#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sxj s LYS 296 N 0.00 3.38 0.80 -0.67 1.02 -1.26 -5.02 119.74 117.98 1sxj s LYS 296 Ca 0.00 0.53 -0.13 0.00 0.02 0.00 0.00 55.97 56.39 1sxj s LYS 296 Cb 0.00 -2.13 0.08 0.00 -0.52 0.00 0.00 37.83 35.26 1sxj s LYS 296 CO 0.00 -0.62 1.20 -0.51 -0.92 0.00 0.00 175.35 174.50 1sxj s LEU 297 N -5.13 3.15 0.16 3.17 1.43 -1.26 -4.84 118.68 115.35 1sxj s LEU 297 Ca 0.54 2.33 -0.06 0.00 -1.03 0.00 0.00 54.13 55.91 1sxj s LEU 297 Cb -0.11 -4.58 0.01 0.00 0.03 0.00 0.00 46.19 41.54 1sxj s LEU 297 CO 0.51 -2.59 1.43 -0.50 0.23 0.00 0.00 176.35 175.43 1sxj h TRP 298 N -0.86 0.82 -0.09 0.29 4.06 -1.95 -2.78 115.95 115.43 1sxj h TRP 298 Ca -0.46 -0.32 0.03 0.00 2.06 0.00 0.00 58.89 60.20 1sxj h TRP 298 Cb 1.29 -0.14 -0.00 0.00 -1.00 0.00 0.00 29.16 29.30 1sxj h TRP 298 CO 0.48 1.10 0.13 1.79 -3.56 0.00 0.00 178.44 178.37 1sxj h THR 299 N 0.47 0.38 0.00 1.49 1.35 -1.91 0.25 112.91 114.94 1sxj h THR 299 Ca -0.01 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.85 1sxj h THR 299 Cb 1.21 0.89 0.00 0.00 -1.73 0.00 0.00 68.15 68.52 1sxj h THR 299 CO 0.12 0.00 -0.00 0.58 -0.25 0.00 0.00 175.52 175.97 1sxj h VAL 300 N 0.00 0.00 -0.35 6.82 2.07 -1.87 -3.12 116.25 119.80 1sxj h VAL 300 Ca 0.04 -0.30 0.10 0.00 0.82 0.00 0.00 66.70 67.36 1sxj h VAL 300 Cb 0.31 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.06 1sxj h VAL 300 CO -0.00 0.00 0.39 0.07 0.02 0.00 0.00 177.57 178.05 1sxj h LYS 301 N -0.31 0.00 -0.62 1.57 2.10 -1.28 0.10 116.57 118.13 1sxj h LYS 301 Ca -0.00 0.00 -0.37 0.00 -2.00 0.00 0.00 60.65 58.28 1sxj h LYS 301 Cb 0.00 0.00 -0.22 0.00 -0.90 0.00 0.00 32.23 31.12 1sxj h LYS 301 CO 0.00 0.00 0.09 0.66 -2.00 0.00 0.00 179.45 178.20 1sxj n TYR 302 N -3.72 1.99 -2.99 0.07 0.53 0.06 -4.99 117.16 108.12 1sxj n TYR 302 Ca 0.06 -1.95 -0.40 0.00 -1.02 0.00 0.00 57.90 54.58 1sxj n TYR 302 Cb 0.55 -0.70 -0.05 0.00 -1.03 0.00 0.00 39.34 38.12 1sxj n TYR 302 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1sxj s ALA 303 N -3.40 3.35 0.45 -0.72 0.00 0.02 -4.94 121.76 116.52 1sxj s ALA 303 Ca 0.51 0.25 -0.20 0.00 0.00 0.00 0.00 51.96 52.52 1sxj s ALA 303 Cb 0.44 -3.00 -0.15 0.00 0.00 0.00 0.00 23.12 20.40 1sxj s ALA 303 CO 0.02 -0.01 -0.00 -2.30 0.00 0.00 0.00 175.76 173.47 1sxj n PRO 304 N 3.19 0.01 0.00 0.00 -0.02 -1.26 -4.90 135.00 132.01 1sxj n PRO 304 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 1sxj n PRO 304 Cb 0.51 -1.01 0.00 0.00 -0.02 0.00 0.00 33.50 32.98 1sxj n PRO 304 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1sxj n THR 305 N -1.24 0.00 -3.70 3.45 -1.04 -1.26 -5.03 114.28 105.46 1sxj n THR 305 Ca 0.10 -0.39 -0.14 0.00 -2.04 0.00 0.00 64.05 61.57 1sxj n THR 305 Cb 0.43 1.04 -0.08 0.00 -1.82 0.00 0.00 70.33 69.90 1sxj n THR 305 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 1sxj s ASN 306 N -0.64 -0.34 0.00 8.00 -0.87 -1.26 -4.98 114.94 114.85 1sxj s ASN 306 Ca 0.00 0.36 0.00 0.00 -1.57 0.00 0.00 52.86 51.65 1sxj s ASN 306 Cb 0.00 0.46 0.00 0.00 -0.02 0.00 0.00 41.25 41.69 1sxj s ASN 306 CO 0.00 -0.44 0.86 0.18 -2.57 0.00 0.00 177.10 175.13 1sxj n LEU 307 N 1.43 0.00 -0.83 0.60 4.77 -1.26 -0.27 117.00 121.44 1sxj n LEU 307 Ca -0.20 0.37 -0.01 0.00 -0.03 0.00 0.00 56.01 56.14 1sxj n LEU 307 Cb 0.56 -0.37 0.03 0.00 -2.33 0.00 0.00 43.42 41.32 1sxj n LEU 307 CO 0.21 -0.37 0.42 0.00 -1.33 0.00 0.00 177.39 176.32 1sxj n GLN 308 N -1.36 1.25 -0.25 3.23 6.02 -1.26 -3.08 117.38 121.93 1sxj n GLN 308 Ca 0.00 -0.28 0.00 0.00 -0.01 0.00 0.00 57.00 56.71 1sxj n GLN 308 Cb 0.11 -1.37 0.00 0.00 1.02 0.00 0.00 30.24 29.99 1sxj n GLN 308 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1sxj n GLN 309 N 0.18 0.00 -3.13 -1.09 6.02 0.63 -5.03 117.38 114.95 1sxj n GLN 309 Ca 0.04 -0.40 -0.45 0.00 -0.01 0.00 0.00 57.00 56.18 1sxj n GLN 309 Cb 0.45 -0.26 -0.04 0.00 1.02 0.00 0.00 30.24 31.40 1sxj n GLN 309 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1sxj s VAL 310 N 0.00 4.92 -0.52 5.09 1.01 -1.18 -4.65 120.40 125.07 1sxj s VAL 310 Ca 0.00 -1.24 -0.26 0.00 0.00 0.00 0.00 61.98 60.48 1sxj s VAL 310 Cb 0.00 -4.51 -0.07 0.00 0.00 0.00 0.00 36.38 31.80 1sxj s VAL 310 CO 0.00 -1.14 2.40 0.00 0.00 0.00 0.00 175.10 176.36 1sxj n GLY 312 N 6.06 0.63 2.64 0.00 0.00 -1.26 -4.72 105.19 108.55 1sxj n GLY 312 Ca 0.37 -2.16 0.00 0.00 0.00 0.00 0.00 46.02 44.23 1sxj n GLY 312 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1sxj n ASN 313 N 0.00 -2.07 -0.51 1.61 3.02 -1.26 -4.73 115.26 111.32 1sxj n ASN 313 Ca 0.00 0.00 0.41 0.00 -0.03 0.00 0.00 54.58 54.96 1sxj n ASN 313 Cb 0.00 -1.75 0.66 0.00 -0.61 0.00 0.00 39.78 38.08 1sxj n ASN 313 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1sxj n LYS 314 N 0.20 -0.02 -0.04 3.52 5.02 -1.26 0.16 118.16 125.73 1sxj n LYS 314 Ca 0.00 1.07 -0.12 0.00 -2.02 0.00 0.00 58.31 57.24 1sxj n LYS 314 Cb 0.17 -2.25 -0.07 0.00 -0.02 0.00 0.00 35.03 32.87 1sxj n LYS 314 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1sxj h GLY 315 N 0.00 0.27 1.55 0.72 0.00 -1.99 -2.08 103.07 101.54 1sxj h GLY 315 Ca 0.82 -0.21 -0.13 0.00 0.00 0.00 0.00 47.33 47.80 1sxj h GLY 315 CO -0.26 0.20 -0.44 1.76 0.00 0.00 0.00 176.54 177.79 1sxj h SER 316 N -0.05 0.52 -0.74 0.19 0.02 0.12 -1.67 113.55 111.94 1sxj h SER 316 Ca 0.04 -0.24 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 1sxj h SER 316 Cb 0.42 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.78 1sxj h SER 316 CO 0.01 0.90 0.48 0.58 -1.14 0.00 0.00 176.83 177.66 1sxj h VAL 317 N 0.40 1.20 0.65 2.27 2.07 -0.96 0.64 116.25 122.52 1sxj h VAL 317 Ca 0.03 -0.38 -0.03 0.00 0.82 0.00 0.00 66.70 67.13 1sxj h VAL 317 Cb 0.94 0.12 0.01 0.00 -1.52 0.00 0.00 31.29 30.83 1sxj h VAL 317 CO 0.08 0.20 -0.31 -0.03 0.02 0.00 0.00 177.57 177.52 1sxj h MET 318 N 1.01 -0.84 -1.18 1.57 4.05 -1.15 0.17 114.93 118.55 1sxj h MET 318 Ca 0.27 0.06 0.34 0.00 -0.28 0.00 0.00 59.70 60.08 1sxj h MET 318 Cb -0.09 0.19 -0.08 0.00 -0.80 0.00 0.00 31.60 30.82 1sxj h MET 318 CO -0.06 -0.55 0.80 -0.22 0.23 0.00 0.00 176.91 177.11 1sxj h LYS 319 N -0.91 0.17 0.19 0.39 3.64 -0.85 0.11 116.57 119.31 1sxj h LYS 319 Ca -0.09 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.27 1sxj h LYS 319 Cb 0.68 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 1sxj h LYS 319 CO 0.15 0.11 -0.09 1.25 -2.27 0.00 0.00 179.45 178.60 1sxj h LEU 320 N 0.18 -0.22 -0.89 5.20 5.85 -0.08 -3.07 115.31 122.27 1sxj h LEU 320 Ca 0.63 0.01 0.24 0.00 0.84 0.00 0.00 57.88 59.60 1sxj h LEU 320 Cb 2.06 0.06 -0.14 0.00 0.37 0.00 0.00 40.66 43.01 1sxj h LEU 320 CO -0.19 0.03 0.29 0.50 -0.34 0.00 0.00 178.44 178.73 1sxj h LYS 321 N -0.63 0.24 0.48 1.25 3.64 0.32 -1.41 116.57 120.46 1sxj h LYS 321 Ca -0.03 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 1sxj h LYS 321 Cb 0.20 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 1sxj h LYS 321 CO 0.04 0.16 -0.33 -0.91 -2.27 0.00 0.00 179.45 176.14 1sxj h ASN 322 N 0.25 -0.86 -0.96 4.20 2.35 -0.94 -1.82 115.58 117.79 1sxj h ASN 322 Ca 0.57 0.05 0.27 0.00 -0.55 0.00 0.00 56.30 56.65 1sxj h ASN 322 Cb 1.17 0.26 -0.17 0.00 0.05 0.00 0.00 38.32 39.63 1sxj h ASN 322 CO -0.63 -0.49 0.09 -0.25 -1.65 0.00 0.00 177.43 174.49 1sxj h TRP 323 N -0.77 0.06 0.00 1.19 7.01 -1.18 1.85 115.95 124.10 1sxj h TRP 323 Ca -0.06 0.07 0.00 0.00 2.11 0.00 0.00 58.89 61.00 1sxj h TRP 323 Cb 0.63 0.13 0.00 0.00 -2.10 0.00 0.00 29.16 27.82 1sxj h TRP 323 CO -0.08 -0.40 0.00 -0.11 -2.79 0.00 0.00 178.44 175.06 1sxj n LEU 324 N -5.43 0.53 -0.09 0.65 7.94 -0.75 -2.40 117.00 117.45 1sxj n LEU 324 Ca 0.23 0.63 -0.14 0.00 -1.11 0.00 0.00 56.01 55.63 1sxj n LEU 324 Cb 0.77 -0.57 -0.07 0.00 0.53 0.00 0.00 43.42 44.08 1sxj n LEU 324 CO -0.04 -0.51 -0.39 0.00 -1.11 0.00 0.00 177.39 175.34 1sxj h ALA 325 N 2.30 0.14 0.00 1.96 0.00 0.37 -3.36 119.26 120.67 1sxj h ALA 325 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 54.91 54.06 1sxj h ALA 325 Cb 0.33 0.59 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1sxj h ALA 325 CO 0.00 0.57 0.00 0.09 0.00 0.00 0.00 179.25 179.91 1sxj n ASN 326 N -4.53 0.34 0.03 0.00 5.03 -0.49 -3.99 115.26 111.66 1sxj n ASN 326 Ca -0.20 -1.56 -0.13 0.00 0.87 0.00 0.00 54.58 53.57 1sxj n ASN 326 Cb 0.48 -0.17 -0.08 0.00 -1.02 0.00 0.00 39.78 38.99 1sxj n ASN 326 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.26 175.18 1sxj h TRP 327 N 0.10 -0.05 -0.69 3.10 7.01 -1.63 0.13 115.95 123.91 1sxj h TRP 327 Ca 0.00 -0.00 0.12 0.00 2.11 0.00 0.00 58.89 61.12 1sxj h TRP 327 Cb 0.17 0.02 -0.09 0.00 -2.10 0.00 0.00 29.16 27.16 1sxj h TRP 327 CO 0.00 0.21 0.25 0.93 -2.79 0.00 0.00 178.44 177.03 1sxj h GLU 328 N -0.31 0.39 -0.03 2.65 4.39 -1.87 0.99 114.58 120.79 1sxj h GLU 328 Ca -0.01 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 1sxj h GLU 328 Cb 0.28 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 28.84 1sxj h GLU 328 CO 0.01 0.26 -0.01 -0.91 -1.16 0.00 0.00 179.01 177.20 1sxj h ASN 329 N 0.40 0.06 -1.04 1.42 4.21 -1.81 0.94 115.58 119.76 1sxj h ASN 329 Ca 0.36 -0.39 0.27 0.00 1.21 0.00 0.00 56.30 57.75 1sxj h ASN 329 Cb 0.52 -0.02 -0.10 0.00 -1.12 0.00 0.00 38.32 37.60 1sxj h ASN 329 CO -0.37 0.44 0.66 0.28 -1.29 0.00 0.00 177.43 177.14 1sxj h SER 330 N -0.33 0.49 0.29 5.81 0.02 0.04 0.44 113.55 120.32 1sxj h SER 330 Ca 0.01 0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 1sxj h SER 330 Cb 0.41 0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.98 1sxj h SER 330 CO 0.00 0.08 -0.14 0.50 -1.14 0.00 0.00 176.83 176.13 1sxj h LYS 331 N 0.43 -0.38 -1.18 3.45 3.64 -0.49 1.34 116.57 123.38 1sxj h LYS 331 Ca 0.61 0.03 0.35 0.00 -1.27 0.00 0.00 60.65 60.37 1sxj h LYS 331 Cb 1.47 0.09 -0.11 0.00 -0.41 0.00 0.00 32.23 33.27 1sxj h LYS 331 CO -0.34 -0.04 0.76 0.87 -2.27 0.00 0.00 179.45 178.42 1sxj h LYS 332 N -0.86 0.22 -0.66 1.90 1.79 0.20 0.63 116.57 119.79 1sxj h LYS 332 Ca -0.04 -0.01 -0.03 0.00 -2.18 0.00 0.00 60.65 58.39 1sxj h LYS 332 Cb 0.52 -0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 31.10 1sxj h LYS 332 CO 0.07 0.15 0.03 0.09 -1.08 0.00 0.00 179.45 178.70 1sxj n ASN 333 N -4.68 5.01 -2.11 0.86 3.02 0.12 -4.92 115.26 112.56 1sxj n ASN 333 Ca 0.32 -2.84 -0.18 0.00 -0.03 0.00 0.00 54.58 51.85 1sxj n ASN 333 Cb 1.17 -0.67 -0.03 0.00 -0.61 0.00 0.00 39.78 39.64 1sxj n ASN 333 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1sxj n SER 334 N 0.46 -5.04 -2.97 6.41 7.64 0.22 -2.63 113.62 117.71 1sxj n SER 334 Ca 0.25 0.19 -0.19 0.00 1.01 0.00 0.00 58.87 60.14 1sxj n SER 334 Cb 1.10 -4.31 0.00 0.00 -1.01 0.00 0.00 64.21 59.98 1sxj n SER 334 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1sxj n PHE 335 N -3.24 -1.67 -0.07 1.43 3.01 0.46 -4.84 117.46 112.53 1sxj n PHE 335 Ca -0.20 0.30 0.05 0.00 1.01 0.00 0.00 57.45 58.60 1sxj n PHE 335 Cb 0.64 -3.04 0.12 0.00 -0.01 0.00 0.00 39.48 37.18 1sxj n PHE 335 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1sxj n LYS 336 N -3.41 2.52 -3.76 -1.08 5.02 -1.08 -3.97 118.16 112.40 1sxj n LYS 336 Ca -0.08 -1.86 -0.33 0.00 -2.02 0.00 0.00 58.31 54.03 1sxj n LYS 336 Cb 0.58 -1.23 -0.09 0.00 -0.02 0.00 0.00 35.03 34.26 1sxj n LYS 336 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1sxj s HIS 337 N -0.97 3.71 -0.63 2.13 3.76 -1.26 -4.99 115.29 117.03 1sxj s HIS 337 Ca 0.19 -3.13 -0.26 0.00 -0.15 0.00 0.00 55.06 51.71 1sxj s HIS 337 Cb 0.10 -3.02 -0.07 0.00 1.11 0.00 0.00 32.58 30.70 1sxj s HIS 337 CO 0.14 -0.67 2.24 0.00 -0.85 0.00 0.00 174.74 175.60 1sxj s ALA 338 N -1.25 1.52 0.73 -1.40 0.00 -1.26 -4.52 121.76 115.58 1sxj s ALA 338 Ca 0.25 -0.49 -0.02 0.00 0.00 0.00 0.00 51.96 51.70 1sxj s ALA 338 Cb -0.08 -4.42 0.04 0.00 0.00 0.00 0.00 23.12 18.66 1sxj s ALA 338 CO -0.13 -4.74 0.08 0.41 0.00 0.00 0.00 175.76 171.39 1sxj n GLY 339 N 6.23 -2.48 0.00 0.00 0.00 -1.26 -4.45 105.19 103.22 1sxj n GLY 339 Ca 0.36 -0.82 0.04 0.00 0.00 0.00 0.00 46.02 45.60 1sxj n GLY 339 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1sxj n LYS 340 N -1.53 0.27 -0.00 1.61 4.81 -1.26 -1.51 118.16 120.55 1sxj n LYS 340 Ca 0.01 0.00 0.02 0.00 -0.87 0.00 0.00 58.31 57.47 1sxj n LYS 340 Cb 0.06 -1.47 -0.03 0.00 0.02 0.00 0.00 35.03 33.61 1sxj n LYS 340 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1sxj n ASP 341 N -0.97 3.73 0.00 3.14 -0.08 -1.26 -5.00 116.55 116.11 1sxj n ASP 341 Ca 0.06 -0.06 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1sxj n ASP 341 Cb 0.03 1.16 0.00 0.00 2.34 0.00 0.00 41.12 44.65 1sxj n ASP 341 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1sxj n GLY 342 N 2.16 2.96 2.64 0.27 0.00 -0.57 -4.90 105.19 107.76 1sxj n GLY 342 Ca -0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 1sxj n GLY 342 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1sxj n SER 343 N 0.29 4.86 0.00 1.61 7.64 -1.26 -3.21 113.62 123.55 1sxj n SER 343 Ca 0.00 -2.36 0.00 0.00 1.01 0.00 0.00 58.87 57.52 1sxj n SER 343 Cb 0.00 -1.12 0.00 0.00 -1.01 0.00 0.00 64.21 62.08 1sxj n SER 343 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1sxj n GLY 344 N 3.82 0.70 0.93 0.23 0.00 -1.26 -4.75 105.19 104.86 1sxj n GLY 344 Ca 0.46 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.55 1sxj n GLY 344 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1sxj n VAL 345 N 0.00 1.46 -4.10 1.61 0.24 -1.20 -4.15 118.33 112.19 1sxj n VAL 345 Ca 0.00 -1.25 -0.33 0.00 -2.04 0.00 0.00 64.34 60.72 1sxj n VAL 345 Cb 0.00 0.25 -0.16 0.00 -1.47 0.00 0.00 33.84 32.46 1sxj n VAL 345 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1sxj s PHE 346 N -1.59 2.81 0.12 6.34 0.40 -1.26 -4.92 117.98 119.87 1sxj s PHE 346 Ca 0.35 -1.60 -0.16 0.00 -0.60 0.00 0.00 56.93 54.91 1sxj s PHE 346 Cb 0.22 -1.94 -0.03 0.00 0.51 0.00 0.00 43.02 41.78 1sxj s PHE 346 CO 0.17 -0.79 1.61 0.00 0.70 0.00 0.00 175.22 176.91 1sxj h ARG 347 N 7.95 0.58 -5.75 0.44 2.47 -1.83 -3.46 114.38 114.78 1sxj h ARG 347 Ca -0.45 -0.14 -0.48 0.00 -1.26 0.00 0.00 59.98 57.64 1sxj h ARG 347 Cb 1.14 -0.07 -0.18 0.00 -1.65 0.00 0.00 29.97 29.21 1sxj h ARG 347 CO 0.63 0.63 -0.77 0.00 0.56 0.00 0.00 179.97 181.02 1sxj s ALA 348 N -5.26 1.86 0.01 0.04 0.00 -1.26 -3.82 121.76 113.33 1sxj s ALA 348 Ca -0.13 -1.45 0.01 0.00 0.00 0.00 0.00 51.96 50.39 1sxj s ALA 348 Cb 0.09 -0.14 -0.04 0.00 0.00 0.00 0.00 23.12 23.03 1sxj s ALA 348 CO 0.76 0.18 0.03 0.00 0.00 0.00 0.00 175.76 176.73 1sxj s ALA 349 N -2.16 3.40 -0.37 0.00 0.00 -0.15 -1.26 121.76 121.22 1sxj s ALA 349 Ca 0.14 -0.95 0.03 0.00 0.00 0.00 0.00 51.96 51.19 1sxj s ALA 349 Cb -0.05 -1.40 0.11 0.00 0.00 0.00 0.00 23.12 21.77 1sxj s ALA 349 CO 0.06 0.67 0.09 1.41 0.00 0.00 0.00 175.76 177.99 1sxj s MET 350 N -1.76 1.60 0.34 0.00 0.00 0.10 -1.08 119.30 118.51 1sxj s MET 350 Ca 0.22 -1.97 -0.23 0.00 0.00 0.00 0.00 55.69 53.71 1sxj s MET 350 Cb -0.12 -3.26 -0.10 0.00 0.00 0.00 0.00 34.83 31.35 1sxj s MET 350 CO 0.13 -0.97 0.90 -0.51 0.00 0.00 0.00 175.02 174.57 1sxj s LEU 351 N 0.77 4.21 0.02 4.11 1.43 0.26 -2.28 118.68 127.19 1sxj s LEU 351 Ca 0.12 1.70 -0.27 0.00 -1.03 0.00 0.00 54.13 54.65 1sxj s LEU 351 Cb -0.20 -4.11 0.07 0.00 0.03 0.00 0.00 46.19 41.97 1sxj s LEU 351 CO -0.07 -0.15 0.62 -0.72 0.23 0.00 0.00 176.35 176.27 1sxj s TYR 352 N -1.79 -0.57 0.00 0.29 -0.85 -1.19 -1.56 117.35 111.68 1sxj s TYR 352 Ca 0.53 0.80 0.00 0.00 -0.52 0.00 0.00 57.07 57.88 1sxj s TYR 352 Cb -0.15 0.42 0.00 0.00 0.38 0.00 0.00 41.96 42.61 1sxj s TYR 352 CO 0.20 -0.66 0.00 0.41 -1.52 0.00 0.00 175.55 173.98 1sxj n GLY 353 N 0.55 1.22 3.33 5.49 0.00 -1.03 -1.44 105.19 113.31 1sxj n GLY 353 Ca -0.19 -1.25 -0.31 0.00 0.00 0.00 0.00 46.02 44.28 1sxj n GLY 353 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1sxj n PRO 354 N -1.11 -2.01 -2.04 1.61 -0.02 -1.26 -4.28 135.00 125.89 1sxj n PRO 354 Ca 0.00 -0.57 -0.38 0.00 -2.02 0.00 0.00 63.50 60.53 1sxj n PRO 354 Cb 0.00 -1.84 0.01 0.00 -0.02 0.00 0.00 33.50 31.65 1sxj n PRO 354 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1sxj s PRO 355 N -3.75 3.55 -1.29 0.52 0.02 -1.26 -4.14 135.00 128.65 1sxj s PRO 355 Ca 0.60 2.02 -0.14 0.00 0.02 0.00 0.00 61.00 63.51 1sxj s PRO 355 Cb -0.16 -2.41 0.01 0.00 0.02 0.00 0.00 34.50 31.96 1sxj s PRO 355 CO 0.66 -0.79 0.55 0.41 -0.33 0.00 0.00 177.00 177.50 1sxj n GLY 356 N 0.59 -0.58 0.00 0.52 0.00 -1.26 -4.54 105.19 99.92 1sxj n GLY 356 Ca 0.08 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.39 1sxj n GLY 356 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1sxj n ILE 357 N -4.47 0.48 0.00 -0.61 -6.64 -1.26 -1.37 119.36 105.49 1sxj n ILE 357 Ca -0.20 -0.70 0.00 0.00 -1.77 0.00 0.00 62.75 60.08 1sxj n ILE 357 Cb 0.63 0.80 0.00 0.00 -1.44 0.00 0.00 39.64 39.63 1sxj n ILE 357 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1sxj n GLY 358 N -0.24 0.72 0.41 3.28 0.00 -1.26 -4.89 105.19 103.21 1sxj n GLY 358 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 1sxj n GLY 358 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sxj h LYS 359 N 3.53 -0.74 0.00 1.61 1.57 -1.95 0.30 116.57 120.89 1sxj h LYS 359 Ca 0.00 0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 1sxj h LYS 359 Cb 0.00 0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.47 1sxj h LYS 359 CO 0.00 -0.49 -0.11 1.15 -0.57 0.00 0.00 179.45 179.43 1sxj h THR 360 N -0.77 1.07 -0.10 -0.16 2.02 -2.00 -1.65 112.91 111.32 1sxj h THR 360 Ca -0.02 -0.38 -0.10 0.00 0.77 0.00 0.00 66.41 66.68 1sxj h THR 360 Cb 0.71 1.20 0.00 0.00 -1.74 0.00 0.00 68.15 68.33 1sxj h THR 360 CO -0.10 0.11 -0.33 0.74 0.37 0.00 0.00 175.52 176.31 1sxj h THR 361 N 0.00 1.39 0.91 3.16 2.02 -1.79 -3.00 112.91 115.60 1sxj h THR 361 Ca -0.00 -1.66 -0.04 0.00 0.77 0.00 0.00 66.41 65.48 1sxj h THR 361 Cb 0.20 2.17 0.01 0.00 -1.74 0.00 0.00 68.15 68.79 1sxj h THR 361 CO 0.01 0.49 -0.45 0.00 0.37 0.00 0.00 175.52 175.94 1sxj h ALA 362 N 0.49 -1.33 -0.75 6.16 0.00 -0.05 -0.57 119.26 123.21 1sxj h ALA 362 Ca -0.01 -0.27 0.15 0.00 0.00 0.00 0.00 54.91 54.78 1sxj h ALA 362 Cb 0.95 0.49 -0.14 0.00 0.00 0.00 0.00 17.79 19.09 1sxj h ALA 362 CO 0.07 -1.24 -0.20 0.00 0.00 0.00 0.00 179.25 177.88 1sxj h ALA 363 N -1.41 0.46 -0.05 0.00 0.00 -1.43 0.70 119.26 117.52 1sxj h ALA 363 Ca -0.12 0.29 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1sxj h ALA 363 Cb 0.95 0.59 -0.00 0.00 0.00 0.00 0.00 17.79 19.33 1sxj h ALA 363 CO 0.20 -0.43 0.01 0.45 0.00 0.00 0.00 179.25 179.49 1sxj h HIS 364 N -0.01 0.07 -0.19 0.00 3.86 -1.50 -2.60 115.15 114.79 1sxj h HIS 364 Ca 0.35 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.56 1sxj h HIS 364 Cb 0.55 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.99 1sxj h HIS 364 CO -0.61 0.24 0.12 1.25 0.86 0.00 0.00 177.93 179.80 1sxj h LEU 365 N -0.12 0.22 -1.84 2.43 5.85 0.24 -0.74 115.31 121.37 1sxj h LEU 365 Ca 0.01 -0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.72 1sxj h LEU 365 Cb 0.20 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 1sxj h LEU 365 CO -0.00 0.20 0.15 0.58 -0.34 0.00 0.00 178.44 179.02 1sxj h VAL 366 N 0.23 1.01 -0.02 1.05 2.07 0.31 -0.15 116.25 120.76 1sxj h VAL 366 Ca 0.07 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 1sxj h VAL 366 Cb 0.01 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 1sxj h VAL 366 CO -0.01 0.04 -0.06 0.00 0.02 0.00 0.00 177.57 177.55 1sxj h ALA 367 N 1.87 0.03 0.00 1.67 0.00 -1.00 -3.03 119.26 118.80 1sxj h ALA 367 Ca 0.09 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 1sxj h ALA 367 Cb 0.09 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1sxj h ALA 367 CO -0.02 -0.10 -0.02 1.96 0.00 0.00 0.00 179.25 181.07 1sxj h GLN 368 N -0.54 0.00 0.07 0.00 4.20 -0.62 -2.62 115.11 115.60 1sxj h GLN 368 Ca -0.00 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.46 1sxj h GLN 368 Cb 0.71 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.48 1sxj h GLN 368 CO 0.01 0.02 -1.11 0.93 -0.67 0.00 0.00 178.83 178.01 1sxj h GLU 369 N 0.00 0.17 -0.79 1.46 5.08 -1.03 -3.20 114.58 116.27 1sxj h GLU 369 Ca -0.00 -0.27 -0.03 0.00 -1.00 0.00 0.00 59.36 58.06 1sxj h GLU 369 Cb 0.34 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 1sxj h GLU 369 CO 0.00 1.11 0.04 1.28 -1.00 0.00 0.00 179.01 180.44 1sxj n LEU 370 N -3.48 3.87 0.00 1.33 4.77 -1.00 -4.90 117.00 117.58 1sxj n LEU 370 Ca -0.05 -1.97 0.00 0.00 -0.03 0.00 0.00 56.01 53.96 1sxj n LEU 370 Cb 0.97 -0.62 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 1sxj n LEU 370 CO 0.51 0.50 0.00 0.61 -1.33 0.00 0.00 177.39 177.68 1sxj n GLY 371 N 0.28 1.97 3.65 -0.72 0.00 -1.19 -4.52 105.19 104.65 1sxj n GLY 371 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 1sxj n GLY 371 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1sxj n TYR 372 N -1.88 0.62 -3.90 1.61 4.02 -1.12 -2.90 117.16 113.60 1sxj n TYR 372 Ca 0.00 0.35 -0.31 0.00 -0.01 0.00 0.00 57.90 57.93 1sxj n TYR 372 Cb 0.00 -1.97 -0.04 0.00 -0.02 0.00 0.00 39.34 37.31 1sxj n TYR 372 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1sxj s ASP 373 N -2.60 6.37 -0.13 7.72 2.15 -0.47 -4.46 116.67 125.25 1sxj s ASP 373 Ca 0.67 0.29 -0.05 0.00 0.43 0.00 0.00 52.55 53.89 1sxj s ASP 373 Cb -0.23 -1.97 -0.04 0.00 -0.30 0.00 0.00 42.92 40.38 1sxj s ASP 373 CO 0.59 0.17 0.04 -0.63 -0.17 0.00 0.00 175.17 175.17 1sxj s ILE 374 N -1.51 4.65 -0.29 4.11 1.09 -1.26 -1.58 121.20 126.40 1sxj s ILE 374 Ca 0.35 -0.10 0.01 0.00 -1.10 0.00 0.00 60.65 59.81 1sxj s ILE 374 Cb -0.13 -3.03 0.09 0.00 -1.06 0.00 0.00 42.46 38.33 1sxj s ILE 374 CO 0.28 0.54 0.05 -0.22 -0.10 0.00 0.00 174.94 175.48 1sxj s LEU 375 N -0.32 2.94 0.26 2.97 2.96 -0.86 -4.94 118.68 121.69 1sxj s LEU 375 Ca 0.08 -1.62 0.11 0.00 -0.22 0.00 0.00 54.13 52.47 1sxj s LEU 375 Cb -0.12 -1.13 -0.05 0.00 0.50 0.00 0.00 46.19 45.39 1sxj s LEU 375 CO 0.02 -0.36 -0.10 -1.83 -1.32 0.00 0.00 176.35 172.76 1sxj s GLU 376 N 1.39 1.99 0.10 1.98 -1.05 -1.26 -1.72 118.70 120.14 1sxj s GLU 376 Ca 0.06 -1.56 -0.09 0.00 -0.15 0.00 0.00 54.97 53.23 1sxj s GLU 376 Cb -0.18 -1.98 -0.00 0.00 -0.44 0.00 0.00 34.13 31.52 1sxj s GLU 376 CO -0.15 0.36 0.20 -0.65 0.95 0.00 0.00 175.26 175.97 1sxj s GLN 377 N -3.52 0.90 0.07 -4.83 -0.21 -0.52 -4.96 119.66 106.59 1sxj s GLN 377 Ca 0.30 -1.01 -0.02 0.00 0.02 0.00 0.00 55.36 54.65 1sxj s GLN 377 Cb -0.06 0.35 0.01 0.00 1.00 0.00 0.00 33.01 34.30 1sxj s GLN 377 CO 0.17 -0.29 0.13 0.27 -2.12 0.00 0.00 175.29 173.45 1sxj n ASN 378 N -0.09 -0.38 0.33 5.90 0.23 -1.26 -0.36 115.26 119.62 1sxj n ASN 378 Ca -0.13 -1.34 0.21 0.00 -0.53 0.00 0.00 54.58 52.79 1sxj n ASN 378 Cb 0.63 0.66 1.12 0.00 -2.08 0.00 0.00 39.78 40.10 1sxj n ASN 378 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1sxj h ALA 379 N 1.83 1.12 0.00 -2.53 0.00 -1.71 -1.34 119.26 116.63 1sxj h ALA 379 Ca -0.06 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1sxj h ALA 379 Cb 0.24 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1sxj h ALA 379 CO 0.08 0.01 0.00 -1.13 0.00 0.00 0.00 179.25 178.21 1sxj n SER 380 N -3.26 0.00 -4.89 0.00 3.41 -1.26 -4.74 113.62 102.88 1sxj n SER 380 Ca -0.03 0.43 -0.23 0.00 -0.26 0.00 0.00 58.87 58.78 1sxj n SER 380 Cb 0.09 -0.47 -0.03 0.00 -0.26 0.00 0.00 64.21 63.53 1sxj n SER 380 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1sxj s ASP 381 N -2.95 5.94 -0.44 4.04 1.01 -0.51 -5.07 116.67 118.70 1sxj s ASP 381 Ca 0.13 -0.05 -0.22 0.00 0.71 0.00 0.00 52.55 53.12 1sxj s ASP 381 Cb 0.15 -1.65 0.02 0.00 1.01 0.00 0.00 42.92 42.45 1sxj s ASP 381 CO 0.42 -0.02 0.72 -0.69 0.21 0.00 0.00 175.17 175.81 1sxj s VAL 382 N -1.95 4.74 -0.60 -1.27 1.01 -1.26 -4.86 120.40 116.20 1sxj s VAL 382 Ca 0.33 0.30 0.03 0.00 0.00 0.00 0.00 61.98 62.63 1sxj s VAL 382 Cb -0.09 -4.26 0.39 0.00 0.00 0.00 0.00 36.38 32.41 1sxj s VAL 382 CO 0.27 -0.65 1.39 0.54 0.00 0.00 0.00 175.10 176.65 1sxj n ARG 383 N 6.48 3.33 -1.74 2.72 1.74 -1.26 -4.67 116.66 123.27 1sxj n ARG 383 Ca 0.00 -4.28 -0.31 0.00 -0.77 0.00 0.00 57.85 52.49 1sxj n ARG 383 Cb 0.48 -2.27 0.03 0.00 -1.02 0.00 0.00 32.46 29.68 1sxj n ARG 383 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1sxj s SER 384 N -2.72 5.78 0.25 0.55 1.04 -1.26 -4.11 113.70 113.23 1sxj s SER 384 Ca 0.49 1.55 -0.03 0.00 0.48 0.00 0.00 55.95 58.44 1sxj s SER 384 Cb 0.39 -2.49 0.50 0.00 0.10 0.00 0.00 66.02 64.52 1sxj s SER 384 CO -0.25 -1.18 1.74 0.50 0.98 0.00 0.00 173.24 175.04 1sxj h LYS 385 N -0.46 0.49 0.53 4.02 3.64 -1.36 0.35 116.57 123.78 1sxj h LYS 385 Ca -0.44 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 58.89 1sxj h LYS 385 Cb 1.20 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.91 1sxj h LYS 385 CO 0.59 0.33 -0.35 1.15 -2.27 0.00 0.00 179.45 178.90 1sxj h THR 386 N 0.51 0.00 -0.58 1.00 2.02 -1.92 -0.84 112.91 113.10 1sxj h THR 386 Ca 0.44 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.61 1sxj h THR 386 Cb 0.66 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.04 1sxj h THR 386 CO -0.39 0.00 0.31 -0.07 0.37 0.00 0.00 175.52 175.74 1sxj h LEU 387 N -0.83 0.71 -0.36 2.58 3.38 -1.81 -1.51 115.31 117.47 1sxj h LEU 387 Ca -0.07 -0.05 0.05 0.00 0.09 0.00 0.00 57.88 57.90 1sxj h LEU 387 Cb 0.67 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.20 1sxj h LEU 387 CO 0.06 0.58 0.08 0.25 0.09 0.00 0.00 178.44 179.49 1sxj h LEU 388 N 0.80 0.03 -0.25 1.67 5.85 -0.17 0.26 115.31 123.51 1sxj h LEU 388 Ca 0.21 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.98 1sxj h LEU 388 Cb 0.03 0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.13 1sxj h LEU 388 CO -0.03 0.06 0.00 0.59 -0.34 0.00 0.00 178.44 178.71 1sxj n ASN 389 N -5.08 0.49 -0.59 1.25 3.02 -0.33 -2.05 115.26 111.97 1sxj n ASN 389 Ca 0.01 0.58 0.08 0.00 -0.03 0.00 0.00 54.58 55.23 1sxj n ASN 389 Cb 0.15 -0.70 0.05 0.00 -0.61 0.00 0.00 39.78 38.68 1sxj n ASN 389 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sxj n ALA 390 N -1.69 2.62 -2.00 5.41 0.00 -0.52 -4.66 120.51 119.67 1sxj n ALA 390 Ca 0.04 -0.61 0.00 0.00 0.00 0.00 0.00 53.44 52.87 1sxj n ALA 390 Cb 0.30 -0.55 0.00 0.00 0.00 0.00 0.00 19.45 19.20 1sxj n ALA 390 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sxj n GLY 391 N 0.97 1.34 0.43 0.00 0.00 0.81 -4.93 105.19 103.82 1sxj n GLY 391 Ca 0.09 -0.05 0.24 0.00 0.00 0.00 0.00 46.02 46.30 1sxj n GLY 391 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1sxj h VAL 392 N 0.00 0.58 -1.30 1.61 -1.51 -1.76 -1.22 116.25 112.66 1sxj h VAL 392 Ca 0.00 -0.08 0.38 0.00 -1.23 0.00 0.00 66.70 65.77 1sxj h VAL 392 Cb 0.00 0.32 -0.09 0.00 -2.13 0.00 0.00 31.29 29.39 1sxj h VAL 392 CO 0.00 0.04 0.88 0.50 -1.23 0.00 0.00 177.57 177.76 1sxj h LYS 393 N 0.24 0.13 0.00 5.19 3.64 -1.68 0.78 116.57 124.87 1sxj h LYS 393 Ca 0.49 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.86 1sxj h LYS 393 Cb 1.50 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.29 1sxj h LYS 393 CO -0.13 0.09 0.00 -0.91 -2.27 0.00 0.00 179.45 176.23 1sxj h ASN 394 N 0.14 0.00 -0.02 4.20 2.35 -1.51 -3.09 115.58 117.65 1sxj h ASN 394 Ca 0.71 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.46 1sxj h ASN 394 Cb 2.37 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.74 1sxj h ASN 394 CO -0.23 0.00 -0.43 0.00 -1.65 0.00 0.00 177.43 175.12 1sxj n ALA 395 N -1.93 3.45 0.24 -0.83 0.00 0.27 -4.24 120.51 117.47 1sxj n ALA 395 Ca 0.03 -0.65 0.13 0.00 0.00 0.00 0.00 53.44 52.95 1sxj n ALA 395 Cb 0.37 -0.79 0.77 0.00 0.00 0.00 0.00 19.45 19.80 1sxj n ALA 395 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1sxj h LEU 396 N 2.69 0.00 -3.38 0.00 3.38 -1.40 -2.65 115.31 113.94 1sxj h LEU 396 Ca 0.00 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.81 1sxj h LEU 396 Cb 0.79 0.00 -0.25 0.00 0.09 0.00 0.00 40.66 41.29 1sxj h LEU 396 CO 0.00 0.00 -0.81 -0.90 0.09 0.00 0.00 178.44 176.82 1sxj n ASP 397 N -4.16 1.83 -4.59 -0.43 3.85 -1.26 -2.22 116.55 109.57 1sxj n ASP 397 Ca -0.01 -2.96 -0.27 0.00 -0.71 0.00 0.00 54.79 50.84 1sxj n ASP 397 Cb 0.17 -0.42 -0.11 0.00 -1.35 0.00 0.00 41.12 39.42 1sxj n ASP 397 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.20 176.40 1sxj s ASN 398 N -2.90 3.73 0.28 -1.12 2.47 -1.00 -5.10 114.94 111.31 1sxj s ASN 398 Ca 0.37 -1.33 0.11 0.00 0.42 0.00 0.00 52.86 52.43 1sxj s ASN 398 Cb 0.38 -0.37 -0.05 0.00 -1.45 0.00 0.00 41.25 39.76 1sxj s ASN 398 CO -0.09 -0.40 -0.13 0.00 -3.72 0.00 0.00 177.10 172.76 1sxj s MET 399 N -3.70 1.87 0.08 0.43 0.23 -1.26 -4.54 119.30 112.41 1sxj s MET 399 Ca 0.34 -1.69 -0.31 0.00 -1.03 0.00 0.00 55.69 53.01 1sxj s MET 399 Cb 0.08 -1.88 -0.08 0.00 -1.53 0.00 0.00 34.83 31.42 1sxj s MET 399 CO 0.17 0.32 1.53 -1.12 -2.03 0.00 0.00 175.02 173.89 1sxj s SER 400 N -3.57 6.69 0.42 -1.18 0.01 -1.21 -4.88 113.70 109.98 1sxj s SER 400 Ca 0.31 2.40 0.23 0.00 1.31 0.00 0.00 55.95 60.20 1sxj s SER 400 Cb -0.05 -2.57 0.74 0.00 0.21 0.00 0.00 66.02 64.35 1sxj s SER 400 CO 0.17 -0.79 1.75 1.62 0.41 0.00 0.00 173.24 176.39 1sxj h VAL 401 N 4.56 0.56 0.00 3.43 3.04 -1.94 -1.40 116.25 124.49 1sxj h VAL 401 Ca -0.42 -1.29 -0.13 0.00 -1.01 0.00 0.00 66.70 63.86 1sxj h VAL 401 Cb 1.20 1.89 -0.02 0.00 -2.01 0.00 0.00 31.29 32.35 1sxj h VAL 401 CO 0.91 0.25 -0.64 -0.37 -1.01 0.00 0.00 177.57 176.70 1sxj h VAL 402 N 0.00 0.98 0.00 1.51 -1.51 -1.92 -3.19 116.25 112.12 1sxj h VAL 402 Ca -0.00 -2.40 0.00 0.00 -1.23 0.00 0.00 66.70 63.06 1sxj h VAL 402 Cb 0.87 2.47 0.00 0.00 -2.13 0.00 0.00 31.29 32.50 1sxj h VAL 402 CO 0.03 0.56 0.00 0.61 -1.23 0.00 0.00 177.57 177.54 1sxj n GLY 403 N 1.26 -0.64 0.11 5.19 0.00 -0.53 -2.75 105.19 107.83 1sxj n GLY 403 Ca 0.01 0.04 -0.22 0.00 0.00 0.00 0.00 46.02 45.84 1sxj n GLY 403 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1sxj n TYR 404 N -1.67 0.44 0.93 1.61 4.02 -1.20 -3.84 117.16 117.45 1sxj n TYR 404 Ca 0.00 0.19 0.00 0.00 -0.01 0.00 0.00 57.90 58.08 1sxj n TYR 404 Cb 0.03 -0.95 0.00 0.00 -0.02 0.00 0.00 39.34 38.40 1sxj n TYR 404 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 1sxj n PHE 405 N -4.37 0.00 0.07 -0.72 3.01 -1.13 -0.89 117.46 113.42 1sxj n PHE 405 Ca -0.38 0.00 0.01 0.00 1.01 0.00 0.00 57.45 58.10 1sxj n PHE 405 Cb 0.71 -0.01 -0.02 0.00 -0.01 0.00 0.00 39.48 40.16 1sxj n PHE 405 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1sxj n LYS 406 N -0.41 3.04 -3.63 -1.08 4.76 -1.11 -5.11 118.16 114.62 1sxj n LYS 406 Ca 0.00 -0.01 -0.37 0.00 -2.87 0.00 0.00 58.31 55.05 1sxj n LYS 406 Cb 0.02 -0.86 -0.06 0.00 -1.84 0.00 0.00 35.03 32.28 1sxj n LYS 406 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 1sxj s HIS 407 N -1.75 3.61 -0.34 2.13 2.46 -0.07 -4.99 115.29 116.34 1sxj s HIS 407 Ca -0.00 0.72 -0.11 0.00 0.47 0.00 0.00 55.06 56.15 1sxj s HIS 407 Cb 0.02 -2.19 0.00 0.00 -0.13 0.00 0.00 32.58 30.28 1sxj s HIS 407 CO 0.13 0.55 0.19 1.14 -2.47 0.00 0.00 174.74 174.27 1sxj s GLN 412 N -0.59 3.22 -0.08 2.88 -2.07 -1.26 -4.98 119.66 116.79 1sxj s GLN 412 Ca 0.19 -0.81 -0.20 0.00 -1.82 0.00 0.00 55.36 52.72 1sxj s GLN 412 Cb -0.14 -3.66 -0.04 0.00 -1.09 0.00 0.00 33.01 28.07 1sxj s GLN 412 CO 0.07 -0.50 0.54 -0.80 -1.32 0.00 0.00 175.29 173.28 1sxj s ASN 413 N 1.62 6.81 -0.01 12.60 0.01 -1.26 -4.96 114.94 129.75 1sxj s ASN 413 Ca 0.04 0.96 0.21 0.00 -0.71 0.00 0.00 52.86 53.37 1sxj s ASN 413 Cb -0.18 -2.33 -0.25 0.00 0.41 0.00 0.00 41.25 38.91 1sxj s ASN 413 CO 0.07 0.00 0.78 0.18 -1.51 0.00 0.00 177.10 176.63 1sxj n LEU 414 N 3.47 0.67 0.00 0.60 4.77 -1.26 -4.44 117.00 120.81 1sxj n LEU 414 Ca -0.06 -0.32 0.00 0.00 -0.03 0.00 0.00 56.01 55.60 1sxj n LEU 414 Cb 0.51 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 1sxj n LEU 414 CO 0.44 0.16 -0.02 0.59 -1.33 0.00 0.00 177.39 177.24 1sxj n ASN 415 N -1.75 0.15 -0.63 -1.43 3.02 -1.26 -4.80 115.26 108.57 1sxj n ASN 415 Ca 0.01 -0.35 0.47 0.00 -0.03 0.00 0.00 54.58 54.68 1sxj n ASN 415 Cb 0.41 0.74 0.72 0.00 -0.61 0.00 0.00 39.78 41.04 1sxj n ASN 415 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sxj n GLY 416 N 0.79 -0.87 2.11 7.41 0.00 -1.14 0.15 105.19 113.63 1sxj n GLY 416 Ca 0.00 0.62 -0.19 0.00 0.00 0.00 0.00 46.02 46.45 1sxj n GLY 416 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1sxj n LYS 417 N -3.73 2.54 -4.10 1.61 5.02 -1.26 -3.78 118.16 114.47 1sxj n LYS 417 Ca 0.39 -3.04 -0.14 0.00 -2.02 0.00 0.00 58.31 53.50 1sxj n LYS 417 Cb 1.78 -2.16 -0.11 0.00 -0.02 0.00 0.00 35.03 34.51 1sxj n LYS 417 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1sxj s HIS 418 N -3.23 0.83 0.17 2.13 3.76 0.40 -3.33 115.29 116.02 1sxj s HIS 418 Ca 0.56 -0.51 -0.01 0.00 -0.15 0.00 0.00 55.06 54.95 1sxj s HIS 418 Cb 0.47 -0.48 -0.04 0.00 1.11 0.00 0.00 32.58 33.63 1sxj s HIS 418 CO 0.11 -0.05 0.35 -0.06 -0.85 0.00 0.00 174.74 174.24 1sxj s PHE 419 N -1.47 3.49 -0.19 1.40 2.99 -1.26 -1.36 117.98 121.57 1sxj s PHE 419 Ca -0.07 0.33 -0.01 0.00 0.00 0.00 0.00 56.93 57.18 1sxj s PHE 419 Cb -0.09 -1.83 0.05 0.00 0.00 0.00 0.00 43.02 41.14 1sxj s PHE 419 CO 0.01 0.44 -0.04 0.08 -0.00 0.00 0.00 175.22 175.71 1sxj s VAL 420 N -1.77 1.12 -0.31 -0.44 1.01 -0.62 -3.86 120.40 115.54 1sxj s VAL 420 Ca 0.38 -0.79 -0.21 0.00 0.00 0.00 0.00 61.98 61.36 1sxj s VAL 420 Cb -0.11 -1.39 -0.01 0.00 0.00 0.00 0.00 36.38 34.87 1sxj s VAL 420 CO 0.28 -0.01 0.66 -0.63 0.00 0.00 0.00 175.10 175.40 1sxj s ILE 421 N 1.60 4.91 -0.51 2.22 1.09 -0.34 -2.03 121.20 128.14 1sxj s ILE 421 Ca -0.02 0.90 -0.12 0.00 -1.10 0.00 0.00 60.65 60.31 1sxj s ILE 421 Cb -0.17 -4.03 0.13 0.00 -1.06 0.00 0.00 42.46 37.33 1sxj s ILE 421 CO -0.07 -0.18 0.42 -0.63 -0.10 0.00 0.00 174.94 174.38 1sxj s ILE 422 N 2.68 4.60 -0.83 2.92 1.09 -0.70 0.13 121.20 131.09 1sxj s ILE 422 Ca 0.26 -1.73 -0.20 0.00 -1.10 0.00 0.00 60.65 57.88 1sxj s ILE 422 Cb -0.15 -3.99 0.11 0.00 -1.06 0.00 0.00 42.46 37.37 1sxj s ILE 422 CO 0.12 -0.82 1.06 -0.04 -0.10 0.00 0.00 174.94 175.17 1sxj s MET 423 N 1.38 3.43 0.64 2.79 -1.94 0.90 -1.44 119.30 125.06 1sxj s MET 423 Ca 0.05 -1.45 -0.06 0.00 -1.71 0.00 0.00 55.69 52.53 1sxj s MET 423 Cb -0.27 -4.69 0.04 0.00 2.01 0.00 0.00 34.83 31.92 1sxj s MET 423 CO 0.00 -1.78 0.95 0.34 -0.01 0.00 0.00 175.02 174.52 1sxj s ASP 424 N 3.68 5.17 -1.09 3.03 -1.08 0.52 -2.12 116.67 124.78 1sxj s ASP 424 Ca 0.29 0.52 -0.29 0.00 -0.52 0.00 0.00 52.55 52.55 1sxj s ASP 424 Cb -0.09 -1.33 0.04 0.00 -1.46 0.00 0.00 42.92 40.08 1sxj s ASP 424 CO -0.03 -1.34 0.55 -0.62 0.52 0.00 0.00 175.17 174.24 1sxj n GLU 425 N -2.73 -0.35 0.16 4.34 1.02 -1.04 -4.11 120.64 117.93 1sxj n GLU 425 Ca 0.07 -0.02 0.04 0.00 -0.02 0.00 0.00 57.16 57.23 1sxj n GLU 425 Cb 0.59 -2.09 0.12 0.00 -0.02 0.00 0.00 31.44 30.05 1sxj n GLU 425 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1sxj h VAL 426 N -1.91 0.81 -0.25 2.62 2.07 -1.40 -3.04 116.25 115.15 1sxj h VAL 426 Ca -0.62 -1.97 -0.03 0.00 0.82 0.00 0.00 66.70 64.90 1sxj h VAL 426 Cb 1.23 2.27 -0.02 0.00 -1.52 0.00 0.00 31.29 33.25 1sxj h VAL 426 CO 0.47 0.43 0.04 -0.90 0.02 0.00 0.00 177.57 177.63 1sxj n ASP 427 N -3.29 2.92 -0.08 0.57 5.75 -1.26 -2.82 116.55 118.34 1sxj n ASP 427 Ca 0.01 -2.41 0.01 0.00 -0.01 0.00 0.00 54.79 52.40 1sxj n ASP 427 Cb 0.66 -0.58 0.01 0.00 -1.03 0.00 0.00 41.12 40.18 1sxj n ASP 427 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1sxj n GLY 428 N 0.18 -1.19 3.58 6.12 0.00 -1.15 -4.96 105.19 107.78 1sxj n GLY 428 Ca 0.13 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1sxj n GLY 428 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1sxj s MET 429 N -0.22 3.22 0.00 1.61 -1.94 -1.13 -4.94 119.30 115.90 1sxj s MET 429 Ca 0.02 0.91 0.00 0.00 -1.71 0.00 0.00 55.69 54.91 1sxj s MET 429 Cb 0.02 -4.18 0.00 0.00 2.01 0.00 0.00 34.83 32.67 1sxj s MET 429 CO 0.03 -2.01 0.00 -1.13 -0.01 0.00 0.00 175.02 171.90 1sxj n SER 430 N 10.34 0.00 0.00 3.03 3.41 -1.26 -4.85 113.62 124.29 1sxj n SER 430 Ca 0.18 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 58.85 1sxj n SER 430 Cb 0.49 0.00 0.26 0.00 -0.26 0.00 0.00 64.21 64.70 1sxj n SER 430 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1sxj n GLY 431 N 5.00 -0.63 0.62 5.00 0.00 -1.26 -1.22 105.19 112.69 1sxj n GLY 431 Ca 0.00 -0.05 0.07 0.00 0.00 0.00 0.00 46.02 46.04 1sxj n GLY 431 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sxj n GLY 432 N -0.40 0.53 2.20 -0.02 0.00 -1.26 -4.11 105.19 102.13 1sxj n GLY 432 Ca 0.05 -0.39 -0.18 0.00 0.00 0.00 0.00 46.02 45.50 1sxj n GLY 432 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sxj n ASP 433 N 0.46 0.74 -4.68 1.61 9.92 -0.36 -4.40 116.55 119.85 1sxj n ASP 433 Ca 0.13 -3.03 -0.46 0.00 -0.53 0.00 0.00 54.79 50.90 1sxj n ASP 433 Cb 0.30 -0.55 -0.04 0.00 -0.64 0.00 0.00 41.12 40.19 1sxj n ASP 433 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1sxj n ARG 434 N 0.29 2.38 -0.97 -1.24 1.74 -1.26 -0.94 116.66 116.67 1sxj n ARG 434 Ca 0.24 0.87 0.00 0.00 -0.77 0.00 0.00 57.85 58.20 1sxj n ARG 434 Cb 0.66 -2.73 0.00 0.00 -1.02 0.00 0.00 32.46 29.37 1sxj n ARG 434 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1sxj n GLY 435 N 4.25 0.28 0.19 -0.13 0.00 -1.26 -1.27 105.19 107.25 1sxj n GLY 435 Ca 0.21 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.12 1sxj n GLY 435 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1sxj h GLY 436 N 0.00 -0.16 0.83 -0.02 0.00 -1.19 -1.44 103.07 101.09 1sxj h GLY 436 Ca 0.00 0.17 0.03 0.00 0.00 0.00 0.00 47.33 47.53 1sxj h GLY 436 CO 0.00 -0.14 0.40 -2.08 0.00 0.00 0.00 176.54 174.72 1sxj h VAL 437 N -0.23 1.06 0.28 4.60 2.07 -1.85 0.13 116.25 122.31 1sxj h VAL 437 Ca 0.06 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 1sxj h VAL 437 Cb 0.30 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 1sxj h VAL 437 CO -0.16 0.14 -0.18 1.23 0.02 0.00 0.00 177.57 178.63 1sxj h GLY 438 N 0.78 -0.46 1.33 2.17 0.00 -1.87 0.42 103.07 105.45 1sxj h GLY 438 Ca 0.27 0.20 -0.03 0.00 0.00 0.00 0.00 47.33 47.77 1sxj h GLY 438 CO -0.12 -0.18 0.27 -1.61 0.00 0.00 0.00 176.54 174.89 1sxj h GLN 439 N -0.45 0.86 -0.53 4.80 5.75 -1.03 -1.00 115.11 123.51 1sxj h GLN 439 Ca -0.03 -0.12 -0.11 0.00 -0.15 0.00 0.00 58.65 58.24 1sxj h GLN 439 Cb 0.38 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 28.75 1sxj h GLN 439 CO 0.02 0.69 -0.11 1.25 -2.65 0.00 0.00 178.83 178.03 1sxj h LEU 440 N 0.86 1.01 -1.09 -2.39 5.85 -0.33 -1.94 115.31 117.28 1sxj h LEU 440 Ca 0.21 -0.33 -0.02 0.00 0.84 0.00 0.00 57.88 58.57 1sxj h LEU 440 Cb 0.13 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 40.88 1sxj h LEU 440 CO -0.02 1.12 -0.11 0.00 -0.34 0.00 0.00 178.44 179.09 1sxj h ALA 441 N 0.96 1.00 0.00 1.25 0.00 0.38 -2.51 119.26 120.35 1sxj h ALA 441 Ca 0.14 -0.10 -0.19 0.00 0.00 0.00 0.00 54.91 54.76 1sxj h ALA 441 Cb 0.67 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 1sxj h ALA 441 CO 0.05 0.13 -0.90 0.37 0.00 0.00 0.00 179.25 178.90 1sxj h GLN 442 N 0.00 0.00 -0.15 0.00 5.75 -0.61 -3.17 115.11 116.92 1sxj h GLN 442 Ca -0.00 0.00 -0.11 0.00 -0.15 0.00 0.00 58.65 58.39 1sxj h GLN 442 Cb 0.70 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.23 1sxj h GLN 442 CO 0.01 0.90 -0.37 0.74 -2.65 0.00 0.00 178.83 177.46 1sxj h PHE 443 N 0.00 0.38 0.00 3.99 0.05 -0.92 -2.52 116.94 117.93 1sxj h PHE 443 Ca -0.01 -0.10 0.00 0.00 3.82 0.00 0.00 57.97 61.68 1sxj h PHE 443 Cb 1.59 -0.09 0.00 0.00 2.00 0.00 0.00 35.95 39.46 1sxj h PHE 443 CO 0.00 0.66 0.01 0.00 -0.18 0.00 0.00 178.31 178.81 1sxj n ARG 445 N -2.32 1.06 -0.37 0.00 1.74 -0.96 -4.23 116.66 111.58 1sxj n ARG 445 Ca -0.02 0.00 0.08 0.00 -0.77 0.00 0.00 57.85 57.15 1sxj n ARG 445 Cb 0.05 -1.45 0.22 0.00 -1.02 0.00 0.00 32.46 30.26 1sxj n ARG 445 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1sxj n LYS 446 N -2.70 2.38 -2.37 5.56 5.02 -0.77 -5.01 118.16 120.27 1sxj n LYS 446 Ca -0.30 -2.80 -0.29 0.00 -2.02 0.00 0.00 58.31 52.91 1sxj n LYS 446 Cb 1.06 -1.75 0.00 0.00 -0.02 0.00 0.00 35.03 34.33 1sxj n LYS 446 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1sxj s THR 447 N -2.88 4.84 -0.09 -0.18 -1.32 -0.40 -4.98 115.64 110.63 1sxj s THR 447 Ca 0.40 0.44 0.13 0.00 -1.21 0.00 0.00 61.69 61.45 1sxj s THR 447 Cb 0.33 -3.87 0.21 0.00 -1.51 0.00 0.00 72.50 67.66 1sxj s THR 447 CO 0.06 -0.95 1.11 -1.20 -2.21 0.00 0.00 174.62 171.43 1sxj n SER 448 N -2.42 1.61 -3.82 8.08 7.64 -0.94 -5.03 113.62 118.74 1sxj n SER 448 Ca 0.02 -2.77 -0.11 0.00 1.01 0.00 0.00 58.87 57.03 1sxj n SER 448 Cb 0.55 -0.36 -0.08 0.00 -1.01 0.00 0.00 64.21 63.30 1sxj n SER 448 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1sxj s THR 449 N -1.99 0.10 0.30 0.44 -4.23 -1.19 -4.86 115.64 104.21 1sxj s THR 449 Ca 0.23 -0.83 -0.29 0.00 -1.18 0.00 0.00 61.69 59.61 1sxj s THR 449 Cb 0.20 -0.90 -0.13 0.00 1.34 0.00 0.00 72.50 73.01 1sxj s THR 449 CO 0.02 -0.46 1.27 -2.65 -0.54 0.00 0.00 174.62 172.26 1sxj n PRO 450 N 0.69 1.94 -3.88 3.99 -0.02 -1.25 -4.86 135.00 131.61 1sxj n PRO 450 Ca -0.19 0.68 -0.26 0.00 -2.02 0.00 0.00 63.50 61.71 1sxj n PRO 450 Cb 0.59 -2.25 -0.17 0.00 -0.02 0.00 0.00 33.50 31.65 1sxj n PRO 450 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1sxj s LEU 451 N -0.41 1.16 -0.18 2.45 2.96 -1.25 -1.19 118.68 122.22 1sxj s LEU 451 Ca 0.60 -0.33 -0.00 0.00 -0.22 0.00 0.00 54.13 54.18 1sxj s LEU 451 Cb -0.62 -0.79 0.01 0.00 0.50 0.00 0.00 46.19 45.28 1sxj s LEU 451 CO 0.58 -0.14 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.69 1sxj s ILE 452 N 1.74 2.54 -0.09 6.68 1.01 0.34 -0.97 121.20 132.45 1sxj s ILE 452 Ca 0.04 -0.79 0.01 0.00 0.00 0.00 0.00 60.65 59.91 1sxj s ILE 452 Cb -0.13 -2.09 -0.02 0.00 0.01 0.00 0.00 42.46 40.23 1sxj s ILE 452 CO -0.08 0.51 -0.12 -0.76 0.00 0.00 0.00 174.94 174.49 1sxj s LEU 453 N 1.13 2.84 0.03 2.97 1.02 -0.24 -0.07 118.68 126.36 1sxj s LEU 453 Ca 0.01 -0.21 0.09 0.00 0.02 0.00 0.00 54.13 54.03 1sxj s LEU 453 Cb -0.14 -1.62 -0.03 0.00 0.02 0.00 0.00 46.19 44.43 1sxj s LEU 453 CO -0.06 0.27 -0.25 -0.63 0.02 0.00 0.00 176.35 175.70 1sxj s ILE 454 N -0.27 2.02 0.28 -0.59 1.09 -0.90 0.90 121.20 123.74 1sxj s ILE 454 Ca 0.02 -1.27 -0.15 0.00 -1.10 0.00 0.00 60.65 58.15 1sxj s ILE 454 Cb -0.13 -1.72 0.01 0.00 -1.06 0.00 0.00 42.46 39.56 1sxj s ILE 454 CO 0.03 0.40 0.60 0.00 -0.10 0.00 0.00 174.94 175.87 1sxj n ASN 456 N -0.62 1.34 -3.92 0.00 4.13 -1.26 -2.46 115.26 112.47 1sxj n ASN 456 Ca -0.03 -0.07 -0.30 0.00 1.68 0.00 0.00 54.58 55.86 1sxj n ASN 456 Cb 0.61 0.23 -0.14 0.00 -1.54 0.00 0.00 39.78 38.93 1sxj n ASN 456 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1sxj s GLU 457 N -2.47 1.54 0.32 3.52 2.02 -1.26 -3.65 118.70 118.72 1sxj s GLU 457 Ca -0.22 -2.06 0.11 0.00 0.02 0.00 0.00 54.97 52.81 1sxj s GLU 457 Cb 0.07 -2.98 0.55 0.00 0.10 0.00 0.00 34.13 31.87 1sxj s GLU 457 CO 0.65 -1.04 1.73 -0.09 0.02 0.00 0.00 175.26 176.54 1sxj h ARG 458 N 7.15 0.05 -0.97 1.61 9.65 -1.95 -3.20 114.38 126.72 1sxj h ARG 458 Ca -0.06 -0.03 -0.10 0.00 -1.10 0.00 0.00 59.98 58.69 1sxj h ARG 458 Cb 0.96 0.00 -0.06 0.00 -1.39 0.00 0.00 29.97 29.48 1sxj h ARG 458 CO 0.57 0.50 0.13 0.09 2.80 0.00 0.00 179.97 184.06 1sxj n ASN 459 N -3.99 2.94 -4.93 -3.80 5.03 -1.26 -4.78 115.26 104.47 1sxj n ASN 459 Ca -0.02 -2.37 -0.25 0.00 0.87 0.00 0.00 54.58 52.81 1sxj n ASN 459 Cb 0.49 -0.58 -0.00 0.00 -1.02 0.00 0.00 39.78 38.67 1sxj n ASN 459 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1sxj s LEU 460 N -0.82 3.80 0.16 3.41 1.43 -1.21 -5.01 118.68 120.44 1sxj s LEU 460 Ca 0.15 0.57 -0.12 0.00 -1.03 0.00 0.00 54.13 53.69 1sxj s LEU 460 Cb 0.12 -3.46 0.04 0.00 0.03 0.00 0.00 46.19 42.92 1sxj s LEU 460 CO 0.03 -0.48 1.66 -0.65 0.23 0.00 0.00 176.35 177.13 1sxj h PRO 461 N 0.49 0.86 0.00 1.29 0.11 -1.93 -2.53 132.00 130.29 1sxj h PRO 461 Ca -0.48 -0.22 -0.01 0.00 0.11 0.00 0.00 66.00 65.40 1sxj h PRO 461 Cb 1.22 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 1sxj h PRO 461 CO 0.61 0.83 -0.05 0.87 -0.21 0.00 0.00 178.00 180.04 1sxj h LYS 462 N 0.75 0.00 -0.01 1.05 1.57 -1.96 -1.93 116.57 116.04 1sxj h LYS 462 Ca 0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1sxj h LYS 462 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1sxj h LYS 462 CO 0.01 0.05 -0.28 -1.33 -0.57 0.00 0.00 179.45 177.33 1sxj n MET 463 N -3.68 1.01 -0.22 3.15 2.81 -0.97 -4.50 117.12 114.72 1sxj n MET 463 Ca -0.02 -0.67 -0.01 0.00 -1.81 0.00 0.00 57.70 55.18 1sxj n MET 463 Cb 0.16 -1.49 0.06 0.00 -0.71 0.00 0.00 33.22 31.24 1sxj n MET 463 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 1sxj h ARG 464 N 1.64 -0.04 0.00 0.03 9.65 -1.13 -0.90 114.38 123.63 1sxj h ARG 464 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1sxj h ARG 464 Cb 0.57 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.16 1sxj h ARG 464 CO 0.00 -0.02 0.18 -2.30 2.80 0.00 0.00 179.97 180.63 1sxj n PRO 465 N -5.44 0.00 0.03 0.20 -0.02 -1.26 -0.98 135.00 127.53 1sxj n PRO 465 Ca 0.07 0.33 0.11 0.00 -2.02 0.00 0.00 63.50 61.99 1sxj n PRO 465 Cb 0.34 -1.69 -0.11 0.00 -0.02 0.00 0.00 33.50 32.02 1sxj n PRO 465 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1sxj n PHE 466 N -1.34 0.34 0.00 6.00 0.99 -0.34 -4.75 117.46 118.36 1sxj n PHE 466 Ca -0.00 0.10 0.00 0.00 -0.00 0.00 0.00 57.45 57.55 1sxj n PHE 466 Cb 0.18 -0.67 0.00 0.00 -1.00 0.00 0.00 39.48 38.00 1sxj n PHE 466 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.76 176.51 1sxj n ASP 467 N -2.41 0.00 0.16 4.37 8.00 -0.15 -2.32 116.55 124.20 1sxj n ASP 467 Ca -0.03 0.04 0.13 0.00 0.71 0.00 0.00 54.79 55.64 1sxj n ASP 467 Cb 0.57 0.00 0.55 0.00 -0.02 0.00 0.00 41.12 42.22 1sxj n ASP 467 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1sxj h ARG 468 N 0.00 0.00 0.00 -1.24 3.08 -1.87 -3.32 114.38 111.02 1sxj h ARG 468 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1sxj h ARG 468 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1sxj h ARG 468 CO 0.00 0.00 0.00 1.33 -1.07 0.00 0.00 179.97 180.23 1sxj n VAL 469 N -2.39 0.43 -3.80 2.04 0.24 -0.98 -4.94 118.33 108.92 1sxj n VAL 469 Ca 0.01 -0.01 -0.10 0.00 -2.04 0.00 0.00 64.34 62.21 1sxj n VAL 469 Cb 0.21 -0.68 -0.05 0.00 -1.47 0.00 0.00 33.84 31.85 1sxj n VAL 469 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1sxj s LEU 471 N -2.89 3.28 -0.36 0.00 2.96 -0.39 -4.79 118.68 116.50 1sxj s LEU 471 Ca 0.10 0.12 -0.17 0.00 -0.22 0.00 0.00 54.13 53.96 1sxj s LEU 471 Cb 0.01 -2.70 -0.00 0.00 0.50 0.00 0.00 46.19 44.00 1sxj s LEU 471 CO -0.04 -2.03 0.47 1.51 -1.32 0.00 0.00 176.35 174.93 1sxj s ASP 472 N 5.82 6.26 -0.19 3.68 3.84 -1.26 0.02 116.67 134.84 1sxj s ASP 472 Ca 0.54 -0.17 -0.08 0.00 -0.00 0.00 0.00 52.55 52.84 1sxj s ASP 472 Cb -0.11 -2.24 -0.04 0.00 -1.38 0.00 0.00 42.92 39.14 1sxj s ASP 472 CO 0.20 -0.46 0.09 0.27 -0.00 0.00 0.00 175.17 175.27 1sxj s ILE 473 N 2.27 5.00 0.10 2.11 -4.36 -0.97 -4.92 121.20 120.44 1sxj s ILE 473 Ca 0.16 0.04 -0.11 0.00 -0.26 0.00 0.00 60.65 60.48 1sxj s ILE 473 Cb -0.16 -3.27 -0.06 0.00 1.25 0.00 0.00 42.46 40.22 1sxj s ILE 473 CO 0.13 0.45 0.45 -1.58 0.24 0.00 0.00 174.94 174.63 1sxj s GLN 474 N 0.37 3.82 -0.12 0.37 0.74 -1.26 -3.20 119.66 120.38 1sxj s GLN 474 Ca 0.05 0.26 0.03 0.00 0.05 0.00 0.00 55.36 55.75 1sxj s GLN 474 Cb -0.12 -2.96 0.01 0.00 1.10 0.00 0.00 33.01 31.04 1sxj s GLN 474 CO -0.01 0.53 -0.21 -0.06 -0.55 0.00 0.00 175.29 174.99 1sxj s PHE 475 N -1.44 2.50 0.55 1.67 0.40 -0.52 -4.75 117.98 116.39 1sxj s PHE 475 Ca 0.35 -1.18 0.08 0.00 -0.60 0.00 0.00 56.93 55.58 1sxj s PHE 475 Cb -0.14 -1.71 0.06 0.00 0.51 0.00 0.00 43.02 41.74 1sxj s PHE 475 CO 0.19 -0.53 0.59 -0.98 0.70 0.00 0.00 175.22 175.19 1sxj s ARG 476 N 0.69 2.31 -0.15 0.44 3.03 -1.26 -4.34 118.95 119.67 1sxj s ARG 476 Ca -0.11 -1.80 -0.29 0.00 2.03 0.00 0.00 55.73 55.57 1sxj s ARG 476 Cb -0.16 -2.39 -0.04 0.00 -1.03 0.00 0.00 34.95 31.32 1sxj s ARG 476 CO 0.01 -0.70 1.75 1.03 -1.13 0.00 0.00 175.30 176.26 1sxj s ARG 477 N -4.46 3.83 0.99 3.89 0.52 -1.26 -4.82 118.95 117.65 1sxj s ARG 477 Ca 0.49 1.94 -0.17 0.00 -0.52 0.00 0.00 55.73 57.47 1sxj s ARG 477 Cb -0.04 -4.09 -0.15 0.00 0.52 0.00 0.00 34.95 31.19 1sxj s ARG 477 CO 0.30 -1.27 -0.81 -2.30 0.02 0.00 0.00 175.30 171.25 1sxj n PRO 478 N 7.68 0.00 -2.87 3.54 -0.02 -1.26 -4.89 135.00 137.18 1sxj n PRO 478 Ca 0.20 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 61.28 1sxj n PRO 478 Cb 0.44 -0.99 -0.05 0.00 -0.02 0.00 0.00 33.50 32.88 1sxj n PRO 478 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1sxj s ASP 479 N -0.99 7.41 0.25 2.55 -1.08 -1.26 -4.93 116.67 118.62 1sxj s ASP 479 Ca 0.40 1.68 -0.06 0.00 -0.52 0.00 0.00 52.55 54.05 1sxj s ASP 479 Cb -0.18 -2.53 0.46 0.00 -1.46 0.00 0.00 42.92 39.21 1sxj s ASP 479 CO 0.82 0.06 1.63 0.00 0.52 0.00 0.00 175.17 178.21 1sxj h ALA 480 N 5.08 0.82 -0.84 3.66 0.00 -1.99 0.18 119.26 126.17 1sxj h ALA 480 Ca -0.44 0.25 0.06 0.00 0.00 0.00 0.00 54.91 54.77 1sxj h ALA 480 Cb 1.21 0.42 -0.05 0.00 0.00 0.00 0.00 17.79 19.37 1sxj h ALA 480 CO 0.70 -0.43 0.55 -0.91 0.00 0.00 0.00 179.25 179.16 1sxj h ASN 481 N 0.10 0.85 -0.05 0.00 2.35 -1.97 0.93 115.58 117.78 1sxj h ASN 481 Ca 0.43 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 56.17 1sxj h ASN 481 Cb 0.76 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.94 1sxj h ASN 481 CO -0.68 0.56 0.02 0.28 -1.65 0.00 0.00 177.43 175.96 1sxj h SER 482 N 0.97 0.07 -0.17 5.81 0.02 -1.06 0.20 113.55 119.40 1sxj h SER 482 Ca 0.35 -0.14 -0.15 0.00 -0.84 0.00 0.00 61.79 61.02 1sxj h SER 482 Cb 0.16 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 1sxj h SER 482 CO -0.12 0.19 -0.43 0.40 -1.14 0.00 0.00 176.83 175.73 1sxj h ILE 483 N -0.05 1.29 -0.17 3.27 2.04 -0.67 -0.69 117.51 122.53 1sxj h ILE 483 Ca 0.02 -1.61 -0.02 0.00 1.00 0.00 0.00 64.86 64.25 1sxj h ILE 483 Cb 0.14 1.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.73 1sxj h ILE 483 CO -0.00 0.52 0.04 0.50 0.00 0.00 0.00 178.15 179.20 1sxj h LYS 484 N 0.58 0.28 0.07 2.37 3.64 1.00 0.23 116.57 124.73 1sxj h LYS 484 Ca 0.04 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1sxj h LYS 484 Cb 0.97 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.76 1sxj h LYS 484 CO 0.09 0.43 -0.03 1.03 -2.27 0.00 0.00 179.45 178.69 1sxj h SER 485 N 0.08 -0.08 -0.06 4.20 0.87 -0.54 -1.06 113.55 116.95 1sxj h SER 485 Ca 0.05 -0.01 0.03 0.00 -1.23 0.00 0.00 61.79 60.63 1sxj h SER 485 Cb 0.27 0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.22 1sxj h SER 485 CO 0.00 -0.05 -0.12 -0.09 -0.53 0.00 0.00 176.83 176.05 1sxj h ARG 486 N -0.11 -0.16 -0.99 2.24 9.65 -0.99 -1.79 114.38 122.23 1sxj h ARG 486 Ca -0.01 0.01 0.09 0.00 -1.10 0.00 0.00 59.98 58.97 1sxj h ARG 486 Cb 0.09 0.04 -0.07 0.00 -1.39 0.00 0.00 29.97 28.63 1sxj h ARG 486 CO 0.02 -0.11 0.63 -0.07 2.80 0.00 0.00 179.97 183.24 1sxj h LEU 487 N -0.17 0.98 0.59 3.80 3.38 -0.38 -1.72 115.31 121.79 1sxj h LEU 487 Ca 0.06 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 1sxj h LEU 487 Cb 0.26 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1sxj h LEU 487 CO -0.16 0.59 -0.37 0.24 0.09 0.00 0.00 178.44 178.82 1sxj h MET 488 N 1.09 -0.88 -0.80 1.13 2.86 -0.57 -0.81 114.93 116.95 1sxj h MET 488 Ca 0.45 0.06 0.16 0.00 -2.06 0.00 0.00 59.70 58.31 1sxj h MET 488 Cb 0.28 0.20 -0.15 0.00 0.06 0.00 0.00 31.60 31.99 1sxj h MET 488 CO -0.21 -0.59 -0.22 1.15 1.06 0.00 0.00 176.91 178.10 1sxj h THR 489 N -0.91 0.18 0.36 2.22 2.02 -0.78 -0.19 112.91 115.80 1sxj h THR 489 Ca -0.07 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.10 1sxj h THR 489 Cb 0.74 0.18 -0.03 0.00 -1.74 0.00 0.00 68.15 67.30 1sxj h THR 489 CO 0.07 0.00 -0.52 0.40 0.37 0.00 0.00 175.52 175.84 1sxj h ILE 490 N -0.01 0.00 -0.49 3.11 1.08 -0.89 -2.22 117.51 118.09 1sxj h ILE 490 Ca 0.38 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.92 1sxj h ILE 490 Cb 0.59 0.00 -0.09 0.00 -3.07 0.00 0.00 36.82 34.24 1sxj h ILE 490 CO -0.83 0.00 -0.48 0.00 -0.69 0.00 0.00 178.15 176.15 1sxj h ALA 491 N -0.77 -0.52 -0.66 1.87 0.00 0.33 0.27 119.26 119.78 1sxj h ALA 491 Ca -0.04 0.06 0.14 0.00 0.00 0.00 0.00 54.91 55.07 1sxj h ALA 491 Cb 0.83 1.02 -0.12 0.00 0.00 0.00 0.00 17.79 19.53 1sxj h ALA 491 CO -0.15 -0.92 -0.05 0.82 0.00 0.00 0.00 179.25 178.95 1sxj h ILE 492 N -0.30 0.41 0.00 0.00 2.04 -0.93 0.65 117.51 119.37 1sxj h ILE 492 Ca 0.13 -0.03 -0.04 0.00 1.00 0.00 0.00 64.86 65.93 1sxj h ILE 492 Cb 0.58 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 1sxj h ILE 492 CO -0.64 0.01 -0.18 -0.09 0.00 0.00 0.00 178.15 177.26 1sxj h ARG 493 N 0.07 0.00 -0.18 2.37 2.43 -0.46 -2.33 114.38 116.28 1sxj h ARG 493 Ca 0.34 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.51 1sxj h ARG 493 Cb 0.56 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 1sxj h ARG 493 CO -0.60 0.18 0.00 0.39 -1.51 0.00 0.00 179.97 178.42 1sxj n GLU 494 N -3.41 1.69 -3.02 0.20 -0.58 0.21 -4.95 120.64 110.79 1sxj n GLU 494 Ca -0.00 -1.05 -0.12 0.00 -0.42 0.00 0.00 57.16 55.57 1sxj n GLU 494 Cb 0.37 -1.37 0.05 0.00 -0.57 0.00 0.00 31.44 29.91 1sxj n GLU 494 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1sxj n LYS 495 N 0.28 -4.20 -3.73 3.49 4.76 -0.12 -5.02 118.16 113.62 1sxj n LYS 495 Ca 0.15 0.46 -0.09 0.00 -2.87 0.00 0.00 58.31 55.96 1sxj n LYS 495 Cb 0.31 -4.37 -0.03 0.00 -1.84 0.00 0.00 35.03 29.10 1sxj n LYS 495 CO 0.00 0.00 0.00 -0.59 -1.37 0.00 0.00 177.40 175.44 1sxj s PHE 496 N -3.18 -0.16 0.16 2.13 -0.12 -1.07 -5.04 117.98 110.70 1sxj s PHE 496 Ca 0.23 -0.19 0.08 0.00 -0.05 0.00 0.00 56.93 57.00 1sxj s PHE 496 Cb -0.10 0.46 -0.04 0.00 -0.63 0.00 0.00 43.02 42.70 1sxj s PHE 496 CO 0.40 -0.97 -0.18 0.15 -0.05 0.00 0.00 175.22 174.58 1sxj s LYS 497 N -3.87 1.25 -0.12 1.99 1.02 -1.26 -3.90 119.74 114.84 1sxj s LYS 497 Ca 0.09 -1.40 -0.10 0.00 0.02 0.00 0.00 55.97 54.59 1sxj s LYS 497 Cb -0.02 -1.27 0.03 0.00 -0.52 0.00 0.00 37.83 36.05 1sxj s LYS 497 CO -0.02 0.25 0.31 -0.51 -0.92 0.00 0.00 175.35 174.47 1sxj s LEU 498 N -2.67 0.71 0.07 3.17 1.43 -1.26 -4.87 118.68 115.25 1sxj s LEU 498 Ca 0.15 0.63 -0.34 0.00 -1.03 0.00 0.00 54.13 53.55 1sxj s LEU 498 Cb -0.05 1.05 -0.13 0.00 0.03 0.00 0.00 46.19 47.09 1sxj s LEU 498 CO 0.06 -0.12 1.71 0.47 0.23 0.00 0.00 176.35 178.71 1sxj n ASP 499 N 3.15 3.32 0.01 2.29 8.00 -1.26 -4.78 116.55 127.27 1sxj n ASP 499 Ca -0.15 1.03 0.01 0.00 0.71 0.00 0.00 54.79 56.39 1sxj n ASP 499 Cb 0.57 -1.42 0.03 0.00 -0.02 0.00 0.00 41.12 40.28 1sxj n ASP 499 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 1sxj n PRO 500 N 4.82 0.01 0.04 -0.24 -0.02 -1.26 0.62 135.00 138.97 1sxj n PRO 500 Ca 0.19 0.39 -0.06 0.00 -2.02 0.00 0.00 63.50 62.00 1sxj n PRO 500 Cb 0.30 -1.65 -0.11 0.00 -0.02 0.00 0.00 33.50 32.01 1sxj n PRO 500 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 1sxj h ASN 501 N 0.00 0.00 0.00 2.55 2.35 -1.98 -2.23 115.58 116.28 1sxj h ASN 501 Ca 0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1sxj h ASN 501 Cb 0.26 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.63 1sxj h ASN 501 CO 0.00 0.92 -0.00 0.58 -1.65 0.00 0.00 177.43 177.28 1sxj h VAL 502 N 0.00 1.72 0.00 2.81 2.07 -0.16 -2.26 116.25 120.42 1sxj h VAL 502 Ca -0.12 -2.27 -0.00 0.00 0.82 0.00 0.00 66.70 65.13 1sxj h VAL 502 Cb 1.81 3.24 -0.00 0.00 -1.52 0.00 0.00 31.29 34.82 1sxj h VAL 502 CO 0.10 0.58 -0.01 0.40 0.02 0.00 0.00 177.57 178.66 1sxj h ILE 503 N -0.99 0.25 0.01 4.57 1.08 -1.42 -1.80 117.51 119.21 1sxj h ILE 503 Ca -0.00 -0.04 -0.05 0.00 -0.39 0.00 0.00 64.86 64.39 1sxj h ILE 503 Cb 0.95 1.03 -0.00 0.00 -3.07 0.00 0.00 36.82 35.72 1sxj h ILE 503 CO 0.00 0.01 -0.25 -0.78 -0.69 0.00 0.00 178.15 176.43 1sxj h ASP 504 N 0.00 0.04 0.38 1.72 1.82 -1.40 -3.31 116.42 115.67 1sxj h ASP 504 Ca -0.00 -0.92 -0.07 0.00 -0.39 0.00 0.00 57.03 55.64 1sxj h ASP 504 Cb 0.03 -0.01 -0.01 0.00 0.68 0.00 0.00 39.33 40.01 1sxj h ASP 504 CO 0.00 1.11 -0.35 0.03 -1.61 0.00 0.00 179.24 178.41 1sxj h ARG 505 N -0.95 0.00 0.21 0.28 3.08 -1.08 -2.84 114.38 113.08 1sxj h ARG 505 Ca -0.06 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 1sxj h ARG 505 Cb 1.10 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.13 1sxj h ARG 505 CO -0.02 0.35 -0.25 -0.07 -1.07 0.00 0.00 179.97 178.91 1sxj h LEU 506 N 0.00 -0.70 -0.98 3.04 3.38 -1.48 0.16 115.31 118.73 1sxj h LEU 506 Ca -0.00 0.06 0.33 0.00 0.09 0.00 0.00 57.88 58.36 1sxj h LEU 506 Cb 0.64 0.24 -0.17 0.00 0.09 0.00 0.00 40.66 41.46 1sxj h LEU 506 CO 0.05 -0.32 0.40 0.40 0.09 0.00 0.00 178.44 179.06 1sxj h ILE 507 N -0.48 0.14 -0.44 1.22 2.04 -1.62 1.30 117.51 119.68 1sxj h ILE 507 Ca -0.03 -0.04 -0.06 0.00 1.00 0.00 0.00 64.86 65.73 1sxj h ILE 507 Cb 0.42 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.48 1sxj h ILE 507 CO -0.05 0.02 0.00 -0.61 0.00 0.00 0.00 178.15 177.52 1sxj h GLN 508 N 0.13 0.71 -0.03 2.37 4.15 -1.05 -1.50 115.11 119.87 1sxj h GLN 508 Ca 0.72 -0.18 -0.25 0.00 0.77 0.00 0.00 58.65 59.71 1sxj h GLN 508 Cb 1.71 -0.09 0.02 0.00 0.21 0.00 0.00 27.48 29.32 1sxj h GLN 508 CO -0.73 0.72 -0.95 1.15 -1.93 0.00 0.00 178.83 177.08 1sxj h THR 509 N 0.67 1.29 0.00 2.39 2.02 0.43 -3.10 112.91 116.60 1sxj h THR 509 Ca 0.13 -2.17 0.00 0.00 0.77 0.00 0.00 66.41 65.15 1sxj h THR 509 Cb 0.41 2.31 0.00 0.00 -1.74 0.00 0.00 68.15 69.13 1sxj h THR 509 CO 0.02 0.67 0.00 0.41 0.37 0.00 0.00 175.52 176.99 1sxj n THR 510 N -3.90 0.28 -1.73 3.16 -1.04 0.11 -4.85 114.28 106.31 1sxj n THR 510 Ca -0.10 0.07 -0.11 0.00 -2.04 0.00 0.00 64.05 61.87 1sxj n THR 510 Cb 0.84 -0.73 -0.03 0.00 -1.82 0.00 0.00 70.33 68.58 1sxj n THR 510 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1sxj n ARG 511 N -1.22 -1.63 0.00 -2.82 1.74 -0.59 -0.34 116.66 111.81 1sxj n ARG 511 Ca 0.11 0.61 0.00 0.00 -0.77 0.00 0.00 57.85 57.80 1sxj n ARG 511 Cb 0.14 -4.95 0.00 0.00 -1.02 0.00 0.00 32.46 26.63 1sxj n ARG 511 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1sxj n GLY 512 N -0.41 0.34 3.56 -0.13 0.00 -1.08 -4.94 105.19 102.52 1sxj n GLY 512 Ca -0.12 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.67 1sxj n GLY 512 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1sxj s ASP 513 N -2.14 4.75 0.54 1.61 -1.08 0.54 -4.58 116.67 116.31 1sxj s ASP 513 Ca 0.00 -0.39 0.22 0.00 -0.52 0.00 0.00 52.55 51.86 1sxj s ASP 513 Cb 0.00 -2.55 1.44 0.00 -1.46 0.00 0.00 42.92 40.35 1sxj s ASP 513 CO 0.00 -3.08 2.14 0.40 0.52 0.00 0.00 175.17 175.14 1sxj h ILE 514 N 7.39 0.80 -0.30 4.11 2.04 -1.48 -0.69 117.51 129.37 1sxj h ILE 514 Ca 0.05 0.00 -0.13 0.00 1.00 0.00 0.00 64.86 65.78 1sxj h ILE 514 Cb 1.01 0.93 -0.00 0.00 -0.74 0.00 0.00 36.82 38.02 1sxj h ILE 514 CO 1.15 0.00 -0.30 -0.09 0.00 0.00 0.00 178.15 178.90 1sxj h ARG 515 N 0.00 0.74 -0.12 2.37 2.43 -1.82 -2.77 114.38 115.21 1sxj h ARG 515 Ca 0.05 -0.39 -0.02 0.00 -0.81 0.00 0.00 59.98 58.82 1sxj h ARG 515 Cb 0.24 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.80 1sxj h ARG 515 CO -0.00 1.01 0.01 1.96 -1.51 0.00 0.00 179.97 181.45 1sxj h GLN 516 N 0.50 0.20 -0.45 0.20 1.08 -1.48 -2.24 115.11 112.93 1sxj h GLN 516 Ca 0.05 -0.06 0.05 0.00 -1.45 0.00 0.00 58.65 57.24 1sxj h GLN 516 Cb 0.88 -0.02 -0.05 0.00 -0.05 0.00 0.00 27.48 28.24 1sxj h GLN 516 CO 0.08 0.42 0.18 -0.39 -0.95 0.00 0.00 178.83 178.16 1sxj h VAL 517 N -0.04 0.89 -0.36 -0.54 -1.51 -1.31 0.75 116.25 114.12 1sxj h VAL 517 Ca 0.04 -0.12 0.06 0.00 -1.23 0.00 0.00 66.70 65.44 1sxj h VAL 517 Cb 0.32 0.50 -0.05 0.00 -2.13 0.00 0.00 31.29 29.92 1sxj h VAL 517 CO 0.00 0.07 0.05 0.40 -1.23 0.00 0.00 177.57 176.86 1sxj h ILE 518 N 0.36 0.79 -0.28 7.19 1.08 -1.41 1.04 117.51 126.28 1sxj h ILE 518 Ca 0.21 -0.06 -0.02 0.00 -0.39 0.00 0.00 64.86 64.60 1sxj h ILE 518 Cb 0.18 0.61 -0.01 0.00 -3.07 0.00 0.00 36.82 34.53 1sxj h ILE 518 CO -0.19 0.03 0.09 0.78 -0.69 0.00 0.00 178.15 178.17 1sxj h ASN 519 N 0.17 0.40 0.18 1.72 2.35 -0.74 -1.94 115.58 117.72 1sxj h ASN 519 Ca 0.17 -0.19 -0.03 0.00 -0.55 0.00 0.00 56.30 55.70 1sxj h ASN 519 Cb 0.21 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 38.47 1sxj h ASN 519 CO -0.25 0.49 -0.15 0.25 -1.65 0.00 0.00 177.43 176.13 1sxj h LEU 520 N 0.29 0.00 0.00 1.61 5.85 0.12 -1.99 115.31 121.19 1sxj h LEU 520 Ca 0.09 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1sxj h LEU 520 Cb 0.23 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.26 1sxj h LEU 520 CO -0.00 0.15 -0.24 -0.11 -0.34 0.00 0.00 178.44 177.90 1sxj n LEU 521 N -4.24 0.62 -0.60 2.25 7.94 0.35 -3.13 117.00 120.19 1sxj n LEU 521 Ca -0.02 0.41 0.11 0.00 -1.11 0.00 0.00 56.01 55.39 1sxj n LEU 521 Cb 0.22 -0.30 0.38 0.00 0.53 0.00 0.00 43.42 44.25 1sxj n LEU 521 CO 0.35 -0.09 0.78 -1.54 -1.11 0.00 0.00 177.39 175.78 1sxj n SER 522 N -2.02 1.82 0.08 1.96 3.41 -0.75 -3.96 113.62 114.16 1sxj n SER 522 Ca 0.05 -1.71 -0.08 0.00 -0.26 0.00 0.00 58.87 56.87 1sxj n SER 522 Cb 0.41 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.27 1sxj n SER 522 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1sxj h THR 523 N 2.50 1.48 0.00 6.66 2.02 -1.54 -3.13 112.91 120.90 1sxj h THR 523 Ca 0.00 -2.55 0.00 0.00 0.77 0.00 0.00 66.41 64.63 1sxj h THR 523 Cb 0.54 2.41 0.00 0.00 -1.74 0.00 0.00 68.15 69.37 1sxj h THR 523 CO 0.00 0.74 0.00 -0.38 0.37 0.00 0.00 175.52 176.25 1sxj n ILE 524 N -3.68 0.00 -0.13 3.11 5.41 -1.25 -1.06 119.36 121.75 1sxj n ILE 524 Ca -0.04 1.21 0.27 0.00 1.00 0.00 0.00 62.75 65.20 1sxj n ILE 524 Cb 0.79 -2.17 0.72 0.00 -0.71 0.00 0.00 39.64 38.26 1sxj n ILE 524 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 176.55 177.32 1sxj h SER 525 N 0.00 0.00 0.77 4.38 4.64 -1.83 0.12 113.55 121.64 1sxj h SER 525 Ca 0.00 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.09 1sxj h SER 525 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1sxj h SER 525 CO 0.00 0.00 -1.05 0.74 -0.87 0.00 0.00 176.83 175.65 1sxj h THR 526 N 0.00 1.59 0.27 2.95 2.02 -1.55 -3.37 112.91 114.82 1sxj h THR 526 Ca 0.38 -3.10 -0.01 0.00 0.77 0.00 0.00 66.41 64.45 1sxj h THR 526 Cb 1.63 2.78 0.00 0.00 -1.74 0.00 0.00 68.15 70.82 1sxj h THR 526 CO -0.00 0.90 -0.13 0.74 0.37 0.00 0.00 175.52 177.39 1sxj h THR 527 N 0.05 0.07 -4.26 3.16 2.02 0.90 -3.46 112.91 111.40 1sxj h THR 527 Ca -0.06 -0.76 -0.51 0.00 0.77 0.00 0.00 66.41 65.85 1sxj h THR 527 Cb 1.77 0.12 0.10 0.00 -1.74 0.00 0.00 68.15 68.40 1sxj h THR 527 CO 0.16 0.02 0.36 -0.89 0.37 0.00 0.00 175.52 175.53 1sxj s THR 528 N -2.82 3.58 -0.16 3.16 2.01 -0.85 -5.00 115.64 115.56 1sxj s THR 528 Ca -0.06 0.63 -0.26 0.00 0.31 0.00 0.00 61.69 62.31 1sxj s THR 528 Cb 0.01 -3.19 -0.23 0.00 0.01 0.00 0.00 72.50 69.09 1sxj s THR 528 CO 0.19 -0.56 0.55 0.50 -0.69 0.00 0.00 174.62 174.62 1sxj h LYS 529 N -0.32 0.01 -3.61 4.92 3.64 -1.89 -3.46 116.57 115.87 1sxj h LYS 529 Ca -0.45 -0.02 -0.41 0.00 -1.27 0.00 0.00 60.65 58.50 1sxj h LYS 529 Cb 1.23 0.01 -0.38 0.00 -0.41 0.00 0.00 32.23 32.68 1sxj h LYS 529 CO 0.55 1.01 -0.76 0.99 -2.27 0.00 0.00 179.45 178.97 1sxj s THR 530 N -2.28 0.23 0.18 1.00 2.01 -1.26 -5.09 115.64 110.42 1sxj s THR 530 Ca -0.23 0.19 -0.21 0.00 0.31 0.00 0.00 61.69 61.75 1sxj s THR 530 Cb 0.01 -0.40 -0.08 0.00 0.01 0.00 0.00 72.50 72.04 1sxj s THR 530 CO 0.66 0.22 0.71 -0.63 -0.69 0.00 0.00 174.62 174.89 1sxj s ILE 531 N 1.89 4.54 0.13 1.82 1.01 -1.26 -5.05 121.20 124.28 1sxj s ILE 531 Ca 0.03 1.40 0.01 0.00 0.00 0.00 0.00 60.65 62.08 1sxj s ILE 531 Cb -0.12 -3.95 -0.00 0.00 0.01 0.00 0.00 42.46 38.39 1sxj s ILE 531 CO -0.04 0.36 0.02 0.59 0.00 0.00 0.00 174.94 175.87 1sxj n ASN 532 N 1.15 1.68 -0.11 3.58 3.02 -1.26 -5.03 115.26 118.29 1sxj n ASN 532 Ca -0.05 -1.64 -0.10 0.00 -0.03 0.00 0.00 54.58 52.77 1sxj n ASN 532 Cb 0.50 0.21 -0.02 0.00 -0.61 0.00 0.00 39.78 39.86 1sxj n ASN 532 CO 0.00 0.00 0.00 0.45 -2.62 0.00 0.00 177.26 175.09 1sxj h HIS 533 N 1.14 0.56 0.11 3.10 3.86 -2.00 -3.27 115.15 118.65 1sxj h HIS 533 Ca -0.11 -0.07 -0.23 0.00 -1.16 0.00 0.00 60.37 58.81 1sxj h HIS 533 Cb 0.36 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 28.67 1sxj h HIS 533 CO 0.00 0.57 -1.15 0.93 0.86 0.00 0.00 177.93 179.15 1sxj h GLU 534 N 0.39 0.22 -0.95 2.45 5.08 -2.02 -3.38 114.58 116.38 1sxj h GLU 534 Ca 0.11 -0.38 0.27 0.00 -1.00 0.00 0.00 59.36 58.35 1sxj h GLU 534 Cb 0.29 0.14 -0.17 0.00 0.50 0.00 0.00 28.75 29.51 1sxj h GLU 534 CO 0.00 1.18 0.10 -0.91 -1.00 0.00 0.00 179.01 178.38 1sxj h ASN 535 N -0.42 -0.33 -0.95 1.42 -0.26 -1.96 -1.95 115.58 111.14 1sxj h ASN 535 Ca -0.24 0.26 0.24 0.00 -0.56 0.00 0.00 56.30 55.99 1sxj h ASN 535 Cb 1.65 0.42 -0.18 0.00 -1.06 0.00 0.00 38.32 39.15 1sxj h ASN 535 CO 0.06 -0.31 -0.04 0.40 -1.06 0.00 0.00 177.43 176.48 1sxj h ILE 536 N 0.05 0.07 0.00 2.81 2.04 -1.74 0.65 117.51 121.40 1sxj h ILE 536 Ca 0.59 -0.01 -0.10 0.00 1.00 0.00 0.00 64.86 66.35 1sxj h ILE 536 Cb 1.24 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 1sxj h ILE 536 CO -0.84 0.00 -0.47 0.78 0.00 0.00 0.00 178.15 177.63 1sxj h ASN 537 N 0.02 0.00 0.15 1.72 2.35 -1.62 -3.28 115.58 114.92 1sxj h ASN 537 Ca 0.54 0.00 -0.35 0.00 -0.55 0.00 0.00 56.30 55.93 1sxj h ASN 537 Cb 1.02 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 39.33 1sxj h ASN 537 CO -0.90 0.47 -2.18 -1.84 -1.65 0.00 0.00 177.43 171.33 1sxj n GLU 538 N -3.56 0.67 0.26 0.81 0.28 0.31 -4.21 120.64 115.21 1sxj n GLU 538 Ca -0.00 0.13 0.09 0.00 -0.16 0.00 0.00 57.16 57.22 1sxj n GLU 538 Cb 0.57 -1.61 0.67 0.00 1.43 0.00 0.00 31.44 32.50 1sxj n GLU 538 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 1sxj h ILE 539 N 0.01 0.90 -0.93 3.84 2.04 0.05 -1.13 117.51 122.28 1sxj h ILE 539 Ca -0.47 -0.19 0.11 0.00 1.00 0.00 0.00 64.86 65.31 1sxj h ILE 539 Cb 2.11 1.11 -0.08 0.00 -0.74 0.00 0.00 36.82 39.21 1sxj h ILE 539 CO 0.03 0.05 0.56 -1.28 0.00 0.00 0.00 178.15 177.52 1sxj h SER 540 N 0.00 0.81 0.00 1.72 0.87 -1.73 -0.95 113.55 114.28 1sxj h SER 540 Ca -0.00 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 1sxj h SER 540 Cb 0.10 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 61.95 1sxj h SER 540 CO 0.01 0.44 0.00 1.17 -0.53 0.00 0.00 176.83 177.92 1sxj n LYS 541 N -4.68 0.00 -0.24 2.24 4.81 -0.43 0.19 118.16 120.05 1sxj n LYS 541 Ca 0.17 0.51 0.27 0.00 -0.87 0.00 0.00 58.31 58.39 1sxj n LYS 541 Cb 0.33 -1.45 0.66 0.00 0.02 0.00 0.00 35.03 34.59 1sxj n LYS 541 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1sxj h ALA 542 N -1.90 2.70 0.02 3.14 0.00 -1.60 0.75 119.26 122.37 1sxj h ALA 542 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1sxj h ALA 542 Cb 0.00 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1sxj h ALA 542 CO 0.00 -1.00 -0.01 2.35 0.00 0.00 0.00 179.25 180.60 1sxj h TRP 543 N 0.13 -0.02 -0.30 0.00 7.01 -1.03 -3.08 115.95 118.66 1sxj h TRP 543 Ca 0.48 -0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.47 1sxj h TRP 543 Cb 1.69 0.01 -0.01 0.00 -2.10 0.00 0.00 29.16 28.74 1sxj h TRP 543 CO -0.00 0.67 0.14 1.49 -2.79 0.00 0.00 178.44 177.95 1sxj h GLU 544 N -0.96 0.43 -0.00 2.65 4.81 0.33 0.25 114.58 122.09 1sxj h GLU 544 Ca -0.00 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1sxj h GLU 544 Cb 0.70 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.01 1sxj h GLU 544 CO 0.00 0.42 0.00 1.63 -0.73 0.00 0.00 179.01 180.33 1sxj n LYS 545 N -4.77 1.00 0.00 1.92 5.02 0.25 -0.38 118.16 121.20 1sxj n LYS 545 Ca -0.02 -0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 1sxj n LYS 545 Cb 0.11 -1.38 0.00 0.00 -0.02 0.00 0.00 35.03 33.74 1sxj n LYS 545 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1sxj n ASN 546 N -0.87 0.00 -0.02 4.39 2.85 -1.07 -4.64 115.26 115.90 1sxj n ASN 546 Ca 0.18 0.00 -0.11 0.00 -0.11 0.00 0.00 54.58 54.54 1sxj n ASN 546 Cb 0.08 0.00 -0.09 0.00 1.24 0.00 0.00 39.78 41.01 1sxj n ASN 546 CO 0.00 0.00 0.00 0.40 -2.11 0.00 0.00 177.26 175.55 1sxj h ILE 547 N 0.00 1.24 0.00 -1.44 1.08 -1.08 -3.37 117.51 113.94 1sxj h ILE 547 Ca 0.00 -1.59 0.00 0.00 -0.39 0.00 0.00 64.86 62.88 1sxj h ILE 547 Cb 0.00 2.20 0.00 0.00 -3.07 0.00 0.00 36.82 35.95 1sxj h ILE 547 CO 0.00 0.37 0.00 0.00 -0.69 0.00 0.00 178.15 177.83 1sxj n ALA 548 N -2.56 0.00 -1.35 1.87 0.00 0.66 -4.52 120.51 114.61 1sxj n ALA 548 Ca -0.08 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.10 1sxj n ALA 548 Cb 0.32 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.75 1sxj n ALA 548 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1sxj n LEU 549 N 0.00 6.63 -0.32 0.00 4.77 0.49 -4.66 117.00 123.91 1sxj n LEU 549 Ca 0.00 -3.93 0.07 0.00 -0.03 0.00 0.00 56.01 52.12 1sxj n LEU 549 Cb 0.00 -1.16 0.27 0.00 -2.33 0.00 0.00 43.42 40.21 1sxj n LEU 549 CO 0.00 1.58 1.24 0.50 -1.33 0.00 0.00 177.39 179.38 1sxj h LYS 550 N 2.52 0.91 0.00 3.23 3.64 -1.69 0.32 116.57 125.50 1sxj h LYS 550 Ca 0.39 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.72 1sxj h LYS 550 Cb 0.73 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 1sxj h LYS 550 CO 0.93 0.60 0.07 -1.35 -2.27 0.00 0.00 179.45 177.43 1sxj h PRO 551 N 0.93 0.00 0.02 1.90 0.11 -1.90 -2.19 132.00 130.87 1sxj h PRO 551 Ca 0.45 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 66.39 1sxj h PRO 551 Cb 0.45 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.54 1sxj h PRO 551 CO -0.21 0.00 -0.92 0.74 -0.21 0.00 0.00 178.00 177.40 1sxj h PHE 552 N 0.00 0.06 0.00 0.65 -1.00 -1.30 -3.16 116.94 112.19 1sxj h PHE 552 Ca 0.00 -0.04 0.00 0.00 2.81 0.00 0.00 57.97 60.74 1sxj h PHE 552 Cb 0.14 -0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.70 1sxj h PHE 552 CO 0.00 1.36 0.07 0.22 -1.61 0.00 0.00 178.31 178.35 1sxj h ASP 553 N -0.90 0.00 0.02 2.17 3.58 -1.26 0.36 116.42 120.38 1sxj h ASP 553 Ca -0.24 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.21 1sxj h ASP 553 Cb 1.28 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.33 1sxj h ASP 553 CO -0.11 0.00 -0.01 0.40 -2.88 0.00 0.00 179.24 176.64 1sxj h ILE 554 N 0.00 1.34 -0.09 2.25 1.08 -1.56 -2.43 117.51 118.10 1sxj h ILE 554 Ca 0.00 -1.87 -0.01 0.00 -0.39 0.00 0.00 64.86 62.59 1sxj h ILE 554 Cb 0.15 2.48 -0.01 0.00 -3.07 0.00 0.00 36.82 36.37 1sxj h ILE 554 CO 0.00 0.43 0.01 0.00 -0.69 0.00 0.00 178.15 177.90 1sxj h ALA 555 N -0.16 1.85 -0.36 1.87 0.00 -1.06 -0.34 119.26 121.06 1sxj h ALA 555 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1sxj h ALA 555 Cb 0.73 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1sxj h ALA 555 CO 0.00 0.12 0.00 1.58 0.00 0.00 0.00 179.25 180.96 1sxj n HIS 556 N -4.47 0.00 -0.33 0.00 -0.00 0.11 -1.70 115.22 108.83 1sxj n HIS 556 Ca -0.02 0.00 -0.05 0.00 -0.00 0.00 0.00 57.72 57.65 1sxj n HIS 556 Cb 0.12 -0.44 -0.01 0.00 -0.00 0.00 0.00 29.99 29.66 1sxj n HIS 556 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 176.34 177.21 1sxj h LYS 557 N 0.00 -0.07 -0.96 1.57 1.57 -1.31 0.27 116.57 117.63 1sxj h LYS 557 Ca 0.00 0.00 0.20 0.00 -1.87 0.00 0.00 60.65 58.99 1sxj h LYS 557 Cb 0.00 0.02 -0.11 0.00 0.08 0.00 0.00 32.23 32.21 1sxj h LYS 557 CO 0.00 -0.05 0.54 0.52 -0.57 0.00 0.00 179.45 179.90 1sxj h MET 558 N -0.07 0.61 -0.43 3.15 2.86 -1.13 -1.11 114.93 118.81 1sxj h MET 558 Ca 0.25 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.86 1sxj h MET 558 Cb 0.54 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.07 1sxj h MET 558 CO -0.88 0.40 0.00 1.28 1.06 0.00 0.00 176.91 178.77 1sxj n LEU 559 N -4.86 2.29 -4.53 1.22 4.77 0.88 -4.68 117.00 112.08 1sxj n LEU 559 Ca 0.23 -1.15 -0.43 0.00 -0.03 0.00 0.00 56.01 54.64 1sxj n LEU 559 Cb 0.62 -0.29 -0.06 0.00 -2.33 0.00 0.00 43.42 41.35 1sxj n LEU 559 CO 0.18 0.56 0.46 -0.62 -1.33 0.00 0.00 177.39 176.64 1sxj s ASP 560 N -0.98 6.36 0.66 -1.43 2.15 -0.42 -1.23 116.67 121.78 1sxj s ASP 560 Ca 0.28 -0.24 0.31 0.00 0.43 0.00 0.00 52.55 53.33 1sxj s ASP 560 Cb 0.15 -2.35 1.70 0.00 -0.30 0.00 0.00 42.92 42.12 1sxj s ASP 560 CO 0.19 -0.84 1.97 1.23 -0.17 0.00 0.00 175.17 177.55 1sxj h GLY 561 N 9.89 0.00 2.00 2.66 0.00 -1.73 -2.05 103.07 113.83 1sxj h GLY 561 Ca -0.25 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 1sxj h GLY 561 CO 0.92 0.00 -0.04 1.46 0.00 0.00 0.00 176.54 178.88 1sxj h GLN 562 N 0.00 0.00 0.00 4.80 4.20 -1.92 -1.49 115.11 120.71 1sxj h GLN 562 Ca 0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1sxj h GLN 562 Cb 0.64 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.42 1sxj h GLN 562 CO -0.00 0.04 -0.14 0.82 -0.67 0.00 0.00 178.83 178.88 1sxj h ILE 563 N 0.00 0.00 -0.01 2.54 1.08 -1.68 -3.30 117.51 116.14 1sxj h ILE 563 Ca -0.00 -0.80 0.00 0.00 -0.39 0.00 0.00 64.86 63.67 1sxj h ILE 563 Cb 0.14 1.73 0.00 0.00 -3.07 0.00 0.00 36.82 35.62 1sxj h ILE 563 CO 0.01 0.00 -0.80 -1.22 -0.69 0.00 0.00 178.15 175.45 1sxj n TYR 564 N -2.74 0.00 -2.74 1.37 4.02 -0.57 -3.27 117.16 113.23 1sxj n TYR 564 Ca 0.04 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.52 1sxj n TYR 564 Cb 0.50 -0.01 -0.05 0.00 -0.02 0.00 0.00 39.34 39.76 1sxj n TYR 564 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1sxj s SER 565 N -2.81 7.52 0.02 7.72 1.04 -1.13 -4.71 113.70 121.34 1sxj s SER 565 Ca 0.12 1.81 -0.01 0.00 0.48 0.00 0.00 55.95 58.35 1sxj s SER 565 Cb 0.17 -2.59 0.03 0.00 0.10 0.00 0.00 66.02 63.73 1sxj s SER 565 CO 0.76 -0.03 0.12 0.47 0.98 0.00 0.00 173.24 175.54 1sxj n ASP 566 N 2.57 -0.04 0.00 7.02 8.00 -1.26 0.67 116.55 133.52 1sxj n ASP 566 Ca 0.01 0.13 0.00 0.00 0.71 0.00 0.00 54.79 55.65 1sxj n ASP 566 Cb 0.49 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.55 1sxj n ASP 566 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1sxj n ILE 567 N -4.12 0.00 0.30 0.53 2.08 -1.26 -3.12 119.36 113.77 1sxj n ILE 567 Ca 0.01 1.23 0.19 0.00 0.56 0.00 0.00 62.75 64.74 1sxj n ILE 567 Cb 0.04 -2.19 1.02 0.00 -0.75 0.00 0.00 39.64 37.75 1sxj n ILE 567 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 1sxj h GLY 568 N 0.00 0.00 1.64 7.39 0.00 -1.29 -1.35 103.07 109.45 1sxj h GLY 568 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1sxj h GLY 568 CO 0.00 0.00 0.15 0.23 0.00 0.00 0.00 176.54 176.92 1sxj h SER 569 N 0.00 0.00 -0.00 0.19 0.87 0.30 0.64 113.55 115.55 1sxj h SER 569 Ca 0.02 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 1sxj h SER 569 Cb 0.20 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.16 1sxj h SER 569 CO -0.00 0.00 -0.02 -2.11 -0.53 0.00 0.00 176.83 174.17 1sxj n ARG 570 N -2.48 2.93 0.02 2.24 1.85 -0.51 -4.13 116.66 116.58 1sxj n ARG 570 Ca -0.02 -0.28 -0.22 0.00 -1.00 0.00 0.00 57.85 56.33 1sxj n ARG 570 Cb 0.19 -0.78 -0.14 0.00 -1.05 0.00 0.00 32.46 30.68 1sxj n ARG 570 CO 0.00 0.00 0.00 -0.91 -0.01 0.00 0.00 177.63 176.71 1sxj h ASN 571 N 0.10 0.44 -3.98 2.89 2.35 -1.27 -3.39 115.58 112.71 1sxj h ASN 571 Ca 0.00 -0.91 -0.65 0.00 -0.55 0.00 0.00 56.30 54.19 1sxj h ASN 571 Cb 0.03 -0.14 -0.39 0.00 0.05 0.00 0.00 38.32 37.87 1sxj h ASN 571 CO 0.00 1.79 -0.51 0.12 -1.65 0.00 0.00 177.43 177.18 1sxj s PHE 572 N -2.54 3.37 1.12 1.19 5.36 0.10 -5.08 117.98 121.50 1sxj s PHE 572 Ca -0.21 -3.10 -0.13 0.00 -0.96 0.00 0.00 56.93 52.53 1sxj s PHE 572 Cb 0.06 -2.92 0.26 0.00 -0.34 0.00 0.00 43.02 40.08 1sxj s PHE 572 CO 0.78 -0.72 1.05 0.95 -1.46 0.00 0.00 175.22 175.81 1sxj s THR 573 N -0.59 2.05 0.29 0.12 -4.23 -1.26 -4.56 115.64 107.46 1sxj s THR 573 Ca 0.20 0.02 -0.01 0.00 -1.18 0.00 0.00 61.69 60.72 1sxj s THR 573 Cb -0.19 -2.16 0.28 0.00 1.34 0.00 0.00 72.50 71.77 1sxj s THR 573 CO -0.05 -0.02 1.91 0.25 -0.54 0.00 0.00 174.62 176.17 1sxj h LEU 574 N -2.44 0.95 -1.38 4.79 6.46 -1.97 -0.08 115.31 121.65 1sxj h LEU 574 Ca -0.59 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.15 1sxj h LEU 574 Cb 1.33 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 41.03 1sxj h LEU 574 CO 0.51 0.62 0.18 -1.13 -0.62 0.00 0.00 178.44 178.01 1sxj h ASN 575 N 1.09 0.54 0.01 1.25 -0.73 -1.97 -1.47 115.58 114.29 1sxj h ASN 575 Ca 0.39 -0.05 -0.17 0.00 1.87 0.00 0.00 56.30 58.33 1sxj h ASN 575 Cb 0.14 -0.14 0.01 0.00 0.27 0.00 0.00 38.32 38.60 1sxj h ASN 575 CO -0.14 0.49 -0.68 0.44 -0.37 0.00 0.00 177.43 177.17 1sxj h ASP 576 N 0.60 0.58 -0.03 1.15 3.32 -1.39 -1.92 116.42 118.73 1sxj h ASP 576 Ca 0.15 -0.77 0.03 0.00 0.02 0.00 0.00 57.03 56.47 1sxj h ASP 576 Cb 0.10 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.43 1sxj h ASP 576 CO -0.02 1.28 -0.20 0.11 -1.72 0.00 0.00 179.24 178.69 1sxj h LYS 577 N -0.05 -0.29 -0.90 3.56 1.57 -1.00 0.46 116.57 119.92 1sxj h LYS 577 Ca -0.09 0.02 0.08 0.00 -1.87 0.00 0.00 60.65 58.79 1sxj h LYS 577 Cb 1.39 0.07 -0.07 0.00 0.08 0.00 0.00 32.23 33.69 1sxj h LYS 577 CO 0.13 -0.19 0.56 0.82 -0.57 0.00 0.00 179.45 180.20 1sxj h ILE 578 N -0.30 1.00 -0.89 1.86 5.03 -1.34 -2.06 117.51 120.82 1sxj h ILE 578 Ca 0.07 -0.34 -0.00 0.00 -0.12 0.00 0.00 64.86 64.47 1sxj h ILE 578 Cb 0.39 -0.06 -0.04 0.00 -3.03 0.00 0.00 36.82 34.08 1sxj h ILE 578 CO -0.21 0.18 0.54 0.00 -0.68 0.00 0.00 178.15 177.98 1sxj h ALA 579 N 1.45 1.28 -0.94 1.87 0.00 -0.37 -1.80 119.26 120.75 1sxj h ALA 579 Ca 0.41 -0.09 0.26 0.00 0.00 0.00 0.00 54.91 55.49 1sxj h ALA 579 Cb 0.26 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 1sxj h ALA 579 CO -0.20 0.62 0.66 -0.07 0.00 0.00 0.00 179.25 180.26 1sxj h LEU 580 N 1.22 0.06 -0.45 0.00 3.38 -0.21 0.31 115.31 119.63 1sxj h LEU 580 Ca 0.32 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.29 1sxj h LEU 580 Cb -0.06 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1sxj h LEU 580 CO -0.06 0.02 0.25 0.22 0.09 0.00 0.00 178.44 178.96 1sxj h TYR 581 N 0.06 0.61 0.00 1.13 3.20 -1.37 -1.98 116.97 118.61 1sxj h TYR 581 Ca 0.45 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.31 1sxj h TYR 581 Cb 1.71 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 39.78 1sxj h TYR 581 CO -0.00 0.46 0.00 1.19 -1.64 0.00 0.00 178.16 178.17 1sxj n PHE 582 N -4.70 0.00 1.05 -3.82 3.01 0.11 -0.99 117.46 112.12 1sxj n PHE 582 Ca 0.01 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.58 1sxj n PHE 582 Cb 0.08 -0.06 0.06 0.00 -0.01 0.00 0.00 39.48 39.55 1sxj n PHE 582 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1sxj n ASP 583 N -0.04 1.60 0.00 4.37 9.92 -0.75 -4.63 116.55 127.03 1sxj n ASP 583 Ca 0.00 -1.26 0.00 0.00 -0.53 0.00 0.00 54.79 53.00 1sxj n ASP 583 Cb 0.15 0.49 0.00 0.00 -0.64 0.00 0.00 41.12 41.12 1sxj n ASP 583 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1sxj n ASP 584 N -0.45 0.00 0.00 -2.24 -0.08 -1.00 -5.02 116.55 107.76 1sxj n ASP 584 Ca 0.09 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.37 1sxj n ASP 584 Cb 0.42 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.88 1sxj n ASP 584 CO 0.00 0.00 0.00 2.22 0.12 0.00 0.00 177.20 179.54 1sxj n PHE 585 N 0.00 0.00 -0.07 -0.67 1.16 -0.16 -1.71 117.46 116.02 1sxj n PHE 585 Ca 0.00 0.00 -0.05 0.00 -1.87 0.00 0.00 57.45 55.53 1sxj n PHE 585 Cb 0.00 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 37.84 1sxj n PHE 585 CO 0.00 0.00 0.00 -0.44 -1.87 0.00 0.00 176.76 174.45 1sxj h ASP 586 N 0.00 0.00 0.46 5.98 3.32 -1.95 -3.42 116.42 120.80 1sxj h ASP 586 Ca 0.00 -0.17 -0.30 0.00 0.02 0.00 0.00 57.03 56.58 1sxj h ASP 586 Cb 0.00 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 1sxj h ASP 586 CO 0.00 0.75 -1.65 -0.26 -1.72 0.00 0.00 179.24 176.36 1sxj h PHE 587 N -1.00 0.22 -0.94 4.55 -1.00 -1.77 -3.41 116.94 113.59 1sxj h PHE 587 Ca -0.04 -0.16 0.19 0.00 2.81 0.00 0.00 57.97 60.77 1sxj h PHE 587 Cb 0.43 -0.01 -0.18 0.00 3.61 0.00 0.00 35.95 39.80 1sxj h PHE 587 CO -0.04 1.26 -0.22 1.15 -1.61 0.00 0.00 178.31 178.85 1sxj h THR 588 N 0.03 0.07 -0.81 -1.55 2.02 -1.58 0.56 112.91 111.64 1sxj h THR 588 Ca -0.27 -0.00 -0.04 0.00 0.77 0.00 0.00 66.41 66.87 1sxj h THR 588 Cb 2.00 0.06 -0.04 0.00 -1.74 0.00 0.00 68.15 68.43 1sxj h THR 588 CO 0.11 0.00 0.37 -0.65 0.37 0.00 0.00 175.52 175.72 1sxj h PRO 589 N 0.00 1.18 -0.64 6.66 0.11 -1.83 -1.15 132.00 136.33 1sxj h PRO 589 Ca 0.45 -0.19 -0.08 0.00 0.11 0.00 0.00 66.00 66.29 1sxj h PRO 589 Cb 0.70 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.58 1sxj h PRO 589 CO -0.96 0.92 0.07 -0.07 -0.21 0.00 0.00 178.00 177.75 1sxj h LEU 590 N 1.16 1.04 0.29 2.35 3.38 -0.58 -2.47 115.31 120.47 1sxj h LEU 590 Ca 0.27 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1sxj h LEU 590 Cb 0.15 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1sxj h LEU 590 CO -0.03 1.05 -0.14 0.24 0.09 0.00 0.00 178.44 179.65 1sxj h MET 591 N 1.00 -0.37 0.06 1.13 2.86 0.33 -0.91 114.93 119.03 1sxj h MET 591 Ca 0.19 0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.87 1sxj h MET 591 Cb 0.48 0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.20 1sxj h MET 591 CO 0.02 -0.13 -0.13 0.82 1.06 0.00 0.00 176.91 178.54 1sxj h ILE 592 N -0.55 0.69 -0.87 -1.22 5.03 -1.22 -1.50 117.51 117.86 1sxj h ILE 592 Ca -0.04 0.00 0.12 0.00 -0.12 0.00 0.00 64.86 64.82 1sxj h ILE 592 Cb 0.41 0.69 -0.08 0.00 -3.03 0.00 0.00 36.82 34.80 1sxj h ILE 592 CO 0.06 0.00 0.49 -0.61 -0.68 0.00 0.00 178.15 177.41 1sxj h GLN 593 N -0.25 0.74 -0.38 2.37 -0.00 -1.45 -0.66 115.11 115.47 1sxj h GLN 593 Ca 0.03 -0.04 0.06 0.00 -0.00 0.00 0.00 58.65 58.69 1sxj h GLN 593 Cb 0.28 -0.17 -0.05 0.00 0.00 0.00 0.00 27.48 27.54 1sxj h GLN 593 CO -0.09 0.49 0.07 1.49 0.00 0.00 0.00 178.83 180.79 1sxj h GLU 594 N 0.76 0.19 -1.20 1.69 4.57 -0.18 -3.34 114.58 117.07 1sxj h GLU 594 Ca 0.45 -0.01 -0.45 0.00 -1.18 0.00 0.00 59.36 58.16 1sxj h GLU 594 Cb 0.51 -0.04 -0.41 0.00 -0.16 0.00 0.00 28.75 28.65 1sxj h GLU 594 CO -0.30 0.13 -1.00 0.27 -1.18 0.00 0.00 179.01 176.93 1sxj n ASN 595 N -5.10 2.83 -0.01 1.04 6.94 -0.70 -4.74 115.26 115.52 1sxj n ASN 595 Ca 0.02 -3.13 0.12 0.00 -0.02 0.00 0.00 54.58 51.57 1sxj n ASN 595 Cb 0.17 -0.50 0.16 0.00 -2.36 0.00 0.00 39.78 37.26 1sxj n ASN 595 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1sxj n TYR 596 N -0.25 0.00 -0.14 -2.53 0.18 -0.34 -3.80 117.16 110.29 1sxj n TYR 596 Ca 0.22 0.00 0.08 0.00 1.88 0.00 0.00 57.90 60.08 1sxj n TYR 596 Cb 0.76 -0.18 0.20 0.00 -0.38 0.00 0.00 39.34 39.73 1sxj n TYR 596 CO 0.00 0.00 0.00 1.47 -2.08 0.00 0.00 176.86 176.25 1sxj n LEU 597 N -1.47 3.21 -2.63 -3.48 -0.00 -1.26 -4.52 117.00 106.85 1sxj n LEU 597 Ca 0.05 -1.88 -0.30 0.00 -0.00 0.00 0.00 56.01 53.89 1sxj n LEU 597 Cb 0.34 -0.29 0.00 0.00 -0.00 0.00 0.00 43.42 43.47 1sxj n LEU 597 CO 0.37 0.78 0.44 -1.54 -0.00 0.00 0.00 177.39 177.44 1sxj n SER 598 N 0.95 5.22 -4.20 1.45 3.41 -1.25 -5.02 113.62 114.19 1sxj n SER 598 Ca 0.16 -3.74 -0.12 0.00 -0.26 0.00 0.00 58.87 54.91 1sxj n SER 598 Cb 0.49 -0.59 -0.10 0.00 -0.26 0.00 0.00 64.21 63.75 1sxj n SER 598 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1sxj s THR 599 N -5.33 0.79 -0.61 6.66 -4.23 -1.26 -3.43 115.64 108.23 1sxj s THR 599 Ca 0.49 -1.97 -0.06 0.00 -1.18 0.00 0.00 61.69 58.97 1sxj s THR 599 Cb 0.39 -1.79 0.16 0.00 1.34 0.00 0.00 72.50 72.60 1sxj s THR 599 CO -0.22 -0.78 0.46 -0.60 -0.54 0.00 0.00 174.62 172.94 1sxj s ARG 600 N -3.83 2.67 0.41 3.99 3.00 0.14 -4.77 118.95 120.56 1sxj s ARG 600 Ca 0.15 -2.33 -0.26 0.00 -1.00 0.00 0.00 55.73 52.29 1sxj s ARG 600 Cb 0.05 -3.86 -0.10 0.00 0.00 0.00 0.00 34.95 31.03 1sxj s ARG 600 CO -0.02 -1.19 1.22 -2.30 0.00 0.00 0.00 175.30 173.01 1sxj n PRO 601 N 3.89 1.83 0.00 5.12 -0.02 -1.26 -0.73 135.00 143.84 1sxj n PRO 601 Ca 0.05 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 1sxj n PRO 601 Cb 0.40 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 1sxj n PRO 601 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1sxj n SER 602 N 0.35 0.82 -0.39 2.55 3.41 -0.72 -4.72 113.62 114.91 1sxj n SER 602 Ca 0.07 -1.31 0.06 0.00 -0.26 0.00 0.00 58.87 57.43 1sxj n SER 602 Cb 0.39 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.36 1sxj n SER 602 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1sxj n VAL 603 N -0.16 0.00 -1.69 -3.33 0.24 -1.22 -5.01 118.33 107.16 1sxj n VAL 603 Ca 0.00 -0.43 -0.39 0.00 -2.04 0.00 0.00 64.34 61.47 1sxj n VAL 603 Cb 0.28 1.20 0.03 0.00 -1.47 0.00 0.00 33.84 33.88 1sxj n VAL 603 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1sxj n LEU 604 N 0.24 4.32 -4.75 1.34 4.32 -1.26 -4.94 117.00 116.26 1sxj n LEU 604 Ca 0.06 0.99 -0.33 0.00 -0.02 0.00 0.00 56.01 56.72 1sxj n LEU 604 Cb 0.29 -1.49 0.08 0.00 -1.62 0.00 0.00 43.42 40.68 1sxj n LEU 604 CO 0.12 -0.98 0.73 -0.54 -1.22 0.00 0.00 177.39 175.50 1sxj s LYS 605 N -2.54 2.40 0.10 3.23 1.02 -1.26 -4.86 119.74 117.83 1sxj s LYS 605 Ca 0.68 1.40 -0.33 0.00 0.02 0.00 0.00 55.97 57.75 1sxj s LYS 605 Cb -0.46 -1.90 -0.12 0.00 -0.52 0.00 0.00 37.83 34.83 1sxj s LYS 605 CO 0.52 -1.56 1.75 -2.30 -0.92 0.00 0.00 175.35 172.85 1sxj n PRO 606 N -2.91 2.46 -2.81 -1.68 -0.02 -1.26 -2.11 135.00 126.67 1sxj n PRO 606 Ca 0.11 0.89 -0.07 0.00 -2.02 0.00 0.00 63.50 62.41 1sxj n PRO 606 Cb 0.52 -2.74 0.02 0.00 -0.02 0.00 0.00 33.50 31.29 1sxj n PRO 606 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sxj n GLY 607 N 3.98 0.50 3.06 -1.23 0.00 -1.26 -5.05 105.19 105.19 1sxj n GLY 607 Ca 0.18 -0.40 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 1sxj n GLY 607 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1sxj s GLN 608 N -5.36 2.31 0.43 1.61 0.74 -0.90 -5.13 119.66 113.36 1sxj s GLN 608 Ca 0.17 -0.59 -0.22 0.00 0.05 0.00 0.00 55.36 54.77 1sxj s GLN 608 Cb -0.07 -1.97 -0.10 0.00 1.10 0.00 0.00 33.01 31.97 1sxj s GLN 608 CO 0.22 -0.08 1.00 -1.54 -0.55 0.00 0.00 175.29 174.34 1sxj s SER 609 N 1.02 6.75 0.25 6.67 1.04 -1.26 -4.75 113.70 123.41 1sxj s SER 609 Ca -0.05 1.86 -0.05 0.00 0.48 0.00 0.00 55.95 58.18 1sxj s SER 609 Cb -0.15 -2.56 0.47 0.00 0.10 0.00 0.00 66.02 63.88 1sxj s SER 609 CO -0.03 -0.50 1.65 -0.74 0.98 0.00 0.00 173.24 174.61 1sxj h HIS 610 N 2.06 0.09 0.35 5.02 2.76 -2.00 -1.55 115.15 121.88 1sxj h HIS 610 Ca -0.49 0.05 -0.00 0.00 -2.20 0.00 0.00 60.37 57.73 1sxj h HIS 610 Cb 1.20 0.08 -0.03 0.00 1.55 0.00 0.00 27.41 30.22 1sxj h HIS 610 CO 0.59 -0.19 -0.39 1.25 -1.30 0.00 0.00 177.93 177.89 1sxj h LEU 611 N 0.16 -1.06 -0.49 0.26 5.85 -1.99 -1.91 115.31 116.12 1sxj h LEU 611 Ca 0.43 0.09 0.10 0.00 0.84 0.00 0.00 57.88 59.34 1sxj h LEU 611 Cb 0.76 0.36 -0.10 0.00 0.37 0.00 0.00 40.66 42.06 1sxj h LEU 611 CO -0.61 -0.52 -0.18 -0.33 -0.34 0.00 0.00 178.44 176.45 1sxj h GLU 612 N -0.77 -0.06 -0.42 1.25 5.08 -1.68 -0.07 114.58 117.91 1sxj h GLU 612 Ca -0.02 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1sxj h GLU 612 Cb 0.70 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.94 1sxj h GLU 612 CO -0.09 -0.04 0.20 0.00 -1.00 0.00 0.00 179.01 178.08 1sxj h ALA 613 N 1.34 1.57 -0.28 3.43 0.00 -1.32 -2.41 119.26 121.59 1sxj h ALA 613 Ca 0.23 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1sxj h ALA 613 Cb 0.43 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1sxj h ALA 613 CO -0.54 0.35 0.00 0.28 0.00 0.00 0.00 179.25 179.34 1sxj h VAL 614 N 0.59 1.25 -0.37 0.00 2.07 -0.24 -2.60 116.25 116.94 1sxj h VAL 614 Ca 0.15 -0.92 0.06 0.00 0.82 0.00 0.00 66.70 66.81 1sxj h VAL 614 Cb 0.06 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 1sxj h VAL 614 CO -0.02 0.29 0.25 0.00 0.02 0.00 0.00 177.57 178.12 1sxj h ALA 615 N 0.83 2.02 -0.33 1.67 0.00 -0.69 0.85 119.26 123.60 1sxj h ALA 615 Ca 0.08 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.82 1sxj h ALA 615 Cb 0.42 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1sxj h ALA 615 CO 0.01 -0.09 -0.40 0.93 0.00 0.00 0.00 179.25 179.70 1sxj h GLU 616 N 0.26 0.86 -0.03 0.00 5.08 -1.22 -1.43 114.58 118.10 1sxj h GLU 616 Ca 0.16 -0.48 -0.18 0.00 -1.00 0.00 0.00 59.36 57.87 1sxj h GLU 616 Cb 0.32 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1sxj h GLU 616 CO -0.03 1.12 -0.78 0.00 -1.00 0.00 0.00 179.01 178.32 1sxj h ALA 617 N 0.73 0.63 -0.18 3.43 0.00 -0.81 -2.28 119.26 120.78 1sxj h ALA 617 Ca 0.04 -0.65 0.03 0.00 0.00 0.00 0.00 54.91 54.33 1sxj h ALA 617 Cb 0.99 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 1sxj h ALA 617 CO 0.10 0.84 -0.00 0.00 0.00 0.00 0.00 179.25 180.18 1sxj h ALA 618 N 1.04 0.16 -0.45 0.00 0.00 0.85 0.23 119.26 121.09 1sxj h ALA 618 Ca -0.03 0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.97 1sxj h ALA 618 Cb 1.36 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 19.20 1sxj h ALA 618 CO 0.12 -0.44 0.22 -0.97 0.00 0.00 0.00 179.25 178.18 1sxj h ASN 619 N 0.06 0.31 -0.73 0.00 -0.73 -1.13 -1.08 115.58 112.28 1sxj h ASN 619 Ca 0.09 0.03 -0.05 0.00 1.87 0.00 0.00 56.30 58.23 1sxj h ASN 619 Cb 0.11 -0.03 -0.03 0.00 0.27 0.00 0.00 38.32 38.63 1sxj h ASN 619 CO -0.15 0.22 0.26 0.00 -0.37 0.00 0.00 177.43 177.40 1sxj h ILE 621 N 1.06 1.11 -0.12 0.00 1.08 -0.01 0.11 117.51 120.73 1sxj h ILE 621 Ca 0.24 -0.37 -0.00 0.00 -0.39 0.00 0.00 64.86 64.34 1sxj h ILE 621 Cb 0.26 -0.06 -0.01 0.00 -3.07 0.00 0.00 36.82 33.94 1sxj h ILE 621 CO -0.01 0.20 0.07 -1.28 -0.69 0.00 0.00 178.15 176.43 1sxj h SER 622 N 1.08 0.15 -0.31 1.72 0.87 -0.27 -2.54 113.55 114.26 1sxj h SER 622 Ca 0.37 -0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.85 1sxj h SER 622 Cb 0.07 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 61.98 1sxj h SER 622 CO -0.14 0.18 0.15 -0.07 -0.53 0.00 0.00 176.83 176.42 1sxj h LEU 623 N 0.11 0.40 -1.80 2.23 3.38 -0.38 -2.20 115.31 117.06 1sxj h LEU 623 Ca 0.04 -0.12 0.13 0.00 0.09 0.00 0.00 57.88 58.02 1sxj h LEU 623 Cb 0.06 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 1sxj h LEU 623 CO -0.01 0.41 0.39 1.23 0.09 0.00 0.00 178.44 180.55 1sxj h GLY 624 N 0.36 0.33 0.86 0.83 0.00 -0.73 -0.76 103.07 103.97 1sxj h GLY 624 Ca 0.11 -0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.33 1sxj h GLY 624 CO -0.01 0.04 -0.14 -1.80 0.00 0.00 0.00 176.54 174.64 1sxj h ASP 625 N 0.22 -0.32 -0.93 0.19 3.58 -0.96 0.17 116.42 118.37 1sxj h ASP 625 Ca 0.27 -0.09 0.24 0.00 0.42 0.00 0.00 57.03 57.87 1sxj h ASP 625 Cb 0.77 0.08 -0.13 0.00 1.72 0.00 0.00 39.33 41.78 1sxj h ASP 625 CO -0.05 -0.11 0.44 0.40 -2.88 0.00 0.00 179.24 177.04 1sxj h ILE 626 N -0.53 0.46 -0.21 2.25 2.04 -0.97 0.21 117.51 120.76 1sxj h ILE 626 Ca -0.04 -0.14 -0.02 0.00 1.00 0.00 0.00 64.86 65.66 1sxj h ILE 626 Cb 0.39 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.47 1sxj h ILE 626 CO 0.06 0.08 0.03 0.58 0.00 0.00 0.00 178.15 178.90 1sxj h VAL 627 N 0.41 1.22 -0.16 1.67 2.07 -0.84 -3.10 116.25 117.53 1sxj h VAL 627 Ca 0.60 -0.74 0.04 0.00 0.82 0.00 0.00 66.70 67.42 1sxj h VAL 627 Cb 1.16 1.31 -0.04 0.00 -1.52 0.00 0.00 31.29 32.20 1sxj h VAL 627 CO -0.54 0.23 -0.11 -0.08 0.02 0.00 0.00 177.57 177.10 1sxj h GLU 628 N 0.14 -0.10 -0.82 1.57 4.81 0.14 -1.12 114.58 119.19 1sxj h GLU 628 Ca 0.06 0.01 0.20 0.00 -0.13 0.00 0.00 59.36 59.50 1sxj h GLU 628 Cb 0.31 0.02 -0.12 0.00 0.63 0.00 0.00 28.75 29.59 1sxj h GLU 628 CO 0.00 -0.07 0.26 -0.22 -0.73 0.00 0.00 179.01 178.26 1sxj h LYS 629 N -0.11 0.29 -0.32 1.92 3.64 -1.15 0.22 116.57 121.06 1sxj h LYS 629 Ca 0.10 -0.02 -0.17 0.00 -1.27 0.00 0.00 60.65 59.29 1sxj h LYS 629 Cb 0.25 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1sxj h LYS 629 CO -0.23 0.19 -0.46 -0.22 -2.27 0.00 0.00 179.45 176.47 1sxj h LYS 630 N 0.30 0.84 -0.06 1.90 3.64 -1.34 -2.40 116.57 119.46 1sxj h LYS 630 Ca 0.49 -0.48 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 1sxj h LYS 630 Cb 0.91 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.76 1sxj h LYS 630 CO -0.55 1.12 -0.01 0.82 -2.27 0.00 0.00 179.45 178.56 1sxj h ILE 631 N 0.67 1.05 -0.52 2.00 2.04 0.55 -0.60 117.51 122.70 1sxj h ILE 631 Ca 0.04 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.69 1sxj h ILE 631 Cb 1.04 1.02 0.00 0.00 -0.74 0.00 0.00 36.82 38.14 1sxj h ILE 631 CO 0.10 0.07 0.00 0.54 0.00 0.00 0.00 178.15 178.86 1sxj n ARG 632 N -4.47 2.91 0.00 2.37 1.74 0.26 -3.81 116.66 115.66 1sxj n ARG 632 Ca -0.02 -2.17 0.07 0.00 -0.77 0.00 0.00 57.85 54.96 1sxj n ARG 632 Cb 0.13 -1.67 0.04 0.00 -1.02 0.00 0.00 32.46 29.94 1sxj n ARG 632 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1sxj n SER 633 N 0.91 1.99 -3.26 0.55 3.41 -0.24 -4.87 113.62 112.11 1sxj n SER 633 Ca 0.20 -1.49 -0.04 0.00 -0.26 0.00 0.00 58.87 57.27 1sxj n SER 633 Cb 0.66 0.11 -0.04 0.00 -0.26 0.00 0.00 64.21 64.68 1sxj n SER 633 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1sxj s SER 634 N -1.28 -0.40 0.25 4.04 0.15 -1.22 -5.00 113.70 110.25 1sxj s SER 634 Ca 0.15 0.19 0.05 0.00 0.70 0.00 0.00 55.95 57.03 1sxj s SER 634 Cb 0.11 1.50 0.27 0.00 -1.71 0.00 0.00 66.02 66.19 1sxj s SER 634 CO 0.21 -0.31 0.93 -1.84 1.20 0.00 0.00 173.24 173.43 1sxj n GLU 635 N 5.39 0.04 -2.89 5.44 0.28 -1.26 -1.74 120.64 125.89 1sxj n GLU 635 Ca -0.00 0.43 -0.31 0.00 -0.16 0.00 0.00 57.16 57.12 1sxj n GLU 635 Cb 0.51 -2.12 -0.03 0.00 1.43 0.00 0.00 31.44 31.24 1sxj n GLU 635 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1sxj n GLN 636 N -1.72 3.76 0.00 3.44 6.02 -1.26 -4.61 117.38 123.01 1sxj n GLN 636 Ca -0.00 -4.81 0.00 0.00 -0.01 0.00 0.00 57.00 52.18 1sxj n GLN 636 Cb 0.50 -2.30 0.00 0.00 1.02 0.00 0.00 30.24 29.46 1sxj n GLN 636 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1sxj n LEU 637 N -0.13 0.00 0.25 1.08 4.77 -0.71 -4.88 117.00 117.38 1sxj n LEU 637 Ca 0.35 -0.05 0.10 0.00 -0.03 0.00 0.00 56.01 56.37 1sxj n LEU 637 Cb 0.36 0.00 0.51 0.00 -2.33 0.00 0.00 43.42 41.96 1sxj n LEU 637 CO 0.39 0.06 0.95 4.11 -1.33 0.00 0.00 177.39 181.57 1sxj h TRP 638 N 0.00 0.00 0.00 -1.77 5.08 -1.82 -1.15 115.95 116.29 1sxj h TRP 638 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 1sxj h TRP 638 Cb 0.95 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.11 1sxj h TRP 638 CO 0.00 0.00 0.00 -1.13 -1.28 0.00 0.00 178.44 176.03 1sxj n SER 639 N -2.44 0.08 -0.08 0.11 3.41 -1.26 -2.30 113.62 111.15 1sxj n SER 639 Ca -0.01 -1.50 0.04 0.00 -0.26 0.00 0.00 58.87 57.14 1sxj n SER 639 Cb 0.42 -0.04 -0.03 0.00 -0.26 0.00 0.00 64.21 64.30 1sxj n SER 639 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1sxj n LEU 640 N -0.43 0.66 -0.36 1.04 7.94 -0.44 -4.66 117.00 120.75 1sxj n LEU 640 Ca 0.00 -0.61 0.06 0.00 -1.11 0.00 0.00 56.01 54.35 1sxj n LEU 640 Cb 0.02 0.00 0.22 0.00 0.53 0.00 0.00 43.42 44.19 1sxj n LEU 640 CO 0.00 0.15 1.23 -0.07 -1.11 0.00 0.00 177.39 177.59 1sxj h LEU 641 N 0.37 0.92 -0.73 -1.96 3.38 -1.67 -1.79 115.31 113.84 1sxj h LEU 641 Ca 0.00 0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.05 1sxj h LEU 641 Cb 0.22 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.78 1sxj h LEU 641 CO 0.00 0.51 0.45 -0.65 0.09 0.00 0.00 178.44 178.84 1sxj h PRO 642 N 1.01 0.83 -0.82 1.13 0.11 -1.83 0.46 132.00 132.89 1sxj h PRO 642 Ca 0.48 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.51 1sxj h PRO 642 Cb 0.42 -0.19 -0.04 0.00 0.11 0.00 0.00 31.00 31.30 1sxj h PRO 642 CO -0.25 0.55 0.39 1.25 -0.21 0.00 0.00 178.00 179.73 1sxj h LEU 643 N 0.85 1.06 -1.09 2.35 5.85 -1.68 -1.35 115.31 121.30 1sxj h LEU 643 Ca 0.31 -0.13 -0.09 0.00 0.84 0.00 0.00 57.88 58.82 1sxj h LEU 643 Cb 0.09 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.83 1sxj h LEU 643 CO -0.14 0.90 -0.29 -0.74 -0.34 0.00 0.00 178.44 177.83 1sxj h HIS 644 N 1.16 0.31 -0.15 1.25 2.76 -0.48 0.10 115.15 120.10 1sxj h HIS 644 Ca 0.28 -0.06 0.00 0.00 -2.20 0.00 0.00 60.37 58.39 1sxj h HIS 644 Cb 0.11 -0.08 -0.01 0.00 1.55 0.00 0.00 27.41 28.99 1sxj h HIS 644 CO 0.01 0.55 0.10 0.00 -1.30 0.00 0.00 177.93 177.29 1sxj h ALA 645 N 1.46 0.19 0.41 5.26 0.00 0.92 0.16 119.26 127.66 1sxj h ALA 645 Ca 0.04 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1sxj h ALA 645 Cb 0.64 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1sxj h ALA 645 CO 0.05 -0.31 -0.20 0.28 0.00 0.00 0.00 179.25 179.07 1sxj h VAL 646 N 0.19 0.57 0.00 0.00 2.07 -0.78 -2.43 116.25 115.87 1sxj h VAL 646 Ca 0.05 -0.36 -0.04 0.00 0.82 0.00 0.00 66.70 67.17 1sxj h VAL 646 Cb 0.00 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 1sxj h VAL 646 CO -0.01 0.06 -0.18 -0.07 0.02 0.00 0.00 177.57 177.39 1sxj h LEU 647 N -0.77 0.00 0.00 2.57 3.38 -0.76 -0.91 115.31 118.82 1sxj h LEU 647 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1sxj h LEU 647 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1sxj h LEU 647 CO 0.09 0.18 -1.59 -1.54 0.09 0.00 0.00 178.44 175.67 1sxj n SER 648 N -3.50 0.82 0.00 -0.43 3.41 0.56 -3.82 113.62 110.66 1sxj n SER 648 Ca -0.01 -0.23 0.00 0.00 -0.26 0.00 0.00 58.87 58.38 1sxj n SER 648 Cb 0.35 1.63 0.00 0.00 -0.26 0.00 0.00 64.21 65.93 1sxj n SER 648 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1sxj n SER 649 N -1.96 0.00 -0.27 4.04 7.64 -0.95 -4.67 113.62 117.45 1sxj n SER 649 Ca -0.02 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.85 1sxj n SER 649 Cb 0.43 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.67 1sxj n SER 649 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1sxj h VAL 650 N 0.00 0.15 0.87 0.44 2.07 -1.58 0.96 116.25 119.15 1sxj h VAL 650 Ca 0.00 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 1sxj h VAL 650 Cb 0.00 0.15 0.01 0.00 -1.52 0.00 0.00 31.29 29.92 1sxj h VAL 650 CO 0.00 0.00 -0.42 0.22 0.02 0.00 0.00 177.57 177.39 1sxj h TYR 651 N -0.07 -1.08 -0.83 1.57 3.20 -1.39 -0.86 116.97 117.50 1sxj h TYR 651 Ca 0.31 -0.03 0.18 0.00 3.14 0.00 0.00 58.73 62.33 1sxj h TYR 651 Cb 0.57 0.36 -0.11 0.00 1.54 0.00 0.00 36.73 39.09 1sxj h TYR 651 CO -0.68 -0.67 0.34 -1.35 -1.64 0.00 0.00 178.16 174.16 1sxj h PRO 652 N -1.25 0.41 0.43 1.82 0.11 -1.65 -2.23 132.00 129.64 1sxj h PRO 652 Ca -0.12 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.95 1sxj h PRO 652 Cb 0.90 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.91 1sxj h PRO 652 CO 0.20 0.27 -0.37 0.00 -0.21 0.00 0.00 178.00 177.89 1sxj h ALA 653 N 1.63 -1.09 -0.90 -0.75 0.00 -0.63 -2.31 119.26 115.21 1sxj h ALA 653 Ca 0.48 -0.15 0.26 0.00 0.00 0.00 0.00 54.91 55.50 1sxj h ALA 653 Cb 0.83 0.57 -0.04 0.00 0.00 0.00 0.00 17.79 19.15 1sxj h ALA 653 CO -0.47 -1.09 0.98 0.66 0.00 0.00 0.00 179.25 179.33 1sxj h SER 654 N -0.78 0.00 1.56 0.00 4.64 -0.54 0.49 113.55 118.91 1sxj h SER 654 Ca -0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1sxj h SER 654 Cb 0.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 1sxj h SER 654 CO -0.01 0.00 0.00 0.11 -0.87 0.00 0.00 176.83 176.06 1sxj h LYS 655 N 0.00 0.00 0.00 4.77 1.79 -1.18 -3.36 116.57 118.59 1sxj h LYS 655 Ca 0.43 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.90 1sxj h LYS 655 Cb 2.38 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 33.03 1sxj h LYS 655 CO -0.00 0.00 0.00 1.33 -1.08 0.00 0.00 179.45 179.70 1sxj n VAL 656 N -2.73 0.00 -1.01 0.50 0.24 0.14 -4.69 118.33 110.79 1sxj n VAL 656 Ca 0.04 0.00 -0.33 0.00 -2.04 0.00 0.00 64.34 62.01 1sxj n VAL 656 Cb 0.44 1.16 0.14 0.00 -1.47 0.00 0.00 33.84 34.10 1sxj n VAL 656 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1sxj s ALA 657 N 0.00 1.74 0.00 2.33 0.00 0.59 -3.99 121.76 122.43 1sxj s ALA 657 Ca 0.00 0.80 0.00 0.00 0.00 0.00 0.00 51.96 52.76 1sxj s ALA 657 Cb 0.00 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.63 1sxj s ALA 657 CO 0.00 -2.43 0.00 0.41 0.00 0.00 0.00 175.76 173.74 1sxj n GLY 658 N 0.47 -0.27 3.78 0.00 0.00 -0.37 -1.75 105.19 107.04 1sxj n GLY 658 Ca 0.13 -0.21 -0.38 0.00 0.00 0.00 0.00 46.02 45.56 1sxj n GLY 658 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1sxj s HIS 659 N 0.00 3.65 -0.66 1.61 5.65 0.09 -3.02 115.29 122.62 1sxj s HIS 659 Ca 0.00 1.02 -0.27 0.00 0.25 0.00 0.00 55.06 56.06 1sxj s HIS 659 Cb 0.00 -2.46 0.02 0.00 -1.18 0.00 0.00 32.58 28.96 1sxj s HIS 659 CO 0.00 0.42 1.32 1.41 -0.65 0.00 0.00 174.74 177.24 1sxj s MET 660 N -0.32 3.24 0.00 2.88 1.75 -1.26 0.24 119.30 125.84 1sxj s MET 660 Ca 0.26 0.05 0.00 0.00 -1.25 0.00 0.00 55.69 54.76 1sxj s MET 660 Cb -0.17 -4.15 0.00 0.00 2.84 0.00 0.00 34.83 33.36 1sxj s MET 660 CO 0.13 -2.05 0.68 0.00 -0.65 0.00 0.00 175.02 173.13 1sxj n ALA 661 N 9.43 -0.23 -1.00 4.11 0.00 -1.22 -4.81 120.51 126.78 1sxj n ALA 661 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1sxj n ALA 661 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 1sxj n ALA 661 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sxj n GLY 662 N -0.41 0.61 3.22 0.00 0.00 -1.23 -5.05 105.19 102.32 1sxj n GLY 662 Ca 0.00 -0.03 -0.12 0.00 0.00 0.00 0.00 46.02 45.87 1sxj n GLY 662 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sxj s ARG 663 N 0.00 0.68 -0.02 1.61 0.52 -1.26 -5.10 118.95 115.38 1sxj s ARG 663 Ca 0.00 -0.35 -0.30 0.00 -0.52 0.00 0.00 55.73 54.57 1sxj s ARG 663 Cb 0.00 0.30 -0.08 0.00 0.52 0.00 0.00 34.95 35.69 1sxj s ARG 663 CO 0.00 -0.19 1.95 0.42 0.02 0.00 0.00 175.30 177.49 1sxj s ILE 664 N -1.77 3.12 0.07 1.52 -1.09 -1.26 -4.98 121.20 116.80 1sxj s ILE 664 Ca -0.11 0.14 0.03 0.00 -2.23 0.00 0.00 60.65 58.49 1sxj s ILE 664 Cb -0.04 -3.10 -0.04 0.00 -1.58 0.00 0.00 42.46 37.70 1sxj s ILE 664 CO 0.01 -0.02 0.04 0.20 -1.23 0.00 0.00 174.94 173.94 1sxj s ASN 665 N 4.79 5.29 1.13 3.58 0.02 -1.26 -5.10 114.94 123.38 1sxj s ASN 665 Ca 0.87 -0.07 -0.13 0.00 -1.02 0.00 0.00 52.86 52.52 1sxj s ASN 665 Cb -0.40 -1.36 0.26 0.00 0.02 0.00 0.00 41.25 39.78 1sxj s ASN 665 CO 0.39 0.19 1.04 0.12 0.02 0.00 0.00 177.10 178.86 1sxj s PHE 666 N -1.32 1.55 0.20 2.20 5.36 -1.26 -4.82 117.98 119.89 1sxj s PHE 666 Ca 0.27 1.12 -0.30 0.00 -0.96 0.00 0.00 56.93 57.05 1sxj s PHE 666 Cb -0.12 -3.14 -0.08 0.00 -0.34 0.00 0.00 43.02 39.33 1sxj s PHE 666 CO 0.19 -3.63 1.23 0.99 -1.46 0.00 0.00 175.22 172.54 1sxj s THR 667 N -2.60 3.43 0.02 0.12 2.01 -1.26 -4.91 115.64 112.45 1sxj s THR 667 Ca 0.68 1.21 0.10 0.00 0.31 0.00 0.00 61.69 63.99 1sxj s THR 667 Cb -0.23 -3.77 -0.20 0.00 0.01 0.00 0.00 72.50 68.31 1sxj s THR 667 CO 0.63 0.20 1.00 0.00 -0.69 0.00 0.00 174.62 175.76 1sxj h ALA 668 N 5.16 0.57 -0.81 7.40 0.00 -1.91 -3.38 119.26 126.29 1sxj h ALA 668 Ca -0.45 -1.11 0.16 0.00 0.00 0.00 0.00 54.91 53.51 1sxj h ALA 668 Cb 1.21 0.14 -0.10 0.00 0.00 0.00 0.00 17.79 19.05 1sxj h ALA 668 CO 0.75 1.34 0.35 2.35 0.00 0.00 0.00 179.25 184.03 1sxj h TRP 669 N 0.00 0.59 0.00 0.00 7.01 -1.93 -1.57 115.95 120.06 1sxj h TRP 669 Ca -0.13 0.04 0.00 0.00 2.11 0.00 0.00 58.89 60.90 1sxj h TRP 669 Cb 1.84 -0.14 0.00 0.00 -2.10 0.00 0.00 29.16 28.76 1sxj h TRP 669 CO 0.00 0.06 0.00 1.28 -2.79 0.00 0.00 178.44 176.99 1sxj n LEU 670 N -4.99 0.00 0.06 0.65 4.77 -1.26 -0.18 117.00 116.05 1sxj n LEU 670 Ca 0.17 0.82 0.19 0.00 -0.03 0.00 0.00 56.01 57.15 1sxj n LEU 670 Cb 0.48 -0.32 0.71 0.00 -2.33 0.00 0.00 43.42 41.97 1sxj n LEU 670 CO 0.17 -0.32 1.17 1.23 -1.33 0.00 0.00 177.39 178.31 1sxj h GLY 671 N 0.00 0.00 2.00 -0.72 0.00 -1.83 0.63 103.07 103.15 1sxj h GLY 671 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 1sxj h GLY 671 CO 0.00 0.00 -0.24 -1.61 0.00 0.00 0.00 176.54 174.69 1sxj h GLN 672 N 0.00 0.00 0.00 4.80 5.75 -1.07 -1.65 115.11 122.94 1sxj h GLN 672 Ca 0.20 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.70 1sxj h GLN 672 Cb 0.86 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.41 1sxj h GLN 672 CO -0.00 0.24 -0.09 -0.97 -2.65 0.00 0.00 178.83 175.36 1sxj h ASN 673 N 0.00 0.00 0.01 -0.69 -1.24 0.36 -2.99 115.58 111.03 1sxj h ASN 673 Ca -0.00 -0.01 -0.00 0.00 0.71 0.00 0.00 56.30 57.00 1sxj h ASN 673 Cb 0.72 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.77 1sxj h ASN 673 CO 0.03 0.00 -0.00 0.28 -1.29 0.00 0.00 177.43 176.45 1sxj h SER 674 N 0.00 -0.01 -0.08 1.15 0.02 -0.76 -2.79 113.55 111.08 1sxj h SER 674 Ca 0.00 -0.84 0.03 0.00 -0.84 0.00 0.00 61.79 60.14 1sxj h SER 674 Cb 0.92 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.40 1sxj h SER 674 CO 0.00 0.86 -0.52 0.11 -1.14 0.00 0.00 176.83 176.14 1sxj h LYS 675 N -0.90 -0.57 -0.63 3.45 1.57 -1.46 0.54 116.57 118.56 1sxj h LYS 675 Ca -0.00 0.04 0.10 0.00 -1.87 0.00 0.00 60.65 58.91 1sxj h LYS 675 Cb 0.85 0.13 -0.07 0.00 0.08 0.00 0.00 32.23 33.21 1sxj h LYS 675 CO 0.00 -0.38 0.25 0.66 -0.57 0.00 0.00 179.45 179.41 1sxj h SER 676 N -0.59 0.27 0.65 0.86 4.64 -1.66 -2.08 113.55 115.63 1sxj h SER 676 Ca 0.02 0.08 -0.03 0.00 -0.47 0.00 0.00 61.79 61.39 1sxj h SER 676 Cb 0.67 0.04 0.01 0.00 -0.31 0.00 0.00 62.40 62.81 1sxj h SER 676 CO -0.39 0.16 -0.31 0.00 -0.87 0.00 0.00 176.83 175.41 1sxj h ALA 677 N 1.42 -0.87 0.00 5.18 0.00 -1.12 -2.29 119.26 121.58 1sxj h ALA 677 Ca 0.32 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1sxj h ALA 677 Cb 0.39 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1sxj h ALA 677 CO -0.30 -0.81 0.43 0.87 0.00 0.00 0.00 179.25 179.44 1sxj h LYS 678 N -1.23 0.00 0.00 0.00 1.57 0.16 0.33 116.57 117.40 1sxj h LYS 678 Ca -0.09 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.56 1sxj h LYS 678 Cb 0.66 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.95 1sxj h LYS 678 CO 0.15 0.00 -2.00 0.66 -0.57 0.00 0.00 179.45 177.69 1sxj n TYR 679 N -2.35 0.16 0.09 -1.35 4.02 -0.79 -3.87 117.16 113.08 1sxj n TYR 679 Ca -0.01 0.05 -0.02 0.00 -0.01 0.00 0.00 57.90 57.91 1sxj n TYR 679 Cb 0.46 -0.75 0.21 0.00 -0.02 0.00 0.00 39.34 39.24 1sxj n TYR 679 CO 0.00 0.00 0.00 1.88 -1.01 0.00 0.00 176.86 177.73 1sxj h TYR 680 N 0.00 0.28 -0.58 -0.72 -1.99 0.25 -0.95 116.97 113.26 1sxj h TYR 680 Ca -0.19 -0.08 -0.08 0.00 2.00 0.00 0.00 58.73 60.38 1sxj h TYR 680 Cb 1.45 -0.06 -0.02 0.00 2.00 0.00 0.00 36.73 40.10 1sxj h TYR 680 CO 0.00 0.64 0.06 0.00 -0.00 0.00 0.00 178.16 178.86 1sxj h ARG 681 N 0.20 0.98 0.63 4.88 3.08 -1.65 -0.13 114.38 122.37 1sxj h ARG 681 Ca 0.02 -0.28 -0.03 0.00 0.07 0.00 0.00 59.98 59.75 1sxj h ARG 681 Cb 0.85 -0.10 0.01 0.00 0.08 0.00 0.00 29.97 30.80 1sxj h ARG 681 CO 0.07 0.95 -0.30 -0.07 -1.07 0.00 0.00 179.97 179.54 1sxj h LEU 682 N 0.87 -0.72 -1.96 3.04 3.38 -1.57 -1.59 115.31 116.76 1sxj h LEU 682 Ca 0.17 0.02 0.32 0.00 0.09 0.00 0.00 57.88 58.49 1sxj h LEU 682 Cb 0.47 0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.35 1sxj h LEU 682 CO 0.02 -0.44 0.79 0.25 0.09 0.00 0.00 178.44 179.16 1sxj h LEU 683 N -1.00 0.03 0.46 1.67 5.85 -1.18 -0.89 115.31 120.25 1sxj h LEU 683 Ca -0.09 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.62 1sxj h LEU 683 Cb 0.65 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.68 1sxj h LEU 683 CO 0.14 0.00 -0.22 -0.61 -0.34 0.00 0.00 178.44 177.41 1sxj h GLN 684 N 0.02 -0.60 -0.27 1.25 4.15 -0.69 -1.80 115.11 117.17 1sxj h GLN 684 Ca 0.53 0.04 0.07 0.00 0.77 0.00 0.00 58.65 60.06 1sxj h GLN 684 Cb 2.09 0.14 -0.01 0.00 0.21 0.00 0.00 27.48 29.91 1sxj h GLN 684 CO -0.02 -0.31 0.19 1.05 -1.93 0.00 0.00 178.83 177.81 1sxj h GLU 685 N -1.03 0.05 -0.25 1.69 4.11 -0.24 0.15 114.58 119.06 1sxj h GLU 685 Ca -0.06 -0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.26 1sxj h GLU 685 Cb 0.57 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 1sxj h GLU 685 CO 0.10 0.04 -0.27 0.82 0.07 0.00 0.00 179.01 179.77 1sxj h ILE 686 N 0.06 1.27 -0.10 -1.06 1.08 -1.12 -2.99 117.51 114.65 1sxj h ILE 686 Ca 0.12 -1.31 -0.06 0.00 -0.39 0.00 0.00 64.86 63.23 1sxj h ILE 686 Cb 0.42 1.38 -0.00 0.00 -3.07 0.00 0.00 36.82 35.55 1sxj h ILE 686 CO -0.01 0.42 -0.16 -0.74 -0.69 0.00 0.00 178.15 176.97 1sxj h HIS 687 N 0.43 0.35 0.00 1.37 2.76 0.13 -2.80 115.15 117.40 1sxj h HIS 687 Ca 0.06 -0.12 0.00 0.00 -2.20 0.00 0.00 60.37 58.11 1sxj h HIS 687 Cb 0.70 -0.07 0.00 0.00 1.55 0.00 0.00 27.41 29.59 1sxj h HIS 687 CO 0.02 0.75 0.00 0.66 -1.30 0.00 0.00 177.93 178.07 1sxj n TYR 688 N -4.58 0.00 -0.32 5.26 4.02 -0.40 0.34 117.16 121.48 1sxj n TYR 688 Ca -0.07 -0.67 0.00 0.00 -0.01 0.00 0.00 57.90 57.15 1sxj n TYR 688 Cb 0.38 -0.40 0.00 0.00 -0.02 0.00 0.00 39.34 39.30 1sxj n TYR 688 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 1sxj n HIS 689 N 1.51 0.00 -0.00 -0.72 8.25 -1.17 -4.86 115.22 118.23 1sxj n HIS 689 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1sxj n HIS 689 Cb 0.36 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.47 1sxj n HIS 689 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1sxj n THR 690 N 0.00 0.00 0.33 1.59 -1.04 0.37 -4.60 114.28 110.92 1sxj n THR 690 Ca 0.00 -0.48 0.14 0.00 -2.04 0.00 0.00 64.05 61.67 1sxj n THR 690 Cb 0.00 1.00 0.74 0.00 -1.82 0.00 0.00 70.33 70.25 1sxj n THR 690 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 1sxj h ARG 691 N 0.00 0.00 -0.11 -2.82 9.65 -0.39 0.54 114.38 121.26 1sxj h ARG 691 Ca 0.00 0.00 -0.05 0.00 -1.10 0.00 0.00 59.98 58.83 1sxj h ARG 691 Cb 0.00 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.58 1sxj h ARG 691 CO 0.00 0.00 -0.13 -0.07 2.80 0.00 0.00 179.97 182.57 1sxj h LEU 692 N 0.00 0.30 -0.45 3.80 3.38 -1.83 -3.47 115.31 117.04 1sxj h LEU 692 Ca 0.01 -0.51 -0.07 0.00 0.09 0.00 0.00 57.88 57.40 1sxj h LEU 692 Cb 0.82 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 1sxj h LEU 692 CO -0.00 0.75 0.01 1.23 0.09 0.00 0.00 178.44 180.52 1sxj h GLY 693 N -0.14 0.86 -0.00 0.83 0.00 -0.22 -3.54 103.07 100.85 1sxj h GLY 693 Ca 0.01 -0.62 0.00 0.00 0.00 0.00 0.00 47.33 46.72 1sxj h GLY 693 CO 0.03 0.57 0.00 0.00 0.00 0.00 0.00 176.54 177.14