -0.15 0.00 0.12 0.00 0.00 56.93 54.11 3fwg s PHE 81 Cb 0.07 -3.19 -0.07 0.00 -0.57 0.00 0.00 43.02 39.26 3fwg s PHE 81 CO 0.76 -0.89 0.60 0.45 -0.10 0.00 0.00 175.22 176.04 3fwg s SER 82 N 1.11 6.85 0.00 1.36 0.15 0.32 -4.30 113.70 119.20 3fwg s SER 82 Ca 0.13 1.15 0.19 0.00 0.70 0.00 0.00 55.95 58.13 3fwg s SER 82 Cb -0.22 -2.32 0.86 0.00 -1.71 0.00 0.00 66.02 62.64 3fwg s SER 82 CO -0.04 0.05 1.59 -1.54 1.20 0.00 0.00 173.24 174.50 3fwg n SER 83 N 0.60 1.04 -0.20 5.45 3.41 -1.26 -0.63 113.62 122.03 3fwg n SER 83 Ca -0.03 -1.61 0.12 0.00 -0.26 0.00 0.00 58.87 57.09 3fwg n SER 83 Cb 0.52 -0.07 0.43 0.00 -0.26 0.00 0.00 64.21 64.83 3fwg n SER 83 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3fwg h GLU 84 N 1.37 0.56 -2.74 4.33 4.81 -1.85 -3.25 114.58 117.81 3fwg h GLU 84 Ca 0.00 -0.03 -0.60 0.00 -0.13 0.00 0.00 59.36 58.59 3fwg h GLU 84 Cb 0.30 -0.13 -0.40 0.00 0.63 0.00 0.00 28.75 29.16 3fwg h GLU 84 CO 0.00 0.37 -0.80 0.00 -0.73 0.00 0.00 179.01 177.85 3fwg n PRO 86 N 3.08 1.15 -4.40 0.00 -0.04 -1.23 -3.75 135.00 129.82 3fwg n PRO 86 Ca 0.18 -0.87 -0.30 0.00 -0.04 0.00 0.00 63.50 62.47 3fwg n PRO 86 Cb 0.39 -1.48 -0.11 0.00 -0.04 0.00 0.00 33.50 32.26 3fwg n PRO 86 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3fwg s PHE 87 N -2.44 2.65 -0.11 0.54 0.40 -1.26 -1.18 117.98 116.57 3fwg s PHE 87 Ca 0.22 -0.20 -0.06 0.00 -0.60 0.00 0.00 56.93 56.29 3fwg s PHE 87 Cb 0.19 -1.44 -0.04 0.00 0.51 0.00 0.00 43.02 42.24 3fwg s PHE 87 CO 0.53 0.36 0.10 0.42 0.70 0.00 0.00 175.22 177.33 3fwg s ILE 88 N -1.08 5.17 0.91 0.64 -1.09 -1.26 -2.81 121.20 121.67 3fwg s ILE 88 Ca 0.18 0.08 -0.14 0.00 -2.23 0.00 0.00 60.65 58.54 3fwg s ILE 88 Cb -0.11 -3.24 0.14 0.00 -1.58 0.00 0.00 42.46 37.68 3fwg s ILE 88 CO 0.09 0.61 1.21 -2.16 -1.23 0.00 0.00 174.94 173.46 3fwg s PRO 89 N -0.95 1.15 0.29 2.79 0.04 -1.26 -4.86 135.00 132.21 3fwg s PRO 89 Ca 0.14 -0.01 0.03 0.00 0.04 0.00 0.00 61.00 61.20 3fwg s PRO 89 Cb -0.12 -1.87 0.60 0.00 0.04 0.00 0.00 34.50 33.16 3fwg s PRO 89 CO 0.03 -2.14 1.84 -0.09 0.04 0.00 0.00 177.00 176.69 3fwg h ARG 90 N -1.45 0.92 -0.64 4.56 2.43 -1.80 -0.56 114.38 117.84 3fwg h ARG 90 Ca -0.47 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 58.65 3fwg h ARG 90 Cb 1.30 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 30.61 3fwg h ARG 90 CO 0.55 0.61 0.39 0.93 -1.51 0.00 0.00 179.97 180.93 3fwg h GLU 91 N 0.95 0.86 -0.10 0.20 3.07 -1.97 0.18 114.58 117.76 3fwg h GLU 91 Ca 0.50 -0.07 -0.07 0.00 -0.50 0.00 0.00 59.36 59.22 3fwg h GLU 91 Cb 0.54 -0.19 0.00 0.00 -0.84 0.00 0.00 28.75 28.27 3fwg h GLU 91 CO -0.26 0.60 -0.19 0.00 -1.40 0.00 0.00 179.01 177.75 3fwg h ALA 92 N 1.55 0.16 -0.86 3.43 0.00 -1.43 -2.09 119.26 120.02 3fwg h ALA 92 Ca 0.23 -0.36 0.04 0.00 0.00 0.00 0.00 54.91 54.82 3fwg h ALA 92 Cb -0.04 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 3fwg h ALA 92 CO -0.04 0.10 0.57 0.78 0.00 0.00 0.00 179.25 180.65 3fwg h GLY 93 N -0.13 1.23 0.99 0.00 0.00 -0.75 0.72 103.07 105.14 3fwg h GLY 93 Ca 0.00 -0.42 -0.14 0.00 0.00 0.00 0.00 47.33 46.78 3fwg h GLY 93 CO 0.04 0.36 -0.37 0.83 0.00 0.00 0.00 176.54 177.40 3fwg h GLU 94 N 1.06 0.72 -0.15 4.80 5.08 -0.67 -3.00 114.58 122.41 3fwg h GLU 94 Ca 0.35 -0.42 -0.07 0.00 -1.00 0.00 0.00 59.36 58.22 3fwg h GLU 94 Cb 0.05 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 3fwg h GLU 94 CO -0.11 1.04 -0.23 0.00 -1.00 0.00 0.00 179.01 178.71 3fwg h ALA 95 N 0.67 1.34 -2.36 3.43 0.00 -0.98 -3.44 119.26 117.92 3fwg h ALA 95 Ca 0.03 -0.29 -0.53 0.00 0.00 0.00 0.00 54.91 54.12 3fwg h ALA 95 Cb 0.95 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.67 3fwg h ALA 95 CO 0.09 0.45 1.22 -0.47 0.00 0.00 0.00 179.25 180.54 3fwg s TYR 96 N -4.52 1.35 -0.00 0.00 6.14 0.21 -4.83 117.35 115.69 3fwg s TYR 96 Ca -0.05 -0.41 0.00 0.00 0.64 0.00 0.00 57.07 57.25 3fwg s TYR 96 Cb 0.15 -4.23 0.01 0.00 0.42 0.00 0.00 41.96 38.31 3fwg s TYR 96 CO 0.75 -5.46 0.98 -0.40 0.64 0.00 0.00 175.55 172.06 3fwg n ASP 97 N 7.46 0.06 -4.74 4.32 5.75 -1.26 -4.88 116.55 123.26 3fwg n ASP 97 Ca 0.20 -1.99 -0.37 0.00 -0.01 0.00 0.00 54.79 52.62 3fwg n ASP 97 Cb 0.41 -0.20 0.06 0.00 -1.03 0.00 0.00 41.12 40.36 3fwg n ASP 97 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 3fwg s PHE 98 N -0.07 2.16 -0.08 2.11 0.08 -1.26 -4.79 117.98 116.12 3fwg s PHE 98 Ca 0.01 1.45 0.03 0.00 0.12 0.00 0.00 56.93 58.55 3fwg s PHE 98 Cb 0.01 -3.71 -0.02 0.00 -0.57 0.00 0.00 43.02 38.73 3fwg s PHE 98 CO 0.00 -2.87 -0.18 0.42 -0.10 0.00 0.00 175.22 172.49 3fwg s ILE 99 N -1.38 2.64 -1.94 0.64 1.01 -0.49 -0.93 121.20 120.75 3fwg s ILE 99 Ca 0.79 -0.84 0.28 0.00 0.00 0.00 0.00 60.65 60.88 3fwg s ILE 99 Cb -0.38 -2.04 0.45 0.00 0.01 0.00 0.00 42.46 40.50 3fwg s ILE 99 CO 0.41 0.56 1.75 -0.81 0.00 0.00 0.00 174.94 176.86 3fwg n PRO 100 N 2.97 1.03 0.04 2.79 -0.05 -1.26 -4.04 135.00 136.48 3fwg n PRO 100 Ca -0.18 -0.51 0.03 0.00 -0.05 0.00 0.00 63.50 62.80 3fwg n PRO 100 Cb 0.52 -1.49 0.41 0.00 -0.05 0.00 0.00 33.50 32.90 3fwg n PRO 100 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 175.50 176.60 3fwg h THR 101 N 1.24 1.12 -0.00 0.52 2.02 -1.93 -1.33 112.91 114.55 3fwg h THR 101 Ca 0.00 -0.37 0.00 0.00 0.77 0.00 0.00 66.41 66.81 3fwg h THR 101 Cb 0.42 0.73 0.00 0.00 -1.74 0.00 0.00 68.15 67.56 3fwg h THR 101 CO 0.00 0.14 0.00 -1.54 0.37 0.00 0.00 175.52 174.49 3fwg n SER 102 N -4.42 0.06 -4.59 4.18 3.41 -0.11 -4.74 113.62 107.42 3fwg n SER 102 Ca 0.02 -1.24 -0.31 0.00 -0.26 0.00 0.00 58.87 57.07 3fwg n SER 102 Cb 0.13 -0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.97 3fwg n SER 102 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 3fwg s MET 103 N -2.00 2.45 0.29 4.33 -1.94 -0.50 -3.59 119.30 118.33 3fwg s MET 103 Ca 0.37 -0.80 0.02 0.00 -1.71 0.00 0.00 55.69 53.58 3fwg s MET 103 Cb 0.17 -2.45 -0.03 0.00 2.01 0.00 0.00 34.83 34.53 3fwg s MET 103 CO 0.29 0.58 0.45 -0.51 -0.01 0.00 0.00 175.02 175.82 3fwg s ASP 104 N -1.61 6.31 0.69 3.03 1.01 -1.26 -4.69 116.67 120.15 3fwg s ASP 104 Ca 0.18 0.28 -0.17 0.00 0.71 0.00 0.00 52.55 53.55 3fwg s ASP 104 Cb -0.11 -1.95 0.02 0.00 1.01 0.00 0.00 42.92 41.88 3fwg s ASP 104 CO 0.09 -0.17 1.27 -2.84 0.21 0.00 0.00 175.17 173.73 3fwg s PRO 105 N -4.08 2.27 0.35 8.23 0.02 -1.26 -1.51 135.00 139.03 3fwg s PRO 105 Ca 0.37 1.99 0.19 0.00 0.02 0.00 0.00 61.00 63.56 3fwg s PRO 105 Cb -0.09 -1.82 0.23 0.00 0.02 0.00 0.00 34.50 32.83 3fwg s PRO 105 CO 0.32 -1.79 1.53 -1.00 -0.33 0.00 0.00 177.00 175.74 3fwg h PRO 106 N 0.12 0.00 -0.13 5.54 0.13 -2.02 -3.46 132.00 132.19 3fwg h PRO 106 Ca -0.50 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.62 3fwg h PRO 106 Cb 1.33 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.45 3fwg h PRO 106 CO 0.51 0.28 0.03 0.93 -0.23 0.00 0.00 178.00 179.53 3fwg h GLU 107 N 0.00 0.17 -0.69 0.86 3.07 -1.88 -2.81 114.58 113.30 3fwg h GLU 107 Ca -0.00 -0.02 0.02 0.00 -0.50 0.00 0.00 59.36 58.86 3fwg h GLU 107 Cb 1.19 -0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 29.03 3fwg h GLU 107 CO 0.04 0.16 0.46 0.37 -1.40 0.00 0.00 179.01 178.64 3fwg h GLN 108 N 0.18 0.87 -0.60 2.33 4.15 -1.55 -3.35 115.11 117.14 3fwg h GLN 108 Ca 0.05 -0.05 -0.07 0.00 0.77 0.00 0.00 58.65 59.35 3fwg h GLN 108 Cb 0.07 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 27.54 3fwg h GLN 108 CO -0.00 0.57 0.12 0.00 -1.93 0.00 0.00 178.83 177.59 3fwg h ARG 109 N 0.89 0.98 -0.75 1.69 3.08 -1.78 -1.53 114.38 116.95 3fwg h ARG 109 Ca 0.26 -0.25 0.01 0.00 0.07 0.00 0.00 59.98 60.07 3fwg h ARG 109 Cb -0.03 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 29.86 3fwg h ARG 109 CO -0.07 0.91 0.50 -0.56 -1.07 0.00 0.00 179.97 179.69 3fwg h GLN 110 N 0.89 0.99 -0.10 0.04 3.07 -1.79 -0.26 115.11 117.93 3fwg h GLN 110 Ca 0.19 -0.06 -0.21 0.00 0.09 0.00 0.00 58.65 58.66 3fwg h GLN 110 Cb 0.39 -0.22 0.00 0.00 0.08 0.00 0.00 27.48 27.73 3fwg h GLN 110 CO 0.01 0.65 -0.78 0.74 0.09 0.00 0.00 178.83 179.54 3fwg h PHE 111 N 1.02 0.80 -0.61 0.06 0.04 -1.61 -3.07 116.94 113.56 3fwg h PHE 111 Ca 0.28 -0.36 -0.05 0.00 2.80 0.00 0.00 57.97 60.63 3fwg h PHE 111 Cb -0.11 -0.12 -0.03 0.00 2.20 0.00 0.00 35.95 37.90 3fwg h PHE 111 CO -0.00 1.16 0.16 -0.09 -0.60 0.00 0.00 178.31 178.94 3fwg h ARG 112 N 0.39 0.94 -0.54 1.51 2.43 -0.74 -1.21 114.38 117.17 3fwg h ARG 112 Ca -0.05 -0.19 0.06 0.00 -0.81 0.00 0.00 59.98 58.99 3fwg h ARG 112 Cb 1.38 -0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 30.74 3fwg h ARG 112 CO 0.15 0.83 0.25 0.00 -1.51 0.00 0.00 179.97 179.68 3fwg h ALA 113 N 1.27 0.69 -0.46 2.80 0.00 -1.01 0.94 119.26 123.49 3fwg h ALA 113 Ca 0.20 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 3fwg h ALA 113 Cb 0.30 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3fwg h ALA 113 CO -0.00 -0.12 0.12 1.25 0.00 0.00 0.00 179.25 180.49 3fwg h LEU 114 N 0.47 0.69 -0.58 0.00 5.85 -1.33 -2.52 115.31 117.89 3fwg h LEU 114 Ca 0.25 -0.23 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 3fwg h LEU 114 Cb 0.21 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 3fwg h LEU 114 CO -0.20 0.74 0.28 0.00 -0.34 0.00 0.00 178.44 178.91 3fwg h ALA 115 N 0.98 0.74 -0.19 1.25 0.00 -0.83 -1.90 119.26 119.31 3fwg h ALA 115 Ca 0.14 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.94 3fwg h ALA 115 Cb 0.31 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3fwg h ALA 115 CO 0.00 0.31 0.13 -0.97 0.00 0.00 0.00 179.25 178.71 3fwg h ASN 116 N 0.78 0.14 0.56 0.00 -1.24 -0.72 -0.48 115.58 114.62 3fwg h ASN 116 Ca 0.20 -0.00 -0.06 0.00 0.71 0.00 0.00 56.30 57.15 3fwg h ASN 116 Cb 0.12 -0.03 -0.01 0.00 0.73 0.00 0.00 38.32 39.13 3fwg h ASN 116 CO -0.02 0.10 -0.27 1.56 -1.29 0.00 0.00 177.43 177.51 3fwg h GLN 117 N 0.17 0.00 0.00 6.67 4.20 -0.90 0.06 115.11 125.30 3fwg h GLN 117 Ca 0.08 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.67 3fwg h GLN 117 Cb 0.10 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.86 3fwg h GLN 117 CO -0.01 0.27 -1.34 1.33 -0.67 0.00 0.00 178.83 178.40 3fwg n VAL 118 N -3.71 1.00 -0.34 -0.54 0.24 -0.22 -4.38 118.33 110.39 3fwg n VAL 118 Ca -0.01 -0.65 0.00 0.00 -2.04 0.00 0.00 64.34 61.64 3fwg n VAL 118 Cb 0.38 -0.60 0.00 0.00 -1.47 0.00 0.00 33.84 32.14 3fwg n VAL 118 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 3fwg n VAL 119 N -2.81 0.53 -1.74 3.34 0.24 -1.04 -4.90 118.33 111.95 3fwg n VAL 119 Ca -0.07 -0.60 -0.30 0.00 -2.04 0.00 0.00 64.34 61.33 3fwg n VAL 119 Cb 0.76 0.80 0.22 0.00 -1.47 0.00 0.00 33.84 34.14 3fwg n VAL 119 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3fwg s GLY 120 N -0.53 1.77 0.28 7.63 0.00 0.00 -4.60 107.32 111.87 3fwg s GLY 120 Ca 0.00 -1.26 0.02 0.00 0.00 0.00 0.00 44.72 43.49 3fwg s GLY 120 CO 0.00 -0.41 1.71 1.98 0.00 0.00 0.00 173.10 176.38 3fwg h MET 121 N -1.98 0.42 -0.60 2.90 1.85 -1.91 -0.53 114.93 115.09 3fwg h MET 121 Ca -0.44 -0.03 -0.02 0.00 -0.61 0.00 0.00 59.70 58.61 3fwg h MET 121 Cb 1.23 -0.10 -0.03 0.00 0.43 0.00 0.00 31.60 33.14 3fwg h MET 121 CO 0.32 0.28 0.31 -1.35 -0.40 0.00 0.00 176.91 176.06 3fwg h PRO 122 N 0.43 0.83 -0.37 0.39 0.11 -1.93 -0.04 132.00 131.41 3fwg h PRO 122 Ca 0.53 -0.09 -0.15 0.00 0.11 0.00 0.00 66.00 66.40 3fwg h PRO 122 Cb 0.96 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.90 3fwg h PRO 122 CO -0.50 0.62 -0.37 0.28 -0.21 0.00 0.00 178.00 177.83 3fwg h VAL 123 N 0.83 1.28 -0.16 3.15 2.07 -1.45 -2.63 116.25 119.34 3fwg h VAL 123 Ca 0.21 -1.54 0.00 0.00 0.82 0.00 0.00 66.70 66.19 3fwg h VAL 123 Cb 0.05 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 3fwg h VAL 123 CO -0.03 0.51 0.10 0.58 0.02 0.00 0.00 177.57 178.75 3fwg h VAL 124 N 0.72 1.04 -0.82 2.57 2.07 -0.72 -1.32 116.25 119.79 3fwg h VAL 124 Ca 0.06 -0.08 0.14 0.00 0.82 0.00 0.00 66.70 67.64 3fwg h VAL 124 Cb 0.94 0.82 -0.09 0.00 -1.52 0.00 0.00 31.29 31.44 3fwg h VAL 124 CO 0.09 0.04 0.40 0.44 0.02 0.00 0.00 177.57 178.56 3fwg h ASP 125 N 0.21 0.47 -0.17 0.57 3.32 -1.00 -0.41 116.42 119.41 3fwg h ASP 125 Ca 0.06 0.09 -0.05 0.00 0.02 0.00 0.00 57.03 57.15 3fwg h ASP 125 Cb -0.02 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 3fwg h ASP 125 CO -0.01 0.20 -0.02 0.50 -1.72 0.00 0.00 179.24 178.18 3fwg h LYS 126 N 0.58 0.44 0.00 3.56 3.64 -1.01 -3.04 116.57 120.75 3fwg h LYS 126 Ca 0.45 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.74 3fwg h LYS 126 Cb 0.63 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 3fwg h LYS 126 CO -0.37 0.49 -0.63 1.28 -2.27 0.00 0.00 179.45 177.95 3fwg n LEU 127 N -4.29 0.62 -0.09 5.20 4.77 -0.29 -4.59 117.00 118.33 3fwg n LEU 127 Ca 0.01 0.15 -0.06 0.00 -0.03 0.00 0.00 56.01 56.07 3fwg n LEU 127 Cb 0.24 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 3fwg n LEU 127 CO 0.38 0.00 0.75 -0.08 -1.33 0.00 0.00 177.39 177.12 3fwg h GLU 128 N 0.00 -0.10 -0.81 3.23 4.81 -1.09 -0.50 114.58 120.13 3fwg h GLU 128 Ca 0.00 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 3fwg h GLU 128 Cb 0.68 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.04 3fwg h GLU 128 CO 0.00 -0.06 0.45 -0.91 -0.73 0.00 0.00 179.01 177.76 3fwg h ASN 129 N -0.10 1.01 0.14 1.04 4.21 -1.81 -1.00 115.58 119.07 3fwg h ASN 129 Ca 0.17 -0.09 -0.11 0.00 1.21 0.00 0.00 56.30 57.47 3fwg h ASN 129 Cb 0.36 -0.26 -0.01 0.00 -1.12 0.00 0.00 38.32 37.29 3fwg h ASN 129 CO -0.40 0.81 -0.40 0.03 -1.29 0.00 0.00 177.43 176.18 3fwg h ARG 130 N 1.13 0.34 -0.07 0.81 3.08 -1.67 0.15 114.38 118.14 3fwg h ARG 130 Ca 0.29 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 60.17 3fwg h ARG 130 Cb 0.02 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.06 3fwg h ARG 130 CO -0.05 0.69 0.04 0.82 -1.07 0.00 0.00 179.97 180.40 3fwg h ILE 131 N 0.29 1.09 -0.13 2.04 2.04 -0.65 -1.55 117.51 120.64 3fwg h ILE 131 Ca 0.03 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.62 3fwg h ILE 131 Cb 0.83 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 38.04 3fwg h ILE 131 CO 0.07 0.08 0.08 1.56 0.00 0.00 0.00 178.15 179.94 3fwg h GLN 132 N 0.01 0.17 -0.68 2.37 4.20 -0.99 -1.93 115.11 118.26 3fwg h GLN 132 Ca 0.03 -0.01 0.12 0.00 0.06 0.00 0.00 58.65 58.85 3fwg h GLN 132 Cb 0.10 -0.04 -0.09 0.00 0.30 0.00 0.00 27.48 27.75 3fwg h GLN 132 CO -0.00 0.12 0.22 1.49 -0.67 0.00 0.00 178.83 179.99 3fwg h GLU 133 N 0.17 0.35 -0.37 1.46 4.81 -0.95 -1.43 114.58 118.63 3fwg h GLU 133 Ca 0.05 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.12 3fwg h GLU 133 Cb -0.01 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 3fwg h GLU 133 CO -0.01 0.23 -0.29 1.25 -0.73 0.00 0.00 179.01 179.46 3fwg h LEU 134 N 0.36 0.89 0.05 1.64 5.85 -0.99 -0.12 115.31 122.99 3fwg h LEU 134 Ca 0.36 -0.45 0.02 0.00 0.84 0.00 0.00 57.88 58.65 3fwg h LEU 134 Cb 0.53 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 3fwg h LEU 134 CO -0.39 1.15 -0.14 0.00 -0.34 0.00 0.00 178.44 178.71 3fwg h ALA 135 N 0.77 -0.21 -0.44 1.25 0.00 -0.96 -0.85 119.26 118.82 3fwg h ALA 135 Ca 0.07 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.98 3fwg h ALA 135 Cb 0.87 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 3fwg h ALA 135 CO 0.08 -0.65 0.28 0.00 0.00 0.00 0.00 179.25 178.95 3fwg h SER 137 N 0.57 0.33 -0.45 0.00 0.87 -0.81 -0.66 113.55 113.40 3fwg h SER 137 Ca 0.17 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.61 3fwg h SER 137 Cb -0.04 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 61.84 3fwg h SER 137 CO -0.05 0.24 -0.16 -0.07 -0.53 0.00 0.00 176.83 176.26 3fwg h LEU 138 N 0.42 0.95 -0.24 2.23 3.38 -0.93 -2.80 115.31 118.31 3fwg h LEU 138 Ca 0.13 -0.33 -0.21 0.00 0.09 0.00 0.00 57.88 57.56 3fwg h LEU 138 Cb -0.01 -0.26 0.01 0.00 0.09 0.00 0.00 40.66 40.49 3fwg h LEU 138 CO -0.06 1.10 -0.74 0.40 0.09 0.00 0.00 178.44 179.23 3fwg h ILE 139 N 0.83 1.30 -0.61 1.22 2.04 -1.09 -2.64 117.51 118.55 3fwg h ILE 139 Ca 0.12 -1.97 -0.04 0.00 1.00 0.00 0.00 64.86 63.97 3fwg h ILE 139 Cb 0.71 1.96 -0.03 0.00 -0.74 0.00 0.00 36.82 38.72 3fwg h ILE 139 CO 0.05 0.62 0.20 -0.08 0.00 0.00 0.00 178.15 178.94 3fwg h GLU 140 N 0.50 0.91 -0.03 2.37 4.57 -1.13 0.32 114.58 122.09 3fwg h GLU 140 Ca -0.04 -0.17 -0.09 0.00 -1.18 0.00 0.00 59.36 57.88 3fwg h GLU 140 Cb 1.35 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 29.78 3fwg h GLU 140 CO 0.15 0.78 -0.42 0.77 -1.18 0.00 0.00 179.01 179.11 3fwg h SER 141 N 0.89 0.07 0.57 1.04 0.02 -1.45 -3.13 113.55 111.57 3fwg h SER 141 Ca 0.20 -0.03 -0.25 0.00 -0.84 0.00 0.00 61.79 60.87 3fwg h SER 141 Cb 0.24 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.76 3fwg h SER 141 CO -0.01 0.48 -1.13 -0.07 -1.14 0.00 0.00 176.83 174.97 3fwg h LEU 142 N 0.06 0.42 -0.55 5.07 3.38 -1.06 -3.40 115.31 119.22 3fwg h LEU 142 Ca 0.00 -0.41 0.11 0.00 0.09 0.00 0.00 57.88 57.68 3fwg h LEU 142 Cb 0.77 -0.13 -0.11 0.00 0.09 0.00 0.00 40.66 41.28 3fwg h LEU 142 CO 0.06 1.28 -0.19 -0.09 0.09 0.00 0.00 178.44 179.58 3fwg h ARG 143 N 0.11 -0.06 0.00 1.13 2.43 -0.88 -0.56 114.38 116.55 3fwg h ARG 143 Ca -0.11 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 3fwg h ARG 143 Cb 1.82 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.39 3fwg h ARG 143 CO 0.18 -0.04 0.00 -1.00 -1.51 0.00 0.00 179.97 177.61 3fwg h PRO 144 N -0.06 0.00 0.00 0.20 0.13 -1.78 -3.24 132.00 127.26 3fwg h PRO 144 Ca 0.26 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.33 3fwg h PRO 144 Cb 0.46 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.58 3fwg h PRO 144 CO -0.60 0.00 -0.28 1.96 -0.23 0.00 0.00 178.00 178.85 3fwg h GLN 145 N 0.00 0.00 0.00 0.86 4.20 -1.34 -3.45 115.11 115.38 3fwg h GLN 145 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3fwg h GLN 145 Cb 0.44 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.22 3fwg h GLN 145 CO 0.00 0.28 0.00 0.41 -0.67 0.00 0.00 178.83 178.85 3fwg n GLY 146 N 0.96 0.38 3.52 3.46 0.00 -1.22 -4.96 105.19 107.33 3fwg n GLY 146 Ca 0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.93 3fwg n GLY 146 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3fwg s GLN 147 N -0.58 0.85 0.14 1.61 -2.07 -1.26 -0.90 119.66 117.45 3fwg s GLN 147 Ca 0.00 -0.11 -0.18 0.00 -1.82 0.00 0.00 55.36 53.25 3fwg s GLN 147 Cb 0.00 0.40 0.05 0.00 -1.09 0.00 0.00 33.01 32.36 3fwg s GLN 147 CO 0.00 -0.33 0.48 0.00 -1.32 0.00 0.00 175.29 174.12 3fwg s ASN 149 N -2.79 6.45 0.36 0.00 0.01 -1.26 -1.16 114.94 116.55 3fwg s ASN 149 Ca 0.03 -2.11 0.05 0.00 -0.71 0.00 0.00 52.86 50.11 3fwg s ASN 149 Cb 0.01 -2.24 0.72 0.00 0.41 0.00 0.00 41.25 40.14 3fwg s ASN 149 CO -0.11 -0.80 1.99 0.15 -1.51 0.00 0.00 177.10 176.81 3fwg h PHE 150 N 8.49 0.75 -0.38 2.20 3.57 -1.52 0.17 116.94 130.21 3fwg h PHE 150 Ca -0.10 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.39 3fwg h PHE 150 Cb 1.07 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.54 3fwg h PHE 150 CO 0.90 0.43 0.16 1.79 -2.23 0.00 0.00 178.31 179.36 3fwg h THR 151 N 0.77 1.19 0.10 4.41 1.35 -1.93 -0.41 112.91 118.38 3fwg h THR 151 Ca 0.27 -0.58 -0.26 0.00 -0.55 0.00 0.00 66.41 65.29 3fwg h THR 151 Cb 0.10 0.86 0.00 0.00 -1.73 0.00 0.00 68.15 67.38 3fwg h THR 151 CO -0.08 0.21 -1.17 -0.33 -0.25 0.00 0.00 175.52 173.90 3fwg h GLU 152 N 0.47 0.31 0.00 4.72 5.08 -1.72 -0.94 114.58 122.49 3fwg h GLU 152 Ca 0.13 -0.47 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 3fwg h GLU 152 Cb 0.18 0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.59 3fwg h GLU 152 CO -0.01 1.19 -1.03 -0.25 -1.00 0.00 0.00 179.01 177.91 3fwg n ASP 153 N -3.59 0.61 0.08 1.42 8.00 0.51 -4.44 116.55 119.14 3fwg n ASP 153 Ca -0.08 -0.19 0.00 0.00 0.71 0.00 0.00 54.79 55.23 3fwg n ASP 153 Cb 0.98 0.79 0.00 0.00 -0.02 0.00 0.00 41.12 42.87 3fwg n ASP 153 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3fwg n TYR 154 N -1.99 -1.68 -0.28 1.24 4.19 -0.69 -4.81 117.16 113.14 3fwg n TYR 154 Ca 0.02 0.33 0.04 0.00 3.31 0.00 0.00 57.90 61.59 3fwg n TYR 154 Cb 0.44 0.89 0.25 0.00 0.49 0.00 0.00 39.34 41.41 3fwg n TYR 154 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 3fwg h ALA 155 N 0.00 1.53 0.00 2.98 0.00 -1.14 -1.12 119.26 121.52 3fwg h ALA 155 Ca 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3fwg h ALA 155 Cb 0.00 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 3fwg h ALA 155 CO 0.00 0.35 -0.01 0.93 0.00 0.00 0.00 179.25 180.52 3fwg h GLU 156 N 1.00 0.00 -0.67 0.00 5.08 -1.39 -3.38 114.58 115.22 3fwg h GLU 156 Ca 0.37 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.73 3fwg h GLU 156 Cb 0.18 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 3fwg h GLU 156 CO -0.13 0.04 0.41 -1.00 -1.00 0.00 0.00 179.01 177.32 3fwg h PRO 157 N -1.00 0.90 0.77 2.33 0.13 -1.75 -2.20 132.00 131.18 3fwg h PRO 157 Ca -0.00 -0.07 -0.04 0.00 -0.87 0.00 0.00 66.00 65.02 3fwg h PRO 157 Cb 0.04 -0.19 0.01 0.00 0.13 0.00 0.00 31.00 30.99 3fwg h PRO 157 CO -0.00 0.63 -0.37 0.35 -0.23 0.00 0.00 178.00 178.38 3fwg h PHE 158 N 0.92 -0.96 -0.24 1.56 3.57 -1.41 -0.57 116.94 119.81 3fwg h PHE 158 Ca 0.24 -0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.57 3fwg h PHE 158 Cb -0.04 0.32 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 3fwg h PHE 158 CO 0.00 -0.59 -0.47 -1.35 -2.23 0.00 0.00 178.31 173.67 3fwg h PRO 159 N -1.07 0.62 -0.24 6.41 0.11 -1.73 -3.26 132.00 132.83 3fwg h PRO 159 Ca -0.11 -0.35 -0.14 0.00 0.11 0.00 0.00 66.00 65.52 3fwg h PRO 159 Cb 0.80 0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.93 3fwg h PRO 159 CO 0.17 0.96 -0.38 0.82 -0.21 0.00 0.00 178.00 179.36 3fwg h ILE 160 N 0.49 1.31 -0.64 4.15 2.04 -1.34 -1.35 117.51 122.17 3fwg h ILE 160 Ca 0.03 -1.59 -0.01 0.00 1.00 0.00 0.00 64.86 64.29 3fwg h ILE 160 Cb 1.01 1.75 -0.03 0.00 -0.74 0.00 0.00 36.82 38.81 3fwg h ILE 160 CO 0.09 0.50 0.37 0.03 0.00 0.00 0.00 178.15 179.14 3fwg h ARG 161 N 0.39 0.87 -0.37 2.37 3.08 -1.22 0.07 114.38 119.56 3fwg h ARG 161 Ca 0.02 -0.08 -0.06 0.00 0.07 0.00 0.00 59.98 59.92 3fwg h ARG 161 Cb 0.97 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.83 3fwg h ARG 161 CO 0.09 0.63 -0.02 0.82 -1.07 0.00 0.00 179.97 180.42 3fwg h ILE 162 N 0.88 1.26 -0.57 2.04 1.08 -1.56 -0.91 117.51 119.74 3fwg h ILE 162 Ca 0.23 -1.03 0.02 0.00 -0.39 0.00 0.00 64.86 63.69 3fwg h ILE 162 Cb -0.01 1.18 -0.04 0.00 -3.07 0.00 0.00 36.82 34.89 3fwg h ILE 162 CO -0.04 0.34 0.35 0.15 -0.69 0.00 0.00 178.15 178.26 3fwg h PHE 163 N 0.49 0.66 -0.48 1.37 3.57 -0.65 -0.29 116.94 121.61 3fwg h PHE 163 Ca 0.10 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.57 3fwg h PHE 163 Cb 0.49 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.00 3fwg h PHE 163 CO 0.04 0.38 0.08 0.52 -2.23 0.00 0.00 178.31 177.10 3fwg h MET 164 N 0.70 0.74 0.01 1.11 2.86 -0.85 0.44 114.93 119.93 3fwg h MET 164 Ca 0.23 -0.15 -0.00 0.00 -2.06 0.00 0.00 59.70 57.71 3fwg h MET 164 Cb 0.01 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.56 3fwg h MET 164 CO -0.09 0.69 -0.01 1.25 1.06 0.00 0.00 176.91 179.81 3fwg h LEU 165 N 0.71 -0.01 -0.68 1.22 5.85 -0.79 0.37 115.31 121.97 3fwg h LEU 165 Ca 0.15 -0.08 0.07 0.00 0.84 0.00 0.00 57.88 58.87 3fwg h LEU 165 Cb 0.31 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.29 3fwg h LEU 165 CO 0.00 0.07 0.36 0.25 -0.34 0.00 0.00 178.44 178.78 3fwg h LEU 166 N -0.10 0.51 -0.08 2.25 5.85 -0.56 -2.54 115.31 120.64 3fwg h LEU 166 Ca -0.00 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.76 3fwg h LEU 166 Cb 0.09 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.07 3fwg h LEU 166 CO 0.00 0.31 -0.17 0.00 -0.34 0.00 0.00 178.44 178.25 3fwg n ALA 167 N -2.38 2.80 -3.26 1.25 0.00 0.10 -0.84 120.51 118.18 3fwg n ALA 167 Ca 0.09 -0.22 -0.19 0.00 0.00 0.00 0.00 53.44 53.12 3fwg n ALA 167 Cb 0.22 -1.33 0.06 0.00 0.00 0.00 0.00 19.45 18.39 3fwg n ALA 167 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fwg n GLY 168 N 1.42 -0.26 3.61 0.00 0.00 -0.04 -4.22 105.19 105.70 3fwg n GLY 168 Ca 0.09 0.05 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 3fwg n GLY 168 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fwg s LEU 169 N -5.93 3.21 0.26 0.99 1.43 -0.30 -5.04 118.68 113.31 3fwg s LEU 169 Ca 0.42 -0.13 -0.29 0.00 -1.03 0.00 0.00 54.13 53.09 3fwg s LEU 169 Cb -0.18 -1.85 -0.09 0.00 0.03 0.00 0.00 46.19 44.10 3fwg s LEU 169 CO 0.52 0.28 1.18 -2.84 0.23 0.00 0.00 176.35 175.72 3fwg s PRO 170 N -1.47 4.53 0.56 1.29 0.02 -1.26 -4.55 135.00 134.12 3fwg s PRO 170 Ca 0.18 1.93 0.24 0.00 0.02 0.00 0.00 61.00 63.36 3fwg s PRO 170 Cb -0.11 -3.18 1.55 0.00 0.02 0.00 0.00 34.50 32.78 3fwg s PRO 170 CO 0.08 0.02 2.18 0.93 -0.33 0.00 0.00 177.00 179.88 3fwg h GLU 171 N 4.17 0.00 0.00 5.54 5.08 -1.97 -1.75 114.58 125.65 3fwg h GLU 171 Ca -0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 3fwg h GLU 171 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 3fwg h GLU 171 CO 0.69 0.00 0.00 -0.85 -1.00 0.00 0.00 179.01 177.85 3fwg n GLU 172 N -4.17 0.05 0.00 2.33 0.28 -1.26 -1.59 120.64 116.28 3fwg n GLU 172 Ca -0.02 0.37 0.14 0.00 -0.16 0.00 0.00 57.16 57.49 3fwg n GLU 172 Cb 0.14 -1.60 0.52 0.00 1.43 0.00 0.00 31.44 31.93 3fwg n GLU 172 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 3fwg n ASP 173 N -1.69 0.46 -0.03 -1.84 8.00 -0.66 -4.36 116.55 116.44 3fwg n ASP 173 Ca 0.02 -0.39 -0.09 0.00 0.71 0.00 0.00 54.79 55.04 3fwg n ASP 173 Cb 0.13 -0.06 -0.03 0.00 -0.02 0.00 0.00 41.12 41.14 3fwg n ASP 173 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 3fwg h ILE 174 N 0.45 0.95 -0.91 0.53 2.04 -1.46 -2.09 117.51 117.01 3fwg h ILE 174 Ca 0.00 -0.04 0.10 0.00 1.00 0.00 0.00 64.86 65.92 3fwg h ILE 174 Cb 0.42 0.81 -0.08 0.00 -0.74 0.00 0.00 36.82 37.23 3fwg h ILE 174 CO 0.00 0.02 0.55 -0.65 0.00 0.00 0.00 178.15 178.07 3fwg h PRO 175 N 0.13 0.89 -0.11 2.37 0.11 -1.81 0.20 132.00 133.78 3fwg h PRO 175 Ca 0.07 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.11 3fwg h PRO 175 Cb 0.05 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 30.96 3fwg h PRO 175 CO -0.09 0.59 -0.02 1.25 -0.21 0.00 0.00 178.00 179.52 3fwg h HIS 176 N 0.92 0.23 -0.60 0.65 -0.00 -1.80 -1.65 115.15 112.90 3fwg h HIS 176 Ca 0.44 -0.05 -0.07 0.00 -0.00 0.00 0.00 60.37 60.69 3fwg h HIS 176 Cb 0.37 -0.06 -0.02 0.00 -0.00 0.00 0.00 27.41 27.70 3fwg h HIS 176 CO -0.03 0.51 0.10 -0.07 -0.00 0.00 0.00 177.93 178.44 3fwg h LEU 177 N -0.11 0.95 -0.72 0.26 3.38 -0.95 -1.91 115.31 116.21 3fwg h LEU 177 Ca 0.03 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 3fwg h LEU 177 Cb 0.43 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 3fwg h LEU 177 CO 0.01 0.97 0.40 0.50 0.09 0.00 0.00 178.44 180.40 3fwg h LYS 178 N 0.90 1.00 -0.38 1.13 1.63 -0.64 -0.36 116.57 119.85 3fwg h LYS 178 Ca 0.18 -0.11 0.03 0.00 -0.85 0.00 0.00 60.65 59.90 3fwg h LYS 178 Cb 0.42 -0.20 -0.03 0.00 -0.60 0.00 0.00 32.23 31.82 3fwg h LYS 178 CO 0.01 0.74 0.18 -0.92 -3.45 0.00 0.00 179.45 176.01 3fwg h TYR 179 N 0.99 0.33 -0.40 1.91 3.20 -0.96 -1.42 116.97 120.62 3fwg h TYR 179 Ca 0.25 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.13 3fwg h TYR 179 Cb 0.03 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.19 3fwg h TYR 179 CO -0.00 0.17 0.20 -0.07 -1.64 0.00 0.00 178.16 176.82 3fwg h LEU 180 N 0.37 0.51 -1.09 2.82 3.38 -0.94 -2.41 115.31 117.95 3fwg h LEU 180 Ca 0.16 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 3fwg h LEU 180 Cb 0.08 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3fwg h LEU 180 CO -0.12 0.47 0.02 0.71 0.09 0.00 0.00 178.44 179.62 3fwg h THR 181 N 0.51 1.22 0.00 0.22 1.35 -0.93 -1.86 112.91 113.42 3fwg h THR 181 Ca 0.14 -0.87 -0.07 0.00 -0.55 0.00 0.00 66.41 65.06 3fwg h THR 181 Cb 0.09 0.87 -0.01 0.00 -1.73 0.00 0.00 68.15 67.37 3fwg h THR 181 CO -0.02 0.30 -0.34 0.44 -0.25 0.00 0.00 175.52 175.66 3fwg h ASP 182 N 0.64 0.00 1.26 5.36 3.32 -1.03 -2.57 116.42 123.40 3fwg h ASP 182 Ca 0.13 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.18 3fwg h ASP 182 Cb 0.36 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.91 3fwg h ASP 182 CO 0.01 0.34 -0.00 1.56 -1.72 0.00 0.00 179.24 179.43 3fwg h GLN 183 N 0.00 0.00 0.00 3.56 1.08 -0.84 0.21 115.11 119.13 3fwg h GLN 183 Ca -0.00 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.18 3fwg h GLN 183 Cb 0.63 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.06 3fwg h GLN 183 CO 0.04 0.00 -0.62 0.52 -0.95 0.00 0.00 178.83 177.83 3fwg h MET 184 N 0.00 0.00 0.00 1.46 2.86 -1.34 -3.31 114.93 114.60 3fwg h MET 184 Ca -0.00 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.52 3fwg h MET 184 Cb 0.63 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.27 3fwg h MET 184 CO 0.00 0.06 -1.47 0.25 1.06 0.00 0.00 176.91 176.80 3fwg n THR 185 N -2.89 0.48 -3.24 2.22 -2.24 -1.07 -4.85 114.28 102.68 3fwg n THR 185 Ca 0.01 -0.18 -0.25 0.00 -2.27 0.00 0.00 64.05 61.36 3fwg n THR 185 Cb 0.58 -0.80 -0.07 0.00 -2.10 0.00 0.00 70.33 67.94 3fwg n THR 185 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3fwg n ARG 186 N -2.74 0.90 -1.82 -0.78 1.74 0.73 -1.43 116.66 113.25 3fwg n ARG 186 Ca -0.15 -3.40 -0.42 0.00 -0.77 0.00 0.00 57.85 53.12 3fwg n ARG 186 Cb 0.66 -1.37 -0.02 0.00 -1.02 0.00 0.00 32.46 30.70 3fwg n ARG 186 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3fwg s PRO 187 N -1.25 4.15 0.09 5.56 0.04 -1.22 -4.59 135.00 137.78 3fwg s PRO 187 Ca 0.35 2.53 0.26 0.00 0.04 0.00 0.00 61.00 64.18 3fwg s PRO 187 Cb 0.16 -3.04 0.73 0.00 0.04 0.00 0.00 34.50 32.39 3fwg s PRO 187 CO -0.10 -0.61 1.62 -0.40 0.04 0.00 0.00 177.00 177.55 3fwg n ASP 188 N 2.39 0.52 0.00 6.66 5.68 -1.26 -4.95 116.55 125.59 3fwg n ASP 188 Ca 0.09 0.28 0.00 0.00 -0.50 0.00 0.00 54.79 54.66 3fwg n ASP 188 Cb 0.38 -0.27 0.00 0.00 -1.14 0.00 0.00 41.12 40.09 3fwg n ASP 188 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3fwg n GLY 189 N 1.40 1.56 0.20 6.12 0.00 -1.26 -4.96 105.19 108.26 3fwg n GLY 189 Ca 0.05 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.13 3fwg n GLY 189 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3fwg h SER 190 N 0.00 0.00 -3.89 1.61 4.64 -2.00 -3.44 113.55 110.47 3fwg h SER 190 Ca 0.00 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.02 3fwg h SER 190 Cb 0.00 0.00 -0.28 0.00 -0.31 0.00 0.00 62.40 61.81 3fwg h SER 190 CO 0.00 0.33 -0.75 -0.04 -0.87 0.00 0.00 176.83 175.51 3fwg s MET 191 N -4.00 0.33 0.82 4.77 -1.94 -1.26 -5.11 119.30 112.90 3fwg s MET 191 Ca -0.02 -0.16 -0.12 0.00 -1.71 0.00 0.00 55.69 53.69 3fwg s MET 191 Cb 0.13 -0.31 0.08 0.00 2.01 0.00 0.00 34.83 36.74 3fwg s MET 191 CO 0.69 0.08 1.11 0.95 -0.01 0.00 0.00 175.02 177.84 3fwg s THR 192 N -0.13 2.85 0.19 2.05 -4.23 -1.26 -4.82 115.64 110.29 3fwg s THR 192 Ca 0.01 0.28 -0.12 0.00 -1.18 0.00 0.00 61.69 60.68 3fwg s THR 192 Cb -0.02 -3.03 0.11 0.00 1.34 0.00 0.00 72.50 70.89 3fwg s THR 192 CO -0.00 -0.36 1.77 0.15 -0.54 0.00 0.00 174.62 175.64 3fwg h PHE 193 N -1.16 0.44 -0.83 3.99 3.04 -1.94 -1.63 116.94 118.86 3fwg h PHE 193 Ca -0.48 0.02 0.02 0.00 3.98 0.00 0.00 57.97 61.51 3fwg h PHE 193 Cb 1.28 -0.12 -0.04 0.00 2.56 0.00 0.00 35.95 39.63 3fwg h PHE 193 CO 0.43 0.18 0.55 0.00 -2.02 0.00 0.00 178.31 177.44 3fwg h ALA 194 N 1.33 1.07 -0.53 2.41 0.00 -1.91 0.71 119.26 122.34 3fwg h ALA 194 Ca 0.26 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 3fwg h ALA 194 Cb 0.23 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3fwg h ALA 194 CO -0.22 0.43 0.10 0.93 0.00 0.00 0.00 179.25 180.50 3fwg h GLU 195 N 1.10 0.87 -0.57 0.00 5.08 -1.84 -0.30 114.58 118.93 3fwg h GLU 195 Ca 0.31 -0.23 -0.06 0.00 -1.00 0.00 0.00 59.36 58.39 3fwg h GLU 195 Cb -0.09 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.03 3fwg h GLU 195 CO -0.08 0.84 0.12 0.00 -1.00 0.00 0.00 179.01 178.89 3fwg h ALA 196 N 0.99 0.75 -0.40 3.43 0.00 -0.72 -1.42 119.26 121.90 3fwg h ALA 196 Ca 0.16 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 3fwg h ALA 196 Cb 0.38 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3fwg h ALA 196 CO 0.01 0.47 0.10 -0.22 0.00 0.00 0.00 179.25 179.61 3fwg h LYS 197 N 0.82 0.63 -0.54 0.00 3.64 -0.75 -0.64 116.57 119.73 3fwg h LYS 197 Ca 0.18 -0.15 0.08 0.00 -1.27 0.00 0.00 60.65 59.49 3fwg h LYS 197 Cb 0.37 -0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 32.04 3fwg h LYS 197 CO 0.01 0.65 0.18 1.49 -2.27 0.00 0.00 179.45 179.50 3fwg h GLU 198 N 0.50 0.33 -0.41 1.90 4.81 -0.88 -0.79 114.58 120.04 3fwg h GLU 198 Ca 0.13 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.25 3fwg h GLU 198 Cb 0.30 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 3fwg h GLU 198 CO -0.00 0.22 -0.10 0.00 -0.73 0.00 0.00 179.01 178.40 3fwg h ALA 199 N 1.38 1.05 -0.50 2.92 0.00 -0.83 0.46 119.26 123.73 3fwg h ALA 199 Ca 0.27 -0.30 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 3fwg h ALA 199 Cb 0.32 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3fwg h ALA 199 CO -0.29 0.58 -0.12 1.25 0.00 0.00 0.00 179.25 180.67 3fwg h LEU 200 N 0.66 0.97 -0.56 0.00 5.85 -0.62 -1.97 115.31 119.66 3fwg h LEU 200 Ca 0.12 -0.36 -0.10 0.00 0.84 0.00 0.00 57.88 58.38 3fwg h LEU 200 Cb 0.55 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 3fwg h LEU 200 CO 0.03 1.11 -0.04 1.88 -0.34 0.00 0.00 178.44 181.08 3fwg h TYR 201 N 0.82 1.11 -0.94 1.25 0.05 -0.98 -1.76 116.97 116.52 3fwg h TYR 201 Ca 0.13 -0.21 0.04 0.00 0.05 0.00 0.00 58.73 58.74 3fwg h TYR 201 Cb 0.68 -0.28 -0.06 0.00 1.01 0.00 0.00 36.73 38.08 3fwg h TYR 201 CO 0.05 1.01 0.62 0.22 -1.05 0.00 0.00 178.16 179.01 3fwg h ASP 202 N 0.89 1.01 -0.39 3.88 3.58 -0.76 0.51 116.42 125.14 3fwg h ASP 202 Ca 0.15 -0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.59 3fwg h ASP 202 Cb 0.60 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.41 3fwg h ASP 202 CO 0.04 0.68 0.21 0.22 -2.88 0.00 0.00 179.24 177.50 3fwg h TYR 203 N 1.16 0.54 0.02 0.28 5.03 -1.04 -3.30 116.97 119.66 3fwg h TYR 203 Ca 0.38 -0.02 -0.21 0.00 2.58 0.00 0.00 58.73 61.47 3fwg h TYR 203 Cb 0.06 -0.17 -0.01 0.00 1.55 0.00 0.00 36.73 38.15 3fwg h TYR 203 CO -0.00 0.42 -0.94 -0.07 -1.32 0.00 0.00 178.16 176.25 3fwg h LEU 204 N 0.50 0.23 -0.32 2.82 3.38 -0.43 -3.38 115.31 118.10 3fwg h LEU 204 Ca 0.14 -0.20 0.07 0.00 0.09 0.00 0.00 57.88 57.97 3fwg h LEU 204 Cb 0.07 -0.07 -0.08 0.00 0.09 0.00 0.00 40.66 40.66 3fwg h LEU 204 CO -0.02 1.04 -0.38 0.40 0.09 0.00 0.00 178.44 179.57 3fwg h ILE 205 N 0.08 0.17 0.00 1.22 2.04 -1.01 0.61 117.51 120.62 3fwg h ILE 205 Ca -0.05 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.74 3fwg h ILE 205 Cb 1.60 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.85 3fwg h ILE 205 CO 0.14 0.00 -0.32 1.55 0.00 0.00 0.00 178.15 179.52 3fwg h PRO 206 N -0.34 0.00 -0.12 2.37 0.13 -1.77 -2.03 132.00 130.24 3fwg h PRO 206 Ca 0.13 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 65.07 3fwg h PRO 206 Cb 0.57 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.71 3fwg h PRO 206 CO -0.51 0.32 -0.69 0.82 -0.23 0.00 0.00 178.00 177.71 3fwg h ILE 207 N 0.00 1.32 -0.34 -3.56 2.04 -1.46 -1.19 117.51 114.32 3fwg h ILE 207 Ca -0.00 -1.95 -0.01 0.00 1.00 0.00 0.00 64.86 63.90 3fwg h ILE 207 Cb 0.64 2.12 -0.02 0.00 -0.74 0.00 0.00 36.82 38.83 3fwg h ILE 207 CO 0.04 0.60 0.19 0.40 0.00 0.00 0.00 178.15 179.38 3fwg h ILE 208 N 0.35 1.13 -0.51 -0.67 2.04 -0.79 -1.50 117.51 117.56 3fwg h ILE 208 Ca -0.05 -0.35 0.03 0.00 1.00 0.00 0.00 64.86 65.49 3fwg h ILE 208 Cb 1.34 0.75 -0.04 0.00 -0.74 0.00 0.00 36.82 38.13 3fwg h ILE 208 CO 0.14 0.14 0.29 -0.08 0.00 0.00 0.00 178.15 178.64 3fwg h GLU 209 N 0.42 0.55 -0.88 2.37 4.57 -1.31 -0.92 114.58 119.40 3fwg h GLU 209 Ca 0.12 -0.03 0.03 0.00 -1.18 0.00 0.00 59.36 58.29 3fwg h GLU 209 Cb 0.05 -0.13 -0.05 0.00 -0.16 0.00 0.00 28.75 28.47 3fwg h GLU 209 CO -0.02 0.37 0.57 0.37 -1.18 0.00 0.00 179.01 179.12 3fwg h GLN 210 N 0.57 1.08 0.00 1.92 4.15 -0.98 -2.35 115.11 119.51 3fwg h GLN 210 Ca 0.21 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.57 3fwg h GLN 210 Cb 0.07 -0.24 0.00 0.00 0.21 0.00 0.00 27.48 27.51 3fwg h GLN 210 CO -0.12 0.72 -0.24 0.00 -1.93 0.00 0.00 178.83 177.26 3fwg h ARG 211 N 1.11 0.00 0.00 1.69 3.08 -0.85 -0.40 114.38 119.02 3fwg h ARG 211 Ca 0.34 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 60.22 3fwg h ARG 211 Cb -0.02 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 3fwg h ARG 211 CO -0.11 0.00 -0.81 0.00 -1.07 0.00 0.00 179.97 177.98 3fwg h ARG 212 N 0.00 0.00 0.24 0.04 3.08 -0.81 -2.86 114.38 114.07 3fwg h ARG 212 Ca 0.00 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.71 3fwg h ARG 212 Cb 0.75 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.83 3fwg h ARG 212 CO 0.00 0.81 -1.54 1.96 -1.07 0.00 0.00 179.97 180.13 3fwg h GLN 213 N 0.00 0.51 -2.69 0.04 1.08 -1.21 -3.41 115.11 109.43 3fwg h GLN 213 Ca -0.01 -0.88 -0.60 0.00 -1.45 0.00 0.00 58.65 55.71 3fwg h GLN 213 Cb 1.59 0.33 -0.40 0.00 -0.05 0.00 0.00 27.48 28.95 3fwg h GLN 213 CO 0.11 1.42 -0.79 0.15 -0.95 0.00 0.00 178.83 178.76 3fwg s LYS 214 N -2.60 1.59 0.13 1.46 1.02 -0.18 -5.11 119.74 116.07 3fwg s LYS 214 Ca -0.10 -2.65 -0.31 0.00 0.02 0.00 0.00 55.97 52.93 3fwg s LYS 214 Cb 0.04 -2.31 -0.11 0.00 -0.52 0.00 0.00 37.83 34.93 3fwg s LYS 214 CO 0.93 -1.34 1.84 -2.14 -0.92 0.00 0.00 175.35 173.72 3fwg s PRO 215 N -0.59 4.13 0.00 -1.68 0.02 -1.08 -4.52 135.00 131.28 3fwg s PRO 215 Ca 0.29 2.62 0.00 0.00 0.02 0.00 0.00 61.00 63.93 3fwg s PRO 215 Cb -0.01 -3.56 0.00 0.00 0.02 0.00 0.00 34.50 30.96 3fwg s PRO 215 CO -0.18 -0.85 0.00 0.41 -0.33 0.00 0.00 177.00 176.05 3fwg n GLY 216 N 4.24 1.00 0.29 0.52 0.00 -1.26 -5.05 105.19 104.93 3fwg n GLY 216 Ca 0.18 -1.91 0.03 0.00 0.00 0.00 0.00 46.02 44.32 3fwg n GLY 216 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3fwg n THR 217 N -0.17 0.40 -1.23 2.61 -2.24 -1.26 -4.66 114.28 107.73 3fwg n THR 217 Ca 0.00 -0.70 -0.30 0.00 -2.27 0.00 0.00 64.05 60.78 3fwg n THR 217 Cb 0.00 0.88 0.13 0.00 -2.10 0.00 0.00 70.33 69.24 3fwg n THR 217 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3fwg s ASP 218 N -0.71 3.59 0.28 3.42 -4.77 -1.26 -4.79 116.67 112.43 3fwg s ASP 218 Ca 0.09 1.49 -0.00 0.00 -3.30 0.00 0.00 52.55 50.83 3fwg s ASP 218 Cb 0.06 -2.17 0.50 0.00 -1.09 0.00 0.00 42.92 40.21 3fwg s ASP 218 CO 0.08 -2.57 1.86 0.00 0.70 0.00 0.00 175.17 175.24 3fwg h ALA 219 N -1.50 1.48 -0.36 2.11 0.00 -1.21 -1.32 119.26 118.46 3fwg h ALA 219 Ca -0.49 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.34 3fwg h ALA 219 Cb 1.28 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 3fwg h ALA 219 CO 0.55 0.32 -0.11 0.82 0.00 0.00 0.00 179.25 180.83 3fwg h ILE 220 N 1.07 1.28 -0.78 0.00 2.04 -1.82 -1.65 117.51 117.64 3fwg h ILE 220 Ca 0.47 -1.19 0.03 0.00 1.00 0.00 0.00 64.86 65.17 3fwg h ILE 220 Cb 0.36 1.31 -0.05 0.00 -0.74 0.00 0.00 36.82 37.70 3fwg h ILE 220 CO -0.23 0.39 0.50 0.28 0.00 0.00 0.00 178.15 179.10 3fwg h SER 221 N 0.50 0.83 -0.49 1.72 0.02 -1.75 0.78 113.55 115.15 3fwg h SER 221 Ca 0.09 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.00 3fwg h SER 221 Cb 0.63 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.96 3fwg h SER 221 CO 0.04 0.58 0.19 0.40 -1.14 0.00 0.00 176.83 176.90 3fwg h ILE 222 N 0.98 1.21 0.00 3.27 2.04 -1.06 -1.20 117.51 122.76 3fwg h ILE 222 Ca 0.31 -0.67 -0.00 0.00 1.00 0.00 0.00 64.86 65.50 3fwg h ILE 222 Cb -0.00 0.73 0.00 0.00 -0.74 0.00 0.00 36.82 36.80 3fwg h ILE 222 CO -0.11 0.25 -0.00 0.58 0.00 0.00 0.00 178.15 178.87 3fwg h VAL 223 N 0.66 1.24 0.00 1.67 2.07 -1.10 -2.58 116.25 118.21 3fwg h VAL 223 Ca 0.16 -0.71 -0.03 0.00 0.82 0.00 0.00 66.70 66.94 3fwg h VAL 223 Cb 0.20 1.72 -0.00 0.00 -1.52 0.00 0.00 31.29 31.69 3fwg h VAL 223 CO -0.01 0.18 -0.16 0.00 0.02 0.00 0.00 177.57 177.60 3fwg h ALA 224 N 0.68 1.08 -0.49 1.67 0.00 -0.67 -1.02 119.26 120.51 3fwg h ALA 224 Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3fwg h ALA 224 Cb 0.31 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3fwg h ALA 224 CO 0.00 0.20 0.00 0.09 0.00 0.00 0.00 179.25 179.54 3fwg n ASN 225 N -3.41 3.73 -4.83 0.00 3.02 -0.47 -4.82 115.26 108.49 3fwg n ASN 225 Ca -0.00 -2.24 -0.29 0.00 -0.03 0.00 0.00 54.58 52.01 3fwg n ASN 225 Cb 0.35 -0.41 0.12 0.00 -0.61 0.00 0.00 39.78 39.23 3fwg n ASN 225 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3fwg s GLY 226 N -1.10 1.58 0.11 7.41 0.00 -0.39 -4.87 107.32 110.06 3fwg s GLY 226 Ca 0.38 -0.58 0.09 0.00 0.00 0.00 0.00 44.72 44.61 3fwg s GLY 226 CO 0.21 -0.05 -0.20 1.20 0.00 0.00 0.00 173.10 174.26 3fwg s GLN 227 N -5.41 1.74 -0.17 2.90 -0.21 -1.26 -1.67 119.66 115.58 3fwg s GLN 227 Ca 0.63 -1.19 0.01 0.00 0.02 0.00 0.00 55.36 54.83 3fwg s GLN 227 Cb -0.13 -2.08 0.03 0.00 1.00 0.00 0.00 33.01 31.82 3fwg s GLN 227 CO 0.52 0.48 -0.16 0.14 -2.12 0.00 0.00 175.29 174.14 3fwg s VAL 228 N -1.11 1.84 -1.64 1.09 -7.23 0.60 -4.69 120.40 109.26 3fwg s VAL 228 Ca 0.17 -0.86 -0.14 0.00 -1.81 0.00 0.00 61.98 59.33 3fwg s VAL 228 Cb -0.10 -1.72 0.12 0.00 0.56 0.00 0.00 36.38 35.24 3fwg s VAL 228 CO 0.09 0.44 0.67 0.59 -0.31 0.00 0.00 175.10 176.58 3fwg n ASN 229 N 4.67 -2.46 0.00 4.85 4.13 -1.26 -1.53 115.26 123.66 3fwg n ASN 229 Ca -0.18 -1.03 0.00 0.00 1.68 0.00 0.00 54.58 55.05 3fwg n ASN 229 Cb 0.49 -2.74 0.00 0.00 -1.54 0.00 0.00 39.78 35.99 3fwg n ASN 229 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3fwg n GLY 230 N -1.57 0.82 3.58 7.41 0.00 -1.26 -5.04 105.19 109.13 3fwg n GLY 230 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 3fwg n GLY 230 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3fwg s ARG 231 N -0.02 2.12 0.32 1.61 1.04 -0.58 -5.05 118.95 118.39 3fwg s ARG 231 Ca 0.00 -1.11 -0.29 0.00 -1.04 0.00 0.00 55.73 53.29 3fwg s ARG 231 Cb 0.00 -2.26 -0.11 0.00 -2.04 0.00 0.00 34.95 30.54 3fwg s ARG 231 CO 0.00 0.48 1.46 -2.14 -0.04 0.00 0.00 175.30 175.06 3fwg s PRO 232 N -2.46 4.20 0.43 3.89 0.02 -1.26 -0.29 135.00 139.53 3fwg s PRO 232 Ca 0.23 2.44 -0.24 0.00 0.02 0.00 0.00 61.00 63.45 3fwg s PRO 232 Cb -0.10 -3.03 -0.08 0.00 0.02 0.00 0.00 34.50 31.30 3fwg s PRO 232 CO 0.15 -0.45 1.14 -1.50 -0.33 0.00 0.00 177.00 176.00 3fwg s ILE 233 N -0.64 3.27 0.58 2.83 2.07 -0.67 -4.79 121.20 123.85 3fwg s ILE 233 Ca 0.56 0.98 -0.06 0.00 -1.41 0.00 0.00 60.65 60.71 3fwg s ILE 233 Cb -0.44 -3.51 0.00 0.00 0.13 0.00 0.00 42.46 38.64 3fwg s ILE 233 CO 0.53 0.01 0.89 0.42 -1.91 0.00 0.00 174.94 174.88 3fwg s THR 234 N -1.56 3.84 0.22 4.00 -4.23 -1.26 -4.90 115.64 111.76 3fwg s THR 234 Ca 0.61 0.05 -0.08 0.00 -1.18 0.00 0.00 61.69 61.08 3fwg s THR 234 Cb -0.27 -3.52 0.17 0.00 1.34 0.00 0.00 72.50 70.23 3fwg s THR 234 CO 0.33 -0.53 1.86 0.28 -0.54 0.00 0.00 174.62 176.02 3fwg h SER 235 N -0.12 0.81 -0.33 3.99 0.02 -1.96 -0.75 113.55 115.20 3fwg h SER 235 Ca -0.46 -0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.44 3fwg h SER 235 Cb 1.25 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.60 3fwg h SER 235 CO 0.61 0.56 -0.01 0.44 -1.14 0.00 0.00 176.83 177.28 3fwg h ASP 236 N 0.96 0.59 -0.45 3.07 3.32 -2.00 -2.05 116.42 119.85 3fwg h ASP 236 Ca 0.31 -0.31 0.01 0.00 0.02 0.00 0.00 57.03 57.06 3fwg h ASP 236 Cb 0.03 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.39 3fwg h ASP 236 CO -0.12 0.76 0.28 -0.33 -1.72 0.00 0.00 179.24 178.11 3fwg h GLU 237 N 0.40 0.55 -0.89 3.56 5.08 -1.90 -2.24 114.58 119.13 3fwg h GLU 237 Ca 0.09 -0.03 0.08 0.00 -1.00 0.00 0.00 59.36 58.50 3fwg h GLU 237 Cb 0.46 -0.12 -0.07 0.00 0.50 0.00 0.00 28.75 29.52 3fwg h GLU 237 CO 0.02 0.36 0.54 0.00 -1.00 0.00 0.00 179.01 178.93 3fwg h ALA 238 N 1.19 1.26 -0.45 3.43 0.00 -0.95 -1.17 119.26 122.57 3fwg h ALA 238 Ca 0.18 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 3fwg h ALA 238 Cb -0.02 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3fwg h ALA 238 CO -0.07 0.23 -0.00 -0.22 0.00 0.00 0.00 179.25 179.19 3fwg h LYS 239 N 0.94 0.79 0.00 0.00 3.64 -1.08 0.10 116.57 120.97 3fwg h LYS 239 Ca 0.41 -0.25 -0.08 0.00 -1.27 0.00 0.00 60.65 59.46 3fwg h LYS 239 Cb 0.29 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 3fwg h LYS 239 CO -0.21 0.86 -0.36 0.00 -2.27 0.00 0.00 179.45 177.46 3fwg h ARG 240 N 0.64 0.00 0.07 1.90 3.08 -1.00 -0.04 114.38 119.03 3fwg h ARG 240 Ca 0.13 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.08 3fwg h ARG 240 Cb 0.50 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.56 3fwg h ARG 240 CO 0.02 0.36 -0.43 1.98 -1.07 0.00 0.00 179.97 180.83 3fwg h MET 241 N 0.00 0.16 -0.61 0.04 4.05 -0.97 -1.29 114.93 116.32 3fwg h MET 241 Ca -0.00 -0.27 -0.03 0.00 -0.28 0.00 0.00 59.70 59.11 3fwg h MET 241 Cb 0.76 0.10 -0.03 0.00 -0.80 0.00 0.00 31.60 31.63 3fwg h MET 241 CO 0.05 1.12 0.25 0.00 0.23 0.00 0.00 176.91 178.56 3fwg h GLY 243 N 0.97 0.88 0.98 0.00 0.00 -1.15 -1.26 103.07 103.49 3fwg h GLY 243 Ca 0.21 -0.29 -0.05 0.00 0.00 0.00 0.00 47.33 47.20 3fwg h GLY 243 CO -0.02 0.25 0.13 -2.00 0.00 0.00 0.00 176.54 174.91 3fwg h LEU 244 N 0.76 0.78 -0.94 3.11 5.85 -1.51 -1.92 115.31 121.44 3fwg h LEU 244 Ca 0.24 -0.23 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 3fwg h LEU 244 Cb 0.00 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.79 3fwg h LEU 244 CO -0.09 0.80 0.43 -0.07 -0.34 0.00 0.00 178.44 179.17 3fwg h LEU 245 N 0.72 1.06 -0.30 2.25 3.38 -1.03 -0.87 115.31 120.53 3fwg h LEU 245 Ca 0.16 -0.11 0.02 0.00 0.09 0.00 0.00 57.88 58.04 3fwg h LEU 245 Cb 0.32 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3fwg h LEU 245 CO 0.00 0.87 0.15 -0.07 0.09 0.00 0.00 178.44 179.49 3fwg h LEU 246 N 1.17 0.23 -0.32 1.67 3.38 -0.90 -0.20 115.31 120.35 3fwg h LEU 246 Ca 0.29 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.26 3fwg h LEU 246 Cb 0.07 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3fwg h LEU 246 CO -0.04 0.17 0.17 0.58 0.09 0.00 0.00 178.44 179.41 3fwg h VAL 247 N 0.32 1.14 -0.77 1.22 2.07 -0.94 -1.26 116.25 118.02 3fwg h VAL 247 Ca 0.12 -0.36 0.02 0.00 0.82 0.00 0.00 66.70 67.30 3fwg h VAL 247 Cb 0.03 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 30.55 3fwg h VAL 247 CO -0.08 0.14 0.50 1.23 0.02 0.00 0.00 177.57 179.38 3fwg h GLY 248 N 0.39 1.10 2.00 2.17 0.00 -0.99 -1.91 103.07 105.83 3fwg h GLY 248 Ca 0.11 -0.38 -0.09 0.00 0.00 0.00 0.00 47.33 46.97 3fwg h GLY 248 CO -0.02 0.34 -0.41 -1.33 0.00 0.00 0.00 176.54 175.12 3fwg h GLY 249 N 0.99 0.00 -0.20 4.60 0.00 -0.73 -3.28 103.07 104.45 3fwg h GLY 249 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.63 3fwg h GLY 249 CO -0.09 0.00 -0.63 1.04 0.00 0.00 0.00 176.54 176.86 3fwg n LEU 250 N -3.70 0.98 -1.82 3.11 4.32 -0.50 -4.46 117.00 114.93 3fwg n LEU 250 Ca -0.01 -0.57 0.00 0.00 -0.02 0.00 0.00 56.01 55.41 3fwg n LEU 250 Cb 0.50 0.00 0.02 0.00 -1.62 0.00 0.00 43.42 42.32 3fwg n LEU 250 CO 0.38 0.22 0.17 -0.67 -1.22 0.00 0.00 177.39 176.27 3fwg n ASP 251 N -1.03 0.42 0.00 -1.43 2.03 -0.74 -4.80 116.55 110.99 3fwg n ASP 251 Ca 0.04 -2.03 0.00 0.00 0.52 0.00 0.00 54.79 53.32 3fwg n ASP 251 Cb 0.27 -0.10 0.00 0.00 -0.72 0.00 0.00 41.12 40.57 3fwg n ASP 251 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 3fwg n THR 252 N -0.08 0.00 -0.30 5.18 -2.24 -1.24 -4.73 114.28 110.86 3fwg n THR 252 Ca -0.04 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.82 3fwg n THR 252 Cb 0.94 -0.54 0.30 0.00 -2.10 0.00 0.00 70.33 68.93 3fwg n THR 252 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 3fwg h VAL 253 N 0.00 0.93 -0.84 2.28 2.07 -1.90 -1.53 116.25 117.27 3fwg h VAL 253 Ca 0.00 -0.30 0.18 0.00 0.82 0.00 0.00 66.70 67.40 3fwg h VAL 253 Cb 0.00 -0.02 -0.11 0.00 -1.52 0.00 0.00 31.29 29.64 3fwg h VAL 253 CO 0.00 0.16 0.38 0.58 0.02 0.00 0.00 177.57 178.71 3fwg h VAL 254 N 0.88 0.60 0.22 2.57 2.07 -1.87 -0.00 116.25 120.70 3fwg h VAL 254 Ca 0.44 -0.16 -0.30 0.00 0.82 0.00 0.00 66.70 67.49 3fwg h VAL 254 Cb 0.48 0.08 0.03 0.00 -1.52 0.00 0.00 31.29 30.36 3fwg h VAL 254 CO -0.20 0.09 -1.37 0.78 0.02 0.00 0.00 177.57 176.89 3fwg h ASN 255 N 0.48 0.72 -0.78 0.57 2.35 -1.62 -3.34 115.58 113.95 3fwg h ASN 255 Ca 0.49 -0.93 0.03 0.00 -0.55 0.00 0.00 56.30 55.35 3fwg h ASN 255 Cb 0.82 -0.23 -0.05 0.00 0.05 0.00 0.00 38.32 38.91 3fwg h ASN 255 CO -0.45 1.65 0.50 0.15 -1.65 0.00 0.00 177.43 177.63 3fwg h PHE 256 N 0.00 0.93 -0.92 1.19 3.57 -0.59 -2.39 116.94 118.73 3fwg h PHE 256 Ca -0.25 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.37 3fwg h PHE 256 Cb 2.03 -0.31 -0.07 0.00 2.79 0.00 0.00 35.95 40.40 3fwg h PHE 256 CO 0.14 0.53 0.60 -0.07 -2.23 0.00 0.00 178.31 177.27 3fwg h LEU 257 N 0.96 0.87 -0.81 0.59 3.38 -1.14 -1.64 115.31 117.53 3fwg h LEU 257 Ca 0.32 0.02 -0.12 0.00 0.09 0.00 0.00 57.88 58.19 3fwg h LEU 257 Cb 0.03 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3fwg h LEU 257 CO -0.12 0.53 -0.40 0.28 0.09 0.00 0.00 178.44 178.82 3fwg h SER 258 N 0.97 0.43 -0.37 -0.43 0.02 -1.55 -0.15 113.55 112.47 3fwg h SER 258 Ca 0.42 -0.18 -0.04 0.00 -0.84 0.00 0.00 61.79 61.15 3fwg h SER 258 Cb 0.34 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 3fwg h SER 258 CO -0.18 0.79 0.07 -0.26 -1.14 0.00 0.00 176.83 176.11 3fwg h PHE 259 N 0.34 0.63 -0.29 3.45 0.04 -1.16 -0.95 116.94 119.00 3fwg h PHE 259 Ca 0.03 -0.08 -0.03 0.00 2.80 0.00 0.00 57.97 60.69 3fwg h PHE 259 Cb 0.86 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.82 3fwg h PHE 259 CO 0.02 0.63 0.08 0.77 -0.60 0.00 0.00 178.31 179.22 3fwg h SER 260 N 0.45 0.43 0.56 2.17 0.02 -1.15 -2.18 113.55 113.84 3fwg h SER 260 Ca 0.11 -0.22 -0.12 0.00 -0.84 0.00 0.00 61.79 60.73 3fwg h SER 260 Cb 0.33 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.74 3fwg h SER 260 CO 0.00 0.53 -0.55 0.24 -1.14 0.00 0.00 176.83 175.91 3fwg h MET 261 N 0.30 0.00 -0.18 3.45 2.86 -1.01 -1.19 114.93 119.16 3fwg h MET 261 Ca 0.09 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.72 3fwg h MET 261 Cb 0.27 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.92 3fwg h MET 261 CO -0.00 0.55 0.09 1.49 1.06 0.00 0.00 176.91 180.10 3fwg h GLU 262 N 0.00 0.26 -0.28 1.72 4.81 -1.06 -0.06 114.58 119.97 3fwg h GLU 262 Ca -0.01 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.22 3fwg h GLU 262 Cb 0.98 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.29 3fwg h GLU 262 CO 0.07 0.29 0.10 0.35 -0.73 0.00 0.00 179.01 179.09 3fwg h PHE 263 N 0.16 0.18 -0.39 0.92 3.57 -1.09 -1.99 116.94 118.30 3fwg h PHE 263 Ca 0.06 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.50 3fwg h PHE 263 Cb 0.12 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.80 3fwg h PHE 263 CO -0.03 0.08 -0.08 -0.07 -2.23 0.00 0.00 178.31 175.98 3fwg h LEU 264 N 0.22 0.66 -1.50 0.59 3.38 -1.11 -1.30 115.31 116.24 3fwg h LEU 264 Ca 0.12 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 3fwg h LEU 264 Cb 0.09 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3fwg h LEU 264 CO -0.12 0.78 -0.01 0.00 0.09 0.00 0.00 178.44 179.18 3fwg h ALA 265 N 1.29 1.60 -0.01 1.53 0.00 -0.73 -2.71 119.26 120.23 3fwg h ALA 265 Ca 0.11 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3fwg h ALA 265 Cb 0.51 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3fwg h ALA 265 CO 0.03 0.30 -0.38 1.63 0.00 0.00 0.00 179.25 180.83 3fwg n LYS 266 N -4.36 0.53 -3.59 0.00 5.02 -0.77 -4.31 118.16 110.70 3fwg n LYS 266 Ca 0.00 -0.33 -0.27 0.00 -2.02 0.00 0.00 58.31 55.69 3fwg n LYS 266 Cb 0.19 -1.49 -0.11 0.00 -0.02 0.00 0.00 35.03 33.60 3fwg n LYS 266 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3fwg s SER 267 N -2.69 2.72 0.31 4.39 0.15 -0.56 -4.98 113.70 113.03 3fwg s SER 267 Ca 0.19 -3.36 0.07 0.00 0.70 0.00 0.00 55.95 53.55 3fwg s SER 267 Cb 0.18 -0.89 0.81 0.00 -1.71 0.00 0.00 66.02 64.41 3fwg s SER 267 CO 0.60 -0.14 1.75 -0.65 1.20 0.00 0.00 173.24 176.00 3fwg h PRO 268 N 5.55 0.64 -0.47 5.44 0.11 -1.84 -2.09 132.00 139.34 3fwg h PRO 268 Ca 0.22 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 66.23 3fwg h PRO 268 Cb 0.85 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.79 3fwg h PRO 268 CO 0.50 0.43 0.05 0.93 -0.21 0.00 0.00 178.00 179.70 3fwg h GLU 269 N 0.66 0.75 -0.31 1.05 5.08 -1.93 0.03 114.58 119.91 3fwg h GLU 269 Ca 0.61 -0.17 -0.17 0.00 -1.00 0.00 0.00 59.36 58.63 3fwg h GLU 269 Cb 1.06 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.20 3fwg h GLU 269 CO -0.43 0.72 -0.47 0.45 -1.00 0.00 0.00 179.01 178.28 3fwg h HIS 270 N 0.71 1.01 -0.55 4.33 3.86 -1.77 -1.78 115.15 120.97 3fwg h HIS 270 Ca 0.15 -0.33 -0.01 0.00 -1.16 0.00 0.00 60.37 59.02 3fwg h HIS 270 Cb 0.36 -0.20 -0.03 0.00 1.06 0.00 0.00 27.41 28.61 3fwg h HIS 270 CO 0.02 1.13 0.32 0.00 0.86 0.00 0.00 177.93 180.26 3fwg h ARG 271 N 0.66 0.75 -0.76 2.45 3.08 -1.13 -2.83 114.38 116.59 3fwg h ARG 271 Ca 0.04 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 3fwg h ARG 271 Cb 1.05 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 30.91 3fwg h ARG 271 CO 0.10 0.55 0.45 0.37 -1.07 0.00 0.00 179.97 180.37 3fwg h GLN 272 N 0.73 1.03 -0.77 0.04 5.75 -0.90 0.33 115.11 121.33 3fwg h GLN 272 Ca 0.19 -0.10 0.09 0.00 -0.15 0.00 0.00 58.65 58.68 3fwg h GLN 272 Cb 0.00 -0.21 -0.07 0.00 1.07 0.00 0.00 27.48 28.27 3fwg h GLN 272 CO -0.04 0.74 0.43 1.49 -2.65 0.00 0.00 178.83 178.80 3fwg h GLU 273 N 1.04 0.72 0.00 1.69 4.81 -1.17 0.23 114.58 121.89 3fwg h GLU 273 Ca 0.27 -0.04 -0.16 0.00 -0.13 0.00 0.00 59.36 59.29 3fwg h GLU 273 Cb -0.02 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.17 3fwg h GLU 273 CO -0.05 0.48 -0.78 -0.07 -0.73 0.00 0.00 179.01 177.85 3fwg h LEU 274 N 0.74 0.00 0.15 1.64 3.38 -1.11 0.96 115.31 121.07 3fwg h LEU 274 Ca 0.37 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.33 3fwg h LEU 274 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3fwg h LEU 274 CO -0.24 0.78 -0.07 0.40 0.09 0.00 0.00 178.44 179.40 3fwg h ILE 275 N 0.00 0.99 -0.27 1.22 2.04 -0.58 -3.02 117.51 117.89 3fwg h ILE 275 Ca -0.01 -0.85 -0.11 0.00 1.00 0.00 0.00 64.86 64.89 3fwg h ILE 275 Cb 1.50 1.49 -0.01 0.00 -0.74 0.00 0.00 36.82 39.05 3fwg h ILE 275 CO 0.10 0.19 -0.28 1.56 0.00 0.00 0.00 178.15 179.72 3fwg h GLN 276 N -0.63 0.55 -2.86 2.37 4.20 -0.57 -3.36 115.11 114.81 3fwg h GLN 276 Ca -0.02 -0.23 -0.61 0.00 0.06 0.00 0.00 58.65 57.85 3fwg h GLN 276 Cb 0.47 -0.02 -0.40 0.00 0.30 0.00 0.00 27.48 27.83 3fwg h GLN 276 CO 0.03 0.78 -0.74 1.03 -0.67 0.00 0.00 178.83 179.26 3fwg s ARG 277 N -4.45 1.65 0.48 1.46 3.00 0.33 -4.98 118.95 116.43 3fwg s ARG 277 Ca -0.07 -2.57 0.16 0.00 0.00 0.00 0.00 55.73 53.24 3fwg s ARG 277 Cb 0.13 -2.52 1.15 0.00 0.00 0.00 0.00 34.95 33.71 3fwg s ARG 277 CO 0.81 -1.27 2.05 -1.00 0.00 0.00 0.00 175.30 175.88 3fwg h PRO 278 N 5.90 0.22 0.00 3.54 0.13 -1.68 -1.72 132.00 138.39 3fwg h PRO 278 Ca 0.13 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3fwg h PRO 278 Cb 0.85 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.93 3fwg h PRO 278 CO 0.55 0.15 0.00 -0.85 -0.23 0.00 0.00 178.00 177.61 3fwg n GLU 279 N -4.47 0.12 0.00 0.86 0.00 -1.26 -1.61 120.64 114.28 3fwg n GLU 279 Ca 0.05 0.59 0.14 0.00 0.00 0.00 0.00 57.16 57.94 3fwg n GLU 279 Cb 0.29 -1.87 0.62 0.00 0.00 0.00 0.00 31.44 30.48 3fwg n GLU 279 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 3fwg n ARG 280 N -2.11 1.32 0.09 3.44 1.74 -0.65 -4.37 116.66 116.12 3fwg n ARG 280 Ca -0.01 -0.62 -0.13 0.00 -0.77 0.00 0.00 57.85 56.33 3fwg n ARG 280 Cb 0.05 -1.49 -0.07 0.00 -1.02 0.00 0.00 32.46 29.93 3fwg n ARG 280 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 3fwg h ILE 281 N 1.51 0.86 -0.79 0.55 2.04 -1.49 -0.63 117.51 119.56 3fwg h ILE 281 Ca 0.00 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.95 3fwg h ILE 281 Cb 0.37 0.86 -0.07 0.00 -0.74 0.00 0.00 36.82 37.24 3fwg h ILE 281 CO 0.00 0.00 0.44 -0.65 0.00 0.00 0.00 178.15 177.94 3fwg h PRO 282 N -0.16 0.73 -0.43 2.37 0.11 -1.83 0.17 132.00 132.96 3fwg h PRO 282 Ca -0.01 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 66.00 3fwg h PRO 282 Cb 0.14 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.06 3fwg h PRO 282 CO 0.00 0.49 0.02 0.00 -0.21 0.00 0.00 178.00 178.30 3fwg h ALA 283 N 1.43 1.24 -0.54 -0.75 0.00 -1.80 -2.35 119.26 116.49 3fwg h ALA 283 Ca 0.38 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 3fwg h ALA 283 Cb 0.33 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3fwg h ALA 283 CO -0.24 0.51 0.08 0.00 0.00 0.00 0.00 179.25 179.60 3fwg h ALA 284 N 1.38 0.72 -0.44 0.00 0.00 -0.09 -1.71 119.26 119.11 3fwg h ALA 284 Ca 0.14 -0.25 0.09 0.00 0.00 0.00 0.00 54.91 54.88 3fwg h ALA 284 Cb 0.37 -0.20 -0.08 0.00 0.00 0.00 0.00 17.79 17.87 3fwg h ALA 284 CO 0.01 0.47 -0.10 0.00 0.00 0.00 0.00 179.25 179.63 3fwg h GLU 286 N 0.01 0.99 -0.04 0.00 4.57 -1.07 0.68 114.58 119.71 3fwg h GLU 286 Ca 0.21 -0.27 -0.13 0.00 -1.18 0.00 0.00 59.36 57.98 3fwg h GLU 286 Cb 0.32 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.79 3fwg h GLU 286 CO -0.45 0.94 -0.59 1.49 -1.18 0.00 0.00 179.01 179.22 3fwg h GLU 287 N 0.92 0.13 -0.24 1.92 4.57 -0.89 -1.72 114.58 119.27 3fwg h GLU 287 Ca 0.18 -0.09 -0.17 0.00 -1.18 0.00 0.00 59.36 58.10 3fwg h GLU 287 Cb 0.47 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.07 3fwg h GLU 287 CO 0.02 0.68 -0.54 -0.07 -1.18 0.00 0.00 179.01 177.92 3fwg h LEU 288 N 0.10 0.81 -1.45 1.64 3.38 -0.64 -1.27 115.31 117.87 3fwg h LEU 288 Ca -0.01 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.54 3fwg h LEU 288 Cb 1.07 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.56 3fwg h LEU 288 CO 0.08 1.19 0.35 -0.07 0.09 0.00 0.00 178.44 180.08 3fwg h LEU 289 N 0.56 0.63 0.17 1.67 3.38 -0.59 0.98 115.31 122.12 3fwg h LEU 289 Ca 0.01 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3fwg h LEU 289 Cb 1.12 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.71 3fwg h LEU 289 CO 0.11 0.46 -0.08 -0.09 0.09 0.00 0.00 178.44 178.93 3fwg h ARG 290 N 0.74 -0.22 -0.11 1.13 2.43 -1.20 -2.75 114.38 114.39 3fwg h ARG 290 Ca 0.20 0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 59.25 3fwg h ARG 290 Cb -0.07 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 3fwg h ARG 290 CO -0.04 0.19 -0.52 -0.09 -1.51 0.00 0.00 179.97 178.00 3fwg h ARG 291 N -0.75 0.32 -0.31 0.20 9.65 -1.02 -3.08 114.38 119.39 3fwg h ARG 291 Ca -0.02 -0.19 -0.16 0.00 -1.10 0.00 0.00 59.98 58.51 3fwg h ARG 291 Cb 0.51 0.02 -0.09 0.00 -1.39 0.00 0.00 29.97 29.02 3fwg h ARG 291 CO 0.04 0.76 -0.13 1.19 2.80 0.00 0.00 179.97 184.63 3fwg n PHE 292 N -3.95 0.95 -1.56 2.20 3.72 0.32 -4.96 117.46 114.19 3fwg n PHE 292 Ca -0.02 -1.58 -0.40 0.00 -0.05 0.00 0.00 57.45 55.41 3fwg n PHE 292 Cb 0.56 -0.46 0.03 0.00 -0.94 0.00 0.00 39.48 38.67 3fwg n PHE 292 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3fwg n SER 293 N -1.11 0.37 0.00 4.37 2.88 -1.04 -4.92 113.62 114.17 3fwg n SER 293 Ca 0.31 0.89 0.00 0.00 -1.33 0.00 0.00 58.87 58.74 3fwg n SER 293 Cb 0.99 -1.30 0.00 0.00 -0.75 0.00 0.00 64.21 63.16 3fwg n SER 293 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3fwg n LEU 294 N 0.24 0.00 -4.72 2.46 -0.00 -1.26 -4.82 117.00 108.89 3fwg n LEU 294 Ca 0.11 0.00 -0.35 0.00 -0.00 0.00 0.00 56.01 55.77 3fwg n LEU 294 Cb 0.43 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.77 3fwg n LEU 294 CO 0.53 0.07 -0.28 -0.69 -0.00 0.00 0.00 177.39 177.01 3fwg s VAL 295 N 0.00 4.52 -0.33 1.47 1.01 -1.26 -0.79 120.40 125.01 3fwg s VAL 295 Ca 0.00 -0.20 0.01 0.00 0.00 0.00 0.00 61.98 61.78 3fwg s VAL 295 Cb 0.00 -2.93 0.14 0.00 0.00 0.00 0.00 36.38 33.59 3fwg s VAL 295 CO 0.00 0.58 0.29 0.00 0.00 0.00 0.00 175.10 175.97 3fwg s ALA 296 N -0.94 -0.06 0.00 5.51 0.00 0.14 -1.71 121.76 124.70 3fwg s ALA 296 Ca 0.14 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 51.15 3fwg s ALA 296 Cb -0.11 -1.81 0.00 0.00 0.00 0.00 0.00 23.12 21.19 3fwg s ALA 296 CO 0.04 -1.95 0.00 -0.40 0.00 0.00 0.00 175.76 173.45 3fwg n ASP 297 N 4.65 1.13 0.00 0.00 5.75 -1.26 -4.50 116.55 122.32 3fwg n ASP 297 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.83 3fwg n ASP 297 Cb 0.44 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.53 3fwg n ASP 297 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3fwg n GLY 298 N 5.00 1.88 3.39 6.12 0.00 -0.32 -1.34 105.19 119.92 3fwg n GLY 298 Ca 0.00 -0.51 -0.13 0.00 0.00 0.00 0.00 46.02 45.38 3fwg n GLY 298 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fwg s ARG 299 N 1.49 1.54 -0.02 1.61 1.81 -0.16 -4.38 118.95 120.84 3fwg s ARG 299 Ca 0.00 -1.61 0.07 0.00 -1.72 0.00 0.00 55.73 52.47 3fwg s ARG 299 Cb 0.00 0.38 -0.02 0.00 -0.45 0.00 0.00 34.95 34.86 3fwg s ARG 299 CO 0.00 -0.59 -0.23 -1.50 -0.68 0.00 0.00 175.30 172.30 3fwg s ILE 300 N -3.75 1.82 0.06 1.52 2.07 0.19 -1.01 121.20 122.10 3fwg s ILE 300 Ca 0.33 -0.98 -0.31 0.00 -1.41 0.00 0.00 60.65 58.28 3fwg s ILE 300 Cb 0.02 -1.51 -0.07 0.00 0.13 0.00 0.00 42.46 41.03 3fwg s ILE 300 CO 0.15 0.51 1.45 -0.76 -1.91 0.00 0.00 174.94 174.38 3fwg s LEU 301 N -0.53 4.35 0.31 8.50 2.01 -0.02 -0.52 118.68 132.77 3fwg s LEU 301 Ca 0.09 2.27 0.24 0.00 0.01 0.00 0.00 54.13 56.73 3fwg s LEU 301 Cb -0.09 -3.57 0.40 0.00 0.01 0.00 0.00 46.19 42.94 3fwg s LEU 301 CO -0.01 -0.73 1.53 0.71 1.01 0.00 0.00 176.35 178.87 3fwg h THR 302 N 4.64 0.00 -2.83 5.49 1.35 -1.50 -0.64 112.91 119.42 3fwg h THR 302 Ca -0.40 -0.82 0.09 0.00 -0.55 0.00 0.00 66.41 64.73 3fwg h THR 302 Cb 1.19 1.70 -0.06 0.00 -1.73 0.00 0.00 68.15 69.25 3fwg h THR 302 CO 0.89 0.00 0.29 -0.94 -0.25 0.00 0.00 175.52 175.52 3fwg s SER 303 N -5.46 -0.27 0.31 5.36 1.04 -1.26 -4.84 113.70 108.58 3fwg s SER 303 Ca 0.07 -0.50 -0.29 0.00 0.48 0.00 0.00 55.95 55.70 3fwg s SER 303 Cb 0.08 0.66 -0.11 0.00 0.10 0.00 0.00 66.02 66.75 3fwg s SER 303 CO 0.68 -1.20 1.50 -1.81 0.98 0.00 0.00 173.24 173.39 3fwg s ASP 304 N -2.90 6.47 -0.27 7.02 1.01 -1.26 -3.59 116.67 123.15 3fwg s ASP 304 Ca 0.10 2.89 -0.15 0.00 0.71 0.00 0.00 52.55 56.10 3fwg s ASP 304 Cb -0.04 -2.64 0.08 0.00 1.01 0.00 0.00 42.92 41.32 3fwg s ASP 304 CO 0.04 -0.82 0.66 -0.47 0.21 0.00 0.00 175.17 174.79 3fwg s TYR 305 N -0.42 -1.01 -0.21 4.23 5.04 -0.23 -4.91 117.35 119.83 3fwg s TYR 305 Ca 0.58 2.04 -0.20 0.00 -2.44 0.00 0.00 57.07 57.04 3fwg s TYR 305 Cb -0.45 0.59 -0.02 0.00 0.35 0.00 0.00 41.96 42.42 3fwg s TYR 305 CO 0.52 -0.51 0.62 -2.00 -1.34 0.00 0.00 175.55 172.84 3fwg s GLU 306 N 1.59 4.18 -0.13 4.97 2.12 -1.26 -0.71 118.70 129.46 3fwg s GLU 306 Ca -0.10 0.58 -0.01 0.00 0.36 0.00 0.00 54.97 55.80 3fwg s GLU 306 Cb -0.05 -3.59 0.03 0.00 0.26 0.00 0.00 34.13 30.77 3fwg s GLU 306 CO -0.19 -0.27 -0.06 0.12 -0.54 0.00 0.00 175.26 174.32 3fwg s PHE 307 N 2.03 1.53 -1.51 5.30 5.36 -0.29 -4.79 117.98 125.61 3fwg s PHE 307 Ca 0.28 -0.86 -0.06 0.00 -0.96 0.00 0.00 56.93 55.33 3fwg s PHE 307 Cb -0.16 -1.25 0.05 0.00 -0.34 0.00 0.00 43.02 41.32 3fwg s PHE 307 CO 0.10 -0.55 0.49 0.72 -1.46 0.00 0.00 175.22 174.52 3fwg n HIS 308 N 4.93 -1.65 -0.99 10.12 8.25 -1.26 -1.13 115.22 133.49 3fwg n HIS 308 Ca -0.12 0.75 0.00 0.00 -0.26 0.00 0.00 57.72 58.09 3fwg n HIS 308 Cb 0.49 -3.42 0.00 0.00 1.12 0.00 0.00 29.99 28.18 3fwg n HIS 308 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3fwg n GLY 309 N -1.87 0.49 3.29 -1.41 0.00 -1.26 -5.02 105.19 99.41 3fwg n GLY 309 Ca -0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.50 3fwg n GLY 309 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fwg s VAL 310 N -2.08 2.47 -0.59 1.61 1.01 -0.28 -5.08 120.40 117.46 3fwg s VAL 310 Ca 0.00 -0.87 -0.28 0.00 0.00 0.00 0.00 61.98 60.83 3fwg s VAL 310 Cb 0.00 -1.99 0.03 0.00 0.00 0.00 0.00 36.38 34.42 3fwg s VAL 310 CO 0.00 0.55 1.22 -1.10 0.00 0.00 0.00 175.10 175.77 3fwg s GLN 311 N 0.30 3.47 -0.01 2.72 -1.52 -1.26 -1.13 119.66 122.23 3fwg s GLN 311 Ca -0.15 0.22 -0.13 0.00 -1.95 0.00 0.00 55.36 53.35 3fwg s GLN 311 Cb -0.17 -4.04 -0.05 0.00 -0.22 0.00 0.00 33.01 28.53 3fwg s GLN 311 CO 0.07 -1.75 0.37 -0.51 -0.25 0.00 0.00 175.29 173.23 3fwg s LEU 312 N 5.13 4.45 0.01 2.90 1.43 0.11 -4.89 118.68 127.81 3fwg s LEU 312 Ca 0.43 0.89 0.02 0.00 -1.03 0.00 0.00 54.13 54.44 3fwg s LEU 312 Cb -0.08 -2.56 -0.04 0.00 0.03 0.00 0.00 46.19 43.54 3fwg s LEU 312 CO 0.24 0.32 -0.01 -0.75 0.23 0.00 0.00 176.35 176.39 3fwg s LYS 313 N -1.16 2.73 0.08 1.70 2.20 -1.26 -1.07 119.74 122.96 3fwg s LYS 313 Ca 0.24 -0.65 -0.37 0.00 -0.36 0.00 0.00 55.97 54.83 3fwg s LYS 313 Cb -0.16 -2.64 -0.17 0.00 -1.51 0.00 0.00 37.83 33.35 3fwg s LYS 313 CO 0.13 0.61 1.26 1.17 -0.36 0.00 0.00 175.35 178.16 3fwg n LYS 314 N 1.34 0.90 0.00 4.03 4.81 -1.24 -0.81 118.16 127.19 3fwg n LYS 314 Ca -0.14 0.32 0.00 0.00 -0.87 0.00 0.00 58.31 57.62 3fwg n LYS 314 Cb 0.53 -1.92 0.00 0.00 0.02 0.00 0.00 35.03 33.66 3fwg n LYS 314 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3fwg n GLY 315 N 2.26 2.30 3.77 3.14 0.00 -0.25 -4.95 105.19 111.47 3fwg n GLY 315 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 3fwg n GLY 315 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3fwg s ASP 316 N -1.87 6.36 0.13 1.61 1.01 0.01 -4.69 116.67 119.23 3fwg s ASP 316 Ca 0.00 3.03 -0.15 0.00 0.71 0.00 0.00 52.55 56.14 3fwg s ASP 316 Cb 0.00 -2.66 -0.07 0.00 1.01 0.00 0.00 42.92 41.20 3fwg s ASP 316 CO 0.00 -0.87 0.54 -1.10 0.21 0.00 0.00 175.17 173.95 3fwg s GLN 317 N -1.84 4.00 -0.10 8.23 -0.21 -1.26 -0.84 119.66 127.63 3fwg s GLN 317 Ca 0.54 0.51 -0.00 0.00 0.02 0.00 0.00 55.36 56.42 3fwg s GLN 317 Cb -0.46 -2.99 0.02 0.00 1.00 0.00 0.00 33.01 30.58 3fwg s GLN 317 CO 0.61 0.51 -0.06 -1.50 -2.12 0.00 0.00 175.29 172.73 3fwg s ILE 318 N -1.40 0.85 -0.02 1.08 2.07 -0.18 -1.15 121.20 122.46 3fwg s ILE 318 Ca 0.36 -0.19 -0.30 0.00 -1.41 0.00 0.00 60.65 59.11 3fwg s ILE 318 Cb -0.16 -0.89 -0.03 0.00 0.13 0.00 0.00 42.46 41.51 3fwg s ILE 318 CO 0.19 0.33 0.98 -0.22 -1.91 0.00 0.00 174.94 174.31 3fwg s LEU 319 N 1.67 4.35 -0.63 8.50 2.96 0.29 -0.99 118.68 134.82 3fwg s LEU 319 Ca 0.03 1.63 0.05 0.00 -0.22 0.00 0.00 54.13 55.62 3fwg s LEU 319 Cb -0.13 -3.56 0.17 0.00 0.50 0.00 0.00 46.19 43.17 3fwg s LEU 319 CO -0.06 -0.30 0.45 -0.76 -1.32 0.00 0.00 176.35 174.36 3fwg s LEU 320 N 1.20 3.98 -0.31 -0.68 1.43 -0.45 -1.58 118.68 122.26 3fwg s LEU 320 Ca 0.51 -3.64 -0.29 0.00 -1.03 0.00 0.00 54.13 49.69 3fwg s LEU 320 Cb -0.20 -1.34 -0.02 0.00 0.03 0.00 0.00 46.19 44.65 3fwg s LEU 320 CO 0.26 -0.11 1.72 -2.84 0.23 0.00 0.00 176.35 175.61 3fwg s PRO 321 N -1.05 3.46 0.38 1.29 0.02 -1.26 -4.40 135.00 133.44 3fwg s PRO 321 Ca 0.26 1.43 0.12 0.00 0.02 0.00 0.00 61.00 62.83 3fwg s PRO 321 Cb -0.03 -4.15 0.92 0.00 0.02 0.00 0.00 34.50 31.26 3fwg s PRO 321 CO -0.17 -1.71 1.86 1.96 -0.33 0.00 0.00 177.00 178.62 3fwg h GLN 322 N 12.20 0.56 0.00 5.54 7.50 -1.77 -0.85 115.11 138.29 3fwg h GLN 322 Ca -0.33 -0.03 -0.01 0.00 0.50 0.00 0.00 58.65 58.77 3fwg h GLN 322 Cb 1.16 -0.13 -0.00 0.00 0.05 0.00 0.00 27.48 28.56 3fwg h GLN 322 CO 1.03 0.37 -0.06 0.00 -1.50 0.00 0.00 178.83 178.67 3fwg h MET 323 N 0.58 0.00 0.00 1.46 -0.00 -1.60 -3.16 114.93 112.21 3fwg h MET 323 Ca 0.46 0.00 -0.16 0.00 -0.00 0.00 0.00 59.70 59.99 3fwg h MET 323 Cb 0.89 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.46 3fwg h MET 323 CO -0.20 0.06 -0.77 -0.07 -0.00 0.00 0.00 176.91 175.93 3fwg h LEU 324 N 0.00 0.00 -0.44 -0.10 3.38 -1.46 -3.34 115.31 113.35 3fwg h LEU 324 Ca -0.00 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 3fwg h LEU 324 Cb 0.25 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 3fwg h LEU 324 CO 0.01 0.77 0.26 0.28 0.09 0.00 0.00 178.44 179.85 3fwg h SER 325 N 0.00 0.42 1.41 -0.43 0.02 -1.65 -1.93 113.55 111.39 3fwg h SER 325 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3fwg h SER 325 Cb 1.59 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 64.05 3fwg h SER 325 CO 0.10 0.30 0.00 1.23 -1.14 0.00 0.00 176.83 177.32 3fwg h GLY 326 N 0.52 0.00 0.78 -3.77 0.00 -1.74 -2.74 103.07 96.12 3fwg h GLY 326 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.51 3fwg h GLY 326 CO -0.08 0.00 -0.37 1.04 0.00 0.00 0.00 176.54 177.12 3fwg n LEU 327 N -2.73 0.65 -4.66 3.11 4.77 -0.82 -4.67 117.00 112.65 3fwg n LEU 327 Ca 0.03 -0.07 -0.43 0.00 -0.03 0.00 0.00 56.01 55.52 3fwg n LEU 327 Cb 0.40 -0.21 -0.02 0.00 -2.33 0.00 0.00 43.42 41.25 3fwg n LEU 327 CO 0.29 0.14 1.25 -0.62 -1.33 0.00 0.00 177.39 177.12 3fwg s ASP 328 N -2.80 6.75 0.45 -1.43 -1.08 -0.79 -4.72 116.67 113.05 3fwg s ASP 328 Ca 0.17 1.94 0.31 0.00 -0.52 0.00 0.00 52.55 54.45 3fwg s ASP 328 Cb 0.18 -2.54 1.56 0.00 -1.46 0.00 0.00 42.92 40.67 3fwg s ASP 328 CO 0.62 -0.90 1.94 1.05 0.52 0.00 0.00 175.17 178.41 3fwg h GLU 329 N 9.13 0.00 0.00 4.34 4.11 -1.89 0.29 114.58 130.56 3fwg h GLU 329 Ca -0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.10 3fwg h GLU 329 Cb 1.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.39 3fwg h GLU 329 CO 0.97 0.00 0.00 0.54 0.07 0.00 0.00 179.01 180.59 3fwg n ARG 330 N -2.65 0.33 -0.05 1.06 1.74 -1.26 -3.79 116.66 112.04 3fwg n ARG 330 Ca -0.01 0.04 -0.06 0.00 -0.77 0.00 0.00 57.85 57.05 3fwg n ARG 330 Cb 0.13 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 30.01 3fwg n ARG 330 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3fwg n GLU 331 N -1.31 1.33 -3.66 5.56 1.02 0.92 -5.02 120.64 119.47 3fwg n GLU 331 Ca 0.12 0.03 -0.16 0.00 -0.02 0.00 0.00 57.16 57.13 3fwg n GLU 331 Cb 0.22 -1.22 -0.15 0.00 -0.02 0.00 0.00 31.44 30.28 3fwg n GLU 331 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 3fwg s ASN 332 N -4.59 0.67 0.48 1.62 0.01 -0.48 -4.69 114.94 107.97 3fwg s ASN 332 Ca -0.10 0.38 -0.23 0.00 -0.71 0.00 0.00 52.86 52.20 3fwg s ASN 332 Cb 0.03 0.40 -0.07 0.00 0.41 0.00 0.00 41.25 42.03 3fwg s ASN 332 CO 0.29 -0.25 1.31 0.00 -1.51 0.00 0.00 177.10 176.94 3fwg s ALA 333 N 2.33 3.00 -1.18 0.60 0.00 -1.26 -3.08 121.76 122.17 3fwg s ALA 333 Ca 0.03 1.23 -0.23 0.00 0.00 0.00 0.00 51.96 52.99 3fwg s ALA 333 Cb -0.12 -3.51 0.01 0.00 0.00 0.00 0.00 23.12 19.49 3fwg s ALA 333 CO -0.07 -1.07 0.73 0.00 0.00 0.00 0.00 175.76 175.35 3fwg h PRO 335 N -2.10 0.00 -0.00 0.00 0.13 -1.83 -1.73 132.00 126.47 3fwg h PRO 335 Ca -0.68 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.45 3fwg h PRO 335 Cb 1.37 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.50 3fwg h PRO 335 CO 0.51 0.09 -0.07 -1.33 -0.23 0.00 0.00 178.00 176.96 3fwg n MET 336 N -3.91 0.03 -2.96 0.86 2.81 -1.26 -4.77 117.12 107.92 3fwg n MET 336 Ca -0.02 -0.00 -0.40 0.00 -1.81 0.00 0.00 57.70 55.46 3fwg n MET 336 Cb 0.18 -1.50 -0.04 0.00 -0.71 0.00 0.00 33.22 31.15 3fwg n MET 336 CO 0.00 0.00 0.00 -1.58 1.51 0.00 0.00 175.97 175.90 3fwg s HIS 337 N -2.97 3.58 -0.33 2.03 5.04 -0.65 -5.04 115.29 116.95 3fwg s HIS 337 Ca 0.14 1.34 -0.23 0.00 -1.54 0.00 0.00 55.06 54.77 3fwg s HIS 337 Cb 0.19 -2.89 0.00 0.00 0.04 0.00 0.00 32.58 29.92 3fwg s HIS 337 CO 0.55 0.03 0.79 0.08 -2.34 0.00 0.00 174.74 173.85 3fwg s VAL 338 N 1.00 4.76 -0.30 0.89 1.01 -1.26 -5.01 120.40 121.50 3fwg s VAL 338 Ca 0.41 1.10 0.01 0.00 0.00 0.00 0.00 61.98 63.49 3fwg s VAL 338 Cb -0.18 -4.17 0.09 0.00 0.00 0.00 0.00 36.38 32.11 3fwg s VAL 338 CO 0.19 -0.32 0.05 -0.62 0.00 0.00 0.00 175.10 174.41 3fwg s ASP 339 N 1.70 4.21 0.43 3.32 2.15 -1.26 -4.98 116.67 122.24 3fwg s ASP 339 Ca 0.32 -1.69 0.30 0.00 0.43 0.00 0.00 52.55 51.91 3fwg s ASP 339 Cb -0.14 -1.17 1.51 0.00 -0.30 0.00 0.00 42.92 42.83 3fwg s ASP 339 CO 0.14 -0.36 1.91 -0.26 -0.17 0.00 0.00 175.17 176.42 3fwg h PHE 340 N 7.91 0.00 -0.35 -5.34 0.04 -1.95 -0.06 116.94 117.19 3fwg h PHE 340 Ca -0.11 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.66 3fwg h PHE 340 Cb 1.03 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.18 3fwg h PHE 340 CO 0.42 0.00 0.00 0.43 -0.60 0.00 0.00 178.31 178.56 3fwg n SER 341 N -2.58 3.04 -4.64 2.17 7.64 -1.26 -4.58 113.62 113.42 3fwg n SER 341 Ca -0.01 -1.93 -0.53 0.00 1.01 0.00 0.00 58.87 57.40 3fwg n SER 341 Cb 0.11 -0.22 -0.06 0.00 -1.01 0.00 0.00 64.21 63.03 3fwg n SER 341 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 3fwg n ARG 342 N 1.22 1.24 -0.04 1.43 0.63 -0.04 -4.89 116.66 116.21 3fwg n ARG 342 Ca 0.19 0.45 -0.13 0.00 -0.92 0.00 0.00 57.85 57.43 3fwg n ARG 342 Cb 0.54 -2.12 -0.08 0.00 0.45 0.00 0.00 32.46 31.25 3fwg n ARG 342 CO 0.00 0.00 0.00 0.37 -2.51 0.00 0.00 177.63 175.49 3fwg h GLN 343 N 5.66 0.22 -4.30 -0.14 5.75 -1.94 -3.40 115.11 116.96 3fwg h GLN 343 Ca -0.47 -0.13 -0.63 0.00 -0.15 0.00 0.00 58.65 57.27 3fwg h GLN 343 Cb 1.32 0.01 -0.40 0.00 1.07 0.00 0.00 27.48 29.49 3fwg h GLN 343 CO 0.85 0.68 -0.74 0.15 -2.65 0.00 0.00 178.83 177.11 3fwg s LYS 344 N -4.18 1.29 -0.76 1.69 -0.14 -1.26 -5.07 119.74 111.32 3fwg s LYS 344 Ca -0.15 -1.48 -0.21 0.00 -1.36 0.00 0.00 55.97 52.76 3fwg s LYS 344 Cb 0.04 -2.73 0.09 0.00 -1.68 0.00 0.00 37.83 33.54 3fwg s LYS 344 CO 0.73 -0.89 1.03 0.08 -0.76 0.00 0.00 175.35 175.53 3fwg s VAL 345 N 1.20 4.46 -0.14 3.17 1.01 -1.26 -4.95 120.40 123.89 3fwg s VAL 345 Ca 0.07 -0.80 -0.19 0.00 0.00 0.00 0.00 61.98 61.06 3fwg s VAL 345 Cb -0.18 -4.72 -0.04 0.00 0.00 0.00 0.00 36.38 31.44 3fwg s VAL 345 CO -0.13 -1.48 0.54 -0.55 0.00 0.00 0.00 175.10 173.48 3fwg s SER 346 N 3.72 6.71 0.22 3.32 0.15 -1.26 -5.05 113.70 121.50 3fwg s SER 346 Ca 0.26 0.85 -0.22 0.00 0.70 0.00 0.00 55.95 57.53 3fwg s SER 346 Cb -0.13 -2.32 0.04 0.00 -1.71 0.00 0.00 66.02 61.91 3fwg s SER 346 CO 0.03 -0.10 0.71 -1.38 1.20 0.00 0.00 173.24 173.70 3fwg s HIS 347 N 1.05 -0.31 -0.29 3.44 -3.43 -1.26 -4.23 115.29 110.25 3fwg s HIS 347 Ca 0.28 -0.04 0.12 0.00 -0.80 0.00 0.00 55.06 54.61 3fwg s HIS 347 Cb -0.16 0.65 0.47 0.00 -1.43 0.00 0.00 32.58 32.11 3fwg s HIS 347 CO 0.11 -1.05 1.15 0.25 -2.00 0.00 0.00 174.74 173.21 3fwg n THR 348 N -0.42 2.12 -0.16 -5.38 -2.24 -1.26 -4.90 114.28 102.03 3fwg n THR 348 Ca -0.09 -3.87 0.01 0.00 -2.27 0.00 0.00 64.05 57.83 3fwg n THR 348 Cb 0.61 -0.40 0.27 0.00 -2.10 0.00 0.00 70.33 68.71 3fwg n THR 348 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3fwg h THR 349 N 3.20 1.18 -0.48 4.28 2.02 -1.87 -0.86 112.91 120.38 3fwg h THR 349 Ca 0.21 -0.39 0.00 0.00 0.77 0.00 0.00 66.41 67.00 3fwg h THR 349 Cb 1.41 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 68.07 3fwg h THR 349 CO 0.60 0.19 0.00 0.49 0.37 0.00 0.00 175.52 177.16 3fwg n PHE 350 N -4.41 1.27 -1.40 3.16 3.72 -1.26 -4.77 117.46 113.77 3fwg n PHE 350 Ca 0.07 -0.48 0.00 0.00 -0.05 0.00 0.00 57.45 56.98 3fwg n PHE 350 Cb 0.06 -0.26 0.00 0.00 -0.94 0.00 0.00 39.48 38.34 3fwg n PHE 350 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3fwg n GLY 351 N 0.80 -1.80 3.59 1.37 0.00 -0.33 -0.63 105.19 108.19 3fwg n GLY 351 Ca 0.20 -1.81 -0.13 0.00 0.00 0.00 0.00 46.02 44.28 3fwg n GLY 351 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3fwg s HIS 352 N 0.00 -0.56 0.00 1.61 2.46 -1.26 -4.73 115.29 112.81 3fwg s HIS 352 Ca 0.00 1.17 0.00 0.00 0.47 0.00 0.00 55.06 56.70 3fwg s HIS 352 Cb 0.00 0.38 0.00 0.00 -0.13 0.00 0.00 32.58 32.83 3fwg s HIS 352 CO 0.00 -0.39 0.00 0.41 -2.47 0.00 0.00 174.74 172.29 3fwg n GLY 353 N 1.59 -1.07 0.09 1.59 0.00 -1.26 -4.31 105.19 101.82 3fwg n GLY 353 Ca -0.14 -1.55 0.11 0.00 0.00 0.00 0.00 46.02 44.44 3fwg n GLY 353 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3fwg n SER 354 N 0.23 0.49 -1.69 1.61 3.41 -1.26 -2.71 113.62 113.71 3fwg n SER 354 Ca 0.00 0.60 0.09 0.00 -0.26 0.00 0.00 58.87 59.30 3fwg n SER 354 Cb 0.00 -0.71 0.38 0.00 -0.26 0.00 0.00 64.21 63.61 3fwg n SER 354 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3fwg n HIS 355 N -2.02 1.70 -1.52 7.33 -0.00 -1.26 -5.01 115.22 114.43 3fwg n HIS 355 Ca 0.03 -0.66 -0.54 0.00 -0.00 0.00 0.00 57.72 56.55 3fwg n HIS 355 Cb 0.25 -0.35 -0.06 0.00 -0.00 0.00 0.00 29.99 29.83 3fwg n HIS 355 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 3fwg n LEU 356 N 0.90 0.53 -4.62 2.41 4.77 -1.10 -4.71 117.00 115.19 3fwg n LEU 356 Ca 0.27 1.14 -0.62 0.00 -0.03 0.00 0.00 56.01 56.77 3fwg n LEU 356 Cb 1.01 -1.05 -0.09 0.00 -2.33 0.00 0.00 43.42 40.97 3fwg n LEU 356 CO 0.27 -1.72 0.87 0.00 -1.33 0.00 0.00 177.39 175.48 3fwg h LEU 358 N 4.15 0.00 -1.26 0.00 3.38 -1.91 -3.34 115.31 116.33 3fwg h LEU 358 Ca -0.48 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.48 3fwg h LEU 358 Cb 1.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.14 3fwg h LEU 358 CO 0.81 0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.95 3fwg n GLY 359 N 1.16 0.48 0.20 0.83 0.00 -1.26 -4.52 105.19 102.08 3fwg n GLY 359 Ca 0.03 -0.45 0.05 0.00 0.00 0.00 0.00 46.02 45.66 3fwg n GLY 359 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 3fwg h GLN 360 N 2.43 0.00 -0.24 1.61 3.07 -1.92 0.49 115.11 120.55 3fwg h GLN 360 Ca 0.00 0.00 -0.16 0.00 0.09 0.00 0.00 58.65 58.58 3fwg h GLN 360 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.10 3fwg h GLN 360 CO 0.00 0.32 -0.49 0.45 0.09 0.00 0.00 178.83 179.21 3fwg h HIS 361 N 0.00 0.95 -0.28 0.06 3.86 -1.90 0.13 115.15 117.98 3fwg h HIS 361 Ca -0.00 -0.35 -0.00 0.00 -1.16 0.00 0.00 60.37 58.86 3fwg h HIS 361 Cb 0.66 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.94 3fwg h HIS 361 CO 0.00 1.14 0.16 1.25 0.86 0.00 0.00 177.93 181.35 3fwg h LEU 362 N 0.49 0.35 -0.21 2.43 5.85 -1.69 -2.66 115.31 119.86 3fwg h LEU 362 Ca 0.01 -0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.65 3fwg h LEU 362 Cb 1.09 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.03 3fwg h LEU 362 CO 0.11 0.32 0.12 0.00 -0.34 0.00 0.00 178.44 178.66 3fwg h ALA 363 N 1.04 0.27 -0.80 1.25 0.00 -0.83 -0.85 119.26 119.33 3fwg h ALA 363 Ca 0.10 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3fwg h ALA 363 Cb 0.05 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 3fwg h ALA 363 CO -0.02 -0.22 0.43 0.00 0.00 0.00 0.00 179.25 179.44 3fwg h ARG 364 N 0.25 1.13 -0.20 0.00 3.08 -0.99 -1.37 114.38 116.28 3fwg h ARG 364 Ca 0.08 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 3fwg h ARG 364 Cb 0.03 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 29.85 3fwg h ARG 364 CO -0.01 0.84 0.08 1.25 -1.07 0.00 0.00 179.97 181.05 3fwg h LEU 365 N 1.13 0.27 -0.86 3.04 5.85 -1.16 -0.98 115.31 122.60 3fwg h LEU 365 Ca 0.28 -0.17 0.06 0.00 0.84 0.00 0.00 57.88 58.89 3fwg h LEU 365 Cb 0.05 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 40.95 3fwg h LEU 365 CO -0.04 0.37 0.54 1.56 -0.34 0.00 0.00 178.44 180.52 3fwg h GLN 366 N 0.16 0.95 -0.16 1.25 4.20 -0.83 -0.17 115.11 120.52 3fwg h GLN 366 Ca 0.07 -0.06 -0.05 0.00 0.06 0.00 0.00 58.65 58.66 3fwg h GLN 366 Cb 0.18 -0.22 -0.00 0.00 0.30 0.00 0.00 27.48 27.75 3fwg h GLN 366 CO -0.00 0.63 -0.11 0.82 -0.67 0.00 0.00 178.83 179.50 3fwg h ILE 367 N 0.98 1.32 -0.55 2.54 2.04 -1.07 -2.32 117.51 120.46 3fwg h ILE 367 Ca 0.38 -1.20 -0.11 0.00 1.00 0.00 0.00 64.86 64.92 3fwg h ILE 367 Cb 0.16 1.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.98 3fwg h ILE 367 CO -0.17 0.35 -0.10 0.40 0.00 0.00 0.00 178.15 178.63 3fwg h ILE 368 N 0.02 1.27 -0.57 -0.67 2.04 -0.93 -1.83 117.51 116.83 3fwg h ILE 368 Ca 0.03 -1.26 0.00 0.00 1.00 0.00 0.00 64.86 64.63 3fwg h ILE 368 Cb 0.60 0.96 -0.03 0.00 -0.74 0.00 0.00 36.82 37.62 3fwg h ILE 368 CO 0.03 0.45 0.36 0.58 0.00 0.00 0.00 178.15 179.57 3fwg h VAL 369 N 0.91 1.16 -0.20 1.67 2.07 -1.07 -1.31 116.25 119.49 3fwg h VAL 369 Ca 0.14 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 67.32 3fwg h VAL 369 Cb 0.67 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 3fwg h VAL 369 CO 0.05 0.16 0.11 0.74 0.02 0.00 0.00 177.57 178.65 3fwg h THR 370 N 0.78 1.10 -0.12 2.57 2.02 -1.12 -0.23 112.91 117.90 3fwg h THR 370 Ca 0.21 -0.26 -0.00 0.00 0.77 0.00 0.00 66.41 67.13 3fwg h THR 370 Cb -0.04 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 3fwg h THR 370 CO -0.04 0.09 0.07 -0.07 0.37 0.00 0.00 175.52 175.94 3fwg h LEU 371 N 0.22 0.15 0.51 2.58 3.38 -1.15 0.72 115.31 121.73 3fwg h LEU 371 Ca 0.07 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3fwg h LEU 371 Cb 0.05 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3fwg h LEU 371 CO -0.01 0.18 -0.39 0.11 0.09 0.00 0.00 178.44 178.42 3fwg h LYS 372 N 0.11 -0.85 -0.03 1.13 1.57 -1.15 -2.21 116.57 115.13 3fwg h LYS 372 Ca 0.04 0.06 -0.15 0.00 -1.87 0.00 0.00 60.65 58.74 3fwg h LYS 372 Cb 0.06 0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 3fwg h LYS 372 CO -0.01 -0.57 -0.65 0.93 -0.57 0.00 0.00 179.45 178.59 3fwg h GLU 373 N -0.89 0.12 -0.03 3.15 4.39 -0.96 -2.20 114.58 118.17 3fwg h GLU 373 Ca -0.06 -0.09 -0.02 0.00 0.34 0.00 0.00 59.36 59.54 3fwg h GLU 373 Cb 0.75 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.42 3fwg h GLU 373 CO 0.01 0.73 -0.05 2.35 -1.16 0.00 0.00 179.01 180.89 3fwg h TRP 374 N 0.09 0.11 0.00 4.33 2.91 -0.90 -3.16 115.95 119.33 3fwg h TRP 374 Ca -0.01 -0.04 -0.06 0.00 1.13 0.00 0.00 58.89 59.91 3fwg h TRP 374 Cb 1.16 -0.02 -0.01 0.00 -0.51 0.00 0.00 29.16 29.78 3fwg h TRP 374 CO 0.01 0.61 -0.30 -0.07 -1.03 0.00 0.00 178.44 177.67 3fwg h LEU 375 N -0.43 0.00 -0.61 0.65 3.38 -1.37 0.58 115.31 117.51 3fwg h LEU 375 Ca 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 3fwg h LEU 375 Cb 0.60 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 3fwg h LEU 375 CO 0.01 0.30 0.15 0.74 0.09 0.00 0.00 178.44 179.73 3fwg h THR 376 N 0.00 1.25 0.01 0.22 2.02 -1.49 -3.23 112.91 111.70 3fwg h THR 376 Ca -0.00 -0.92 -0.37 0.00 0.77 0.00 0.00 66.41 65.89 3fwg h THR 376 Cb 0.81 0.68 -0.06 0.00 -1.74 0.00 0.00 68.15 67.83 3fwg h THR 376 CO 0.04 0.34 -2.33 0.54 0.37 0.00 0.00 175.52 174.48 3fwg n ARG 377 N -4.34 0.67 -3.45 6.66 1.74 -0.90 -4.57 116.66 112.48 3fwg n ARG 377 Ca 0.03 0.12 -0.26 0.00 -0.77 0.00 0.00 57.85 56.97 3fwg n ARG 377 Cb 0.24 -1.56 -0.09 0.00 -1.02 0.00 0.00 32.46 30.03 3fwg n ARG 377 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 3fwg n ILE 378 N -3.11 0.66 0.22 0.55 5.41 0.20 -1.00 119.36 122.29 3fwg n ILE 378 Ca -0.38 -4.46 0.10 0.00 1.00 0.00 0.00 62.75 59.01 3fwg n ILE 378 Cb 1.06 -1.99 0.41 0.00 -0.71 0.00 0.00 39.64 38.40 3fwg n ILE 378 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 3fwg h PRO 379 N 4.64 0.00 -4.71 0.38 0.13 -1.72 -3.41 132.00 127.31 3fwg h PRO 379 Ca 0.17 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.65 3fwg h PRO 379 Cb 0.79 0.00 -0.37 0.00 0.13 0.00 0.00 31.00 31.55 3fwg h PRO 379 CO 0.62 0.21 -0.80 0.34 -0.23 0.00 0.00 178.00 178.14 3fwg s ASP 380 N -6.17 3.98 0.16 1.44 2.15 -1.26 -4.92 116.67 112.05 3fwg s ASP 380 Ca 0.02 -1.18 -0.11 0.00 0.43 0.00 0.00 52.55 51.70 3fwg s ASP 380 Cb 0.09 -1.39 0.00 0.00 -0.30 0.00 0.00 42.92 41.32 3fwg s ASP 380 CO 0.64 -0.18 0.33 0.72 -0.17 0.00 0.00 175.17 176.52 3fwg s PHE 381 N 1.24 0.23 0.26 -5.34 -0.71 -1.26 -4.55 117.98 107.86 3fwg s PHE 381 Ca -0.05 -0.59 -0.06 0.00 -1.04 0.00 0.00 56.93 55.18 3fwg s PHE 381 Cb -0.18 0.06 -0.01 0.00 -1.21 0.00 0.00 43.02 41.67 3fwg s PHE 381 CO -0.07 -0.74 0.38 -1.12 -1.34 0.00 0.00 175.22 172.33 3fwg s SER 382 N -2.93 0.33 0.25 1.98 0.01 -0.63 -4.71 113.70 108.00 3fwg s SER 382 Ca 0.13 -1.24 -0.30 0.00 1.31 0.00 0.00 55.95 55.85 3fwg s SER 382 Cb 0.02 0.55 -0.09 0.00 0.21 0.00 0.00 66.02 66.72 3fwg s SER 382 CO -0.02 -1.10 1.14 -0.63 0.41 0.00 0.00 173.24 173.04 3fwg s ILE 383 N -3.76 3.49 0.24 1.44 -1.09 -1.26 -0.98 121.20 119.28 3fwg s ILE 383 Ca 0.30 1.40 -0.30 0.00 -2.23 0.00 0.00 60.65 59.82 3fwg s ILE 383 Cb 0.02 -3.89 -0.14 0.00 -1.58 0.00 0.00 42.46 36.86 3fwg s ILE 383 CO 0.14 0.29 1.14 0.00 -1.23 0.00 0.00 174.94 175.28 3fwg n ALA 384 N 1.67 -0.15 -1.63 9.38 0.00 -0.16 -4.73 120.51 124.88 3fwg n ALA 384 Ca 0.01 0.42 -0.47 0.00 0.00 0.00 0.00 53.44 53.40 3fwg n ALA 384 Cb 0.45 -2.07 -0.04 0.00 0.00 0.00 0.00 19.45 17.79 3fwg n ALA 384 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3fwg n PRO 385 N 1.31 1.65 0.00 0.00 -0.02 -1.26 -2.24 135.00 134.44 3fwg n PRO 385 Ca 0.12 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 3fwg n PRO 385 Cb 0.29 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 3fwg n PRO 385 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fwg n GLY 386 N 2.33 2.86 3.67 -1.23 0.00 -1.26 -4.99 105.19 106.57 3fwg n GLY 386 Ca 0.14 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.69 3fwg n GLY 386 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fwg n ALA 387 N -0.26 1.02 -3.35 4.61 0.00 -0.95 -4.93 120.51 116.65 3fwg n ALA 387 Ca 0.00 0.40 -0.46 0.00 0.00 0.00 0.00 53.44 53.38 3fwg n ALA 387 Cb 0.00 -2.38 -0.04 0.00 0.00 0.00 0.00 19.45 17.03 3fwg n ALA 387 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3fwg s GLN 388 N 1.95 3.24 0.14 0.00 -1.52 -1.26 -4.97 119.66 117.24 3fwg s GLN 388 Ca 0.84 -2.10 -0.31 0.00 -1.95 0.00 0.00 55.36 51.83 3fwg s GLN 388 Cb -0.71 -4.32 -0.10 0.00 -0.22 0.00 0.00 33.01 27.66 3fwg s GLN 388 CO 0.43 -1.30 1.61 0.42 -0.25 0.00 0.00 175.29 176.21 3fwg s ILE 389 N 0.84 2.67 -0.09 1.08 -1.09 -1.26 -5.00 121.20 118.34 3fwg s ILE 389 Ca 0.11 0.40 0.02 0.00 -2.23 0.00 0.00 60.65 58.95 3fwg s ILE 389 Cb -0.20 -3.26 -0.02 0.00 -1.58 0.00 0.00 42.46 37.41 3fwg s ILE 389 CO -0.03 0.02 -0.16 -1.10 -1.23 0.00 0.00 174.94 172.44 3fwg s GLN 390 N 1.58 2.97 0.41 2.79 -0.21 -1.26 -5.00 119.66 120.94 3fwg s GLN 390 Ca 0.72 -0.73 0.03 0.00 0.02 0.00 0.00 55.36 55.40 3fwg s GLN 390 Cb -0.43 -2.47 -0.00 0.00 1.00 0.00 0.00 33.01 31.11 3fwg s GLN 390 CO 0.32 0.37 0.59 -1.01 -2.12 0.00 0.00 175.29 173.44 3fwg s HIS 391 N -0.07 3.12 0.01 0.91 3.76 -1.26 -0.64 115.29 121.12 3fwg s HIS 391 Ca -0.03 -0.01 0.02 0.00 -0.15 0.00 0.00 55.06 54.89 3fwg s HIS 391 Cb -0.14 -2.23 -0.01 0.00 1.11 0.00 0.00 32.58 31.31 3fwg s HIS 391 CO 0.04 -0.27 -0.08 -1.59 -0.85 0.00 0.00 174.74 171.99 3fwg s LYS 392 N -4.41 0.59 0.13 1.40 -2.85 -0.09 -4.80 119.74 109.71 3fwg s LYS 392 Ca 0.48 -0.43 0.08 0.00 -1.00 0.00 0.00 55.97 55.10 3fwg s LYS 392 Cb -0.10 -0.52 -0.04 0.00 -2.06 0.00 0.00 37.83 35.11 3fwg s LYS 392 CO 0.35 0.13 -0.11 0.45 0.10 0.00 0.00 175.35 176.27 3fwg s SER 393 N -0.63 4.28 0.00 0.03 0.15 -1.26 -0.84 113.70 115.43 3fwg s SER 393 Ca -0.01 -0.48 0.00 0.00 0.70 0.00 0.00 55.95 56.17 3fwg s SER 393 Cb -0.05 -0.76 0.00 0.00 -1.71 0.00 0.00 66.02 63.50 3fwg s SER 393 CO 0.00 0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.20 3fwg n GLY 394 N 0.48 -0.67 0.35 9.45 0.00 -1.17 -4.52 105.19 109.11 3fwg n GLY 394 Ca -0.13 -0.50 -0.01 0.00 0.00 0.00 0.00 46.02 45.37 3fwg n GLY 394 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3fwg h ILE 395 N 0.00 1.19 -3.18 -0.61 1.08 -1.47 -3.38 117.51 111.14 3fwg h ILE 395 Ca 0.00 -0.42 -0.62 0.00 -0.39 0.00 0.00 64.86 63.44 3fwg h ILE 395 Cb 0.00 -0.13 -0.35 0.00 -3.07 0.00 0.00 36.82 33.27 3fwg h ILE 395 CO 0.00 0.22 -0.84 -0.69 -0.69 0.00 0.00 178.15 176.15 3fwg s VAL 396 N -6.10 1.68 0.53 1.67 1.01 -1.26 -0.69 120.40 117.25 3fwg s VAL 396 Ca -0.13 -0.73 -0.09 0.00 0.00 0.00 0.00 61.98 61.04 3fwg s VAL 396 Cb 0.18 -1.54 -0.04 0.00 0.00 0.00 0.00 36.38 34.98 3fwg s VAL 396 CO 0.81 0.48 0.89 -0.44 0.00 0.00 0.00 175.10 176.84 3fwg s SER 397 N 1.17 6.29 0.34 3.32 0.01 0.03 -4.71 113.70 120.15 3fwg s SER 397 Ca -0.01 1.18 -0.07 0.00 1.31 0.00 0.00 55.95 58.36 3fwg s SER 397 Cb -0.14 -2.36 0.03 0.00 0.21 0.00 0.00 66.02 63.76 3fwg s SER 397 CO -0.06 -0.69 0.57 0.61 0.41 0.00 0.00 173.24 174.09 3fwg n GLY 398 N -2.36 1.68 3.38 3.44 0.00 -0.02 -4.77 105.19 106.53 3fwg n GLY 398 Ca 0.03 -1.43 -0.34 0.00 0.00 0.00 0.00 46.02 44.28 3fwg n GLY 398 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fwg s VAL 399 N -2.52 3.30 0.06 1.61 1.01 -1.26 -0.91 120.40 121.70 3fwg s VAL 399 Ca 0.21 -0.55 -0.22 0.00 0.00 0.00 0.00 61.98 61.42 3fwg s VAL 399 Cb -0.03 -2.43 -0.13 0.00 0.00 0.00 0.00 36.38 33.79 3fwg s VAL 399 CO 0.16 0.49 1.56 -0.61 0.00 0.00 0.00 175.10 176.69 3fwg h GLN 400 N 7.11 0.17 -2.40 2.72 5.75 -1.19 -3.46 115.11 123.81 3fwg h GLN 400 Ca -0.32 -0.04 -0.08 0.00 -0.15 0.00 0.00 58.65 58.06 3fwg h GLN 400 Cb 1.19 -0.02 -0.20 0.00 1.07 0.00 0.00 27.48 29.52 3fwg h GLN 400 CO 0.59 0.33 -0.01 0.00 -2.65 0.00 0.00 178.83 177.09 3fwg s ALA 401 N -5.33 -1.39 -0.46 3.38 0.00 -1.26 -4.99 121.76 111.71 3fwg s ALA 401 Ca -0.14 1.09 0.04 0.00 0.00 0.00 0.00 51.96 52.95 3fwg s ALA 401 Cb 0.06 -0.21 0.16 0.00 0.00 0.00 0.00 23.12 23.13 3fwg s ALA 401 CO 0.69 -0.31 0.35 -1.17 0.00 0.00 0.00 175.76 175.32 3fwg s LEU 402 N -0.87 2.07 -0.10 0.00 2.96 -1.26 -4.56 118.68 116.93 3fwg s LEU 402 Ca -0.09 -3.10 -0.30 0.00 -0.22 0.00 0.00 54.13 50.42 3fwg s LEU 402 Cb -0.03 -0.69 -0.03 0.00 0.50 0.00 0.00 46.19 45.94 3fwg s LEU 402 CO 0.06 -0.17 1.38 -2.16 -1.32 0.00 0.00 176.35 174.14 3fwg s PRO 403 N -0.11 4.24 0.11 0.98 0.04 -1.26 -1.18 135.00 137.82 3fwg s PRO 403 Ca 0.29 1.86 0.06 0.00 0.04 0.00 0.00 61.00 63.24 3fwg s PRO 403 Cb -0.02 -3.77 -0.04 0.00 0.04 0.00 0.00 34.50 30.71 3fwg s PRO 403 CO -0.16 -0.70 -0.01 -0.51 0.04 0.00 0.00 177.00 175.66 3fwg s LEU 404 N 3.33 3.40 0.08 -3.56 1.43 -0.31 -0.99 118.68 122.06 3fwg s LEU 404 Ca 0.61 -0.24 0.03 0.00 -1.03 0.00 0.00 54.13 53.50 3fwg s LEU 404 Cb -0.27 -2.12 -0.03 0.00 0.03 0.00 0.00 46.19 43.80 3fwg s LEU 404 CO 0.21 0.16 -0.08 0.68 0.23 0.00 0.00 176.35 177.55 3fwg s VAL 405 N -1.37 0.76 0.24 -1.59 -7.23 -0.15 -1.92 120.40 109.13 3fwg s VAL 405 Ca 0.26 -1.57 -0.22 0.00 -1.81 0.00 0.00 61.98 58.64 3fwg s VAL 405 Cb -0.11 -1.24 0.04 0.00 0.56 0.00 0.00 36.38 35.62 3fwg s VAL 405 CO 0.18 -0.60 0.68 -1.66 -0.31 0.00 0.00 175.10 173.39 3fwg s TRP 406 N -2.48 -0.31 -0.36 2.82 -2.14 -0.08 -1.60 118.94 114.79 3fwg s TRP 406 Ca 0.03 -0.06 -0.18 0.00 2.66 0.00 0.00 56.10 58.54 3fwg s TRP 406 Cb -0.03 0.65 -0.00 0.00 -3.10 0.00 0.00 33.47 31.00 3fwg s TRP 406 CO -0.01 -1.10 0.53 0.34 -2.66 0.00 0.00 176.95 174.05 3fwg s ASP 407 N -2.86 6.33 0.55 -2.66 2.15 -1.26 -4.52 116.67 114.39 3fwg s ASP 407 Ca 0.08 -0.04 0.29 0.00 0.43 0.00 0.00 52.55 53.30 3fwg s ASP 407 Cb -0.04 -2.28 1.46 0.00 -0.30 0.00 0.00 42.92 41.76 3fwg s ASP 407 CO -0.00 -0.51 1.94 -0.65 -0.17 0.00 0.00 175.17 175.77 3fwg h PRO 408 N 8.49 0.00 -0.01 4.34 0.11 -1.87 -0.30 132.00 142.76 3fwg h PRO 408 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3fwg h PRO 408 Cb 1.12 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 3fwg h PRO 408 CO 0.79 0.00 0.01 0.00 -0.21 0.00 0.00 178.00 178.58 3fwg h ALA 409 N 1.60 1.67 -0.00 -0.75 0.00 -1.94 -1.99 119.26 117.85 3fwg h ALA 409 Ca 0.30 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3fwg h ALA 409 Cb 1.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3fwg h ALA 409 CO -0.00 -0.01 -0.21 0.25 0.00 0.00 0.00 179.25 179.27 3fwg n THR 410 N -4.05 0.00 -2.34 0.00 -2.24 -0.12 -4.93 114.28 100.61 3fwg n THR 410 Ca -0.03 -0.07 -0.25 0.00 -2.27 0.00 0.00 64.05 61.43 3fwg n THR 410 Cb 0.09 0.11 0.05 0.00 -2.10 0.00 0.00 70.33 68.49 3fwg n THR 410 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3fwg s THR 411 N -2.59 2.74 -0.04 4.28 -4.23 -0.75 -4.67 115.64 110.38 3fwg s THR 411 Ca 0.24 -0.26 0.00 0.00 -1.18 0.00 0.00 61.69 60.49 3fwg s THR 411 Cb 0.19 -3.13 0.03 0.00 1.34 0.00 0.00 72.50 70.92 3fwg s THR 411 CO 0.53 -0.13 -0.01 -0.75 -0.54 0.00 0.00 174.62 173.71 3fwg s LYS 412 N -5.09 0.53 -0.20 3.99 2.47 -0.17 -5.03 119.74 116.23 3fwg s LYS 412 Ca 0.58 0.02 -0.24 0.00 -1.56 0.00 0.00 55.97 54.76 3fwg s LYS 412 Cb -0.11 -0.68 -0.01 0.00 -1.46 0.00 0.00 37.83 35.57 3fwg s LYS 412 CO 0.44 -0.14 0.80 0.00 0.16 0.00 0.00 175.35 176.61 3fwg s ALA 413 N 1.13 3.58 0.00 3.13 0.00 -1.26 -4.35 121.76 123.98 3fwg s ALA 413 Ca -0.08 -0.08 0.00 0.00 0.00 0.00 0.00 51.96 51.80 3fwg s ALA 413 Cb -0.14 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.77 3fwg s ALA 413 CO -0.01 -0.76 0.35 0.28 0.00 0.00 0.00 175.76 175.62