#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fwg s ALA 12 N 0.00 3.25 0.14 -1.18 0.00 0.73 -4.98 121.76 119.71 3fwg s ALA 12 Ca 0.00 0.59 -0.35 0.00 0.00 0.00 0.00 51.96 52.20 3fwg s ALA 12 Cb 0.00 -3.28 -0.16 0.00 0.00 0.00 0.00 23.12 19.68 3fwg s ALA 12 CO 0.00 -0.03 1.30 -2.30 0.00 0.00 0.00 175.76 174.72 3fwg n PRO 13 N 2.75 1.30 -1.75 0.00 -0.02 -1.26 -4.76 135.00 131.26 3fwg n PRO 13 Ca 0.02 0.47 -0.42 0.00 -2.02 0.00 0.00 63.50 61.55 3fwg n PRO 13 Cb 0.49 -2.07 -0.03 0.00 -0.02 0.00 0.00 33.50 31.87 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 0.56 4.40 0.42 2.45 2.96 -1.26 -4.97 118.68 123.25 3fwg s LEU 14 Ca 0.78 2.61 -0.26 0.00 -0.22 0.00 0.00 54.13 57.05 3fwg s LEU 14 Cb -0.87 -3.54 -0.08 0.00 0.50 0.00 0.00 46.19 42.19 3fwg s LEU 14 CO 0.48 -1.01 1.34 -2.84 -1.32 0.00 0.00 176.35 173.01 3fwg s PRO 15 N 3.84 3.87 0.54 0.98 0.02 -1.26 -4.91 135.00 138.07 3fwg s PRO 15 Ca 0.83 2.24 0.23 0.00 0.02 0.00 0.00 61.00 64.32 3fwg s PRO 15 Cb -0.42 -2.72 1.39 0.00 0.02 0.00 0.00 34.50 32.78 3fwg s PRO 15 CO 0.38 -0.60 2.06 -1.35 -0.33 0.00 0.00 177.00 177.15 3fwg h PRO 16 N 2.55 0.00 0.00 5.54 0.11 -2.04 -1.30 132.00 136.86 3fwg h PRO 16 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3fwg h PRO 16 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3fwg h PRO 16 CO 0.62 0.00 0.00 1.12 -0.21 0.00 0.00 178.00 179.53 3fwg h HIS 17 N 0.00 0.00 -3.57 0.65 2.07 -1.97 -3.43 115.15 108.91 3fwg h HIS 17 Ca 0.15 0.00 -0.63 0.00 -2.85 0.00 0.00 60.37 57.04 3fwg h HIS 17 Cb 0.61 0.00 -0.13 0.00 2.57 0.00 0.00 27.41 30.46 3fwg h HIS 17 CO 0.00 0.00 0.08 0.08 -3.07 0.00 0.00 177.93 175.02 3fwg s VAL 18 N -3.26 4.95 0.32 6.12 1.01 -0.49 -4.89 120.40 124.15 3fwg s VAL 18 Ca 0.07 0.63 -0.29 0.00 0.00 0.00 0.00 61.98 62.39 3fwg s VAL 18 Cb 0.09 -4.00 -0.10 0.00 0.00 0.00 0.00 36.38 32.37 3fwg s VAL 18 CO 0.58 -0.20 1.24 -2.16 0.00 0.00 0.00 175.10 174.56 3fwg s PRO 19 N 2.56 4.45 0.54 2.72 0.04 -1.26 -4.80 135.00 139.24 3fwg s PRO 19 Ca 0.23 2.08 0.28 0.00 0.04 0.00 0.00 61.00 63.63 3fwg s PRO 19 Cb -0.15 -3.11 1.45 0.00 0.04 0.00 0.00 34.50 32.73 3fwg s PRO 19 CO 0.13 -0.06 1.95 0.93 0.04 0.00 0.00 177.00 179.99 3fwg h GLU 20 N 3.51 0.00 0.00 4.56 3.07 -1.96 -1.66 114.58 122.11 3fwg h GLU 20 Ca -0.48 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.38 3fwg h GLU 20 Cb 1.22 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.13 3fwg h GLU 20 CO 0.66 0.00 0.00 -2.39 -1.40 0.00 0.00 179.01 175.88 3fwg n HIS 21 N -4.24 0.28 -0.36 4.33 1.44 -1.26 -2.81 115.22 112.60 3fwg n HIS 21 Ca 0.12 0.10 0.11 0.00 -2.01 0.00 0.00 57.72 56.05 3fwg n HIS 21 Cb 0.73 -0.67 0.31 0.00 0.12 0.00 0.00 29.99 30.49 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 -1.75 3.88 -4.65 2.39 4.77 -0.62 -4.95 117.00 116.07 3fwg n LEU 22 Ca 0.04 -2.01 -0.41 0.00 -0.03 0.00 0.00 56.01 53.60 3fwg n LEU 22 Cb 0.24 -0.47 -0.05 0.00 -2.33 0.00 0.00 43.42 40.81 3fwg n LEU 22 CO 0.19 0.96 0.59 -0.69 -1.33 0.00 0.00 177.39 177.12 3fwg s VAL 23 N -1.02 4.88 -0.19 4.08 1.01 -1.12 0.07 120.40 128.10 3fwg s VAL 23 Ca 0.47 1.51 -0.04 0.00 0.00 0.00 0.00 61.98 63.92 3fwg s VAL 23 Cb 0.24 -4.09 0.06 0.00 0.00 0.00 0.00 36.38 32.60 3fwg s VAL 23 CO 0.32 -0.03 0.07 0.12 0.00 0.00 0.00 175.10 175.58 3fwg s PHE 24 N 2.58 0.61 -1.51 5.22 2.19 0.45 -4.91 117.98 122.60 3fwg s PHE 24 Ca 0.34 -0.62 -0.09 0.00 0.33 0.00 0.00 56.93 56.89 3fwg s PHE 24 Cb -0.16 -0.88 -0.06 0.00 -1.31 0.00 0.00 43.02 40.61 3fwg s PHE 24 CO 0.09 -0.58 2.91 -0.25 1.83 0.00 0.00 175.22 179.21 3fwg n ASP 25 N 5.16 8.52 -4.71 6.13 8.00 -1.26 -3.66 116.55 134.73 3fwg n ASP 25 Ca -0.08 -2.66 -0.42 0.00 0.71 0.00 0.00 54.79 52.35 3fwg n ASP 25 Cb 0.48 -1.52 -0.03 0.00 -0.02 0.00 0.00 41.12 40.02 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 1.59 3.44 -0.43 1.24 5.36 -1.26 -4.82 117.98 123.10 3fwg s PHE 26 Ca 0.67 1.31 -0.10 0.00 -0.96 0.00 0.00 56.93 57.85 3fwg s PHE 26 Cb 0.19 -3.42 0.08 0.00 -0.34 0.00 0.00 43.02 39.53 3fwg s PHE 26 CO -0.06 -1.27 0.28 0.34 -1.46 0.00 0.00 175.22 173.04 3fwg s ASP 27 N 1.01 5.71 0.61 6.13 -1.08 -1.26 -4.59 116.67 123.20 3fwg s ASP 27 Ca 0.58 -1.48 0.40 0.00 -0.52 0.00 0.00 52.55 51.53 3fwg s ASP 27 Cb -0.30 -2.01 1.98 0.00 -1.46 0.00 0.00 42.92 41.13 3fwg s ASP 27 CO 0.29 -0.55 2.20 0.00 0.52 0.00 0.00 175.17 177.63 3fwg h MET 28 N 8.45 0.00 -0.00 4.34 -0.00 -1.96 -1.15 114.93 124.61 3fwg h MET 28 Ca -0.24 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.46 3fwg h MET 28 Cb 1.09 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.69 3fwg h MET 28 CO 0.77 0.00 -0.85 0.66 -0.00 0.00 0.00 176.91 177.50 3fwg n TYR 29 N -3.06 0.00 -2.74 -0.10 4.01 -1.26 -2.99 117.16 111.02 3fwg n TYR 29 Ca -0.01 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.65 3fwg n TYR 29 Cb 0.16 -0.05 0.06 0.00 -0.31 0.00 0.00 39.34 39.20 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 -1.34 -2.72 -4.77 7.72 5.15 -0.89 -4.52 115.26 113.89 3fwg n ASN 30 Ca 0.05 -3.21 -0.36 0.00 -0.60 0.00 0.00 54.58 50.46 3fwg n ASN 30 Cb 0.34 1.75 -0.00 0.00 -0.53 0.00 0.00 39.78 41.35 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 0.61 3.51 0.31 1.20 0.04 -0.49 -4.66 135.00 135.52 3fwg s PRO 31 Ca 0.31 1.68 -0.01 0.00 0.04 0.00 0.00 61.00 63.02 3fwg s PRO 31 Cb 0.23 -2.16 0.48 0.00 0.04 0.00 0.00 34.50 33.09 3fwg s PRO 31 CO -0.22 -0.74 1.94 0.77 0.04 0.00 0.00 177.00 178.79 3fwg h SER 32 N 1.53 0.84 -0.41 6.66 0.02 -1.90 -2.64 113.55 117.65 3fwg h SER 32 Ca -0.50 -0.06 -0.10 0.00 -0.84 0.00 0.00 61.79 60.29 3fwg h SER 32 Cb 1.26 -0.21 -0.06 0.00 0.14 0.00 0.00 62.40 63.52 3fwg h SER 32 CO 0.58 0.67 0.13 -3.20 -1.14 0.00 0.00 176.83 173.87 3fwg n ASN 33 N -4.38 3.60 -0.23 3.07 5.15 -1.26 -4.63 115.26 116.58 3fwg n ASN 33 Ca 0.07 -2.66 0.10 0.00 -0.60 0.00 0.00 54.58 51.48 3fwg n ASN 33 Cb 0.09 -0.64 0.38 0.00 -0.53 0.00 0.00 39.78 39.08 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 1.81 0.64 -2.25 1.20 5.85 -1.73 -1.15 115.31 119.68 3fwg h LEU 34 Ca 0.13 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 3fwg h LEU 34 Cb 1.60 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 42.52 3fwg h LEU 34 CO 0.40 0.36 -0.03 0.77 -0.34 0.00 0.00 178.44 179.61 3fwg h SER 35 N 0.70 0.00 0.74 1.25 4.64 -1.87 0.07 113.55 119.07 3fwg h SER 35 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 3fwg h SER 35 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 3fwg h SER 35 CO -0.15 0.03 0.00 0.00 -0.87 0.00 0.00 176.83 175.83 3fwg n ALA 36 N -2.14 2.22 0.00 5.18 0.00 -0.43 -4.99 120.51 120.34 3fwg n ALA 36 Ca -0.02 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.32 3fwg n ALA 36 Cb 0.18 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.22 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 1.06 3.12 0.24 0.00 0.00 0.01 -4.73 105.19 104.88 3fwg n GLY 37 Ca 0.08 -1.70 -0.11 0.00 0.00 0.00 0.00 46.02 44.29 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 -0.67 1.61 3.04 -1.88 0.82 116.25 120.45 3fwg h VAL 38 Ca 0.00 -1.28 -0.06 0.00 -1.01 0.00 0.00 66.70 64.35 3fwg h VAL 38 Cb 0.00 1.24 -0.03 0.00 -2.01 0.00 0.00 31.29 30.49 3fwg h VAL 38 CO 0.00 0.43 0.18 1.56 -1.01 0.00 0.00 177.57 178.73 3fwg h GLN 39 N 0.64 1.05 -0.61 4.17 7.50 -1.92 -1.09 115.11 124.86 3fwg h GLN 39 Ca 0.10 -0.23 -0.02 0.00 0.50 0.00 0.00 58.65 58.99 3fwg h GLN 39 Cb 0.70 -0.15 -0.03 0.00 0.05 0.00 0.00 27.48 28.05 3fwg h GLN 39 CO 0.05 0.92 0.30 0.93 -1.50 0.00 0.00 178.83 179.53 3fwg h GLU 40 N 1.01 0.87 -0.45 1.46 3.07 -1.80 -0.37 114.58 118.37 3fwg h GLU 40 Ca 0.22 -0.12 0.02 0.00 -0.50 0.00 0.00 59.36 58.97 3fwg h GLU 40 Cb 0.33 -0.16 -0.03 0.00 -0.84 0.00 0.00 28.75 28.05 3fwg h GLU 40 CO -0.00 0.69 0.27 0.00 -1.40 0.00 0.00 179.01 178.56 3fwg h ALA 41 N 1.13 0.57 -0.20 3.43 0.00 -0.27 -2.35 119.26 121.57 3fwg h ALA 41 Ca 0.21 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 3fwg h ALA 41 Cb 0.10 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3fwg h ALA 41 CO -0.03 -0.05 -0.24 -1.49 0.00 0.00 0.00 179.25 177.44 3fwg h TRP 42 N 0.53 0.42 0.00 0.00 4.06 -1.01 -3.15 115.95 116.80 3fwg h TRP 42 Ca 0.18 -0.08 0.00 0.00 2.06 0.00 0.00 58.89 61.05 3fwg h TRP 42 Cb 0.01 -0.11 0.00 0.00 -1.00 0.00 0.00 29.16 28.06 3fwg h TRP 42 CO -0.07 0.60 0.00 0.00 -3.56 0.00 0.00 178.44 175.41 3fwg n ALA 43 N -2.48 1.50 0.25 1.49 0.00 -0.17 -1.97 120.51 119.13 3fwg n ALA 43 Ca -0.01 -0.04 0.09 0.00 0.00 0.00 0.00 53.44 53.49 3fwg n ALA 43 Cb 0.38 -1.16 0.65 0.00 0.00 0.00 0.00 19.45 19.32 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 0.88 0.00 0.00 -1.51 -1.50 -0.73 116.25 113.39 3fwg h VAL 44 Ca 0.00 -0.37 0.00 0.00 -1.23 0.00 0.00 66.70 65.10 3fwg h VAL 44 Cb 0.15 1.21 0.00 0.00 -2.13 0.00 0.00 31.29 30.52 3fwg h VAL 44 CO 0.00 0.10 0.00 0.18 -1.23 0.00 0.00 177.57 176.62 3fwg n LEU 45 N -4.14 0.13 -0.75 4.19 4.77 -0.83 -2.48 117.00 117.88 3fwg n LEU 45 Ca -0.03 0.54 0.07 0.00 -0.03 0.00 0.00 56.01 56.56 3fwg n LEU 45 Cb 0.18 -0.53 0.18 0.00 -2.33 0.00 0.00 43.42 40.93 3fwg n LEU 45 CO 0.33 -0.38 0.65 0.00 -1.33 0.00 0.00 177.39 176.66 3fwg n GLN 46 N -1.64 2.81 -1.50 3.23 6.02 -0.28 -4.80 117.38 121.21 3fwg n GLN 46 Ca 0.02 -2.14 -0.33 0.00 -0.01 0.00 0.00 57.00 54.55 3fwg n GLN 46 Cb 0.14 -1.32 0.08 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 -1.00 2.38 0.57 -1.09 2.02 -1.03 -4.91 118.70 115.63 3fwg s GLU 47 Ca 0.27 1.48 0.27 0.00 0.02 0.00 0.00 54.97 57.01 3fwg s GLU 47 Cb 0.14 -1.89 1.68 0.00 0.10 0.00 0.00 34.13 34.16 3fwg s GLU 47 CO 0.19 -1.59 2.22 0.66 0.02 0.00 0.00 175.26 176.75 3fwg h SER 48 N -0.39 0.00 -0.14 -0.19 4.64 -1.94 -1.23 113.55 114.30 3fwg h SER 48 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3fwg h SER 48 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3fwg h SER 48 CO 0.51 0.01 0.00 -0.46 -0.87 0.00 0.00 176.83 176.03 3fwg n ASN 49 N -3.96 1.44 -4.56 4.97 6.94 -1.26 -4.87 115.26 113.96 3fwg n ASN 49 Ca -0.03 -1.66 -0.35 0.00 -0.02 0.00 0.00 54.58 52.52 3fwg n ASN 49 Cb 0.10 -0.09 -0.11 0.00 -2.36 0.00 0.00 39.78 37.32 3fwg n ASN 49 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3fwg s VAL 50 N -1.83 4.48 0.95 3.53 1.01 -0.47 -5.10 120.40 122.98 3fwg s VAL 50 Ca 0.32 -0.14 -0.11 0.00 0.00 0.00 0.00 61.98 62.05 3fwg s VAL 50 Cb 0.17 -3.03 0.16 0.00 0.00 0.00 0.00 36.38 33.69 3fwg s VAL 50 CO 0.26 0.44 1.11 -2.16 0.00 0.00 0.00 175.10 174.75 3fwg s PRO 51 N 0.67 0.78 0.54 2.72 0.04 -1.26 -4.86 135.00 133.63 3fwg s PRO 51 Ca 0.02 1.30 0.28 0.00 0.04 0.00 0.00 61.00 62.65 3fwg s PRO 51 Cb -0.13 -1.72 1.56 0.00 0.04 0.00 0.00 34.50 34.25 3fwg s PRO 51 CO 0.02 -2.71 2.12 -0.44 0.04 0.00 0.00 177.00 176.03 3fwg h ASP 52 N -1.92 0.00 -2.74 6.66 3.32 -1.94 -3.41 116.42 116.39 3fwg h ASP 52 Ca -0.47 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.23 3fwg h ASP 52 Cb 1.28 0.00 -0.37 0.00 0.22 0.00 0.00 39.33 40.46 3fwg h ASP 52 CO 0.46 0.09 -0.65 -0.22 -1.72 0.00 0.00 179.24 177.19 3fwg s LEU 53 N -7.35 -0.00 0.31 1.55 2.96 -1.26 -0.93 118.68 113.96 3fwg s LEU 53 Ca -0.03 -0.21 0.10 0.00 -0.22 0.00 0.00 54.13 53.77 3fwg s LEU 53 Cb 0.14 0.23 -0.05 0.00 0.50 0.00 0.00 46.19 47.00 3fwg s LEU 53 CO 0.57 -0.32 -0.06 0.68 -1.32 0.00 0.00 176.35 175.91 3fwg s VAL 54 N 2.28 2.71 -0.13 1.68 -7.23 -0.60 -4.95 120.40 114.16 3fwg s VAL 54 Ca 0.05 -2.10 -0.01 0.00 -1.81 0.00 0.00 61.98 58.11 3fwg s VAL 54 Cb -0.15 -2.66 -0.02 0.00 0.56 0.00 0.00 36.38 34.11 3fwg s VAL 54 CO -0.10 -0.29 -0.10 0.86 -0.31 0.00 0.00 175.10 175.17 3fwg s TRP 55 N -2.49 2.89 -0.07 2.82 -0.11 0.11 -0.02 118.94 122.07 3fwg s TRP 55 Ca 0.33 -0.45 -0.01 0.00 1.22 0.00 0.00 56.10 57.19 3fwg s TRP 55 Cb -0.02 -1.86 -0.03 0.00 -1.50 0.00 0.00 33.47 30.06 3fwg s TRP 55 CO 0.18 -0.09 -0.01 -0.08 -4.62 0.00 0.00 176.95 172.33 3fwg s THR 56 N 0.20 4.20 -2.45 5.86 -1.32 -0.29 -0.41 115.64 121.42 3fwg s THR 56 Ca -0.06 -0.34 0.28 0.00 -1.21 0.00 0.00 61.69 60.37 3fwg s THR 56 Cb -0.15 -2.77 0.56 0.00 -1.51 0.00 0.00 72.50 68.63 3fwg s THR 56 CO 0.04 0.57 1.77 0.54 -2.21 0.00 0.00 174.62 175.33 3fwg n ARG 57 N 2.04 1.61 -1.96 7.08 1.74 -1.26 -1.37 116.66 124.52 3fwg n ARG 57 Ca -0.18 -0.90 -0.32 0.00 -0.77 0.00 0.00 57.85 55.68 3fwg n ARG 57 Cb 0.53 -1.48 0.02 0.00 -1.02 0.00 0.00 32.46 30.51 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 -2.22 -3.37 0.00 0.00 3.02 -1.26 -1.29 115.26 110.14 3fwg n ASN 59 Ca 0.08 -0.95 0.00 0.00 -0.03 0.00 0.00 54.58 53.69 3fwg n ASN 59 Cb 0.53 -3.11 0.00 0.00 -0.61 0.00 0.00 39.78 36.59 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 -1.54 0.99 0.10 7.41 0.00 -1.26 -4.58 105.19 106.30 3fwg n GLY 60 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.64 3.47 -0.02 0.00 -0.41 -4.87 105.19 100.72 3fwg n GLY 61 Ca 0.00 -1.12 -0.11 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.24 -0.45 0.63 1.61 -3.43 -0.47 -4.75 115.29 108.18 3fwg s HIS 62 Ca 0.00 0.33 -0.15 0.00 -0.80 0.00 0.00 55.06 54.44 3fwg s HIS 62 Cb 0.00 0.54 -0.02 0.00 -1.43 0.00 0.00 32.58 31.67 3fwg s HIS 62 CO 0.00 -0.67 1.07 -1.58 -2.00 0.00 0.00 174.74 171.55 3fwg s TRP 63 N -3.21 2.94 -0.09 0.38 0.52 -0.22 -1.14 118.94 118.12 3fwg s TRP 63 Ca 0.02 1.50 -0.01 0.00 0.02 0.00 0.00 56.10 57.63 3fwg s TRP 63 Cb -0.01 -3.01 0.03 0.00 -1.15 0.00 0.00 33.47 29.33 3fwg s TRP 63 CO -0.09 -1.25 0.00 0.42 0.02 0.00 0.00 176.95 176.06 3fwg s ILE 64 N -2.56 0.40 -0.02 2.03 1.01 0.98 -0.42 121.20 122.62 3fwg s ILE 64 Ca 0.63 0.04 -0.29 0.00 0.00 0.00 0.00 60.65 61.04 3fwg s ILE 64 Cb -0.16 -0.59 -0.03 0.00 0.01 0.00 0.00 42.46 41.68 3fwg s ILE 64 CO 0.41 0.21 0.93 0.00 0.00 0.00 0.00 174.94 176.50 3fwg s ALA 65 N 1.96 3.22 -1.16 9.38 0.00 -0.75 -1.55 121.76 132.86 3fwg s ALA 65 Ca 0.04 0.44 0.17 0.00 0.00 0.00 0.00 51.96 52.62 3fwg s ALA 65 Cb -0.13 -3.28 -0.10 0.00 0.00 0.00 0.00 23.12 19.61 3fwg s ALA 65 CO -0.06 -0.25 0.80 0.25 0.00 0.00 0.00 175.76 176.50 3fwg n THR 66 N 3.95 0.00 -4.68 0.00 -2.24 -0.10 -4.37 114.28 106.83 3fwg n THR 66 Ca 0.05 -0.20 -0.26 0.00 -2.27 0.00 0.00 64.05 61.37 3fwg n THR 66 Cb 0.51 1.09 -0.14 0.00 -2.10 0.00 0.00 70.33 69.69 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 -2.34 1.42 0.29 -0.78 1.81 -1.26 -4.75 118.95 113.35 3fwg s ARG 67 Ca 0.10 -0.92 0.03 0.00 -1.72 0.00 0.00 55.73 53.22 3fwg s ARG 67 Cb 0.13 -1.52 0.68 0.00 -0.45 0.00 0.00 34.95 33.80 3fwg s ARG 67 CO 0.58 0.39 1.74 0.78 -0.68 0.00 0.00 175.30 178.11 3fwg h GLY 68 N 4.95 1.59 0.86 -3.53 0.00 -1.82 -0.71 103.07 104.42 3fwg h GLY 68 Ca -0.42 -0.27 0.02 0.00 0.00 0.00 0.00 47.33 46.67 3fwg h GLY 68 CO 0.44 -0.13 0.22 -1.61 0.00 0.00 0.00 176.54 175.47 3fwg h GLN 69 N 0.60 0.44 -0.25 4.80 5.75 -1.96 0.15 115.11 124.63 3fwg h GLN 69 Ca 0.54 -0.03 -0.20 0.00 -0.15 0.00 0.00 58.65 58.82 3fwg h GLN 69 Cb 0.89 -0.10 0.00 0.00 1.07 0.00 0.00 27.48 29.35 3fwg h GLN 69 CO -0.42 0.29 -0.61 -0.07 -2.65 0.00 0.00 178.83 175.36 3fwg h LEU 70 N 0.45 0.97 -0.08 -2.39 4.07 -1.81 -2.04 115.31 114.47 3fwg h LEU 70 Ca 0.17 -0.55 -0.00 0.00 0.08 0.00 0.00 57.88 57.57 3fwg h LEU 70 Cb 0.04 -0.28 -0.00 0.00 1.08 0.00 0.00 40.66 41.49 3fwg h LEU 70 CO -0.09 1.35 0.05 0.40 -1.08 0.00 0.00 178.44 179.07 3fwg h ILE 71 N 0.64 1.07 -0.23 1.22 2.04 -0.90 -1.24 117.51 120.11 3fwg h ILE 71 Ca -0.00 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.67 3fwg h ILE 71 Cb 1.23 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 38.34 3fwg h ILE 71 CO 0.13 0.06 0.14 0.03 0.00 0.00 0.00 178.15 178.52 3fwg h ARG 72 N 0.06 0.29 -0.56 2.37 3.08 -1.02 -2.02 114.38 116.57 3fwg h ARG 72 Ca 0.03 -0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.11 3fwg h ARG 72 Cb 0.06 -0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.00 3fwg h ARG 72 CO -0.01 0.19 0.30 1.49 -1.07 0.00 0.00 179.97 180.87 3fwg h GLU 73 N 0.30 0.56 -0.33 0.04 4.81 -1.18 -1.69 114.58 117.08 3fwg h GLU 73 Ca 0.08 -0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 59.16 3fwg h GLU 73 Cb -0.03 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.21 3fwg h GLU 73 CO -0.02 0.37 -0.27 0.00 -0.73 0.00 0.00 179.01 178.35 3fwg h ALA 74 N 1.30 0.91 0.00 2.92 0.00 -1.10 -2.46 119.26 120.83 3fwg h ALA 74 Ca 0.25 -0.38 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 3fwg h ALA 74 Cb 0.14 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3fwg h ALA 74 CO -0.16 0.62 -0.40 1.88 0.00 0.00 0.00 179.25 181.18 3fwg h TYR 75 N 0.58 0.00 -0.01 0.00 0.05 -0.98 -2.94 116.97 113.67 3fwg h TYR 75 Ca 0.07 0.00 -0.17 0.00 0.05 0.00 0.00 58.73 58.69 3fwg h TYR 75 Cb 0.76 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.49 3fwg h TYR 75 CO 0.03 0.40 -0.77 0.93 -1.05 0.00 0.00 178.16 177.71 3fwg h GLU 76 N 0.00 0.08 -3.21 4.88 5.08 -1.10 -3.41 114.58 116.92 3fwg h GLU 76 Ca -0.00 -0.08 -0.80 0.00 -1.00 0.00 0.00 59.36 57.48 3fwg h GLU 76 Cb 0.80 0.02 -0.27 0.00 0.50 0.00 0.00 28.75 29.80 3fwg h GLU 76 CO 0.05 0.81 0.80 -3.47 -1.00 0.00 0.00 179.01 176.20 3fwg n ASP 77 N -3.68 6.04 0.04 1.42 2.03 -0.95 -4.81 116.55 116.64 3fwg n ASP 77 Ca -0.02 -3.27 0.08 0.00 0.52 0.00 0.00 54.79 52.10 3fwg n ASP 77 Cb 0.74 -1.33 0.35 0.00 -0.72 0.00 0.00 41.12 40.16 3fwg n ASP 77 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3fwg n TYR 78 N 2.03 0.22 -0.12 -0.67 0.18 -1.26 -1.15 117.16 116.40 3fwg n TYR 78 Ca 0.27 0.09 -0.12 0.00 1.88 0.00 0.00 57.90 60.01 3fwg n TYR 78 Cb 0.35 -0.64 -0.03 0.00 -0.38 0.00 0.00 39.34 38.64 3fwg n TYR 78 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 3fwg h ARG 79 N 0.00 0.80 0.02 -3.48 3.08 -1.94 -3.30 114.38 109.55 3fwg h ARG 79 Ca 0.00 -0.38 -0.32 0.00 0.07 0.00 0.00 59.98 59.35 3fwg h ARG 79 Cb 0.27 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.26 3fwg h ARG 79 CO 0.00 1.01 -1.90 0.72 -1.07 0.00 0.00 179.97 178.73 3fwg n HIS 80 N -4.23 0.80 -3.92 3.04 8.25 -1.06 -4.65 115.22 113.46 3fwg n HIS 80 Ca -0.02 0.27 -0.33 0.00 -0.26 0.00 0.00 57.72 57.37 3fwg n HIS 80 Cb 0.45 -1.14 -0.13 0.00 1.12 0.00 0.00 29.99 30.29 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 -2.57 3.63 0.04 4.41 0.08 -0.30 -1.65 117.98 121.62 3fwg s PHE 81 Ca -0.09 -2.81 -0.13 0.00 0.12 0.00 0.00 56.93 54.02 3fwg s PHE 81 Cb 0.07 -3.03 -0.06 0.00 -0.57 0.00 0.00 43.02 39.43 3fwg s PHE 81 CO 0.81 -0.93 0.41 0.45 -0.10 0.00 0.00 175.22 175.86 3fwg s SER 82 N 1.08 6.74 0.00 1.36 0.15 0.23 -4.17 113.70 119.10 3fwg s SER 82 Ca 0.11 0.90 0.14 0.00 0.70 0.00 0.00 55.95 57.80 3fwg s SER 82 Cb -0.21 -2.22 0.42 0.00 -1.71 0.00 0.00 66.02 62.30 3fwg s SER 82 CO -0.06 0.26 1.34 -1.54 1.20 0.00 0.00 173.24 174.44 3fwg n SER 83 N 1.43 2.03 -0.06 5.45 3.41 -1.26 -0.76 113.62 123.87 3fwg n SER 83 Ca -0.11 -1.95 0.10 0.00 -0.26 0.00 0.00 58.87 56.65 3fwg n SER 83 Cb 0.52 -0.23 0.49 0.00 -0.26 0.00 0.00 64.21 64.73 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 2.30 0.42 -2.60 4.33 4.81 -1.84 -3.31 114.58 118.69 3fwg h GLU 84 Ca 0.00 -0.03 -0.60 0.00 -0.13 0.00 0.00 59.36 58.61 3fwg h GLU 84 Cb 0.52 -0.09 -0.39 0.00 0.63 0.00 0.00 28.75 29.42 3fwg h GLU 84 CO 0.00 0.28 -0.85 0.00 -0.73 0.00 0.00 179.01 177.71 3fwg n PRO 86 N 2.69 0.75 -4.18 0.00 -0.04 -1.25 -3.83 135.00 129.13 3fwg n PRO 86 Ca 0.25 -0.57 -0.30 0.00 -0.04 0.00 0.00 63.50 62.85 3fwg n PRO 86 Cb 0.43 -1.49 -0.09 0.00 -0.04 0.00 0.00 33.50 32.31 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 -2.64 2.84 -0.09 0.54 0.40 -1.26 -0.98 117.98 116.78 3fwg s PHE 87 Ca 0.17 -0.11 -0.02 0.00 -0.60 0.00 0.00 56.93 56.37 3fwg s PHE 87 Cb 0.18 -1.47 -0.03 0.00 0.51 0.00 0.00 43.02 42.20 3fwg s PHE 87 CO 0.63 0.45 0.01 0.42 0.70 0.00 0.00 175.22 177.43 3fwg s ILE 88 N -1.26 4.39 0.92 0.64 1.01 -1.26 -2.92 121.20 122.72 3fwg s ILE 88 Ca 0.23 -0.22 -0.13 0.00 0.00 0.00 0.00 60.65 60.54 3fwg s ILE 88 Cb -0.11 -2.85 0.15 0.00 0.01 0.00 0.00 42.46 39.65 3fwg s ILE 88 CO 0.16 0.60 1.16 -2.16 0.00 0.00 0.00 174.94 174.70 3fwg s PRO 89 N -0.85 1.05 0.27 2.79 0.04 -1.26 -4.86 135.00 132.18 3fwg s PRO 89 Ca 0.13 0.18 0.01 0.00 0.04 0.00 0.00 61.00 61.35 3fwg s PRO 89 Cb -0.11 -1.84 0.59 0.00 0.04 0.00 0.00 34.50 33.18 3fwg s PRO 89 CO 0.02 -2.23 1.76 -0.09 0.04 0.00 0.00 177.00 176.50 3fwg h ARG 90 N -1.52 0.63 -0.66 4.56 2.43 -1.81 -0.73 114.38 117.28 3fwg h ARG 90 Ca -0.49 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.64 3fwg h ARG 90 Cb 1.32 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 30.70 3fwg h ARG 90 CO 0.58 0.42 0.42 1.05 -1.51 0.00 0.00 179.97 180.93 3fwg h GLU 91 N 0.65 0.89 0.09 0.20 9.09 -1.97 0.22 114.58 123.75 3fwg h GLU 91 Ca 0.50 -0.07 -0.00 0.00 0.05 0.00 0.00 59.36 59.84 3fwg h GLU 91 Cb 0.73 -0.19 0.00 0.00 -1.65 0.00 0.00 28.75 27.64 3fwg h GLU 91 CO -0.38 0.61 -0.04 0.00 0.05 0.00 0.00 179.01 179.25 3fwg h ALA 92 N 1.55 -0.12 -0.98 1.06 0.00 -1.46 -1.52 119.26 117.80 3fwg h ALA 92 Ca 0.24 -0.21 0.08 0.00 0.00 0.00 0.00 54.91 55.02 3fwg h ALA 92 Cb -0.06 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 17.70 3fwg h ALA 92 CO -0.05 -0.35 0.63 0.78 0.00 0.00 0.00 179.25 180.26 3fwg h GLY 93 N -0.55 1.50 1.29 0.00 0.00 -1.00 0.15 103.07 104.46 3fwg h GLY 93 Ca -0.01 -0.45 -0.17 0.00 0.00 0.00 0.00 47.33 46.70 3fwg h GLY 93 CO 0.02 0.29 -0.49 0.83 0.00 0.00 0.00 176.54 177.19 3fwg h GLU 94 N 1.10 0.76 -0.05 4.80 5.08 -0.52 -3.06 114.58 122.69 3fwg h GLU 94 Ca 0.44 -0.45 -0.13 0.00 -1.00 0.00 0.00 59.36 58.22 3fwg h GLU 94 Cb 0.25 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 3fwg h GLU 94 CO -0.18 1.07 -0.56 0.00 -1.00 0.00 0.00 179.01 178.34 3fwg h ALA 95 N 0.85 0.97 -1.89 3.43 0.00 -0.73 -3.44 119.26 118.45 3fwg h ALA 95 Ca 0.03 -0.51 -0.60 0.00 0.00 0.00 0.00 54.91 53.82 3fwg h ALA 95 Cb 1.07 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3fwg h ALA 95 CO 0.11 0.70 1.34 0.98 0.00 0.00 0.00 179.25 182.37 3fwg n TYR 96 N -3.89 2.08 -1.83 0.00 4.19 0.49 -4.83 117.16 113.38 3fwg n TYR 96 Ca -0.02 -0.07 0.02 0.00 3.31 0.00 0.00 57.90 61.15 3fwg n TYR 96 Cb 0.58 -2.69 0.03 0.00 0.49 0.00 0.00 39.34 37.75 3fwg n TYR 96 CO 0.00 0.00 0.00 -0.40 0.91 0.00 0.00 176.86 177.37 3fwg n ASP 97 N 9.39 0.49 -4.67 2.98 5.75 -1.26 -4.88 116.55 124.35 3fwg n ASP 97 Ca 0.29 -2.23 -0.38 0.00 -0.01 0.00 0.00 54.79 52.46 3fwg n ASP 97 Cb 0.36 -0.25 0.06 0.00 -1.03 0.00 0.00 41.12 40.26 3fwg n ASP 97 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 3fwg n PHE 98 N -0.28 1.39 -4.94 2.11 3.72 -1.26 -4.81 117.46 113.40 3fwg n PHE 98 Ca 0.03 0.43 -0.33 0.00 -0.05 0.00 0.00 57.45 57.54 3fwg n PHE 98 Cb 0.70 -2.21 -0.14 0.00 -0.94 0.00 0.00 39.48 36.89 3fwg n PHE 98 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3fwg s ILE 99 N -1.44 2.88 -2.00 4.37 1.01 -0.69 -1.32 121.20 124.01 3fwg s ILE 99 Ca 0.78 -0.77 0.29 0.00 0.00 0.00 0.00 60.65 60.94 3fwg s ILE 99 Cb -0.41 -2.13 0.56 0.00 0.01 0.00 0.00 42.46 40.50 3fwg s ILE 99 CO 0.45 0.57 1.88 -2.65 0.00 0.00 0.00 174.94 175.19 3fwg n PRO 100 N 2.67 1.07 0.15 2.79 -0.02 -1.26 -4.11 135.00 136.29 3fwg n PRO 100 Ca -0.17 -0.43 0.02 0.00 -2.02 0.00 0.00 63.50 60.89 3fwg n PRO 100 Cb 0.52 -1.49 0.36 0.00 -0.02 0.00 0.00 33.50 32.87 3fwg n PRO 100 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 3fwg h THR 101 N 1.06 1.23 -0.02 3.45 2.02 -1.92 -1.24 112.91 117.48 3fwg h THR 101 Ca 0.00 -1.06 0.00 0.00 0.77 0.00 0.00 66.41 66.12 3fwg h THR 101 Cb 0.34 1.46 0.00 0.00 -1.74 0.00 0.00 68.15 68.21 3fwg h THR 101 CO 0.00 0.31 0.00 -1.54 0.37 0.00 0.00 175.52 174.66 3fwg n SER 102 N -4.18 0.36 -4.67 4.18 3.41 -0.44 -4.69 113.62 107.60 3fwg n SER 102 Ca -0.01 -1.33 -0.31 0.00 -0.26 0.00 0.00 58.87 56.95 3fwg n SER 102 Cb 0.35 -0.01 -0.09 0.00 -0.26 0.00 0.00 64.21 64.20 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 -1.97 2.59 0.20 4.33 -1.94 -0.47 -3.66 119.30 118.38 3fwg s MET 103 Ca 0.36 -0.77 0.03 0.00 -1.71 0.00 0.00 55.69 53.59 3fwg s MET 103 Cb 0.17 -2.56 -0.03 0.00 2.01 0.00 0.00 34.83 34.42 3fwg s MET 103 CO 0.28 0.57 0.34 -0.51 -0.01 0.00 0.00 175.02 175.69 3fwg s ASP 104 N -2.00 6.34 0.63 3.03 1.01 -1.26 -4.70 116.67 119.72 3fwg s ASP 104 Ca 0.23 0.17 -0.18 0.00 0.71 0.00 0.00 52.55 53.48 3fwg s ASP 104 Cb -0.12 -1.91 -0.03 0.00 1.01 0.00 0.00 42.92 41.88 3fwg s ASP 104 CO 0.15 -0.02 1.10 -2.65 0.21 0.00 0.00 175.17 173.95 3fwg n PRO 105 N -0.95 0.94 0.14 8.23 -0.02 -1.26 -1.91 135.00 140.17 3fwg n PRO 105 Ca -0.07 0.37 0.01 0.00 -2.02 0.00 0.00 63.50 61.79 3fwg n PRO 105 Cb 0.55 -2.32 0.12 0.00 -0.02 0.00 0.00 33.50 31.83 3fwg n PRO 105 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3fwg h PRO 106 N 0.42 0.00 -0.73 0.52 0.13 -2.03 -3.45 132.00 126.86 3fwg h PRO 106 Ca -0.49 0.00 0.11 0.00 -0.87 0.00 0.00 66.00 64.74 3fwg h PRO 106 Cb 1.35 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.44 3fwg h PRO 106 CO 0.51 0.59 0.48 1.49 -0.23 0.00 0.00 178.00 180.84 3fwg h GLU 107 N 0.00 0.56 -0.34 0.86 4.81 -1.89 -2.87 114.58 115.71 3fwg h GLU 107 Ca -0.01 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.14 3fwg h GLU 107 Cb 1.26 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.50 3fwg h GLU 107 CO 0.08 0.37 0.00 0.37 -0.73 0.00 0.00 179.01 179.10 3fwg h GLN 108 N 0.58 0.53 -0.37 1.92 4.15 -1.66 -3.35 115.11 116.91 3fwg h GLN 108 Ca 0.34 -0.11 -0.01 0.00 0.77 0.00 0.00 58.65 59.64 3fwg h GLN 108 Cb 0.55 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.15 3fwg h GLN 108 CO -0.12 0.55 0.17 0.00 -1.93 0.00 0.00 178.83 177.51 3fwg h ARG 109 N 0.51 0.53 -0.65 1.69 3.08 -1.80 -2.36 114.38 115.37 3fwg h ARG 109 Ca 0.11 -0.08 0.18 0.00 0.07 0.00 0.00 59.98 60.26 3fwg h ARG 109 Cb 0.32 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.25 3fwg h ARG 109 CO 0.01 0.48 0.46 -0.56 -1.07 0.00 0.00 179.97 179.29 3fwg h GLN 110 N 0.46 0.07 0.00 0.04 3.07 -1.79 -1.44 115.11 115.51 3fwg h GLN 110 Ca 0.13 -0.00 -0.11 0.00 0.09 0.00 0.00 58.65 58.75 3fwg h GLN 110 Cb 0.13 -0.02 -0.02 0.00 0.08 0.00 0.00 27.48 27.66 3fwg h GLN 110 CO -0.02 0.05 -0.52 0.74 0.09 0.00 0.00 178.83 179.17 3fwg h PHE 111 N 0.07 0.00 -0.81 0.06 0.04 -1.65 -3.15 116.94 111.50 3fwg h PHE 111 Ca 0.31 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.09 3fwg h PHE 111 Cb 1.15 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 39.26 3fwg h PHE 111 CO -0.00 0.52 0.51 0.00 -0.60 0.00 0.00 178.31 178.74 3fwg h ARG 112 N 0.00 1.08 -0.70 1.51 3.08 -1.29 -1.83 114.38 116.23 3fwg h ARG 112 Ca -0.01 -0.08 -0.07 0.00 0.07 0.00 0.00 59.98 59.89 3fwg h ARG 112 Cb 1.27 -0.24 -0.03 0.00 0.08 0.00 0.00 29.97 31.06 3fwg h ARG 112 CO 0.07 0.74 0.16 0.00 -1.07 0.00 0.00 179.97 179.86 3fwg h ALA 113 N 1.46 0.96 -0.21 0.04 0.00 -1.62 -0.73 119.26 119.16 3fwg h ALA 113 Ca 0.29 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 3fwg h ALA 113 Cb -0.08 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.44 3fwg h ALA 113 CO -0.06 0.66 -0.18 1.25 0.00 0.00 0.00 179.25 180.93 3fwg h LEU 114 N 1.06 0.52 -1.64 0.00 5.85 -1.58 -2.73 115.31 116.79 3fwg h LEU 114 Ca 0.22 -0.46 0.04 0.00 0.84 0.00 0.00 57.88 58.52 3fwg h LEU 114 Cb 0.39 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 3fwg h LEU 114 CO 0.00 0.87 0.30 0.00 -0.34 0.00 0.00 178.44 179.28 3fwg h ALA 115 N 0.66 1.84 0.00 1.25 0.00 -1.18 -1.65 119.26 120.18 3fwg h ALA 115 Ca 0.04 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3fwg h ALA 115 Cb 0.71 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 3fwg h ALA 115 CO 0.05 0.10 -0.15 -0.91 0.00 0.00 0.00 179.25 178.33 3fwg h ASN 116 N 0.47 0.00 0.60 0.00 2.35 -0.84 -1.65 115.58 116.51 3fwg h ASN 116 Ca 0.19 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.93 3fwg h ASN 116 Cb 0.16 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.53 3fwg h ASN 116 CO -0.05 0.15 -0.06 1.56 -1.65 0.00 0.00 177.43 177.39 3fwg h GLN 117 N 0.00 0.00 0.00 0.81 4.20 -1.07 -0.76 115.11 118.30 3fwg h GLN 117 Ca -0.00 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.63 3fwg h GLN 117 Cb 0.37 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 3fwg h GLN 117 CO 0.02 0.06 -1.49 1.33 -0.67 0.00 0.00 178.83 178.08 3fwg n VAL 118 N -3.28 0.29 -0.38 -0.54 0.24 -0.85 -4.76 118.33 109.04 3fwg n VAL 118 Ca -0.01 -0.28 0.00 0.00 -2.04 0.00 0.00 64.34 62.01 3fwg n VAL 118 Cb 0.25 -0.25 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 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 -2.06 0.19 -1.61 3.34 0.24 -0.68 -4.86 118.33 112.88 3fwg n VAL 119 Ca -0.08 -0.40 -0.30 0.00 -2.04 0.00 0.00 64.34 61.52 3fwg n VAL 119 Cb 0.50 1.17 0.22 0.00 -1.47 0.00 0.00 33.84 34.26 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 -0.19 1.72 0.31 7.63 0.00 -0.29 -4.45 107.32 112.06 3fwg s GLY 120 Ca 0.00 -1.19 0.07 0.00 0.00 0.00 0.00 44.72 43.60 3fwg s GLY 120 CO 0.00 -0.33 1.68 -0.33 0.00 0.00 0.00 173.10 174.12 3fwg h MET 121 N -2.08 0.37 -0.85 2.90 2.86 -1.90 -1.73 114.93 114.49 3fwg h MET 121 Ca -0.44 -0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.19 3fwg h MET 121 Cb 1.25 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 32.78 3fwg h MET 121 CO 0.33 0.24 0.56 -1.35 1.06 0.00 0.00 176.91 177.75 3fwg h PRO 122 N 0.38 1.12 -0.04 -0.22 0.11 -1.92 -0.90 132.00 130.53 3fwg h PRO 122 Ca 0.62 -0.07 -0.22 0.00 0.11 0.00 0.00 66.00 66.43 3fwg h PRO 122 Cb 1.25 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 32.11 3fwg h PRO 122 CO -0.56 0.75 -0.88 0.28 -0.21 0.00 0.00 178.00 177.38 3fwg h VAL 123 N 1.16 1.36 -0.54 3.15 2.07 -1.63 -2.35 116.25 119.47 3fwg h VAL 123 Ca 0.31 -2.28 0.02 0.00 0.82 0.00 0.00 66.70 65.57 3fwg h VAL 123 Cb -0.12 2.28 -0.03 0.00 -1.52 0.00 0.00 31.29 31.89 3fwg h VAL 123 CO -0.07 0.69 0.33 0.58 0.02 0.00 0.00 177.57 179.12 3fwg h VAL 124 N 0.30 1.06 -0.86 2.57 2.07 -1.09 0.64 116.25 120.95 3fwg h VAL 124 Ca -0.07 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.23 3fwg h VAL 124 Cb 1.50 0.36 -0.04 0.00 -1.52 0.00 0.00 31.29 31.58 3fwg h VAL 124 CO 0.16 0.12 0.54 0.44 0.02 0.00 0.00 177.57 178.85 3fwg h ASP 125 N 0.65 1.01 -0.83 0.57 3.32 -1.09 -1.29 116.42 118.76 3fwg h ASP 125 Ca 0.21 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.22 3fwg h ASP 125 Cb 0.01 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.27 3fwg h ASP 125 CO -0.09 0.76 0.52 0.11 -1.72 0.00 0.00 179.24 178.82 3fwg h LYS 126 N 1.17 1.12 -0.00 3.56 1.57 -0.82 -3.17 116.57 120.00 3fwg h LYS 126 Ca 0.31 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 3fwg h LYS 126 Cb -0.09 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 31.98 3fwg h LYS 126 CO -0.06 0.77 -0.40 1.28 -0.57 0.00 0.00 179.45 180.47 3fwg n LEU 127 N -4.47 0.54 -0.32 2.94 4.77 0.15 -4.41 117.00 116.20 3fwg n LEU 127 Ca 0.09 0.01 0.04 0.00 -0.03 0.00 0.00 56.01 56.11 3fwg n LEU 127 Cb 0.04 -0.25 0.19 0.00 -2.33 0.00 0.00 43.42 41.07 3fwg n LEU 127 CO 0.37 0.12 1.19 -0.08 -1.33 0.00 0.00 177.39 177.66 3fwg h GLU 128 N 0.22 0.88 -0.16 3.23 4.81 -1.21 -0.72 114.58 121.62 3fwg h GLU 128 Ca 0.00 -0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.21 3fwg h GLU 128 Cb 0.49 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.64 3fwg h GLU 128 CO 0.00 0.58 -0.04 -0.91 -0.73 0.00 0.00 179.01 177.91 3fwg h ASN 129 N 0.91 -0.15 0.10 1.04 2.35 -1.82 -0.67 115.58 117.33 3fwg h ASN 129 Ca 0.43 0.05 -0.11 0.00 -0.55 0.00 0.00 56.30 56.12 3fwg h ASN 129 Cb 0.36 0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.82 3fwg h ASN 129 CO -0.24 -0.05 -0.35 0.03 -1.65 0.00 0.00 177.43 175.17 3fwg h ARG 130 N -0.00 0.36 -0.09 0.81 2.47 -1.62 -0.30 114.38 116.00 3fwg h ARG 130 Ca 0.08 -0.16 -0.02 0.00 -1.26 0.00 0.00 59.98 58.62 3fwg h ARG 130 Cb 0.12 -0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 28.43 3fwg h ARG 130 CO -0.17 0.67 -0.00 0.82 0.56 0.00 0.00 179.97 181.85 3fwg h ILE 131 N 0.31 1.26 -0.35 2.04 2.04 -0.93 -0.92 117.51 120.96 3fwg h ILE 131 Ca 0.04 -0.83 0.02 0.00 1.00 0.00 0.00 64.86 65.08 3fwg h ILE 131 Cb 0.77 1.63 -0.02 0.00 -0.74 0.00 0.00 36.82 38.45 3fwg h ILE 131 CO 0.06 0.23 0.20 -0.61 0.00 0.00 0.00 178.15 178.04 3fwg h GLN 132 N -0.12 0.40 -0.59 2.37 5.75 -0.97 -1.83 115.11 120.12 3fwg h GLN 132 Ca 0.03 -0.02 0.06 0.00 -0.15 0.00 0.00 58.65 58.56 3fwg h GLN 132 Cb 0.37 -0.09 -0.05 0.00 1.07 0.00 0.00 27.48 28.77 3fwg h GLN 132 CO 0.01 0.26 0.29 1.49 -2.65 0.00 0.00 178.83 178.23 3fwg h GLU 133 N 0.41 0.53 -0.25 1.69 4.22 -0.95 -1.44 114.58 118.79 3fwg h GLU 133 Ca 0.14 -0.03 -0.12 0.00 0.08 0.00 0.00 59.36 59.43 3fwg h GLU 133 Cb 0.01 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.14 3fwg h GLU 133 CO -0.07 0.35 -0.32 1.25 -2.18 0.00 0.00 179.01 178.04 3fwg h LEU 134 N 0.54 0.71 -0.26 1.64 5.85 -0.91 -1.11 115.31 121.78 3fwg h LEU 134 Ca 0.27 -0.50 0.05 0.00 0.84 0.00 0.00 57.88 58.54 3fwg h LEU 134 Cb 0.21 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 40.99 3fwg h LEU 134 CO -0.20 1.07 -0.04 0.00 -0.34 0.00 0.00 178.44 178.93 3fwg h ALA 135 N 0.66 0.19 -0.69 1.25 0.00 -1.13 -0.20 119.26 119.33 3fwg h ALA 135 Ca 0.03 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3fwg h ALA 135 Cb 0.90 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 3fwg h ALA 135 CO 0.08 -0.45 0.37 0.00 0.00 0.00 0.00 179.25 179.25 3fwg h SER 137 N 0.95 -0.07 -0.58 0.00 0.87 -0.86 -0.39 113.55 113.47 3fwg h SER 137 Ca 0.24 -0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 3fwg h SER 137 Cb 0.05 0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.00 3fwg h SER 137 CO -0.04 0.13 0.37 -0.07 -0.53 0.00 0.00 176.83 176.70 3fwg h LEU 138 N -0.28 0.68 -0.21 2.23 3.38 -0.96 -2.36 115.31 117.78 3fwg h LEU 138 Ca -0.01 -0.03 -0.15 0.00 0.09 0.00 0.00 57.88 57.78 3fwg h LEU 138 Cb 0.25 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3fwg h LEU 138 CO 0.01 0.51 -0.45 0.40 0.09 0.00 0.00 178.44 179.00 3fwg h ILE 139 N 0.78 1.32 -0.63 1.22 2.04 -1.22 -2.57 117.51 118.44 3fwg h ILE 139 Ca 0.21 -1.67 -0.01 0.00 1.00 0.00 0.00 64.86 64.39 3fwg h ILE 139 Cb -0.06 1.84 -0.03 0.00 -0.74 0.00 0.00 36.82 37.82 3fwg h ILE 139 CO -0.04 0.53 0.36 -0.08 0.00 0.00 0.00 178.15 178.91 3fwg h GLU 140 N 0.38 0.86 -0.30 2.37 4.57 -1.02 0.11 114.58 121.55 3fwg h GLU 140 Ca 0.00 -0.08 -0.09 0.00 -1.18 0.00 0.00 59.36 58.01 3fwg h GLU 140 Cb 1.06 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 29.46 3fwg h GLU 140 CO 0.10 0.62 -0.19 1.03 -1.18 0.00 0.00 179.01 179.39 3fwg h SER 141 N 0.87 0.55 0.75 1.04 0.87 -1.29 -3.03 113.55 113.33 3fwg h SER 141 Ca 0.23 -0.17 -0.23 0.00 -1.23 0.00 0.00 61.79 60.38 3fwg h SER 141 Cb 0.00 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 61.80 3fwg h SER 141 CO -0.04 0.76 -1.06 -0.07 -0.53 0.00 0.00 176.83 175.89 3fwg h LEU 142 N 0.50 0.23 -0.66 2.23 3.38 -0.99 -3.40 115.31 116.60 3fwg h LEU 142 Ca 0.08 -0.23 0.11 0.00 0.09 0.00 0.00 57.88 57.94 3fwg h LEU 142 Cb 0.62 -0.07 -0.12 0.00 0.09 0.00 0.00 40.66 41.17 3fwg h LEU 142 CO 0.04 1.14 -0.34 -0.09 0.09 0.00 0.00 178.44 179.28 3fwg h ARG 143 N 0.05 -0.13 0.00 1.13 2.43 -0.67 -0.43 114.38 116.77 3fwg h ARG 143 Ca -0.07 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 3fwg h ARG 143 Cb 1.78 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 31.36 3fwg h ARG 143 CO 0.16 -0.09 0.00 -0.35 -1.51 0.00 0.00 179.97 178.18 3fwg n PRO 144 N -5.44 0.06 0.14 0.20 -0.04 -1.26 -3.35 135.00 125.31 3fwg n PRO 144 Ca 0.05 0.26 -0.01 0.00 -0.04 0.00 0.00 63.50 63.77 3fwg n PRO 144 Cb 0.36 -1.60 0.19 0.00 -0.04 0.00 0.00 33.50 32.41 3fwg n PRO 144 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 3fwg h GLN 145 N 0.00 0.02 0.00 0.54 4.20 -1.32 -3.46 115.11 115.09 3fwg h GLN 145 Ca 0.00 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.70 3fwg h GLN 145 Cb 0.33 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.11 3fwg h GLN 145 CO 0.00 0.59 0.00 0.41 -0.67 0.00 0.00 178.83 179.16 3fwg n GLY 146 N 0.14 0.41 3.49 3.46 0.00 -1.21 -4.96 105.19 106.52 3fwg n GLY 146 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 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 0.89 0.09 1.61 -2.07 -1.26 -0.99 119.66 117.36 3fwg s GLN 147 Ca 0.00 -0.32 -0.25 0.00 -1.82 0.00 0.00 55.36 52.96 3fwg s GLN 147 Cb 0.00 0.41 0.08 0.00 -1.09 0.00 0.00 33.01 32.41 3fwg s GLN 147 CO 0.00 -0.39 0.72 0.00 -1.32 0.00 0.00 175.29 174.30 3fwg s ASN 149 N -2.64 6.42 0.27 0.00 0.01 -1.26 -1.42 114.94 116.32 3fwg s ASN 149 Ca 0.03 -1.97 -0.02 0.00 -0.71 0.00 0.00 52.86 50.19 3fwg s ASN 149 Cb -0.01 -2.27 0.41 0.00 0.41 0.00 0.00 41.25 39.79 3fwg s ASN 149 CO -0.11 -0.89 1.89 0.15 -1.51 0.00 0.00 177.10 176.63 3fwg h PHE 150 N 8.66 1.19 -0.45 2.20 3.57 -1.42 0.15 116.94 130.83 3fwg h PHE 150 Ca -0.12 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.39 3fwg h PHE 150 Cb 1.07 -0.39 -0.02 0.00 2.79 0.00 0.00 35.95 39.39 3fwg h PHE 150 CO 0.92 0.64 0.20 1.79 -2.23 0.00 0.00 178.31 179.62 3fwg h THR 151 N 1.18 1.20 0.14 4.41 1.35 -1.93 -0.09 112.91 119.16 3fwg h THR 151 Ca 0.42 -0.59 -0.28 0.00 -0.55 0.00 0.00 66.41 65.42 3fwg h THR 151 Cb 0.13 0.74 0.01 0.00 -1.73 0.00 0.00 68.15 67.30 3fwg h THR 151 CO -0.16 0.22 -1.25 -0.33 -0.25 0.00 0.00 175.52 173.75 3fwg h GLU 152 N 0.59 0.30 0.00 4.72 5.08 -1.83 -0.92 114.58 122.52 3fwg h GLU 152 Ca 0.15 -0.50 -0.04 0.00 -1.00 0.00 0.00 59.36 57.97 3fwg h GLU 152 Cb 0.16 0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 3fwg h GLU 152 CO -0.02 1.24 -0.82 -0.44 -1.00 0.00 0.00 179.01 177.97 3fwg h ASP 153 N 0.08 0.00 0.00 1.42 3.32 -0.66 -3.40 116.42 117.18 3fwg h ASP 153 Ca -0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.91 3fwg h ASP 153 Cb 1.98 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.53 3fwg h ASP 153 CO 0.21 0.14 0.00 0.00 -1.72 0.00 0.00 179.24 177.87 3fwg n TYR 154 N -2.85 -1.49 -0.35 4.55 4.19 -0.57 -4.79 117.16 115.86 3fwg n TYR 154 Ca -0.01 0.28 0.08 0.00 3.31 0.00 0.00 57.90 61.57 3fwg n TYR 154 Cb 0.61 0.76 0.26 0.00 0.49 0.00 0.00 39.34 41.46 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 1.57 0.00 2.98 0.00 -1.05 -1.15 119.26 121.62 3fwg h ALA 155 Ca 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3fwg h ALA 155 Cb 0.00 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 3fwg h ALA 155 CO 0.00 0.17 -0.04 0.93 0.00 0.00 0.00 179.25 180.32 3fwg h GLU 156 N 0.94 0.00 -0.35 0.00 5.08 -1.40 -3.38 114.58 115.47 3fwg h GLU 156 Ca 0.50 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.82 3fwg h GLU 156 Cb 0.54 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 3fwg h GLU 156 CO -0.26 0.10 0.08 -1.00 -1.00 0.00 0.00 179.01 176.93 3fwg h PRO 157 N -1.00 0.52 0.53 2.33 0.13 -1.75 -1.71 132.00 131.05 3fwg h PRO 157 Ca -0.00 -0.08 -0.03 0.00 -0.87 0.00 0.00 66.00 65.02 3fwg h PRO 157 Cb 0.13 -0.09 0.01 0.00 0.13 0.00 0.00 31.00 31.17 3fwg h PRO 157 CO -0.00 0.48 -0.25 0.35 -0.23 0.00 0.00 178.00 178.35 3fwg h PHE 158 N 0.51 -0.66 -0.48 1.56 3.57 -1.42 0.28 116.94 120.31 3fwg h PHE 158 Ca 0.12 -0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.49 3fwg h PHE 158 Cb 0.20 0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.14 3fwg h PHE 158 CO 0.01 -0.34 -0.17 -1.35 -2.23 0.00 0.00 178.31 174.22 3fwg h PRO 159 N -0.88 0.95 -0.25 6.41 0.11 -1.73 -3.20 132.00 133.41 3fwg h PRO 159 Ca -0.07 -0.39 -0.12 0.00 0.11 0.00 0.00 66.00 65.53 3fwg h PRO 159 Cb 0.61 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.67 3fwg h PRO 159 CO 0.12 1.06 -0.31 0.82 -0.21 0.00 0.00 178.00 179.47 3fwg h ILE 160 N 0.80 1.31 -0.43 4.15 2.04 -1.27 -1.19 117.51 122.93 3fwg h ILE 160 Ca 0.11 -1.50 -0.05 0.00 1.00 0.00 0.00 64.86 64.42 3fwg h ILE 160 Cb 0.74 1.70 -0.02 0.00 -0.74 0.00 0.00 36.82 38.49 3fwg h ILE 160 CO 0.06 0.47 0.05 0.03 0.00 0.00 0.00 178.15 178.76 3fwg h ARG 161 N 0.36 0.67 -0.35 2.37 3.08 -1.06 0.10 114.38 119.55 3fwg h ARG 161 Ca 0.03 -0.14 -0.09 0.00 0.07 0.00 0.00 59.98 59.85 3fwg h ARG 161 Cb 0.89 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.83 3fwg h ARG 161 CO 0.07 0.65 -0.11 0.82 -1.07 0.00 0.00 179.97 180.33 3fwg h ILE 162 N 0.64 1.28 -0.37 2.04 1.08 -1.52 -1.52 117.51 119.14 3fwg h ILE 162 Ca 0.14 -1.20 0.01 0.00 -0.39 0.00 0.00 64.86 63.42 3fwg h ILE 162 Cb 0.33 1.32 -0.02 0.00 -3.07 0.00 0.00 36.82 35.38 3fwg h ILE 162 CO 0.01 0.39 0.24 0.15 -0.69 0.00 0.00 178.15 178.25 3fwg h PHE 163 N 0.49 0.45 -0.90 1.37 3.57 -0.70 -0.76 116.94 120.46 3fwg h PHE 163 Ca 0.09 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.62 3fwg h PHE 163 Cb 0.63 -0.15 -0.05 0.00 2.79 0.00 0.00 35.95 39.17 3fwg h PHE 163 CO 0.05 0.28 0.59 0.52 -2.23 0.00 0.00 178.31 177.52 3fwg h MET 164 N 0.48 1.15 0.16 1.11 2.86 -0.90 0.40 114.93 120.20 3fwg h MET 164 Ca 0.14 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.70 3fwg h MET 164 Cb -0.04 -0.26 0.00 0.00 0.06 0.00 0.00 31.60 31.37 3fwg h MET 164 CO -0.04 0.76 -0.08 1.25 1.06 0.00 0.00 176.91 179.86 3fwg h LEU 165 N 1.18 -0.19 -0.93 1.22 5.85 -0.94 -0.14 115.31 121.36 3fwg h LEU 165 Ca 0.34 -0.06 0.07 0.00 0.84 0.00 0.00 57.88 59.08 3fwg h LEU 165 Cb -0.07 0.05 -0.07 0.00 0.37 0.00 0.00 40.66 40.94 3fwg h LEU 165 CO -0.09 -0.06 0.59 0.25 -0.34 0.00 0.00 178.44 178.79 3fwg h LEU 166 N -0.29 0.92 -0.36 2.25 5.85 -0.64 -2.26 115.31 120.78 3fwg h LEU 166 Ca -0.02 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3fwg h LEU 166 Cb 0.23 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.09 3fwg h LEU 166 CO 0.04 0.57 -0.17 0.00 -0.34 0.00 0.00 178.44 178.54 3fwg n ALA 167 N -2.36 2.88 -3.26 1.25 0.00 0.09 -0.88 120.51 118.23 3fwg n ALA 167 Ca 0.15 -0.33 -0.19 0.00 0.00 0.00 0.00 53.44 53.07 3fwg n ALA 167 Cb 0.21 -1.25 0.06 0.00 0.00 0.00 0.00 19.45 18.47 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 1.30 -0.26 3.52 0.00 0.00 -0.23 -4.33 105.19 105.20 3fwg n GLY 168 Ca 0.14 0.04 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 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 -5.92 2.90 0.35 0.99 1.43 -0.26 -5.05 118.68 113.13 3fwg s LEU 169 Ca 0.42 -0.16 -0.27 0.00 -1.03 0.00 0.00 54.13 53.09 3fwg s LEU 169 Cb -0.19 -1.62 -0.09 0.00 0.03 0.00 0.00 46.19 44.32 3fwg s LEU 169 CO 0.52 0.34 1.20 -2.16 0.23 0.00 0.00 176.35 176.48 3fwg s PRO 170 N -0.90 4.27 0.60 1.29 0.04 -1.26 -4.52 135.00 134.52 3fwg s PRO 170 Ca 0.13 1.96 0.33 0.00 0.04 0.00 0.00 61.00 63.46 3fwg s PRO 170 Cb -0.11 -2.91 1.92 0.00 0.04 0.00 0.00 34.50 33.44 3fwg s PRO 170 CO 0.02 -0.17 2.26 0.93 0.04 0.00 0.00 177.00 180.08 3fwg h GLU 171 N 3.12 0.00 0.00 4.56 5.08 -1.98 -1.41 114.58 123.96 3fwg h GLU 171 Ca -0.48 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 3fwg h GLU 171 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 3fwg h GLU 171 CO 0.64 0.02 0.00 0.93 -1.00 0.00 0.00 179.01 179.60 3fwg h GLU 172 N 0.00 0.00 -0.00 2.33 3.07 -2.05 -1.52 114.58 116.41 3fwg h GLU 172 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3fwg h GLU 172 Cb 0.06 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.97 3fwg h GLU 172 CO 0.00 0.00 -0.17 -0.25 -1.40 0.00 0.00 179.01 177.19 3fwg n ASP 173 N -2.81 0.53 0.05 1.42 8.00 -0.53 -4.40 116.55 118.80 3fwg n ASP 173 Ca -0.01 -0.49 -0.11 0.00 0.71 0.00 0.00 54.79 54.89 3fwg n ASP 173 Cb 0.13 -0.04 -0.05 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 0.56 0.80 -1.00 0.53 2.04 -1.43 -2.10 117.51 116.90 3fwg h ILE 174 Ca 0.00 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.93 3fwg h ILE 174 Cb 0.41 0.80 -0.07 0.00 -0.74 0.00 0.00 36.82 37.22 3fwg h ILE 174 CO 0.00 0.00 0.65 -0.65 0.00 0.00 0.00 178.15 178.15 3fwg h PRO 175 N -0.13 1.12 0.17 2.37 0.11 -1.81 0.84 132.00 134.66 3fwg h PRO 175 Ca 0.03 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 66.07 3fwg h PRO 175 Cb 0.18 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 31.03 3fwg h PRO 175 CO -0.08 0.74 -0.08 1.25 -0.21 0.00 0.00 178.00 179.62 3fwg h HIS 176 N 1.15 -0.21 -0.64 0.65 -0.00 -1.80 -1.39 115.15 112.92 3fwg h HIS 176 Ca 0.44 -0.00 -0.08 0.00 -0.00 0.00 0.00 60.37 60.72 3fwg h HIS 176 Cb 0.21 0.07 -0.02 0.00 -0.00 0.00 0.00 27.41 27.66 3fwg h HIS 176 CO -0.00 0.01 0.07 -0.07 -0.00 0.00 0.00 177.93 177.94 3fwg h LEU 177 N -0.39 1.02 -0.73 0.26 3.38 -1.05 -1.94 115.31 115.87 3fwg h LEU 177 Ca -0.02 -0.25 -0.08 0.00 0.09 0.00 0.00 57.88 57.61 3fwg h LEU 177 Cb 0.31 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3fwg h LEU 177 CO 0.04 1.03 0.05 0.50 0.09 0.00 0.00 178.44 180.15 3fwg h LYS 178 N 0.99 1.03 0.12 1.13 1.63 -0.84 -0.42 116.57 120.20 3fwg h LYS 178 Ca 0.19 -0.29 0.02 0.00 -0.85 0.00 0.00 60.65 59.72 3fwg h LYS 178 Cb 0.47 -0.11 -0.03 0.00 -0.60 0.00 0.00 32.23 31.95 3fwg h LYS 178 CO 0.02 0.97 -0.25 -0.92 -3.45 0.00 0.00 179.45 175.82 3fwg h TYR 179 N 0.96 -0.67 -0.50 1.91 3.20 -0.92 -1.59 116.97 119.36 3fwg h TYR 179 Ca 0.18 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.07 3fwg h TYR 179 Cb 0.48 0.28 -0.02 0.00 1.54 0.00 0.00 36.73 39.00 3fwg h TYR 179 CO 0.03 -0.35 0.33 -0.07 -1.64 0.00 0.00 178.16 176.46 3fwg h LEU 180 N -0.46 0.58 -0.30 2.82 3.38 -1.07 -2.25 115.31 118.01 3fwg h LEU 180 Ca 0.03 -0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.03 3fwg h LEU 180 Cb 0.48 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 3fwg h LEU 180 CO -0.14 0.43 0.03 0.74 0.09 0.00 0.00 178.44 179.58 3fwg h THR 181 N 0.68 0.81 0.00 0.22 2.02 -1.00 -2.04 112.91 113.60 3fwg h THR 181 Ca 0.18 -0.04 -0.02 0.00 0.77 0.00 0.00 66.41 67.30 3fwg h THR 181 Cb -0.07 0.68 -0.00 0.00 -1.74 0.00 0.00 68.15 67.02 3fwg h THR 181 CO -0.04 0.02 -0.11 0.44 0.37 0.00 0.00 175.52 176.20 3fwg h ASP 182 N 0.12 0.00 1.14 4.18 5.19 -0.97 -0.97 116.42 125.11 3fwg h ASP 182 Ca 0.14 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.53 3fwg h ASP 182 Cb 0.17 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.68 3fwg h ASP 182 CO -0.22 0.11 -0.13 1.56 -3.12 0.00 0.00 179.24 177.45 3fwg h GLN 183 N 0.00 0.00 0.00 3.56 1.08 -0.78 0.17 115.11 119.14 3fwg h GLN 183 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3fwg h GLN 183 Cb 0.24 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.67 3fwg h GLN 183 CO 0.01 0.13 -0.47 0.52 -0.95 0.00 0.00 178.83 178.07 3fwg h MET 184 N 0.00 0.00 0.00 1.46 2.86 -1.03 -3.28 114.93 114.94 3fwg h MET 184 Ca -0.00 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 3fwg h MET 184 Cb 0.73 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.39 3fwg h MET 184 CO 0.02 0.00 -1.16 0.25 1.06 0.00 0.00 176.91 177.08 3fwg n THR 185 N -2.28 0.16 -3.19 2.22 -2.24 -1.11 -4.86 114.28 102.98 3fwg n THR 185 Ca 0.04 -0.07 -0.20 0.00 -2.27 0.00 0.00 64.05 61.55 3fwg n THR 185 Cb 0.46 -0.69 -0.04 0.00 -2.10 0.00 0.00 70.33 67.96 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 -2.46 0.91 -1.66 -0.78 1.74 0.57 -1.38 116.66 113.60 3fwg n ARG 186 Ca -0.05 -3.34 -0.45 0.00 -0.77 0.00 0.00 57.85 53.24 3fwg n ARG 186 Cb 0.56 -1.58 -0.03 0.00 -1.02 0.00 0.00 32.46 30.39 3fwg n ARG 186 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3fwg n PRO 187 N 0.59 1.90 0.00 5.56 -0.04 -1.19 -4.61 135.00 137.21 3fwg n PRO 187 Ca 0.24 0.68 0.14 0.00 -0.04 0.00 0.00 63.50 64.51 3fwg n PRO 187 Cb 0.62 -2.30 0.53 0.00 -0.04 0.00 0.00 33.50 32.31 3fwg n PRO 187 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3fwg n ASP 188 N 2.03 0.62 0.00 3.54 5.68 -1.26 -4.94 116.55 122.22 3fwg n ASP 188 Ca 0.12 -0.62 0.00 0.00 -0.50 0.00 0.00 54.79 53.79 3fwg n ASP 188 Cb 0.31 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.27 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 1.31 2.05 0.16 6.12 0.00 -1.26 -4.95 105.19 108.62 3fwg n GLY 189 Ca 0.13 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.16 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 -3.97 1.61 4.64 -2.00 -3.44 113.55 110.39 3fwg h SER 190 Ca 0.00 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 60.91 3fwg h SER 190 Cb 0.00 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 61.80 3fwg h SER 190 CO 0.00 0.51 -0.78 -0.04 -0.87 0.00 0.00 176.83 175.65 3fwg s MET 191 N -3.69 0.84 0.81 4.77 -1.94 -1.26 -5.11 119.30 113.72 3fwg s MET 191 Ca -0.01 -0.33 -0.11 0.00 -1.71 0.00 0.00 55.69 53.53 3fwg s MET 191 Cb 0.12 -0.80 0.08 0.00 2.01 0.00 0.00 34.83 36.24 3fwg s MET 191 CO 0.73 0.17 1.09 0.95 -0.01 0.00 0.00 175.02 177.96 3fwg s THR 192 N -0.08 3.16 0.21 2.05 -4.23 -1.26 -4.83 115.64 110.66 3fwg s THR 192 Ca 0.01 0.38 -0.09 0.00 -1.18 0.00 0.00 61.69 60.81 3fwg s THR 192 Cb -0.05 -2.96 0.15 0.00 1.34 0.00 0.00 72.50 70.97 3fwg s THR 192 CO -0.00 -0.49 1.76 0.15 -0.54 0.00 0.00 174.62 175.50 3fwg h PHE 193 N -1.19 0.47 -0.83 3.99 3.04 -1.94 -1.70 116.94 118.78 3fwg h PHE 193 Ca -0.46 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 61.50 3fwg h PHE 193 Cb 1.25 -0.12 -0.04 0.00 2.56 0.00 0.00 35.95 39.61 3fwg h PHE 193 CO 0.51 0.14 0.47 0.00 -2.02 0.00 0.00 178.31 177.41 3fwg h ALA 194 N 1.41 1.06 -0.55 2.41 0.00 -1.91 0.55 119.26 122.23 3fwg h ALA 194 Ca 0.31 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 3fwg h ALA 194 Cb 0.36 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3fwg h ALA 194 CO -0.29 0.55 0.07 0.93 0.00 0.00 0.00 179.25 180.51 3fwg h GLU 195 N 1.14 0.93 -0.40 0.00 5.08 -1.82 -1.09 114.58 118.43 3fwg h GLU 195 Ca 0.29 -0.26 -0.08 0.00 -1.00 0.00 0.00 59.36 58.31 3fwg h GLU 195 Cb -0.00 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 3fwg h GLU 195 CO -0.05 0.91 -0.07 0.00 -1.00 0.00 0.00 179.01 178.80 3fwg h ALA 196 N 0.99 0.55 -0.25 3.43 0.00 -0.81 -1.27 119.26 121.89 3fwg h ALA 196 Ca 0.17 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.78 3fwg h ALA 196 Cb 0.45 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3fwg h ALA 196 CO 0.02 0.39 0.14 -0.22 0.00 0.00 0.00 179.25 179.58 3fwg h LYS 197 N 0.57 0.28 -0.09 0.00 3.64 -0.85 -0.98 116.57 119.13 3fwg h LYS 197 Ca 0.10 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.41 3fwg h LYS 197 Cb 0.58 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 3fwg h LYS 197 CO 0.03 0.18 -0.22 0.93 -2.27 0.00 0.00 179.45 178.11 3fwg h GLU 198 N 0.29 0.16 -0.33 1.90 4.39 -1.08 0.12 114.58 120.03 3fwg h GLU 198 Ca 0.10 -0.04 -0.16 0.00 0.34 0.00 0.00 59.36 59.60 3fwg h GLU 198 Cb 0.00 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 3fwg h GLU 198 CO -0.05 0.38 -0.42 0.00 -1.16 0.00 0.00 179.01 177.76 3fwg h ALA 199 N 1.63 0.64 -0.46 3.43 0.00 -0.90 0.20 119.26 123.80 3fwg h ALA 199 Ca 0.03 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 3fwg h ALA 199 Cb 0.48 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3fwg h ALA 199 CO 0.03 0.67 0.24 1.25 0.00 0.00 0.00 179.25 181.45 3fwg h LEU 200 N 0.66 0.58 -1.07 0.00 5.85 -0.51 -2.15 115.31 118.66 3fwg h LEU 200 Ca 0.05 -0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.63 3fwg h LEU 200 Cb 0.99 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.85 3fwg h LEU 200 CO 0.09 0.51 0.20 1.88 -0.34 0.00 0.00 178.44 180.79 3fwg h TYR 201 N 0.60 0.87 -0.88 1.25 0.05 -0.87 -1.88 116.97 116.11 3fwg h TYR 201 Ca 0.16 -0.06 0.01 0.00 0.05 0.00 0.00 58.73 58.88 3fwg h TYR 201 Cb 0.07 -0.26 -0.04 0.00 1.01 0.00 0.00 36.73 37.50 3fwg h TYR 201 CO -0.02 0.70 0.57 0.22 -1.05 0.00 0.00 178.16 178.58 3fwg h ASP 202 N 0.84 1.02 -0.23 3.88 3.58 -0.71 0.84 116.42 125.65 3fwg h ASP 202 Ca 0.20 -0.04 -0.02 0.00 0.42 0.00 0.00 57.03 57.59 3fwg h ASP 202 Cb 0.21 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.00 3fwg h ASP 202 CO -0.01 0.75 0.06 0.22 -2.88 0.00 0.00 179.24 177.39 3fwg h TYR 203 N 1.20 0.38 -0.00 0.28 5.03 -0.98 -3.33 116.97 119.55 3fwg h TYR 203 Ca 0.32 -0.04 -0.21 0.00 2.58 0.00 0.00 58.73 61.38 3fwg h TYR 203 Cb -0.12 -0.11 -0.01 0.00 1.55 0.00 0.00 36.73 38.05 3fwg h TYR 203 CO 0.00 0.45 -0.88 -0.07 -1.32 0.00 0.00 178.16 176.34 3fwg h LEU 204 N 0.20 0.37 -0.36 2.82 3.38 -0.66 -3.38 115.31 117.68 3fwg h LEU 204 Ca 0.07 -0.29 0.07 0.00 0.09 0.00 0.00 57.88 57.83 3fwg h LEU 204 Cb 0.26 -0.11 -0.09 0.00 0.09 0.00 0.00 40.66 40.81 3fwg h LEU 204 CO -0.00 1.08 -0.32 0.40 0.09 0.00 0.00 178.44 179.69 3fwg h ILE 205 N 0.16 0.25 -0.31 1.22 2.04 -0.97 0.64 117.51 120.54 3fwg h ILE 205 Ca -0.05 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.73 3fwg h ILE 205 Cb 1.51 0.25 -0.02 0.00 -0.74 0.00 0.00 36.82 37.82 3fwg h ILE 205 CO 0.14 0.00 -0.13 -0.65 0.00 0.00 0.00 178.15 177.51 3fwg h PRO 206 N -0.27 0.54 -0.48 2.37 0.11 -1.78 -2.10 132.00 130.40 3fwg h PRO 206 Ca 0.16 -0.16 -0.07 0.00 0.11 0.00 0.00 66.00 66.04 3fwg h PRO 206 Cb 0.53 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.57 3fwg h PRO 206 CO -0.51 0.66 0.03 0.82 -0.21 0.00 0.00 178.00 178.80 3fwg h ILE 207 N 0.50 1.26 -0.59 4.15 2.04 -1.55 -1.07 117.51 122.25 3fwg h ILE 207 Ca 0.09 -1.00 -0.05 0.00 1.00 0.00 0.00 64.86 64.89 3fwg h ILE 207 Cb 0.52 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 3fwg h ILE 207 CO 0.03 0.35 0.16 0.40 0.00 0.00 0.00 178.15 179.09 3fwg h ILE 208 N 0.68 1.25 -0.42 -0.67 2.04 -0.68 -1.31 117.51 118.40 3fwg h ILE 208 Ca 0.14 -0.88 -0.01 0.00 1.00 0.00 0.00 64.86 65.11 3fwg h ILE 208 Cb 0.46 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 3fwg h ILE 208 CO 0.02 0.33 0.24 -0.08 0.00 0.00 0.00 178.15 178.65 3fwg h GLU 209 N 0.85 0.57 -0.69 2.37 4.57 -1.22 -1.24 114.58 119.79 3fwg h GLU 209 Ca 0.19 -0.06 0.07 0.00 -1.18 0.00 0.00 59.36 58.37 3fwg h GLU 209 Cb 0.33 -0.12 -0.06 0.00 -0.16 0.00 0.00 28.75 28.75 3fwg h GLU 209 CO -0.00 0.45 0.38 0.37 -1.18 0.00 0.00 179.01 179.03 3fwg h GLN 210 N 0.54 0.67 0.00 1.92 -0.00 -0.94 -2.06 115.11 115.23 3fwg h GLN 210 Ca 0.15 -0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.76 3fwg h GLN 210 Cb 0.03 -0.15 0.00 0.00 0.00 0.00 0.00 27.48 27.36 3fwg h GLN 210 CO -0.03 0.44 -0.39 0.54 0.00 0.00 0.00 178.83 179.39 3fwg n ARG 211 N -4.79 0.27 0.08 1.69 1.74 -0.52 -0.83 116.66 114.30 3fwg n ARG 211 Ca 0.09 0.13 -0.09 0.00 -0.77 0.00 0.00 57.85 57.21 3fwg n ARG 211 Cb 0.20 -1.72 -0.04 0.00 -1.02 0.00 0.00 32.46 29.88 3fwg n ARG 211 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3fwg h ARG 212 N 0.00 0.18 -0.10 5.56 3.08 -0.96 -2.86 114.38 119.28 3fwg h ARG 212 Ca 0.00 -0.22 -0.12 0.00 0.07 0.00 0.00 59.98 59.72 3fwg h ARG 212 Cb 0.73 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.86 3fwg h ARG 212 CO 0.00 0.99 -0.39 1.96 -1.07 0.00 0.00 179.97 181.46 3fwg h GLN 213 N 0.09 0.44 -2.92 0.04 1.08 -1.08 -3.40 115.11 109.36 3fwg h GLN 213 Ca -0.05 -0.34 -0.61 0.00 -1.45 0.00 0.00 58.65 56.19 3fwg h GLN 213 Cb 1.60 0.07 -0.41 0.00 -0.05 0.00 0.00 27.48 28.69 3fwg h GLN 213 CO 0.14 0.97 -0.69 0.15 -0.95 0.00 0.00 178.83 178.45 3fwg s LYS 214 N -3.72 1.92 0.32 1.46 1.02 -0.01 -5.11 119.74 115.62 3fwg s LYS 214 Ca -0.13 -2.84 -0.29 0.00 0.02 0.00 0.00 55.97 52.72 3fwg s LYS 214 Cb 0.05 -2.80 -0.11 0.00 -0.52 0.00 0.00 37.83 34.44 3fwg s LYS 214 CO 0.80 -1.28 1.54 -2.14 -0.92 0.00 0.00 175.35 173.34 3fwg s PRO 215 N -0.80 4.14 0.00 -1.68 0.02 -1.08 -4.52 135.00 131.08 3fwg s PRO 215 Ca 0.25 2.54 0.00 0.00 0.02 0.00 0.00 61.00 63.81 3fwg s PRO 215 Cb -0.06 -3.01 0.00 0.00 0.02 0.00 0.00 34.50 31.44 3fwg s PRO 215 CO -0.14 -0.57 0.00 0.41 -0.33 0.00 0.00 177.00 176.37 3fwg n GLY 216 N 1.57 6.00 0.00 0.52 0.00 -1.26 -5.07 105.19 106.94 3fwg n GLY 216 Ca 0.05 -1.85 0.09 0.00 0.00 0.00 0.00 46.02 44.31 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 0.00 0.00 -1.43 2.61 -2.24 -1.26 -4.65 114.28 107.31 3fwg n THR 217 Ca 0.00 -0.24 -0.30 0.00 -2.27 0.00 0.00 64.05 61.25 3fwg n THR 217 Cb 0.00 0.58 0.12 0.00 -2.10 0.00 0.00 70.33 68.93 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 -3.31 3.94 0.32 3.42 -4.77 -1.26 -4.81 116.67 110.20 3fwg s ASP 218 Ca 0.01 1.30 0.02 0.00 -3.30 0.00 0.00 52.55 50.57 3fwg s ASP 218 Cb 0.12 -1.99 0.54 0.00 -1.09 0.00 0.00 42.92 40.50 3fwg s ASP 218 CO 0.73 -2.32 1.88 0.00 0.70 0.00 0.00 175.17 176.17 3fwg h ALA 219 N -1.33 1.35 -0.45 2.11 0.00 -1.22 -1.67 119.26 118.04 3fwg h ALA 219 Ca -0.49 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.17 3fwg h ALA 219 Cb 1.29 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 3fwg h ALA 219 CO 0.58 0.47 -0.03 0.82 0.00 0.00 0.00 179.25 181.09 3fwg h ILE 220 N 0.68 1.27 -0.43 0.00 2.04 -1.83 -1.20 117.51 118.04 3fwg h ILE 220 Ca 0.16 -1.10 -0.05 0.00 1.00 0.00 0.00 64.86 64.87 3fwg h ILE 220 Cb 0.23 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 3fwg h ILE 220 CO -0.01 0.38 0.06 -1.28 0.00 0.00 0.00 178.15 177.30 3fwg h SER 221 N 0.66 0.62 -0.20 1.72 0.87 -1.77 0.63 113.55 116.07 3fwg h SER 221 Ca 0.12 -0.11 -0.07 0.00 -1.23 0.00 0.00 61.79 60.50 3fwg h SER 221 Cb 0.54 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 62.34 3fwg h SER 221 CO 0.03 0.65 -0.17 0.40 -0.53 0.00 0.00 176.83 177.21 3fwg h ILE 222 N 0.63 1.33 -0.09 2.23 1.08 -1.05 -2.21 117.51 119.43 3fwg h ILE 222 Ca 0.14 -1.31 -0.00 0.00 -0.39 0.00 0.00 64.86 63.30 3fwg h ILE 222 Cb 0.31 1.75 -0.00 0.00 -3.07 0.00 0.00 36.82 35.81 3fwg h ILE 222 CO 0.01 0.40 0.04 0.58 -0.69 0.00 0.00 178.15 178.48 3fwg h VAL 223 N 0.13 1.12 0.00 1.67 2.07 -1.09 -2.11 116.25 118.05 3fwg h VAL 223 Ca 0.03 -0.36 -0.04 0.00 0.82 0.00 0.00 66.70 67.15 3fwg h VAL 223 Cb 0.70 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 3fwg h VAL 223 CO 0.04 0.11 -0.20 0.00 0.02 0.00 0.00 177.57 177.54 3fwg h ALA 224 N 0.90 1.30 -0.55 1.67 0.00 -0.86 -1.93 119.26 119.80 3fwg h ALA 224 Ca 0.03 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3fwg h ALA 224 Cb 0.13 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3fwg h ALA 224 CO -0.00 0.25 0.00 0.09 0.00 0.00 0.00 179.25 179.58 3fwg n ASN 225 N -3.76 3.46 -4.55 0.00 3.02 -0.83 -4.85 115.26 107.75 3fwg n ASN 225 Ca -0.02 -2.00 -0.28 0.00 -0.03 0.00 0.00 54.58 52.25 3fwg n ASN 225 Cb 0.30 -0.37 0.13 0.00 -0.61 0.00 0.00 39.78 39.24 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 -1.00 1.70 0.11 7.41 0.00 -0.73 -4.91 107.32 109.91 3fwg s GLY 226 Ca 0.37 -1.01 0.10 0.00 0.00 0.00 0.00 44.72 44.18 3fwg s GLY 226 CO 0.25 -0.41 -0.26 1.20 0.00 0.00 0.00 173.10 173.88 3fwg s GLN 227 N -5.63 1.42 -0.13 2.90 -0.21 -1.26 -1.74 119.66 115.01 3fwg s GLN 227 Ca 0.67 -1.28 0.01 0.00 0.02 0.00 0.00 55.36 54.78 3fwg s GLN 227 Cb -0.07 -1.84 0.02 0.00 1.00 0.00 0.00 33.01 32.11 3fwg s GLN 227 CO 0.50 0.44 -0.14 0.14 -2.12 0.00 0.00 175.29 174.11 3fwg s VAL 228 N -1.03 1.50 -1.31 1.09 -7.23 0.13 -4.71 120.40 108.83 3fwg s VAL 228 Ca 0.13 -0.61 -0.02 0.00 -1.81 0.00 0.00 61.98 59.66 3fwg s VAL 228 Cb -0.10 -1.39 0.02 0.00 0.56 0.00 0.00 36.38 35.47 3fwg s VAL 228 CO 0.05 0.44 0.05 0.59 -0.31 0.00 0.00 175.10 175.93 3fwg n ASN 229 N 4.49 0.55 0.00 4.85 4.13 -1.26 -1.99 115.26 126.03 3fwg n ASN 229 Ca -0.18 -1.06 0.00 0.00 1.68 0.00 0.00 54.58 55.02 3fwg n ASN 229 Cb 0.51 -1.32 0.00 0.00 -1.54 0.00 0.00 39.78 37.43 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 -2.18 0.70 3.29 7.41 0.00 -1.26 -5.03 105.19 108.12 3fwg n GLY 230 Ca -0.23 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.21 1.17 0.34 1.61 1.04 -0.84 -5.09 118.95 116.97 3fwg s ARG 231 Ca 0.00 -1.35 -0.28 0.00 -1.04 0.00 0.00 55.73 53.06 3fwg s ARG 231 Cb 0.00 -1.13 -0.10 0.00 -2.04 0.00 0.00 34.95 31.68 3fwg s ARG 231 CO 0.00 0.22 1.31 -2.14 -0.04 0.00 0.00 175.30 174.65 3fwg s PRO 232 N -2.80 4.29 0.40 3.89 0.02 -1.26 -0.69 135.00 138.86 3fwg s PRO 232 Ca 0.13 2.21 -0.25 0.00 0.02 0.00 0.00 61.00 63.12 3fwg s PRO 232 Cb -0.05 -3.02 -0.08 0.00 0.02 0.00 0.00 34.50 31.37 3fwg s PRO 232 CO 0.05 -0.24 1.16 -1.50 -0.33 0.00 0.00 177.00 176.14 3fwg s ILE 233 N -1.16 3.17 0.56 2.83 2.07 -0.71 -4.78 121.20 123.17 3fwg s ILE 233 Ca 0.50 0.97 -0.08 0.00 -1.41 0.00 0.00 60.65 60.63 3fwg s ILE 233 Cb -0.40 -3.54 -0.04 0.00 0.13 0.00 0.00 42.46 38.62 3fwg s ILE 233 CO 0.53 0.08 0.92 0.42 -1.91 0.00 0.00 174.94 174.97 3fwg s THR 234 N -1.44 4.78 0.25 4.00 -4.23 -1.26 -4.92 115.64 112.83 3fwg s THR 234 Ca 0.58 0.55 -0.04 0.00 -1.18 0.00 0.00 61.69 61.60 3fwg s THR 234 Cb -0.30 -3.86 0.24 0.00 1.34 0.00 0.00 72.50 69.92 3fwg s THR 234 CO 0.38 -1.00 1.86 0.28 -0.54 0.00 0.00 174.62 175.60 3fwg h SER 235 N -0.07 0.93 -0.28 3.99 0.02 -1.96 -0.03 113.55 116.15 3fwg h SER 235 Ca -0.45 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.51 3fwg h SER 235 Cb 1.20 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.54 3fwg h SER 235 CO 0.62 0.59 0.15 -0.78 -1.14 0.00 0.00 176.83 176.27 3fwg h ASP 236 N 1.06 0.35 -0.61 3.07 3.58 -1.99 -1.36 116.42 120.52 3fwg h ASP 236 Ca 0.40 -0.09 -0.06 0.00 0.42 0.00 0.00 57.03 57.71 3fwg h ASP 236 Cb 0.18 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.12 3fwg h ASP 236 CO -0.18 0.33 0.13 -0.33 -2.88 0.00 0.00 179.24 176.32 3fwg h GLU 237 N 0.34 0.99 -0.44 0.28 5.08 -1.84 -1.61 114.58 117.37 3fwg h GLU 237 Ca 0.10 -0.25 0.02 0.00 -1.00 0.00 0.00 59.36 58.23 3fwg h GLU 237 Cb 0.06 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 3fwg h GLU 237 CO -0.02 0.91 0.26 0.00 -1.00 0.00 0.00 179.01 179.16 3fwg h ALA 238 N 1.03 0.56 -0.55 3.43 0.00 -0.85 -1.17 119.26 121.72 3fwg h ALA 238 Ca 0.19 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3fwg h ALA 238 Cb 0.38 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 3fwg h ALA 238 CO 0.01 -0.06 0.29 -0.22 0.00 0.00 0.00 179.25 179.26 3fwg h LYS 239 N 0.52 0.77 0.00 0.00 3.64 -1.00 0.10 116.57 120.61 3fwg h LYS 239 Ca 0.18 -0.10 -0.06 0.00 -1.27 0.00 0.00 60.65 59.40 3fwg h LYS 239 Cb 0.02 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.68 3fwg h LYS 239 CO -0.08 0.61 -0.28 0.00 -2.27 0.00 0.00 179.45 177.42 3fwg h ARG 240 N 0.74 0.00 0.01 1.90 3.08 -0.98 -1.14 114.38 117.98 3fwg h ARG 240 Ca 0.19 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.17 3fwg h ARG 240 Cb 0.07 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.12 3fwg h ARG 240 CO -0.03 0.28 -0.27 0.52 -1.07 0.00 0.00 179.97 179.40 3fwg h MET 241 N 0.00 0.17 -0.76 0.04 2.86 -0.76 -1.82 114.93 114.66 3fwg h MET 241 Ca -0.00 -0.19 -0.04 0.00 -2.06 0.00 0.00 59.70 57.41 3fwg h MET 241 Cb 0.54 0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.22 3fwg h MET 241 CO 0.04 0.95 0.33 0.00 1.06 0.00 0.00 176.91 179.28 3fwg h GLY 243 N 1.13 0.75 1.00 0.00 0.00 -1.35 -1.41 103.07 103.19 3fwg h GLY 243 Ca 0.26 -0.22 -0.03 0.00 0.00 0.00 0.00 47.33 47.33 3fwg h GLY 243 CO -0.03 0.17 0.25 -2.00 0.00 0.00 0.00 176.54 174.94 3fwg h LEU 244 N 0.60 0.83 -1.00 3.11 5.85 -1.52 -1.94 115.31 121.25 3fwg h LEU 244 Ca 0.22 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 3fwg h LEU 244 Cb 0.06 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.83 3fwg h LEU 244 CO -0.12 0.77 0.55 -0.07 -0.34 0.00 0.00 178.44 179.23 3fwg h LEU 245 N 0.84 1.10 -0.39 2.25 3.38 -0.97 -0.85 115.31 120.67 3fwg h LEU 245 Ca 0.20 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 3fwg h LEU 245 Cb 0.19 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 3fwg h LEU 245 CO -0.02 0.84 0.22 -0.07 0.09 0.00 0.00 178.44 179.50 3fwg h LEU 246 N 1.26 0.48 -0.33 1.67 3.38 -0.98 0.15 115.31 120.94 3fwg h LEU 246 Ca 0.33 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.20 3fwg h LEU 246 Cb -0.05 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 3fwg h LEU 246 CO -0.06 0.42 0.15 0.58 0.09 0.00 0.00 178.44 179.62 3fwg h VAL 247 N 0.50 1.17 -0.76 1.22 2.07 -0.98 -1.02 116.25 118.45 3fwg h VAL 247 Ca 0.14 -0.50 0.01 0.00 0.82 0.00 0.00 66.70 67.16 3fwg h VAL 247 Cb 0.05 0.89 -0.04 0.00 -1.52 0.00 0.00 31.29 30.67 3fwg h VAL 247 CO -0.02 0.18 0.50 1.23 0.02 0.00 0.00 177.57 179.48 3fwg h GLY 248 N 0.39 1.07 1.98 2.17 0.00 -0.97 -1.63 103.07 106.09 3fwg h GLY 248 Ca 0.11 -0.40 -0.10 0.00 0.00 0.00 0.00 47.33 46.94 3fwg h GLY 248 CO -0.01 0.39 -0.49 -1.33 0.00 0.00 0.00 176.54 175.10 3fwg h GLY 249 N 1.03 0.02 -0.16 4.60 0.00 -0.44 -3.27 103.07 104.85 3fwg h GLY 249 Ca 0.28 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.59 3fwg h GLY 249 CO -0.06 0.02 -0.85 1.04 0.00 0.00 0.00 176.54 176.69 3fwg n LEU 250 N -3.96 1.10 -1.49 3.11 4.32 -0.41 -4.47 117.00 115.19 3fwg n LEU 250 Ca -0.02 -0.54 0.01 0.00 -0.02 0.00 0.00 56.01 55.44 3fwg n LEU 250 Cb 0.51 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.31 3fwg n LEU 250 CO 0.41 0.25 0.15 -0.67 -1.22 0.00 0.00 177.39 176.31 3fwg n ASP 251 N -1.22 0.41 0.00 -1.43 2.03 -0.63 -4.81 116.55 110.90 3fwg n ASP 251 Ca 0.05 -2.01 0.00 0.00 0.52 0.00 0.00 54.79 53.35 3fwg n ASP 251 Cb 0.33 -0.12 0.00 0.00 -0.72 0.00 0.00 41.12 40.61 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 0.22 0.00 -0.10 5.18 -2.24 -1.23 -4.69 114.28 111.42 3fwg n THR 252 Ca -0.04 0.01 0.04 0.00 -2.27 0.00 0.00 64.05 61.79 3fwg n THR 252 Cb 0.99 -0.64 0.37 0.00 -2.10 0.00 0.00 70.33 68.96 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 1.09 -0.68 2.28 2.07 -1.89 -1.29 116.25 117.83 3fwg h VAL 253 Ca 0.00 -0.24 0.15 0.00 0.82 0.00 0.00 66.70 67.42 3fwg h VAL 253 Cb 0.00 0.32 -0.11 0.00 -1.52 0.00 0.00 31.29 29.99 3fwg h VAL 253 CO 0.00 0.13 0.08 0.58 0.02 0.00 0.00 177.57 178.38 3fwg h VAL 254 N 0.70 0.49 0.08 2.57 2.07 -1.88 0.32 116.25 120.62 3fwg h VAL 254 Ca 0.23 -0.06 -0.25 0.00 0.82 0.00 0.00 66.70 67.44 3fwg h VAL 254 Cb 0.05 0.29 0.02 0.00 -1.52 0.00 0.00 31.29 30.14 3fwg h VAL 254 CO -0.06 0.03 -1.04 0.78 0.02 0.00 0.00 177.57 177.31 3fwg h ASN 255 N 0.18 0.76 -0.73 0.57 2.35 -1.55 -3.34 115.58 113.83 3fwg h ASN 255 Ca 0.37 -0.82 -0.02 0.00 -0.55 0.00 0.00 56.30 55.28 3fwg h ASN 255 Cb 0.62 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 38.71 3fwg h ASN 255 CO -0.53 1.50 0.39 0.15 -1.65 0.00 0.00 177.43 177.29 3fwg h PHE 256 N 0.13 1.01 -0.93 1.19 3.57 -0.81 -2.44 116.94 118.65 3fwg h PHE 256 Ca -0.15 -0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.39 3fwg h PHE 256 Cb 1.73 -0.32 -0.06 0.00 2.79 0.00 0.00 35.95 40.09 3fwg h PHE 256 CO 0.13 0.71 0.61 -0.07 -2.23 0.00 0.00 178.31 177.46 3fwg h LEU 257 N 1.04 0.93 -0.60 0.59 3.38 -1.06 -2.03 115.31 117.56 3fwg h LEU 257 Ca 0.26 0.01 -0.13 0.00 0.09 0.00 0.00 57.88 58.11 3fwg h LEU 257 Cb 0.04 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3fwg h LEU 257 CO -0.04 0.59 -0.32 0.28 0.09 0.00 0.00 178.44 179.04 3fwg h SER 258 N 1.05 0.80 -0.51 -0.43 0.02 -1.57 -0.91 113.55 112.01 3fwg h SER 258 Ca 0.41 -0.33 -0.01 0.00 -0.84 0.00 0.00 61.79 61.02 3fwg h SER 258 Cb 0.22 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 3fwg h SER 258 CO -0.16 1.05 0.30 -0.26 -1.14 0.00 0.00 176.83 176.62 3fwg h PHE 259 N 0.65 0.69 -0.23 3.45 0.04 -1.28 -0.57 116.94 119.69 3fwg h PHE 259 Ca 0.07 -0.01 -0.14 0.00 2.80 0.00 0.00 57.97 60.69 3fwg h PHE 259 Cb 0.85 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 38.77 3fwg h PHE 259 CO 0.04 0.49 -0.44 0.66 -0.60 0.00 0.00 178.31 178.47 3fwg h SER 260 N 0.68 0.61 0.57 2.17 4.64 -1.20 -1.92 113.55 119.10 3fwg h SER 260 Ca 0.18 -0.28 -0.18 0.00 -0.47 0.00 0.00 61.79 61.03 3fwg h SER 260 Cb 0.02 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 61.92 3fwg h SER 260 CO -0.03 0.97 -0.81 0.24 -0.87 0.00 0.00 176.83 176.32 3fwg h MET 261 N 0.46 0.18 -0.14 4.77 2.86 -1.06 -1.75 114.93 120.25 3fwg h MET 261 Ca 0.03 -0.18 -0.00 0.00 -2.06 0.00 0.00 59.70 57.49 3fwg h MET 261 Cb 0.95 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.65 3fwg h MET 261 CO 0.08 0.89 0.07 1.49 1.06 0.00 0.00 176.91 180.51 3fwg h GLU 262 N 0.11 0.20 -0.24 1.72 4.81 -0.97 -0.24 114.58 119.96 3fwg h GLU 262 Ca -0.03 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.20 3fwg h GLU 262 Cb 1.41 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.73 3fwg h GLU 262 CO 0.12 0.22 0.09 0.35 -0.73 0.00 0.00 179.01 179.06 3fwg h PHE 263 N 0.12 0.16 -0.49 0.92 3.57 -1.30 -2.35 116.94 117.57 3fwg h PHE 263 Ca 0.05 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.51 3fwg h PHE 263 Cb 0.08 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.76 3fwg h PHE 263 CO -0.04 0.08 0.09 -0.07 -2.23 0.00 0.00 178.31 176.14 3fwg h LEU 264 N 0.20 0.71 -1.84 0.59 3.38 -1.13 -1.76 115.31 115.47 3fwg h LEU 264 Ca 0.10 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 3fwg h LEU 264 Cb 0.06 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 3fwg h LEU 264 CO -0.10 0.73 -0.12 0.00 0.09 0.00 0.00 178.44 179.04 3fwg h ALA 265 N 1.36 1.69 -0.02 1.53 0.00 -0.73 -2.39 119.26 120.70 3fwg h ALA 265 Ca 0.16 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3fwg h ALA 265 Cb 0.32 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3fwg h ALA 265 CO 0.00 0.15 -0.10 1.63 0.00 0.00 0.00 179.25 180.93 3fwg n LYS 266 N -4.23 1.76 -3.49 0.00 5.02 -0.72 -4.18 118.16 112.32 3fwg n LYS 266 Ca -0.03 -1.30 -0.28 0.00 -2.02 0.00 0.00 58.31 54.68 3fwg n LYS 266 Cb 0.19 -1.47 -0.11 0.00 -0.02 0.00 0.00 35.03 33.62 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 -2.13 2.40 0.33 4.39 0.15 -0.86 -4.98 113.70 113.00 3fwg s SER 267 Ca 0.29 -2.84 0.08 0.00 0.70 0.00 0.00 55.95 54.18 3fwg s SER 267 Cb 0.20 -0.60 0.77 0.00 -1.71 0.00 0.00 66.02 64.69 3fwg s SER 267 CO 0.38 -0.21 1.82 -0.65 1.20 0.00 0.00 173.24 175.78 3fwg h PRO 268 N 6.12 0.72 -0.60 5.44 0.11 -1.85 -1.73 132.00 140.21 3fwg h PRO 268 Ca 0.17 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.20 3fwg h PRO 268 Cb 0.91 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 31.83 3fwg h PRO 268 CO 0.38 0.48 0.21 0.93 -0.21 0.00 0.00 178.00 179.79 3fwg h GLU 269 N 0.74 0.89 -0.11 1.05 5.08 -1.93 0.12 114.58 120.41 3fwg h GLU 269 Ca 0.51 -0.15 -0.19 0.00 -1.00 0.00 0.00 59.36 58.54 3fwg h GLU 269 Cb 0.82 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.92 3fwg h GLU 269 CO -0.28 0.75 -0.70 0.45 -1.00 0.00 0.00 179.01 178.22 3fwg h HIS 270 N 0.87 0.67 -0.34 4.33 3.86 -1.70 -1.94 115.15 120.89 3fwg h HIS 270 Ca 0.20 -0.28 -0.00 0.00 -1.16 0.00 0.00 60.37 59.13 3fwg h HIS 270 Cb 0.21 -0.11 -0.02 0.00 1.06 0.00 0.00 27.41 28.56 3fwg h HIS 270 CO 0.01 1.05 0.21 0.00 0.86 0.00 0.00 177.93 180.06 3fwg h ARG 271 N 0.35 0.46 -0.54 2.45 3.08 -0.96 -2.78 114.38 116.44 3fwg h ARG 271 Ca -0.03 -0.04 0.05 0.00 0.07 0.00 0.00 59.98 60.04 3fwg h ARG 271 Cb 1.28 -0.10 -0.05 0.00 0.08 0.00 0.00 29.97 31.19 3fwg h ARG 271 CO 0.13 0.34 0.27 0.37 -1.07 0.00 0.00 179.97 180.00 3fwg h GLN 272 N 0.45 0.49 -0.57 0.04 4.15 -0.69 -1.10 115.11 117.88 3fwg h GLN 272 Ca 0.12 -0.03 0.09 0.00 0.77 0.00 0.00 58.65 59.61 3fwg h GLN 272 Cb -0.01 -0.11 -0.07 0.00 0.21 0.00 0.00 27.48 27.50 3fwg h GLN 272 CO -0.02 0.33 0.18 1.49 -1.93 0.00 0.00 178.83 178.87 3fwg h GLU 273 N 0.51 0.33 0.00 1.69 4.81 -1.21 0.50 114.58 121.22 3fwg h GLU 273 Ca 0.24 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.32 3fwg h GLU 273 Cb 0.17 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 3fwg h GLU 273 CO -0.18 0.22 -0.67 -0.07 -0.73 0.00 0.00 179.01 177.58 3fwg h LEU 274 N 0.34 0.00 -0.22 1.64 3.38 -1.17 -1.67 115.31 117.61 3fwg h LEU 274 Ca 0.29 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.14 3fwg h LEU 274 Cb 0.37 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 3fwg h LEU 274 CO -0.32 0.60 -0.34 0.40 0.09 0.00 0.00 178.44 178.87 3fwg h ILE 275 N 0.00 1.32 -0.32 1.22 2.04 -0.89 -2.80 117.51 118.08 3fwg h ILE 275 Ca -0.02 -1.55 -0.17 0.00 1.00 0.00 0.00 64.86 64.13 3fwg h ILE 275 Cb 1.48 1.79 -0.00 0.00 -0.74 0.00 0.00 36.82 39.34 3fwg h ILE 275 CO 0.08 0.48 -0.46 1.56 0.00 0.00 0.00 178.15 179.81 3fwg h GLN 276 N 0.31 0.85 -2.52 2.37 4.20 -0.90 -3.38 115.11 116.04 3fwg h GLN 276 Ca 0.02 -0.48 -0.60 0.00 0.06 0.00 0.00 58.65 57.65 3fwg h GLN 276 Cb 0.92 0.04 -0.39 0.00 0.30 0.00 0.00 27.48 28.34 3fwg h GLN 276 CO 0.08 1.12 -0.85 0.54 -0.67 0.00 0.00 178.83 179.05 3fwg n ARG 277 N -4.03 0.85 0.32 1.46 1.74 -0.63 -4.96 116.66 111.42 3fwg n ARG 277 Ca -0.03 -3.65 0.20 0.00 -0.77 0.00 0.00 57.85 53.60 3fwg n ARG 277 Cb 0.58 -1.83 1.07 0.00 -1.02 0.00 0.00 32.46 31.26 3fwg n ARG 277 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3fwg h PRO 278 N 5.29 0.00 0.00 5.56 0.13 -1.68 -0.71 132.00 140.59 3fwg h PRO 278 Ca 0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.34 3fwg h PRO 278 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 3fwg h PRO 278 CO 0.51 0.01 0.00 -0.85 -0.23 0.00 0.00 178.00 177.44 3fwg n GLU 279 N -3.36 0.08 0.00 0.86 0.00 -1.26 -1.79 120.64 115.17 3fwg n GLU 279 Ca -0.03 0.39 0.14 0.00 0.00 0.00 0.00 57.16 57.67 3fwg n GLU 279 Cb 0.10 -1.68 0.68 0.00 0.00 0.00 0.00 31.44 30.53 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 -1.84 0.60 -0.15 3.44 1.74 -0.27 -4.35 116.66 115.82 3fwg n ARG 280 Ca 0.02 -0.13 -0.05 0.00 -0.77 0.00 0.00 57.85 56.91 3fwg n ARG 280 Cb 0.15 -1.50 0.03 0.00 -1.02 0.00 0.00 32.46 30.13 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 0.33 0.99 -0.85 0.55 2.04 -1.54 0.13 117.51 119.15 3fwg h ILE 281 Ca 0.00 -0.17 0.06 0.00 1.00 0.00 0.00 64.86 65.75 3fwg h ILE 281 Cb 0.32 0.45 -0.06 0.00 -0.74 0.00 0.00 36.82 36.78 3fwg h ILE 281 CO 0.00 0.09 0.53 -0.65 0.00 0.00 0.00 178.15 178.12 3fwg h PRO 282 N 0.50 0.93 -0.65 2.37 0.11 -1.83 0.55 132.00 133.97 3fwg h PRO 282 Ca 0.20 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 66.19 3fwg h PRO 282 Cb 0.08 -0.21 -0.03 0.00 0.11 0.00 0.00 31.00 30.95 3fwg h PRO 282 CO -0.12 0.61 0.16 0.00 -0.21 0.00 0.00 178.00 178.44 3fwg h ALA 283 N 1.41 1.06 -0.63 -0.75 0.00 -1.69 -2.34 119.26 116.32 3fwg h ALA 283 Ca 0.38 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3fwg h ALA 283 Cb 0.19 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3fwg h ALA 283 CO -0.18 0.62 0.31 0.00 0.00 0.00 0.00 179.25 180.01 3fwg h ALA 284 N 1.20 0.81 -0.64 0.00 0.00 -0.15 -2.10 119.26 118.39 3fwg h ALA 284 Ca 0.21 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 55.05 3fwg h ALA 284 Cb 0.33 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 3fwg h ALA 284 CO -0.00 0.36 0.35 0.00 0.00 0.00 0.00 179.25 179.96 3fwg h GLU 286 N 0.65 0.95 -0.09 0.00 4.57 -1.07 0.12 114.58 119.71 3fwg h GLU 286 Ca 0.29 -0.19 -0.15 0.00 -1.18 0.00 0.00 59.36 58.13 3fwg h GLU 286 Cb 0.18 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.62 3fwg h GLU 286 CO -0.18 0.83 -0.59 1.49 -1.18 0.00 0.00 179.01 179.38 3fwg h GLU 287 N 0.89 0.31 -0.38 1.92 4.57 -0.99 -2.11 114.58 118.79 3fwg h GLU 287 Ca 0.21 -0.20 -0.12 0.00 -1.18 0.00 0.00 59.36 58.06 3fwg h GLU 287 Cb 0.25 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.85 3fwg h GLU 287 CO -0.01 0.80 -0.24 -0.07 -1.18 0.00 0.00 179.01 178.31 3fwg h LEU 288 N 0.23 0.78 -1.60 1.64 3.38 -0.62 -1.45 115.31 117.67 3fwg h LEU 288 Ca -0.00 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.65 3fwg h LEU 288 Cb 1.09 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 3fwg h LEU 288 CO 0.09 0.99 -0.08 -0.07 0.09 0.00 0.00 178.44 179.47 3fwg h LEU 289 N 0.66 0.14 0.18 1.67 3.38 -0.46 0.73 115.31 121.61 3fwg h LEU 289 Ca 0.09 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3fwg h LEU 289 Cb 0.76 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.47 3fwg h LEU 289 CO 0.06 0.25 -0.09 -0.09 0.09 0.00 0.00 178.44 178.66 3fwg h ARG 290 N 0.15 -0.23 -0.16 1.13 2.43 -1.20 -2.78 114.38 113.72 3fwg h ARG 290 Ca 0.03 0.02 -0.12 0.00 -0.81 0.00 0.00 59.98 59.10 3fwg h ARG 290 Cb 0.25 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 3fwg h ARG 290 CO 0.01 0.17 -0.44 -0.09 -1.51 0.00 0.00 179.97 178.11 3fwg h ARG 291 N -0.88 0.37 -0.33 0.20 9.65 -1.11 -3.15 114.38 119.14 3fwg h ARG 291 Ca -0.02 -0.20 -0.17 0.00 -1.10 0.00 0.00 59.98 58.49 3fwg h ARG 291 Cb 0.51 0.01 -0.11 0.00 -1.39 0.00 0.00 29.97 28.99 3fwg h ARG 291 CO 0.04 0.75 -0.14 1.19 2.80 0.00 0.00 179.97 184.61 3fwg n PHE 292 N -4.00 1.02 -1.52 2.20 3.72 0.23 -4.95 117.46 114.16 3fwg n PHE 292 Ca -0.02 -1.63 -0.40 0.00 -0.05 0.00 0.00 57.45 55.35 3fwg n PHE 292 Cb 0.52 -0.47 0.03 0.00 -0.94 0.00 0.00 39.48 38.61 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 -1.12 -0.18 0.00 4.37 2.88 -1.05 -4.92 113.62 113.60 3fwg n SER 293 Ca 0.32 0.85 0.00 0.00 -1.33 0.00 0.00 58.87 58.72 3fwg n SER 293 Cb 0.99 -1.24 0.00 0.00 -0.75 0.00 0.00 64.21 63.22 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 0.47 0.00 -4.70 2.46 -0.00 -1.26 -4.83 117.00 109.14 3fwg n LEU 294 Ca 0.11 -0.01 -0.34 0.00 -0.00 0.00 0.00 56.01 55.77 3fwg n LEU 294 Cb 0.44 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 -0.30 -0.69 -0.00 0.00 0.00 177.39 177.00 3fwg s VAL 295 N 0.00 4.34 -0.28 1.47 1.01 -1.26 -0.79 120.40 124.88 3fwg s VAL 295 Ca 0.00 -0.38 -0.01 0.00 0.00 0.00 0.00 61.98 61.59 3fwg s VAL 295 Cb 0.00 -2.88 0.13 0.00 0.00 0.00 0.00 36.38 33.63 3fwg s VAL 295 CO 0.00 0.49 0.28 0.00 0.00 0.00 0.00 175.10 175.88 3fwg s ALA 296 N -1.00 -0.42 0.00 5.51 0.00 0.12 -1.39 121.76 124.59 3fwg s ALA 296 Ca 0.17 -0.25 0.00 0.00 0.00 0.00 0.00 51.96 51.88 3fwg s ALA 296 Cb -0.11 -1.73 0.00 0.00 0.00 0.00 0.00 23.12 21.28 3fwg s ALA 296 CO 0.07 -1.64 0.00 -0.40 0.00 0.00 0.00 175.76 173.78 3fwg n ASP 297 N 5.31 1.71 0.00 0.00 5.75 -1.26 -4.50 116.55 123.56 3fwg n ASP 297 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.75 3fwg n ASP 297 Cb 0.47 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.56 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 4.39 2.33 3.25 6.12 0.00 -0.16 -1.24 105.19 119.88 3fwg n GLY 298 Ca 0.00 -0.60 -0.12 0.00 0.00 0.00 0.00 46.02 45.29 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 1.31 1.29 0.02 1.61 1.81 -0.25 -4.36 118.95 120.38 3fwg s ARG 299 Ca 0.00 -1.62 0.09 0.00 -1.72 0.00 0.00 55.73 52.48 3fwg s ARG 299 Cb 0.00 0.30 -0.03 0.00 -0.45 0.00 0.00 34.95 34.77 3fwg s ARG 299 CO 0.00 -0.44 -0.25 -1.50 -0.68 0.00 0.00 175.30 172.42 3fwg s ILE 300 N -4.08 2.04 -0.01 1.52 2.07 0.06 -1.11 121.20 121.70 3fwg s ILE 300 Ca 0.37 -1.27 -0.30 0.00 -1.41 0.00 0.00 60.65 58.04 3fwg s ILE 300 Cb 0.06 -1.73 -0.05 0.00 0.13 0.00 0.00 42.46 40.87 3fwg s ILE 300 CO 0.13 0.41 1.27 -0.76 -1.91 0.00 0.00 174.94 174.08 3fwg s LEU 301 N -1.02 4.31 0.24 8.50 2.01 -0.06 -0.60 118.68 132.06 3fwg s LEU 301 Ca 0.11 1.96 0.13 0.00 0.01 0.00 0.00 54.13 56.34 3fwg s LEU 301 Cb -0.10 -3.56 0.00 0.00 0.01 0.00 0.00 46.19 42.54 3fwg s LEU 301 CO 0.01 -0.60 1.39 0.71 1.01 0.00 0.00 176.35 178.87 3fwg h THR 302 N 4.85 1.03 -3.23 5.49 1.35 -1.58 -0.26 112.91 120.57 3fwg h THR 302 Ca -0.37 -2.47 -0.00 0.00 -0.55 0.00 0.00 66.41 63.02 3fwg h THR 302 Cb 1.18 2.50 -0.09 0.00 -1.73 0.00 0.00 68.15 70.01 3fwg h THR 302 CO 0.87 0.59 0.09 -0.94 -0.25 0.00 0.00 175.52 175.88 3fwg s SER 303 N -6.50 -0.28 0.24 5.36 1.04 -1.26 -4.81 113.70 107.49 3fwg s SER 303 Ca 0.03 -0.50 -0.31 0.00 0.48 0.00 0.00 55.95 55.64 3fwg s SER 303 Cb 0.08 0.62 -0.13 0.00 0.10 0.00 0.00 66.02 66.69 3fwg s SER 303 CO 0.76 -1.13 1.47 0.47 0.98 0.00 0.00 173.24 175.79 3fwg n ASP 304 N -0.38 3.00 -3.68 7.02 8.00 -1.26 -3.83 116.55 125.41 3fwg n ASP 304 Ca -0.08 1.13 -0.10 0.00 0.71 0.00 0.00 54.79 56.45 3fwg n ASP 304 Cb 0.62 -1.46 -0.10 0.00 -0.02 0.00 0.00 41.12 40.17 3fwg n ASP 304 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3fwg s TYR 305 N 0.10 -0.72 -0.28 1.24 5.04 -0.14 -4.91 117.35 117.67 3fwg s TYR 305 Ca 0.69 1.53 -0.21 0.00 -2.44 0.00 0.00 57.07 56.64 3fwg s TYR 305 Cb -0.63 0.36 -0.01 0.00 0.35 0.00 0.00 41.96 42.03 3fwg s TYR 305 CO 0.48 -0.39 0.67 -2.00 -1.34 0.00 0.00 175.55 172.97 3fwg s GLU 306 N 1.35 4.01 -0.18 4.97 2.12 -1.26 -0.66 118.70 129.05 3fwg s GLU 306 Ca -0.09 0.49 0.00 0.00 0.36 0.00 0.00 54.97 55.74 3fwg s GLU 306 Cb -0.07 -3.69 0.04 0.00 0.26 0.00 0.00 34.13 30.67 3fwg s GLU 306 CO -0.13 -0.52 -0.11 0.12 -0.54 0.00 0.00 175.26 174.08 3fwg s PHE 307 N 2.64 2.23 -1.50 5.30 5.36 -0.04 -4.78 117.98 127.18 3fwg s PHE 307 Ca 0.27 -1.39 -0.05 0.00 -0.96 0.00 0.00 56.93 54.80 3fwg s PHE 307 Cb -0.15 -1.58 0.04 0.00 -0.34 0.00 0.00 43.02 41.00 3fwg s PHE 307 CO 0.10 -0.70 0.48 0.72 -1.46 0.00 0.00 175.22 174.36 3fwg n HIS 308 N 4.74 -1.65 -0.77 10.12 8.25 -1.26 -0.89 115.22 133.77 3fwg n HIS 308 Ca -0.15 0.75 0.00 0.00 -0.26 0.00 0.00 57.72 58.06 3fwg n HIS 308 Cb 0.48 -3.47 0.00 0.00 1.12 0.00 0.00 29.99 28.12 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 -1.89 1.11 3.49 -1.41 0.00 -1.26 -5.01 105.19 100.22 3fwg n GLY 309 Ca -0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 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 -3.63 3.74 -0.54 1.61 1.01 -0.07 -5.07 120.40 117.45 3fwg s VAL 310 Ca 0.00 -0.42 -0.26 0.00 0.00 0.00 0.00 61.98 61.30 3fwg s VAL 310 Cb 0.00 -2.61 0.03 0.00 0.00 0.00 0.00 36.38 33.80 3fwg s VAL 310 CO 0.00 0.51 1.04 -1.10 0.00 0.00 0.00 175.10 175.56 3fwg s GLN 311 N 0.19 3.47 -0.04 2.72 -1.52 -1.26 -0.86 119.66 122.35 3fwg s GLN 311 Ca -0.03 0.08 -0.08 0.00 -1.95 0.00 0.00 55.36 53.38 3fwg s GLN 311 Cb -0.14 -4.00 -0.05 0.00 -0.22 0.00 0.00 33.01 28.60 3fwg s GLN 311 CO 0.03 -1.49 0.23 -0.51 -0.25 0.00 0.00 175.29 173.30 3fwg s LEU 312 N 4.31 4.39 -0.10 2.90 1.43 0.17 -4.87 118.68 126.91 3fwg s LEU 312 Ca 0.38 0.56 -0.03 0.00 -1.03 0.00 0.00 54.13 54.02 3fwg s LEU 312 Cb -0.10 -2.42 -0.03 0.00 0.03 0.00 0.00 46.19 43.67 3fwg s LEU 312 CO 0.24 0.32 0.01 -0.75 0.23 0.00 0.00 176.35 176.40 3fwg s LYS 313 N -1.40 3.12 0.03 1.70 2.20 -1.26 -0.97 119.74 123.17 3fwg s LYS 313 Ca 0.22 -0.40 -0.37 0.00 -0.36 0.00 0.00 55.97 55.06 3fwg s LYS 313 Cb -0.13 -2.85 -0.16 0.00 -1.51 0.00 0.00 37.83 33.18 3fwg s LYS 313 CO 0.11 0.64 1.41 1.17 -0.36 0.00 0.00 175.35 178.32 3fwg n LYS 314 N 2.33 1.17 0.00 4.03 4.81 -1.25 -0.54 118.16 128.72 3fwg n LYS 314 Ca -0.18 0.42 0.00 0.00 -0.87 0.00 0.00 58.31 57.68 3fwg n LYS 314 Cb 0.53 -2.08 0.00 0.00 0.02 0.00 0.00 35.03 33.51 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 2.79 1.41 3.76 3.14 0.00 -0.11 -4.93 105.19 111.24 3fwg n GLY 315 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.13 6.63 0.15 1.61 1.01 0.30 -4.69 116.67 119.55 3fwg s ASP 316 Ca 0.00 2.74 -0.17 0.00 0.71 0.00 0.00 52.55 55.84 3fwg s ASP 316 Cb 0.00 -2.64 -0.07 0.00 1.01 0.00 0.00 42.92 41.22 3fwg s ASP 316 CO 0.00 -0.68 0.59 -1.10 0.21 0.00 0.00 175.17 174.19 3fwg s GLN 317 N -1.11 4.09 -0.12 8.23 -0.21 -1.26 -0.89 119.66 128.39 3fwg s GLN 317 Ca 0.55 0.63 -0.02 0.00 0.02 0.00 0.00 55.36 56.54 3fwg s GLN 317 Cb -0.42 -2.98 0.04 0.00 1.00 0.00 0.00 33.01 30.65 3fwg s GLN 317 CO 0.50 0.49 -0.00 -1.50 -2.12 0.00 0.00 175.29 172.66 3fwg s ILE 318 N -1.41 0.54 0.02 1.08 2.07 -0.27 -1.06 121.20 122.17 3fwg s ILE 318 Ca 0.37 -0.16 -0.30 0.00 -1.41 0.00 0.00 60.65 59.15 3fwg s ILE 318 Cb -0.16 -0.77 -0.04 0.00 0.13 0.00 0.00 42.46 41.61 3fwg s ILE 318 CO 0.20 0.14 1.08 -0.22 -1.91 0.00 0.00 174.94 174.22 3fwg s LEU 319 N 1.89 4.36 -0.60 8.50 2.96 0.44 -1.09 118.68 135.14 3fwg s LEU 319 Ca 0.03 1.81 0.05 0.00 -0.22 0.00 0.00 54.13 55.80 3fwg s LEU 319 Cb -0.14 -3.57 0.18 0.00 0.50 0.00 0.00 46.19 43.16 3fwg s LEU 319 CO -0.06 -0.36 0.49 0.18 -1.32 0.00 0.00 176.35 175.27 3fwg n LEU 320 N 3.98 2.03 -4.59 -0.68 4.77 -0.37 -1.80 117.00 120.33 3fwg n LEU 320 Ca 0.07 -4.99 -0.42 0.00 -0.03 0.00 0.00 56.01 50.64 3fwg n LEU 320 Cb 0.49 -0.33 -0.03 0.00 -2.33 0.00 0.00 43.42 41.22 3fwg n LEU 320 CO 0.54 1.84 1.74 -2.84 -1.33 0.00 0.00 177.39 177.34 3fwg s PRO 321 N -1.17 3.10 0.39 3.23 0.02 -1.26 -4.39 135.00 134.91 3fwg s PRO 321 Ca 0.29 1.71 0.12 0.00 0.02 0.00 0.00 61.00 63.15 3fwg s PRO 321 Cb 0.01 -4.33 0.92 0.00 0.02 0.00 0.00 34.50 31.13 3fwg s PRO 321 CO -0.16 -2.14 1.89 1.96 -0.33 0.00 0.00 177.00 178.22 3fwg h GLN 322 N 14.67 0.55 -0.92 5.54 7.50 -1.77 -0.24 115.11 140.45 3fwg h GLN 322 Ca -0.36 -0.03 0.19 0.00 0.50 0.00 0.00 58.65 58.94 3fwg h GLN 322 Cb 1.21 -0.12 -0.07 0.00 0.05 0.00 0.00 27.48 28.54 3fwg h GLN 322 CO 1.01 0.37 0.60 1.98 -1.50 0.00 0.00 178.83 181.28 3fwg h MET 323 N 0.57 0.52 0.00 1.46 4.05 -1.50 -3.20 114.93 116.83 3fwg h MET 323 Ca 0.41 -0.03 -0.16 0.00 -0.28 0.00 0.00 59.70 59.64 3fwg h MET 323 Cb 0.78 -0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 31.44 3fwg h MET 323 CO -0.17 0.34 -0.76 -0.07 0.23 0.00 0.00 176.91 176.49 3fwg h LEU 324 N 0.53 0.00 -0.39 3.39 3.38 -1.33 -3.35 115.31 117.54 3fwg h LEU 324 Ca 0.49 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.50 3fwg h LEU 324 Cb 1.03 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.73 3fwg h LEU 324 CO -0.22 0.76 0.13 0.28 0.09 0.00 0.00 178.44 179.47 3fwg h SER 325 N 0.00 0.12 1.41 -0.43 0.02 -1.65 -2.27 113.55 110.76 3fwg h SER 325 Ca -0.01 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 3fwg h SER 325 Cb 1.51 0.04 0.00 0.00 0.14 0.00 0.00 62.40 64.08 3fwg h SER 325 CO 0.10 0.11 0.00 1.23 -1.14 0.00 0.00 176.83 177.12 3fwg h GLY 326 N 0.28 0.00 0.46 -3.77 0.00 -1.72 -2.93 103.07 95.38 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 -0.19 0.00 -0.31 1.04 0.00 0.00 0.00 176.54 177.08 3fwg n LEU 327 N -2.34 0.87 -4.65 3.11 4.77 -0.91 -4.66 117.00 113.19 3fwg n LEU 327 Ca 0.05 -0.18 -0.43 0.00 -0.03 0.00 0.00 56.01 55.42 3fwg n LEU 327 Cb 0.41 -0.16 -0.03 0.00 -2.33 0.00 0.00 43.42 41.32 3fwg n LEU 327 CO 0.29 0.17 1.30 -0.62 -1.33 0.00 0.00 177.39 177.20 3fwg s ASP 328 N -2.63 6.67 0.57 -1.43 -1.08 -0.90 -4.72 116.67 113.15 3fwg s ASP 328 Ca 0.21 1.96 0.26 0.00 -0.52 0.00 0.00 52.55 54.46 3fwg s ASP 328 Cb 0.19 -2.53 1.59 0.00 -1.46 0.00 0.00 42.92 40.71 3fwg s ASP 328 CO 0.56 -0.96 2.16 -0.08 0.52 0.00 0.00 175.17 177.37 3fwg h GLU 329 N 9.46 0.00 0.00 4.34 4.81 -1.90 0.14 114.58 131.43 3fwg h GLU 329 Ca -0.35 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 58.84 3fwg h GLU 329 Cb 1.15 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.53 3fwg h GLU 329 CO 0.97 0.00 -0.23 0.00 -0.73 0.00 0.00 179.01 179.02 3fwg h ARG 330 N 0.00 0.00 0.09 1.92 3.08 -1.95 -3.24 114.38 114.28 3fwg h ARG 330 Ca 0.05 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.74 3fwg h ARG 330 Cb 0.25 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.27 3fwg h ARG 330 CO -0.00 0.23 -2.04 0.39 -1.07 0.00 0.00 179.97 177.48 3fwg n GLU 331 N -3.42 0.73 -3.66 0.04 1.02 0.33 -4.93 120.64 110.74 3fwg n GLU 331 Ca -0.00 0.24 -0.20 0.00 -0.02 0.00 0.00 57.16 57.18 3fwg n GLU 331 Cb 0.42 -1.69 -0.18 0.00 -0.02 0.00 0.00 31.44 29.97 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 -6.81 1.21 0.36 1.62 0.01 -0.31 -4.73 114.94 106.29 3fwg s ASN 332 Ca -0.22 0.04 -0.28 0.00 -0.71 0.00 0.00 52.86 51.70 3fwg s ASN 332 Cb 0.07 -0.11 -0.10 0.00 0.41 0.00 0.00 41.25 41.52 3fwg s ASN 332 CO 0.75 -0.26 1.39 0.00 -1.51 0.00 0.00 177.10 177.48 3fwg s ALA 333 N 2.18 3.50 -1.03 0.60 0.00 -1.25 -3.06 121.76 122.70 3fwg s ALA 333 Ca 0.05 1.41 -0.17 0.00 0.00 0.00 0.00 51.96 53.24 3fwg s ALA 333 Cb -0.12 -3.54 0.01 0.00 0.00 0.00 0.00 23.12 19.46 3fwg s ALA 333 CO -0.04 -0.86 0.71 0.00 0.00 0.00 0.00 175.76 175.56 3fwg h PRO 335 N -1.43 0.00 0.00 0.00 0.13 -1.82 -1.56 132.00 127.32 3fwg h PRO 335 Ca -0.60 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.53 3fwg h PRO 335 Cb 1.35 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.48 3fwg h PRO 335 CO 0.44 0.19 -0.02 -1.33 -0.23 0.00 0.00 178.00 177.05 3fwg n MET 336 N -3.74 0.10 -2.80 0.86 2.81 -1.26 -4.77 117.12 108.31 3fwg n MET 336 Ca -0.02 0.08 -0.41 0.00 -1.81 0.00 0.00 57.70 55.54 3fwg n MET 336 Cb 0.30 -1.61 -0.03 0.00 -0.71 0.00 0.00 33.22 31.17 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 -3.04 3.64 -0.29 2.03 5.04 -0.59 -5.04 115.29 117.05 3fwg s HIS 337 Ca 0.13 1.58 -0.22 0.00 -1.54 0.00 0.00 55.06 55.01 3fwg s HIS 337 Cb 0.17 -3.03 -0.01 0.00 0.04 0.00 0.00 32.58 29.75 3fwg s HIS 337 CO 0.56 0.02 0.70 0.08 -2.34 0.00 0.00 174.74 173.76 3fwg s VAL 338 N 0.94 4.89 -0.24 0.89 1.01 -1.26 -5.02 120.40 121.61 3fwg s VAL 338 Ca 0.48 1.08 -0.01 0.00 0.00 0.00 0.00 61.98 63.53 3fwg s VAL 338 Cb -0.20 -4.05 0.07 0.00 0.00 0.00 0.00 36.38 32.20 3fwg s VAL 338 CO 0.25 -0.14 0.02 -0.62 0.00 0.00 0.00 175.10 174.62 3fwg s ASP 339 N 1.57 3.52 0.30 3.32 2.15 -1.26 -5.00 116.67 121.28 3fwg s ASP 339 Ca 0.29 -1.16 0.24 0.00 0.43 0.00 0.00 52.55 52.35 3fwg s ASP 339 Cb -0.15 -0.87 1.09 0.00 -0.30 0.00 0.00 42.92 42.69 3fwg s ASP 339 CO 0.11 -0.31 1.73 -0.26 -0.17 0.00 0.00 175.17 176.26 3fwg h PHE 340 N 8.10 0.00 -0.33 -5.34 0.04 -1.95 -1.69 116.94 115.77 3fwg h PHE 340 Ca -0.16 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.61 3fwg h PHE 340 Cb 1.08 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.23 3fwg h PHE 340 CO 0.37 0.00 0.00 0.43 -0.60 0.00 0.00 178.31 178.51 3fwg n SER 341 N -2.31 3.38 -4.66 2.17 7.64 -1.26 -4.62 113.62 113.96 3fwg n SER 341 Ca 0.01 -1.99 -0.59 0.00 1.01 0.00 0.00 58.87 57.30 3fwg n SER 341 Cb 0.18 -0.21 -0.08 0.00 -1.01 0.00 0.00 64.21 63.09 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 1.46 0.69 -0.06 1.43 0.63 -0.64 -4.86 116.66 115.31 3fwg n ARG 342 Ca 0.19 0.25 -0.12 0.00 -0.92 0.00 0.00 57.85 57.24 3fwg n ARG 342 Cb 0.61 -1.85 -0.06 0.00 0.45 0.00 0.00 32.46 31.60 3fwg n ARG 342 CO 0.00 0.00 0.00 1.96 -2.51 0.00 0.00 177.63 177.08 3fwg h GLN 343 N 5.44 0.35 -3.78 -0.14 7.50 -1.94 -3.38 115.11 119.16 3fwg h GLN 343 Ca -0.47 -0.15 -0.63 0.00 0.50 0.00 0.00 58.65 57.90 3fwg h GLN 343 Cb 1.35 -0.01 -0.40 0.00 0.05 0.00 0.00 27.48 28.47 3fwg h GLN 343 CO 0.88 0.66 -0.71 0.15 -1.50 0.00 0.00 178.83 178.31 3fwg s LYS 344 N -4.59 1.43 -0.90 1.46 3.01 -1.26 -5.06 119.74 113.82 3fwg s LYS 344 Ca -0.14 -1.95 -0.24 0.00 -1.01 0.00 0.00 55.97 52.62 3fwg s LYS 344 Cb 0.06 -2.83 0.05 0.00 -1.01 0.00 0.00 37.83 34.10 3fwg s LYS 344 CO 0.74 -1.04 1.36 0.08 0.51 0.00 0.00 175.35 177.00 3fwg s VAL 345 N 0.60 3.89 -0.13 3.17 1.01 -1.26 -4.94 120.40 122.74 3fwg s VAL 345 Ca 0.14 -0.35 -0.17 0.00 0.00 0.00 0.00 61.98 61.59 3fwg s VAL 345 Cb -0.22 -4.99 -0.04 0.00 0.00 0.00 0.00 36.38 31.14 3fwg s VAL 345 CO -0.07 -1.88 0.45 -0.55 0.00 0.00 0.00 175.10 173.05 3fwg s SER 346 N 4.43 6.63 0.11 3.32 0.15 -1.26 -5.04 113.70 122.03 3fwg s SER 346 Ca 0.41 0.75 -0.26 0.00 0.70 0.00 0.00 55.95 57.55 3fwg s SER 346 Cb -0.04 -2.27 0.07 0.00 -1.71 0.00 0.00 66.02 62.08 3fwg s SER 346 CO -0.00 -0.00 0.87 -1.38 1.20 0.00 0.00 173.24 173.93 3fwg s HIS 347 N 0.70 -0.26 -0.28 3.44 -3.43 -1.26 -4.17 115.29 110.03 3fwg s HIS 347 Ca 0.24 0.01 0.13 0.00 -0.80 0.00 0.00 55.06 54.64 3fwg s HIS 347 Cb -0.15 0.60 0.48 0.00 -1.43 0.00 0.00 32.58 32.08 3fwg s HIS 347 CO 0.09 -0.77 1.16 0.25 -2.00 0.00 0.00 174.74 173.46 3fwg n THR 348 N -0.38 2.03 -0.13 -5.38 -2.24 -1.26 -4.90 114.28 102.01 3fwg n THR 348 Ca -0.08 -3.72 0.01 0.00 -2.27 0.00 0.00 64.05 57.98 3fwg n THR 348 Cb 0.61 -0.18 0.28 0.00 -2.10 0.00 0.00 70.33 68.94 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 3.51 1.18 -0.55 4.28 2.02 -1.87 -0.57 112.91 120.90 3fwg h THR 349 Ca 0.17 -0.44 0.00 0.00 0.77 0.00 0.00 66.41 66.91 3fwg h THR 349 Cb 1.42 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 68.19 3fwg h THR 349 CO 0.54 0.20 0.00 0.49 0.37 0.00 0.00 175.52 177.11 3fwg n PHE 350 N -4.39 1.77 -1.02 3.16 3.72 -1.26 -4.78 117.46 114.65 3fwg n PHE 350 Ca 0.06 -0.63 0.00 0.00 -0.05 0.00 0.00 57.45 56.82 3fwg n PHE 350 Cb 0.09 -0.41 0.00 0.00 -0.94 0.00 0.00 39.48 38.22 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 0.73 -1.78 3.56 1.37 0.00 -0.22 -0.52 105.19 108.32 3fwg n GLY 351 Ca 0.25 -1.89 -0.16 0.00 0.00 0.00 0.00 46.02 44.22 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 -0.64 0.00 1.61 2.46 -1.26 -4.69 115.29 112.77 3fwg s HIS 352 Ca 0.00 1.24 0.00 0.00 0.47 0.00 0.00 55.06 56.77 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 -0.50 0.00 0.41 -2.47 0.00 0.00 174.74 172.18 3fwg n GLY 353 N 1.35 -0.66 0.07 1.59 0.00 -1.26 -4.24 105.19 102.04 3fwg n GLY 353 Ca -0.16 -1.34 0.11 0.00 0.00 0.00 0.00 46.02 44.62 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 0.56 0.40 -1.84 1.61 3.41 -1.26 -3.02 113.62 113.46 3fwg n SER 354 Ca 0.00 0.58 0.08 0.00 -0.26 0.00 0.00 58.87 59.26 3fwg n SER 354 Cb 0.00 -0.67 0.40 0.00 -0.26 0.00 0.00 64.21 63.68 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 -1.92 1.97 -1.56 7.33 -0.00 -1.26 -5.01 115.22 114.78 3fwg n HIS 355 Ca 0.04 -0.70 -0.50 0.00 -0.00 0.00 0.00 57.72 56.55 3fwg n HIS 355 Cb 0.26 -0.46 -0.05 0.00 -0.00 0.00 0.00 29.99 29.74 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 0.76 1.15 -4.61 2.41 4.77 -1.17 -4.71 117.00 115.60 3fwg n LEU 356 Ca 0.28 1.14 -0.57 0.00 -0.03 0.00 0.00 56.01 56.83 3fwg n LEU 356 Cb 1.14 -1.16 -0.07 0.00 -2.33 0.00 0.00 43.42 41.00 3fwg n LEU 356 CO 0.31 -1.47 0.92 0.00 -1.33 0.00 0.00 177.39 175.82 3fwg h LEU 358 N 4.70 0.00 -1.42 0.00 3.38 -1.91 -3.32 115.31 116.74 3fwg h LEU 358 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 3fwg h LEU 358 Cb 1.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.11 3fwg h LEU 358 CO 0.80 0.03 0.00 0.61 0.09 0.00 0.00 178.44 179.97 3fwg n GLY 359 N 1.13 0.65 0.27 0.83 0.00 -1.26 -4.46 105.19 102.35 3fwg n GLY 359 Ca 0.03 -0.51 0.05 0.00 0.00 0.00 0.00 46.02 45.60 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 2.85 0.24 -0.19 1.61 3.07 -1.89 -0.27 115.11 120.53 3fwg h GLN 360 Ca 0.00 -0.03 -0.19 0.00 0.09 0.00 0.00 58.65 58.53 3fwg h GLN 360 Cb 0.62 -0.05 -0.00 0.00 0.08 0.00 0.00 27.48 28.14 3fwg h GLN 360 CO 0.00 0.22 -0.63 0.45 0.09 0.00 0.00 178.83 178.96 3fwg h HIS 361 N 0.24 0.87 -0.28 0.06 3.86 -1.87 0.55 115.15 118.58 3fwg h HIS 361 Ca 0.06 -0.34 -0.02 0.00 -1.16 0.00 0.00 60.37 58.91 3fwg h HIS 361 Cb 0.09 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.40 3fwg h HIS 361 CO 0.00 1.13 0.11 1.25 0.86 0.00 0.00 177.93 181.28 3fwg h LEU 362 N 0.49 0.39 -0.07 2.43 5.85 -1.61 -2.39 115.31 120.41 3fwg h LEU 362 Ca -0.01 -0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.55 3fwg h LEU 362 Cb 1.22 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.14 3fwg h LEU 362 CO 0.13 0.45 0.01 0.00 -0.34 0.00 0.00 178.44 178.69 3fwg h ALA 363 N 0.95 0.06 -0.71 1.25 0.00 -0.91 -1.01 119.26 118.89 3fwg h ALA 363 Ca 0.09 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3fwg h ALA 363 Cb 0.19 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3fwg h ALA 363 CO -0.01 -0.47 0.45 0.00 0.00 0.00 0.00 179.25 179.23 3fwg h ARG 364 N 0.03 0.94 -0.49 0.00 3.08 -0.90 -0.57 114.38 116.47 3fwg h ARG 364 Ca 0.03 -0.07 0.02 0.00 0.07 0.00 0.00 59.98 60.03 3fwg h ARG 364 Cb 0.03 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 29.84 3fwg h ARG 364 CO -0.05 0.64 0.30 1.25 -1.07 0.00 0.00 179.97 181.05 3fwg h LEU 365 N 0.96 0.51 -0.86 3.04 5.85 -1.15 0.80 115.31 124.45 3fwg h LEU 365 Ca 0.26 -0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.92 3fwg h LEU 365 Cb -0.08 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 40.80 3fwg h LEU 365 CO -0.05 0.36 0.23 1.56 -0.34 0.00 0.00 178.44 180.20 3fwg h GLN 366 N 0.61 1.07 -0.00 1.25 4.20 -0.55 0.36 115.11 122.06 3fwg h GLN 366 Ca 0.19 -0.21 -0.00 0.00 0.06 0.00 0.00 58.65 58.69 3fwg h GLN 366 Cb -0.02 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 27.60 3fwg h GLN 366 CO -0.07 0.90 -0.00 0.82 -0.67 0.00 0.00 178.83 179.81 3fwg h ILE 367 N 1.03 1.31 -0.54 2.54 2.04 -0.78 -1.98 117.51 121.13 3fwg h ILE 367 Ca 0.23 -0.93 -0.05 0.00 1.00 0.00 0.00 64.86 65.12 3fwg h ILE 367 Cb 0.27 1.93 -0.02 0.00 -0.74 0.00 0.00 36.82 38.26 3fwg h ILE 367 CO -0.01 0.24 0.15 0.40 0.00 0.00 0.00 178.15 178.93 3fwg h ILE 368 N -0.38 1.24 -0.68 -0.67 2.04 -0.69 -1.18 117.51 117.19 3fwg h ILE 368 Ca 0.00 -0.82 0.02 0.00 1.00 0.00 0.00 64.86 65.06 3fwg h ILE 368 Cb 0.40 0.75 -0.04 0.00 -0.74 0.00 0.00 36.82 37.19 3fwg h ILE 368 CO 0.00 0.30 0.43 0.58 0.00 0.00 0.00 178.15 179.47 3fwg h VAL 369 N 0.75 1.11 -0.12 1.67 2.07 -0.97 -1.10 116.25 119.66 3fwg h VAL 369 Ca 0.17 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 3fwg h VAL 369 Cb 0.30 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 3fwg h VAL 369 CO -0.00 0.16 0.07 0.74 0.02 0.00 0.00 177.57 178.55 3fwg h THR 370 N 0.86 1.08 -0.14 2.57 2.02 -0.91 0.08 112.91 118.46 3fwg h THR 370 Ca 0.27 -0.23 -0.00 0.00 0.77 0.00 0.00 66.41 67.22 3fwg h THR 370 Cb -0.02 1.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 3fwg h THR 370 CO -0.09 0.08 0.08 -0.07 0.37 0.00 0.00 175.52 175.88 3fwg h LEU 371 N 0.10 0.18 0.00 2.58 3.38 -1.04 0.37 115.31 120.88 3fwg h LEU 371 Ca 0.04 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 3fwg h LEU 371 Cb 0.06 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3fwg h LEU 371 CO -0.01 0.20 -0.00 0.50 0.09 0.00 0.00 178.44 179.23 3fwg h LYS 372 N 0.13 -0.00 -0.00 1.13 1.63 -1.12 -1.60 116.57 116.74 3fwg h LYS 372 Ca 0.05 0.00 -0.19 0.00 -0.85 0.00 0.00 60.65 59.66 3fwg h LYS 372 Cb 0.07 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.68 3fwg h LYS 372 CO -0.01 0.04 -0.85 0.93 -3.45 0.00 0.00 179.45 176.11 3fwg h GLU 373 N -0.05 0.18 0.08 1.90 4.39 -0.88 -2.22 114.58 117.97 3fwg h GLU 373 Ca -0.00 -0.19 -0.00 0.00 0.34 0.00 0.00 59.36 59.51 3fwg h GLU 373 Cb 0.05 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 3fwg h GLU 373 CO 0.00 0.93 -0.04 2.35 -1.16 0.00 0.00 179.01 181.09 3fwg h TRP 374 N 0.10 -0.09 0.00 4.33 2.91 -0.94 -3.10 115.95 119.16 3fwg h TRP 374 Ca -0.04 -0.00 -0.06 0.00 1.13 0.00 0.00 58.89 59.92 3fwg h TRP 374 Cb 1.47 0.03 -0.01 0.00 -0.51 0.00 0.00 29.16 30.15 3fwg h TRP 374 CO 0.03 0.29 -0.28 -0.07 -1.03 0.00 0.00 178.44 177.38 3fwg h LEU 375 N -0.51 0.00 -0.67 0.65 3.38 -1.28 0.44 115.31 117.32 3fwg h LEU 375 Ca -0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3fwg h LEU 375 Cb 0.43 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 3fwg h LEU 375 CO 0.02 0.28 0.34 0.74 0.09 0.00 0.00 178.44 179.91 3fwg h THR 376 N 0.00 1.22 0.03 0.22 2.02 -1.46 -3.15 112.91 111.78 3fwg h THR 376 Ca -0.00 -0.60 -0.37 0.00 0.77 0.00 0.00 66.41 66.21 3fwg h THR 376 Cb 0.60 0.39 -0.06 0.00 -1.74 0.00 0.00 68.15 67.34 3fwg h THR 376 CO 0.04 0.25 -2.30 0.54 0.37 0.00 0.00 175.52 174.42 3fwg n ARG 377 N -4.48 0.68 -3.40 6.66 1.74 -0.78 -4.53 116.66 112.55 3fwg n ARG 377 Ca 0.05 0.15 -0.26 0.00 -0.77 0.00 0.00 57.85 57.02 3fwg n ARG 377 Cb 0.11 -1.58 -0.08 0.00 -1.02 0.00 0.00 32.46 29.89 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 -3.18 0.76 0.21 0.55 5.41 0.15 -1.40 119.36 121.85 3fwg n ILE 378 Ca -0.38 -4.53 0.04 0.00 1.00 0.00 0.00 62.75 58.88 3fwg n ILE 378 Cb 1.04 -2.01 0.45 0.00 -0.71 0.00 0.00 39.64 38.42 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 4.45 0.00 -5.00 0.38 0.13 -1.70 -3.40 132.00 126.86 3fwg h PRO 379 Ca 0.16 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.65 3fwg h PRO 379 Cb 0.78 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 31.57 3fwg h PRO 379 CO 0.63 0.25 -0.85 0.34 -0.23 0.00 0.00 178.00 178.14 3fwg s ASP 380 N -6.94 2.79 0.18 1.44 2.15 -1.26 -4.91 116.67 110.12 3fwg s ASP 380 Ca -0.03 -0.52 -0.22 0.00 0.43 0.00 0.00 52.55 52.21 3fwg s ASP 380 Cb 0.15 -1.28 0.05 0.00 -0.30 0.00 0.00 42.92 41.55 3fwg s ASP 380 CO 0.70 0.06 0.60 0.72 -0.17 0.00 0.00 175.17 177.08 3fwg s PHE 381 N 0.84 -0.41 0.15 -5.34 -0.71 -1.26 -4.60 117.98 106.66 3fwg s PHE 381 Ca -0.08 0.13 -0.06 0.00 -1.04 0.00 0.00 56.93 55.88 3fwg s PHE 381 Cb -0.15 0.55 -0.02 0.00 -1.21 0.00 0.00 43.02 42.19 3fwg s PHE 381 CO -0.01 -0.92 0.21 -1.12 -1.34 0.00 0.00 175.22 172.04 3fwg s SER 382 N -2.80 0.13 0.26 1.98 0.01 -0.07 -4.64 113.70 108.57 3fwg s SER 382 Ca 0.04 -0.99 -0.30 0.00 1.31 0.00 0.00 55.95 56.02 3fwg s SER 382 Cb -0.02 0.39 -0.09 0.00 0.21 0.00 0.00 66.02 66.51 3fwg s SER 382 CO -0.08 -0.84 1.29 -0.63 0.41 0.00 0.00 173.24 173.39 3fwg s ILE 383 N -4.00 3.04 0.28 1.44 -1.09 -1.26 -0.66 121.20 118.96 3fwg s ILE 383 Ca 0.20 0.94 -0.30 0.00 -2.23 0.00 0.00 60.65 59.26 3fwg s ILE 383 Cb 0.05 -3.60 -0.13 0.00 -1.58 0.00 0.00 42.46 37.19 3fwg s ILE 383 CO 0.01 0.18 1.27 0.00 -1.23 0.00 0.00 174.94 175.17 3fwg n ALA 384 N 1.83 0.78 -1.61 9.38 0.00 -0.49 -4.74 120.51 125.65 3fwg n ALA 384 Ca 0.03 0.39 -0.51 0.00 0.00 0.00 0.00 53.44 53.36 3fwg n ALA 384 Cb 0.42 -2.20 -0.06 0.00 0.00 0.00 0.00 19.45 17.62 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 1.25 1.39 -0.37 0.00 -0.02 -1.26 -1.43 135.00 134.56 3fwg n PRO 385 Ca 0.09 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 3fwg n PRO 385 Cb 0.33 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 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 2.83 2.22 3.76 -1.23 0.00 -1.26 -5.00 105.19 106.51 3fwg n GLY 386 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 3fwg n GLY 386 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fwg s ALA 387 N -3.33 3.47 -0.23 4.61 0.00 -0.51 -5.02 121.76 120.75 3fwg s ALA 387 Ca 0.00 1.10 -0.02 0.00 0.00 0.00 0.00 51.96 53.04 3fwg s ALA 387 Cb 0.00 -3.43 0.01 0.00 0.00 0.00 0.00 23.12 19.70 3fwg s ALA 387 CO 0.00 -0.46 -0.06 -0.65 0.00 0.00 0.00 175.76 174.59 3fwg s GLN 388 N -1.26 3.08 -0.12 0.00 -1.52 -1.26 -4.95 119.66 113.64 3fwg s GLN 388 Ca 0.49 -0.81 -0.29 0.00 -1.95 0.00 0.00 55.36 52.80 3fwg s GLN 388 Cb -0.36 -2.97 -0.01 0.00 -0.22 0.00 0.00 33.01 29.45 3fwg s GLN 388 CO 0.45 -0.30 1.03 0.42 -0.25 0.00 0.00 175.29 176.65 3fwg s ILE 389 N 1.39 4.72 -0.21 1.08 -1.09 -1.26 -5.02 121.20 120.81 3fwg s ILE 389 Ca 0.03 2.00 -0.07 0.00 -2.23 0.00 0.00 60.65 60.38 3fwg s ILE 389 Cb -0.15 -4.29 -0.03 0.00 -1.58 0.00 0.00 42.46 36.41 3fwg s ILE 389 CO -0.05 -0.03 0.06 -1.58 -1.23 0.00 0.00 174.94 172.11 3fwg s GLN 390 N 2.27 3.82 0.50 2.79 2.00 -1.26 -4.96 119.66 124.81 3fwg s GLN 390 Ca 0.48 -0.42 0.01 0.00 -2.00 0.00 0.00 55.36 53.44 3fwg s GLN 390 Cb -0.18 -3.22 0.01 0.00 0.80 0.00 0.00 33.01 30.42 3fwg s GLN 390 CO 0.16 0.09 0.72 -1.01 -0.50 0.00 0.00 175.29 174.75 3fwg s HIS 391 N 0.85 3.04 0.04 1.67 3.76 -1.26 -0.71 115.29 122.68 3fwg s HIS 391 Ca 0.03 0.10 0.02 0.00 -0.15 0.00 0.00 55.06 55.06 3fwg s HIS 391 Cb -0.14 -2.52 -0.02 0.00 1.11 0.00 0.00 32.58 31.01 3fwg s HIS 391 CO 0.02 -0.60 -0.08 -1.59 -0.85 0.00 0.00 174.74 171.64 3fwg s LYS 392 N -4.64 0.55 0.10 1.40 -2.85 -0.13 -4.79 119.74 109.37 3fwg s LYS 392 Ca 0.53 -0.71 0.09 0.00 -1.00 0.00 0.00 55.97 54.87 3fwg s LYS 392 Cb -0.10 -0.36 -0.03 0.00 -2.06 0.00 0.00 37.83 35.28 3fwg s LYS 392 CO 0.38 0.07 -0.23 0.45 0.10 0.00 0.00 175.35 176.12 3fwg s SER 393 N -1.43 2.84 0.00 0.03 0.15 -1.26 -0.85 113.70 113.18 3fwg s SER 393 Ca -0.08 -0.67 0.00 0.00 0.70 0.00 0.00 55.95 55.90 3fwg s SER 393 Cb -0.09 -0.19 0.00 0.00 -1.71 0.00 0.00 66.02 64.03 3fwg s SER 393 CO 0.00 0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.19 3fwg n GLY 394 N 1.22 -0.70 0.27 9.45 0.00 -1.16 -4.49 105.19 109.79 3fwg n GLY 394 Ca -0.18 -0.43 -0.00 0.00 0.00 0.00 0.00 46.02 45.40 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 0.93 -3.24 -0.61 1.08 -1.45 -3.38 117.51 110.84 3fwg h ILE 395 Ca 0.00 -0.24 -0.62 0.00 -0.39 0.00 0.00 64.86 63.61 3fwg h ILE 395 Cb 0.00 0.17 -0.34 0.00 -3.07 0.00 0.00 36.82 33.58 3fwg h ILE 395 CO 0.00 0.13 -0.85 -0.69 -0.69 0.00 0.00 178.15 176.05 3fwg s VAL 396 N -6.07 1.72 0.58 1.67 1.01 -1.26 -0.70 120.40 117.35 3fwg s VAL 396 Ca -0.13 -0.78 -0.05 0.00 0.00 0.00 0.00 61.98 61.03 3fwg s VAL 396 Cb 0.17 -1.55 0.01 0.00 0.00 0.00 0.00 36.38 35.02 3fwg s VAL 396 CO 0.77 0.48 0.87 -0.44 0.00 0.00 0.00 175.10 176.78 3fwg s SER 397 N 0.91 5.51 0.04 3.32 0.01 0.03 -4.74 113.70 118.78 3fwg s SER 397 Ca -0.07 0.57 -0.02 0.00 1.31 0.00 0.00 55.95 57.74 3fwg s SER 397 Cb -0.15 -1.55 0.01 0.00 0.21 0.00 0.00 66.02 64.54 3fwg s SER 397 CO -0.02 -1.08 0.11 0.61 0.41 0.00 0.00 173.24 173.27 3fwg n GLY 398 N -2.53 1.68 3.15 3.44 0.00 -0.03 -4.77 105.19 106.12 3fwg n GLY 398 Ca 0.05 -1.01 -0.30 0.00 0.00 0.00 0.00 46.02 44.75 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 -2.78 1.80 0.17 1.61 1.01 -1.26 -0.96 120.40 119.99 3fwg s VAL 399 Ca 0.02 -0.85 -0.08 0.00 0.00 0.00 0.00 61.98 61.06 3fwg s VAL 399 Cb -0.01 -1.59 -0.01 0.00 0.00 0.00 0.00 36.38 34.77 3fwg s VAL 399 CO 0.01 0.50 1.53 1.56 0.00 0.00 0.00 175.10 178.71 3fwg h GLN 400 N 6.99 0.89 -1.84 2.72 4.20 -1.22 -3.47 115.11 123.37 3fwg h GLN 400 Ca -0.26 -0.43 -0.01 0.00 0.06 0.00 0.00 58.65 58.02 3fwg h GLN 400 Cb 1.21 -0.01 -0.21 0.00 0.30 0.00 0.00 27.48 28.78 3fwg h GLN 400 CO 0.49 1.07 0.30 0.00 -0.67 0.00 0.00 178.83 180.03 3fwg s ALA 401 N -4.48 -1.83 -0.38 3.87 0.00 -1.26 -5.00 121.76 112.68 3fwg s ALA 401 Ca -0.10 1.53 0.02 0.00 0.00 0.00 0.00 51.96 53.41 3fwg s ALA 401 Cb 0.12 -0.46 0.16 0.00 0.00 0.00 0.00 23.12 22.93 3fwg s ALA 401 CO 0.87 -0.34 0.28 -1.17 0.00 0.00 0.00 175.76 175.39 3fwg s LEU 402 N -0.85 1.18 -0.16 0.00 2.96 -1.26 -4.57 118.68 115.98 3fwg s LEU 402 Ca -0.06 -2.63 -0.29 0.00 -0.22 0.00 0.00 54.13 50.93 3fwg s LEU 402 Cb -0.01 -0.41 -0.01 0.00 0.50 0.00 0.00 46.19 46.26 3fwg s LEU 402 CO 0.05 -0.24 1.14 -2.16 -1.32 0.00 0.00 176.35 173.82 3fwg s PRO 403 N 0.56 4.30 0.12 0.98 0.04 -1.26 -0.95 135.00 138.78 3fwg s PRO 403 Ca 0.26 1.52 0.08 0.00 0.04 0.00 0.00 61.00 62.90 3fwg s PRO 403 Cb -0.09 -3.65 -0.04 0.00 0.04 0.00 0.00 34.50 30.76 3fwg s PRO 403 CO -0.10 -0.57 -0.14 -0.51 0.04 0.00 0.00 177.00 175.73 3fwg s LEU 404 N 2.91 2.89 0.07 -3.56 1.43 -0.50 -1.40 118.68 120.51 3fwg s LEU 404 Ca 0.50 -0.48 0.02 0.00 -1.03 0.00 0.00 54.13 53.15 3fwg s LEU 404 Cb -0.19 -1.70 -0.03 0.00 0.03 0.00 0.00 46.19 44.30 3fwg s LEU 404 CO 0.14 0.17 -0.07 0.68 0.23 0.00 0.00 176.35 177.50 3fwg s VAL 405 N -1.22 0.61 0.17 -1.59 -7.23 0.16 -1.87 120.40 109.44 3fwg s VAL 405 Ca 0.20 -1.44 -0.20 0.00 -1.81 0.00 0.00 61.98 58.73 3fwg s VAL 405 Cb -0.11 -1.06 0.05 0.00 0.56 0.00 0.00 36.38 35.83 3fwg s VAL 405 CO 0.12 -0.58 0.56 -1.66 -0.31 0.00 0.00 175.10 173.23 3fwg s TRP 406 N -2.31 -0.36 -0.32 2.82 -2.14 -0.16 -0.89 118.94 115.59 3fwg s TRP 406 Ca -0.01 0.08 -0.24 0.00 2.66 0.00 0.00 56.10 58.59 3fwg s TRP 406 Cb -0.04 0.48 0.00 0.00 -3.10 0.00 0.00 33.47 30.82 3fwg s TRP 406 CO -0.02 -0.87 0.82 0.34 -2.66 0.00 0.00 176.95 174.56 3fwg s ASP 407 N -2.80 6.67 0.62 -2.66 -1.08 -1.26 -4.39 116.67 111.77 3fwg s ASP 407 Ca 0.04 0.65 0.32 0.00 -0.52 0.00 0.00 52.55 53.03 3fwg s ASP 407 Cb -0.01 -2.42 1.77 0.00 -1.46 0.00 0.00 42.92 40.80 3fwg s ASP 407 CO -0.09 -0.67 2.08 -0.65 0.52 0.00 0.00 175.17 176.37 3fwg h PRO 408 N 8.18 0.00 0.00 4.34 0.11 -1.88 -0.59 132.00 142.16 3fwg h PRO 408 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 3fwg h PRO 408 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3fwg h PRO 408 CO 0.90 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.69 3fwg n ALA 409 N -2.18 1.84 0.97 -0.75 0.00 -1.26 -1.89 120.51 117.24 3fwg n ALA 409 Ca 0.01 -0.07 0.11 0.00 0.00 0.00 0.00 53.44 53.49 3fwg n ALA 409 Cb 0.33 -1.29 0.07 0.00 0.00 0.00 0.00 19.45 18.57 3fwg n ALA 409 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3fwg n THR 410 N -1.46 0.00 -2.67 0.00 -2.24 -0.23 -4.99 114.28 102.69 3fwg n THR 410 Ca 0.05 -0.45 -0.22 0.00 -2.27 0.00 0.00 64.05 61.16 3fwg n THR 410 Cb 0.19 1.43 0.03 0.00 -2.10 0.00 0.00 70.33 69.89 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 -2.05 3.08 -0.03 4.28 -4.23 -0.79 -4.58 115.64 111.31 3fwg s THR 411 Ca 0.25 -0.53 -0.01 0.00 -1.18 0.00 0.00 61.69 60.23 3fwg s THR 411 Cb 0.19 -3.17 0.03 0.00 1.34 0.00 0.00 72.50 70.89 3fwg s THR 411 CO 0.35 -0.13 0.04 -1.59 -0.54 0.00 0.00 174.62 172.75 3fwg s LYS 412 N -4.77 0.02 0.15 3.99 -2.85 -0.50 -5.03 119.74 110.75 3fwg s LYS 412 Ca 0.55 0.24 -0.30 0.00 -1.00 0.00 0.00 55.97 55.46 3fwg s LYS 412 Cb -0.10 -0.41 -0.08 0.00 -2.06 0.00 0.00 37.83 35.18 3fwg s LYS 412 CO 0.39 -0.23 1.23 0.00 0.10 0.00 0.00 175.35 176.84 3fwg s ALA 413 N 1.53 3.45 -2.14 0.59 0.00 -1.26 -4.40 121.76 119.53 3fwg s ALA 413 Ca -0.03 0.96 0.31 0.00 0.00 0.00 0.00 51.96 53.19 3fwg s ALA 413 Cb -0.13 -3.44 1.67 0.00 0.00 0.00 0.00 23.12 21.23 3fwg s ALA 413 CO -0.03 -0.42 2.10 0.28 0.00 0.00 0.00 175.76 177.68