#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i0j h ALA 307 N 0.00 1.93 0.00 -1.18 0.00 -1.98 -1.86 119.26 116.17 2i0j h ALA 307 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2i0j h ALA 307 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2i0j h ALA 307 CO 0.00 0.06 0.07 -0.07 0.00 0.00 0.00 179.25 179.30 2i0j h LEU 308 N 0.19 0.00 0.00 0.00 3.38 -1.94 -1.23 115.31 115.71 2i0j h LEU 308 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2i0j h LEU 308 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2i0j h LEU 308 CO -0.01 0.00 -1.00 -1.54 0.09 0.00 0.00 178.44 175.98 2i0j n SER 309 N -2.44 0.84 -4.77 -0.43 3.41 -0.70 -4.99 113.62 104.54 2i0j n SER 309 Ca -0.02 -0.74 -0.41 0.00 -0.26 0.00 0.00 58.87 57.45 2i0j n SER 309 Cb 0.11 1.15 0.00 0.00 -0.26 0.00 0.00 64.21 65.21 2i0j n SER 309 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2i0j n LEU 310 N -1.54 4.84 -4.89 1.04 4.77 -0.47 -5.00 117.00 115.76 2i0j n LEU 310 Ca 0.02 1.21 -0.29 0.00 -0.03 0.00 0.00 56.01 56.92 2i0j n LEU 310 Cb 0.31 -1.62 -0.02 0.00 -2.33 0.00 0.00 43.42 39.76 2i0j n LEU 310 CO 0.36 0.10 0.43 0.42 -1.33 0.00 0.00 177.39 177.37 2i0j s THR 311 N -1.13 4.85 0.17 -5.08 -4.23 -1.26 -4.78 115.64 104.18 2i0j s THR 311 Ca 0.55 0.41 -0.23 0.00 -1.18 0.00 0.00 61.69 61.23 2i0j s THR 311 Cb -0.47 -3.79 0.05 0.00 1.34 0.00 0.00 72.50 69.63 2i0j s THR 311 CO 0.63 -0.65 1.40 0.00 -0.54 0.00 0.00 174.62 175.46 2i0j n ALA 312 N -1.70 -0.39 0.30 3.99 0.00 -1.26 0.14 120.51 121.59 2i0j n ALA 312 Ca 0.01 0.83 0.18 0.00 0.00 0.00 0.00 53.44 54.46 2i0j n ALA 312 Cb 0.54 -0.24 0.95 0.00 0.00 0.00 0.00 19.45 20.70 2i0j n ALA 312 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2i0j h ASP 313 N 0.00 0.00 0.47 0.00 3.32 -1.96 -1.62 116.42 116.62 2i0j h ASP 313 Ca 0.21 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.96 2i0j h ASP 313 Cb 0.44 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.00 2i0j h ASP 313 CO -0.87 0.03 -1.45 1.56 -1.72 0.00 0.00 179.24 176.79 2i0j h GLN 314 N 0.00 0.31 0.38 3.56 4.20 0.82 -2.62 115.11 121.76 2i0j h GLN 314 Ca -0.00 -0.52 -0.02 0.00 0.06 0.00 0.00 58.65 58.17 2i0j h GLN 314 Cb 0.16 0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.14 2i0j h GLN 314 CO 0.00 1.21 -0.18 1.98 -0.67 0.00 0.00 178.83 181.17 2i0j h MET 315 N 0.08 -0.49 0.27 1.46 4.05 0.35 -1.15 114.93 119.50 2i0j h MET 315 Ca -0.22 0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.24 2i0j h MET 315 Cb 2.03 0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 32.92 2i0j h MET 315 CO 0.19 -0.30 -0.29 0.28 0.23 0.00 0.00 176.91 177.02 2i0j h VAL 316 N -0.56 0.38 -0.57 -5.77 2.07 -1.48 -0.66 116.25 109.66 2i0j h VAL 316 Ca -0.05 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.58 2i0j h VAL 316 Cb 0.42 0.38 -0.11 0.00 -1.52 0.00 0.00 31.29 30.46 2i0j h VAL 316 CO 0.09 0.00 -0.24 -1.28 0.02 0.00 0.00 177.57 176.15 2i0j h SER 317 N -0.60 -0.85 0.16 0.57 0.87 -1.43 0.39 113.55 112.65 2i0j h SER 317 Ca -0.01 0.20 0.01 0.00 -1.23 0.00 0.00 61.79 60.77 2i0j h SER 317 Cb 0.56 0.47 -0.03 0.00 -0.44 0.00 0.00 62.40 62.96 2i0j h SER 317 CO -0.07 -0.26 -0.24 0.00 -0.53 0.00 0.00 176.83 175.73 2i0j h ALA 318 N 1.27 -0.43 -0.60 6.23 0.00 -0.87 -0.08 119.26 124.77 2i0j h ALA 318 Ca 0.26 -0.05 0.11 0.00 0.00 0.00 0.00 54.91 55.23 2i0j h ALA 318 Cb 0.51 0.37 -0.09 0.00 0.00 0.00 0.00 17.79 18.58 2i0j h ALA 318 CO -0.63 -0.78 0.12 -0.07 0.00 0.00 0.00 179.25 177.88 2i0j h LEU 319 N -0.46 -0.01 -0.78 0.00 3.38 0.39 0.16 115.31 117.98 2i0j h LEU 319 Ca 0.02 0.11 -0.07 0.00 0.09 0.00 0.00 57.88 58.03 2i0j h LEU 319 Cb 0.47 0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 2i0j h LEU 319 CO -0.11 0.00 0.14 -0.07 0.09 0.00 0.00 178.44 178.50 2i0j h LEU 320 N 0.25 1.01 -0.59 1.67 3.38 0.06 -2.76 115.31 118.32 2i0j h LEU 320 Ca 0.31 -0.22 -0.11 0.00 0.09 0.00 0.00 57.88 57.96 2i0j h LEU 320 Cb 0.47 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 2i0j h LEU 320 CO -0.41 0.98 -0.10 0.44 0.09 0.00 0.00 178.44 179.45 2i0j h ASP 321 N 1.00 1.02 0.13 -0.43 5.19 0.28 -3.05 116.42 120.56 2i0j h ASP 321 Ca 0.21 -0.33 -0.00 0.00 -0.62 0.00 0.00 57.03 56.28 2i0j h ASP 321 Cb 0.38 -0.28 -0.00 0.00 0.18 0.00 0.00 39.33 39.61 2i0j h ASP 321 CO 0.00 1.12 -0.01 0.00 -3.12 0.00 0.00 179.24 177.24 2i0j h ALA 322 N 0.96 1.15 -1.28 3.45 0.00 -0.46 -3.45 119.26 119.63 2i0j h ALA 322 Ca 0.14 -0.01 -0.75 0.00 0.00 0.00 0.00 54.91 54.30 2i0j h ALA 322 Cb 0.66 -0.00 0.05 0.00 0.00 0.00 0.00 17.79 18.50 2i0j h ALA 322 CO 0.05 0.02 0.26 0.39 0.00 0.00 0.00 179.25 179.96 2i0j n GLU 323 N -3.32 0.49 -1.69 0.00 -0.58 -1.15 -4.60 120.64 109.78 2i0j n GLU 323 Ca -0.03 0.18 -0.30 0.00 -0.42 0.00 0.00 57.16 56.59 2i0j n GLU 323 Cb 0.11 -1.74 0.07 0.00 -0.57 0.00 0.00 31.44 29.32 2i0j n GLU 323 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2i0j s PRO 324 N 0.36 2.36 0.85 3.49 0.04 -1.26 -5.05 135.00 135.79 2i0j s PRO 324 Ca 0.89 0.54 -0.12 0.00 0.04 0.00 0.00 61.00 62.35 2i0j s PRO 324 Cb -1.15 -1.96 0.10 0.00 0.04 0.00 0.00 34.50 31.54 2i0j s PRO 324 CO 0.54 -1.40 1.16 -1.25 0.04 0.00 0.00 177.00 176.08 2i0j s PRO 325 N -5.25 1.67 -0.41 0.56 0.04 -1.26 -5.01 135.00 125.34 2i0j s PRO 325 Ca 0.60 0.21 -0.16 0.00 0.04 0.00 0.00 61.00 61.70 2i0j s PRO 325 Cb -0.13 -1.91 0.02 0.00 0.04 0.00 0.00 34.50 32.52 2i0j s PRO 325 CO 0.53 -1.82 0.34 0.42 0.04 0.00 0.00 177.00 176.51 2i0j s ILE 326 N -3.44 5.22 0.64 0.56 1.01 -1.26 -5.07 121.20 118.86 2i0j s ILE 326 Ca 0.63 -0.58 -0.09 0.00 0.00 0.00 0.00 60.65 60.60 2i0j s ILE 326 Cb -0.13 -3.96 -0.00 0.00 0.01 0.00 0.00 42.46 38.38 2i0j s ILE 326 CO 0.51 -0.34 1.01 -0.76 0.00 0.00 0.00 174.94 175.36 2i0j s LEU 327 N 1.80 3.12 0.20 2.97 1.43 -1.26 -4.99 118.68 121.94 2i0j s LEU 327 Ca 0.07 1.07 0.05 0.00 -1.03 0.00 0.00 54.13 54.29 2i0j s LEU 327 Cb -0.18 -3.94 -0.04 0.00 0.03 0.00 0.00 46.19 42.06 2i0j s LEU 327 CO 0.11 -1.10 0.20 -0.31 0.23 0.00 0.00 176.35 175.48 2i0j s TYR 328 N -3.17 3.22 0.21 0.29 1.51 -1.26 -4.43 117.35 113.72 2i0j s TYR 328 Ca 0.55 -0.03 -0.30 0.00 -1.01 0.00 0.00 57.07 56.29 2i0j s TYR 328 Cb -0.11 -1.50 -0.08 0.00 -0.11 0.00 0.00 41.96 40.16 2i0j s TYR 328 CO 0.50 0.51 1.01 0.45 -1.11 0.00 0.00 175.55 176.91 2i0j s SER 329 N -3.45 7.47 -0.54 2.29 0.15 -1.26 -4.95 113.70 113.42 2i0j s SER 329 Ca 0.32 2.01 -0.24 0.00 0.70 0.00 0.00 55.95 58.74 2i0j s SER 329 Cb -0.09 -2.61 0.04 0.00 -1.71 0.00 0.00 66.02 61.65 2i0j s SER 329 CO 0.25 -0.01 0.94 -1.61 1.20 0.00 0.00 173.24 174.00 2i0j s GLU 330 N -0.85 3.35 0.00 5.44 2.02 -1.26 -4.90 118.70 122.51 2i0j s GLU 330 Ca 0.44 -0.21 0.00 0.00 0.02 0.00 0.00 54.97 55.22 2i0j s GLU 330 Cb -0.27 -4.04 0.00 0.00 0.10 0.00 0.00 34.13 29.92 2i0j s GLU 330 CO 0.34 -1.45 0.00 2.48 0.02 0.00 0.00 175.26 176.65 2i0j n TYR 331 N 7.42 0.00 0.11 1.61 4.11 -1.26 -4.97 117.16 124.18 2i0j n TYR 331 Ca 0.02 0.00 0.11 0.00 -0.00 0.00 0.00 57.90 58.04 2i0j n TYR 331 Cb 0.48 0.00 -0.05 0.00 -0.00 0.00 0.00 39.34 39.77 2i0j n TYR 331 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.86 176.61 2i0j n ASP 332 N 0.00 0.58 0.00 9.48 8.00 -1.26 -5.16 116.55 128.19 2i0j n ASP 332 Ca 0.00 0.19 0.00 0.00 0.71 0.00 0.00 54.79 55.69 2i0j n ASP 332 Cb 0.00 0.93 0.00 0.00 -0.02 0.00 0.00 41.12 42.03 2i0j n ASP 332 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 2i0j n SER 341 N -2.50 0.00 0.17 -2.24 2.88 -1.26 -5.21 113.62 105.46 2i0j n SER 341 Ca -0.01 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.40 2i0j n SER 341 Cb 0.55 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.93 2i0j n SER 341 CO 0.00 0.00 0.00 -0.03 -1.23 0.00 0.00 175.04 173.78 2i0j h MET 342 N 0.00 -0.42 -0.67 -1.46 4.05 -1.99 0.64 114.93 115.09 2i0j h MET 342 Ca 0.00 0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.45 2i0j h MET 342 Cb 0.00 0.09 -0.03 0.00 -0.80 0.00 0.00 31.60 30.86 2i0j h MET 342 CO 0.00 -0.11 0.43 0.52 0.23 0.00 0.00 176.91 177.98 2i0j h MET 343 N -0.74 0.90 -0.18 0.39 2.86 -2.00 0.60 114.93 116.76 2i0j h MET 343 Ca -0.04 -0.07 0.03 0.00 -2.06 0.00 0.00 59.70 57.56 2i0j h MET 343 Cb 0.50 -0.20 -0.06 0.00 0.06 0.00 0.00 31.60 31.90 2i0j h MET 343 CO 0.07 0.62 -0.51 0.78 1.06 0.00 0.00 176.91 178.93 2i0j h GLY 344 N 0.91 -1.12 0.67 8.32 0.00 -1.95 1.06 103.07 110.96 2i0j h GLY 344 Ca 0.24 0.69 0.04 0.00 0.00 0.00 0.00 47.33 48.31 2i0j h GLY 344 CO -0.05 -0.21 0.06 1.41 0.00 0.00 0.00 176.54 177.75 2i0j h LEU 345 N -0.51 0.02 -0.38 3.11 3.38 -0.49 -0.57 115.31 119.88 2i0j h LEU 345 Ca 0.04 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 2i0j h LEU 345 Cb 0.62 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 2i0j h LEU 345 CO -0.44 0.05 0.14 -0.07 0.09 0.00 0.00 178.44 178.21 2i0j h LEU 346 N 0.17 0.53 -0.13 1.67 3.38 -0.26 -1.86 115.31 118.81 2i0j h LEU 346 Ca 0.13 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2i0j h LEU 346 Cb 0.14 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2i0j h LEU 346 CO -0.18 0.56 0.06 0.74 0.09 0.00 0.00 178.44 179.71 2i0j h THR 347 N 0.46 1.13 -0.79 0.22 2.02 0.13 -0.92 112.91 115.17 2i0j h THR 347 Ca 0.13 -0.37 0.05 0.00 0.77 0.00 0.00 66.41 66.99 2i0j h THR 347 Cb 0.20 1.14 -0.05 0.00 -1.74 0.00 0.00 68.15 67.71 2i0j h THR 347 CO -0.01 0.11 0.52 -1.13 0.37 0.00 0.00 175.52 175.38 2i0j h ASN 348 N 0.07 0.78 0.05 4.18 -0.73 -1.06 -0.47 115.58 118.40 2i0j h ASN 348 Ca 0.04 -0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.21 2i0j h ASN 348 Cb 0.13 -0.17 0.00 0.00 0.27 0.00 0.00 38.32 38.55 2i0j h ASN 348 CO -0.00 0.52 -0.02 0.25 -0.37 0.00 0.00 177.43 177.80 2i0j h LEU 349 N 0.90 -0.06 -1.48 0.34 5.85 -0.93 -2.61 115.31 117.31 2i0j h LEU 349 Ca 0.33 -0.19 0.04 0.00 0.84 0.00 0.00 57.88 58.90 2i0j h LEU 349 Cb 0.16 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 2i0j h LEU 349 CO -0.11 0.15 0.39 0.00 -0.34 0.00 0.00 178.44 178.54 2i0j h ALA 350 N 0.66 1.72 -0.03 1.25 0.00 -0.46 -1.78 119.26 120.62 2i0j h ALA 350 Ca -0.01 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2i0j h ALA 350 Cb 0.24 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 2i0j h ALA 350 CO 0.01 0.21 0.00 -0.44 0.00 0.00 0.00 179.25 179.04 2i0j h ASP 351 N 0.66 0.05 0.25 0.00 3.32 -0.93 -1.39 116.42 118.38 2i0j h ASP 351 Ca 0.24 -0.28 -0.05 0.00 0.02 0.00 0.00 57.03 56.96 2i0j h ASP 351 Cb 0.13 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 2i0j h ASP 351 CO -0.07 0.32 -0.24 0.03 -1.72 0.00 0.00 179.24 177.57 2i0j h ARG 352 N -0.22 0.00 -0.08 3.56 3.08 -1.17 -2.63 114.38 116.92 2i0j h ARG 352 Ca 0.01 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.89 2i0j h ARG 352 Cb 0.29 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 2i0j h ARG 352 CO 0.00 0.24 -0.66 0.93 -1.07 0.00 0.00 179.97 179.41 2i0j h GLU 353 N 0.00 0.34 -0.98 0.04 5.08 -1.13 -3.20 114.58 114.73 2i0j h GLU 353 Ca -0.00 -0.26 0.16 0.00 -1.00 0.00 0.00 59.36 58.26 2i0j h GLU 353 Cb 0.43 0.05 -0.10 0.00 0.50 0.00 0.00 28.75 29.63 2i0j h GLU 353 CO 0.03 0.88 0.59 1.25 -1.00 0.00 0.00 179.01 180.77 2i0j h LEU 354 N 0.25 0.79 0.67 1.33 5.85 -0.86 0.97 115.31 124.31 2i0j h LEU 354 Ca -0.02 0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 2i0j h LEU 354 Cb 1.21 -0.06 0.01 0.00 0.37 0.00 0.00 40.66 42.18 2i0j h LEU 354 CO 0.11 0.33 -0.32 0.58 -0.34 0.00 0.00 178.44 178.80 2i0j h VAL 355 N 0.81 0.32 0.00 1.05 2.07 -1.60 -2.20 116.25 116.71 2i0j h VAL 355 Ca 0.54 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 68.00 2i0j h VAL 355 Cb 0.74 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 2i0j h VAL 355 CO -0.35 0.01 0.00 0.45 0.02 0.00 0.00 177.57 177.70 2i0j h HIS 356 N -0.94 0.00 -0.12 1.57 3.86 -1.45 -1.72 115.15 116.36 2i0j h HIS 356 Ca -0.09 0.00 -0.20 0.00 -1.16 0.00 0.00 60.37 58.91 2i0j h HIS 356 Cb 0.70 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.18 2i0j h HIS 356 CO -0.02 0.00 -0.75 1.98 0.86 0.00 0.00 177.93 180.00 2i0j h MET 357 N 0.00 0.60 0.15 2.45 -1.53 -0.23 -2.84 114.93 113.53 2i0j h MET 357 Ca 0.00 -0.49 -0.01 0.00 -3.44 0.00 0.00 59.70 55.77 2i0j h MET 357 Cb 0.04 0.10 0.00 0.00 -0.55 0.00 0.00 31.60 31.19 2i0j h MET 357 CO 0.00 1.11 -0.07 0.82 0.14 0.00 0.00 176.91 178.91 2i0j h ILE 358 N 0.41 0.96 -0.80 1.77 2.04 -0.92 0.62 117.51 121.59 2i0j h ILE 358 Ca -0.04 -0.50 0.14 0.00 1.00 0.00 0.00 64.86 65.45 2i0j h ILE 358 Cb 1.36 1.27 -0.06 0.00 -0.74 0.00 0.00 36.82 38.65 2i0j h ILE 358 CO 0.14 0.12 0.53 0.78 0.00 0.00 0.00 178.15 179.72 2i0j h ASN 359 N -0.44 0.52 0.76 1.72 2.35 -1.61 0.00 115.58 118.88 2i0j h ASN 359 Ca -0.02 0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 55.72 2i0j h ASN 359 Cb 0.35 -0.08 0.01 0.00 0.05 0.00 0.00 38.32 38.65 2i0j h ASN 359 CO 0.03 0.28 -0.37 -0.25 -1.65 0.00 0.00 177.43 175.47 2i0j h TRP 360 N 0.56 -0.95 -0.85 1.19 7.01 -1.23 -3.04 115.95 118.64 2i0j h TRP 360 Ca 0.39 -0.02 0.20 0.00 2.11 0.00 0.00 58.89 61.57 2i0j h TRP 360 Cb 0.73 0.31 -0.15 0.00 -2.10 0.00 0.00 29.16 27.95 2i0j h TRP 360 CO -0.00 -0.59 0.01 0.00 -2.79 0.00 0.00 178.44 175.06 2i0j h ALA 361 N -1.28 0.91 -0.17 2.65 0.00 0.14 0.77 119.26 122.27 2i0j h ALA 361 Ca -0.10 0.28 0.05 0.00 0.00 0.00 0.00 54.91 55.13 2i0j h ALA 361 Cb 0.78 0.49 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 2i0j h ALA 361 CO 0.17 -0.46 0.25 0.87 0.00 0.00 0.00 179.25 180.08 2i0j h LYS 362 N 0.08 0.00 -0.15 0.00 1.57 -0.95 0.75 116.57 117.87 2i0j h LYS 362 Ca 0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.26 2i0j h LYS 362 Cb 0.89 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.20 2i0j h LYS 362 CO -0.76 0.00 0.00 0.54 -0.57 0.00 0.00 179.45 178.66 2i0j n ARG 363 N -3.52 2.26 -2.58 3.15 1.74 0.27 -4.44 116.66 113.54 2i0j n ARG 363 Ca 0.01 -1.86 -0.43 0.00 -0.77 0.00 0.00 57.85 54.80 2i0j n ARG 363 Cb 0.36 -1.47 -0.02 0.00 -1.02 0.00 0.00 32.46 30.31 2i0j n ARG 363 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2i0j s VAL 364 N -1.83 4.40 -0.41 1.55 1.01 0.26 -4.82 120.40 120.55 2i0j s VAL 364 Ca 0.33 1.61 -0.43 0.00 0.00 0.00 0.00 61.98 63.49 2i0j s VAL 364 Cb 0.21 -4.35 -0.17 0.00 0.00 0.00 0.00 36.38 32.06 2i0j s VAL 364 CO 0.31 -0.49 1.81 -2.65 0.00 0.00 0.00 175.10 174.08 2i0j n PRO 365 N 7.01 0.52 0.00 2.72 -0.02 -1.26 -1.12 135.00 142.85 2i0j n PRO 365 Ca 0.13 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 2i0j n PRO 365 Cb 0.47 -1.82 0.00 0.00 -0.02 0.00 0.00 33.50 32.13 2i0j n PRO 365 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2i0j n GLY 366 N 4.98 1.50 0.25 -1.23 0.00 -1.26 -4.90 105.19 104.53 2i0j n GLY 366 Ca 0.35 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.24 2i0j n GLY 366 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2i0j h PHE 367 N 0.00 -0.51 -0.01 1.61 3.57 -1.42 -3.09 116.94 117.09 2i0j h PHE 367 Ca 0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 2i0j h PHE 367 Cb 0.00 0.17 -0.00 0.00 2.79 0.00 0.00 35.95 38.91 2i0j h PHE 367 CO 0.00 -0.19 0.08 -0.39 -2.23 0.00 0.00 178.31 175.58 2i0j h VAL 368 N -0.95 0.04 0.00 1.41 -1.51 -1.78 -0.66 116.25 112.80 2i0j h VAL 368 Ca -0.06 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.41 2i0j h VAL 368 Cb 0.55 0.92 0.00 0.00 -2.13 0.00 0.00 31.29 30.64 2i0j h VAL 368 CO 0.09 0.00 0.00 0.47 -1.23 0.00 0.00 177.57 176.90 2i0j n ASP 369 N -3.09 0.00 -4.97 4.19 8.00 -1.17 -4.73 116.55 114.78 2i0j n ASP 369 Ca -0.03 -0.18 -0.21 0.00 0.71 0.00 0.00 54.79 55.08 2i0j n ASP 369 Cb 0.15 -0.17 0.04 0.00 -0.02 0.00 0.00 41.12 41.11 2i0j n ASP 369 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2i0j s LEU 370 N -2.35 3.29 0.65 0.64 1.43 -0.26 -5.07 118.68 117.02 2i0j s LEU 370 Ca 0.20 -0.01 -0.13 0.00 -1.03 0.00 0.00 54.13 53.16 2i0j s LEU 370 Cb 0.11 -2.88 -0.01 0.00 0.03 0.00 0.00 46.19 43.45 2i0j s LEU 370 CO 0.23 -1.12 1.06 0.42 0.23 0.00 0.00 176.35 177.17 2i0j s THR 371 N -2.75 3.93 0.16 5.49 -4.23 -1.26 -4.84 115.64 112.14 2i0j s THR 371 Ca 0.57 0.75 -0.15 0.00 -1.18 0.00 0.00 61.69 61.68 2i0j s THR 371 Cb -0.10 -3.39 0.03 0.00 1.34 0.00 0.00 72.50 70.38 2i0j s THR 371 CO 0.38 -0.70 1.80 0.25 -0.54 0.00 0.00 174.62 175.81 2i0j h LEU 372 N -0.20 0.53 -0.97 4.79 6.46 -1.97 0.78 115.31 124.73 2i0j h LEU 372 Ca -0.45 -0.04 0.06 0.00 -0.12 0.00 0.00 57.88 57.33 2i0j h LEU 372 Cb 1.21 -0.13 -0.06 0.00 -0.73 0.00 0.00 40.66 40.95 2i0j h LEU 372 CO 0.57 0.42 0.62 -0.74 -0.62 0.00 0.00 178.44 178.69 2i0j h HIS 373 N 0.59 1.16 -0.06 1.25 2.76 -2.00 -1.19 115.15 117.66 2i0j h HIS 373 Ca 0.16 0.03 -0.14 0.00 -2.20 0.00 0.00 60.37 58.22 2i0j h HIS 373 Cb -0.02 -0.38 -0.01 0.00 1.55 0.00 0.00 27.41 28.54 2i0j h HIS 373 CO -0.04 0.61 -0.60 -0.44 -1.30 0.00 0.00 177.93 176.16 2i0j h ASP 374 N 1.14 0.22 -0.45 3.26 5.19 -1.75 -2.21 116.42 121.84 2i0j h ASP 374 Ca 0.42 -0.13 -0.09 0.00 -0.62 0.00 0.00 57.03 56.61 2i0j h ASP 374 Cb 0.15 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 39.58 2i0j h ASP 374 CO -0.17 0.77 -0.08 1.56 -3.12 0.00 0.00 179.24 178.21 2i0j h GLN 375 N 0.15 0.84 -0.30 3.56 4.20 -0.02 -2.40 115.11 121.14 2i0j h GLN 375 Ca -0.01 -0.31 -0.09 0.00 0.06 0.00 0.00 58.65 58.31 2i0j h GLN 375 Cb 1.10 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.81 2i0j h GLN 375 CO 0.09 0.94 -0.20 0.28 -0.67 0.00 0.00 178.83 179.27 2i0j h VAL 376 N 0.67 1.26 -0.02 -0.54 2.07 -1.14 -2.55 116.25 116.01 2i0j h VAL 376 Ca 0.12 -1.19 -0.16 0.00 0.82 0.00 0.00 66.70 66.29 2i0j h VAL 376 Cb 0.61 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 2i0j h VAL 376 CO 0.04 0.39 -0.70 -0.74 0.02 0.00 0.00 177.57 176.57 2i0j h HIS 377 N 0.49 0.15 -0.11 1.57 -0.00 -1.33 -0.51 115.15 115.41 2i0j h HIS 377 Ca 0.08 -0.07 -0.16 0.00 -0.00 0.00 0.00 60.37 60.22 2i0j h HIS 377 Cb 0.62 -0.02 0.01 0.00 -0.00 0.00 0.00 27.41 28.01 2i0j h HIS 377 CO 0.02 0.77 -0.54 -0.07 -0.00 0.00 0.00 177.93 178.12 2i0j h LEU 378 N 0.07 0.67 -0.15 0.26 3.38 -1.33 -2.02 115.31 116.20 2i0j h LEU 378 Ca -0.01 -0.64 -0.06 0.00 0.09 0.00 0.00 57.88 57.26 2i0j h LEU 378 Cb 1.24 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.79 2i0j h LEU 378 CO 0.10 1.20 -0.12 -0.07 0.09 0.00 0.00 178.44 179.63 2i0j h LEU 379 N 0.19 0.37 -1.09 1.67 3.38 -1.48 -1.26 115.31 117.09 2i0j h LEU 379 Ca -0.04 -0.46 0.12 0.00 0.09 0.00 0.00 57.88 57.59 2i0j h LEU 379 Cb 1.18 -0.10 -0.08 0.00 0.09 0.00 0.00 40.66 41.75 2i0j h LEU 379 CO 0.11 0.75 0.61 -0.08 0.09 0.00 0.00 178.44 179.93 2i0j h GLU 380 N -0.01 0.90 0.00 1.13 4.81 -1.14 0.22 114.58 120.49 2i0j h GLU 380 Ca 0.03 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.17 2i0j h GLU 380 Cb 0.64 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.81 2i0j h GLU 380 CO 0.03 0.60 -0.16 1.03 -0.73 0.00 0.00 179.01 179.78 2i0j h SER 381 N 0.93 0.00 0.00 1.04 0.87 -1.16 -3.36 113.55 111.87 2i0j h SER 381 Ca 0.47 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.03 2i0j h SER 381 Cb 0.50 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.46 2i0j h SER 381 CO -0.23 0.16 -0.05 0.00 -0.53 0.00 0.00 176.83 176.17 2i0j n ALA 382 N -2.16 1.79 -0.17 6.23 0.00 -0.39 -4.74 120.51 121.07 2i0j n ALA 382 Ca 0.02 -1.16 -0.08 0.00 0.00 0.00 0.00 53.44 52.22 2i0j n ALA 382 Cb 0.49 -0.12 0.01 0.00 0.00 0.00 0.00 19.45 19.83 2i0j n ALA 382 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 2i0j h TRP 383 N 0.00 0.70 -0.17 0.00 5.08 -0.79 -1.21 115.95 119.57 2i0j h TRP 383 Ca 0.00 -0.03 -0.16 0.00 1.08 0.00 0.00 58.89 59.78 2i0j h TRP 383 Cb 0.81 -0.22 -0.01 0.00 -3.00 0.00 0.00 29.16 26.75 2i0j h TRP 383 CO 0.01 0.55 -0.57 1.25 -1.28 0.00 0.00 178.44 178.39 2i0j h LEU 384 N 0.66 0.60 -0.68 0.11 5.85 -1.88 -0.80 115.31 119.18 2i0j h LEU 384 Ca 0.17 -0.33 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 2i0j h LEU 384 Cb 0.10 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 2i0j h LEU 384 CO -0.02 1.05 0.40 -0.33 -0.34 0.00 0.00 178.44 179.19 2i0j h GLU 385 N 0.41 0.92 -0.14 1.25 5.08 -1.81 0.27 114.58 120.56 2i0j h GLU 385 Ca 0.00 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 2i0j h GLU 385 Cb 1.12 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.18 2i0j h GLU 385 CO 0.11 0.66 0.05 0.82 -1.00 0.00 0.00 179.01 179.65 2i0j h ILE 386 N 0.92 1.17 -0.99 3.13 2.04 -1.01 -0.29 117.51 122.48 2i0j h ILE 386 Ca 0.24 -0.51 0.02 0.00 1.00 0.00 0.00 64.86 65.61 2i0j h ILE 386 Cb -0.02 1.25 -0.05 0.00 -0.74 0.00 0.00 36.82 37.27 2i0j h ILE 386 CO -0.04 0.15 0.65 -0.07 0.00 0.00 0.00 178.15 178.84 2i0j h LEU 387 N 0.05 1.11 -0.07 1.44 3.38 -0.88 -1.97 115.31 118.37 2i0j h LEU 387 Ca 0.04 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 2i0j h LEU 387 Cb 0.20 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 2i0j h LEU 387 CO -0.00 0.78 -0.04 0.24 0.09 0.00 0.00 178.44 179.52 2i0j h MET 388 N 1.30 0.15 0.00 1.13 2.86 -0.60 -1.25 114.93 118.52 2i0j h MET 388 Ca 0.38 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.95 2i0j h MET 388 Cb -0.09 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.57 2i0j h MET 388 CO -0.10 0.53 -0.00 0.97 1.06 0.00 0.00 176.91 179.37 2i0j h ILE 389 N -0.23 0.78 -0.15 -1.22 2.10 -0.94 0.36 117.51 118.21 2i0j h ILE 389 Ca 0.02 -0.01 -0.04 0.00 1.08 0.00 0.00 64.86 65.91 2i0j h ILE 389 Cb 0.48 1.00 -0.00 0.00 -1.09 0.00 0.00 36.82 37.21 2i0j h ILE 389 CO 0.01 0.00 -0.08 1.23 -1.08 0.00 0.00 178.15 178.24 2i0j h GLY 390 N 0.01 0.34 0.44 8.18 0.00 -1.07 -2.01 103.07 108.97 2i0j h GLY 390 Ca -0.00 -0.31 -0.02 0.00 0.00 0.00 0.00 47.33 47.00 2i0j h GLY 390 CO 0.00 0.28 -0.21 -2.00 0.00 0.00 0.00 176.54 174.61 2i0j h LEU 391 N -0.02 -0.50 -1.74 3.11 5.85 0.29 -2.19 115.31 120.10 2i0j h LEU 391 Ca 0.03 0.02 0.53 0.00 0.84 0.00 0.00 57.88 59.30 2i0j h LEU 391 Cb 0.55 0.13 -0.10 0.00 0.37 0.00 0.00 40.66 41.61 2i0j h LEU 391 CO 0.02 -0.36 1.22 0.52 -0.34 0.00 0.00 178.44 179.51 2i0j n VAL 392 N -3.59 -0.08 -0.04 1.05 0.31 0.10 -0.41 118.33 115.68 2i0j n VAL 392 Ca -0.07 1.55 -0.13 0.00 -0.01 0.00 0.00 64.34 65.67 2i0j n VAL 392 Cb 0.23 -2.56 -0.11 0.00 -0.91 0.00 0.00 33.84 30.48 2i0j n VAL 392 CO 0.00 0.00 0.00 -0.25 -1.32 0.00 0.00 176.83 175.26 2i0j h TRP 393 N 0.00 -0.00 0.00 3.52 2.91 -0.85 -3.26 115.95 118.27 2i0j h TRP 393 Ca 0.90 -0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.92 2i0j h TRP 393 Cb 3.39 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 32.04 2i0j h TRP 393 CO -0.00 0.74 0.00 2.89 -1.03 0.00 0.00 178.44 181.04 2i0j n ARG 394 N -4.74 0.24 -0.66 2.65 1.85 0.45 -2.50 116.66 113.96 2i0j n ARG 394 Ca -0.09 0.08 0.07 0.00 -1.00 0.00 0.00 57.85 56.91 2i0j n ARG 394 Cb 0.36 -1.50 0.34 0.00 -1.05 0.00 0.00 32.46 30.61 2i0j n ARG 394 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 2i0j n SER 395 N -1.34 4.67 0.04 2.89 7.64 -0.66 -4.38 113.62 122.48 2i0j n SER 395 Ca 0.10 -2.58 -0.12 0.00 1.01 0.00 0.00 58.87 57.27 2i0j n SER 395 Cb 0.21 -0.60 -0.01 0.00 -1.01 0.00 0.00 64.21 62.80 2i0j n SER 395 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 2i0j h MET 396 N 3.58 0.49 -1.01 1.43 2.86 -1.57 -3.21 114.93 117.51 2i0j h MET 396 Ca 0.00 -0.43 -0.44 0.00 -2.06 0.00 0.00 59.70 56.77 2i0j h MET 396 Cb 1.53 0.10 -0.26 0.00 0.06 0.00 0.00 31.60 33.03 2i0j h MET 396 CO 0.31 1.06 0.56 0.39 1.06 0.00 0.00 176.91 180.29 2i0j n GLU 397 N -3.84 2.07 -2.94 1.72 1.02 -1.26 -4.33 120.64 113.07 2i0j n GLU 397 Ca -0.05 -2.54 -0.13 0.00 -0.02 0.00 0.00 57.16 54.41 2i0j n GLU 397 Cb 0.74 -1.99 0.01 0.00 -0.02 0.00 0.00 31.44 30.18 2i0j n GLU 397 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2i0j n HIS 398 N -0.87 -0.08 -1.53 -0.32 8.25 -1.21 -5.11 115.22 114.35 2i0j n HIS 398 Ca 0.50 -3.17 -0.55 0.00 -0.26 0.00 0.00 57.72 54.25 2i0j n HIS 398 Cb 1.45 -0.02 -0.06 0.00 1.12 0.00 0.00 29.99 32.48 2i0j n HIS 398 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2i0j n PRO 399 N 0.12 0.50 -0.31 -0.41 -0.04 -1.26 -0.42 135.00 133.18 2i0j n PRO 399 Ca 0.16 0.18 0.00 0.00 -0.04 0.00 0.00 63.50 63.80 2i0j n PRO 399 Cb 0.73 -1.67 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 2i0j n PRO 399 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2i0j n GLY 400 N 1.91 1.37 3.22 0.55 0.00 -1.26 -5.02 105.19 105.95 2i0j n GLY 400 Ca 0.19 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.08 2i0j n GLY 400 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2i0j s LYS 401 N -0.37 0.96 -0.26 1.61 1.02 0.44 -3.81 119.74 119.33 2i0j s LYS 401 Ca 0.00 -1.40 0.00 0.00 0.02 0.00 0.00 55.97 54.60 2i0j s LYS 401 Cb 0.00 -0.45 0.04 0.00 -0.52 0.00 0.00 37.83 36.90 2i0j s LYS 401 CO 0.00 0.04 -0.08 -0.51 -0.92 0.00 0.00 175.35 173.88 2i0j s LEU 402 N -3.10 3.36 -1.40 3.17 1.43 0.47 -4.80 118.68 117.81 2i0j s LEU 402 Ca 0.14 -1.15 -0.14 0.00 -1.03 0.00 0.00 54.13 51.95 2i0j s LEU 402 Cb 0.04 -1.61 0.07 0.00 0.03 0.00 0.00 46.19 44.71 2i0j s LEU 402 CO -0.02 -0.17 2.07 -0.11 0.23 0.00 0.00 176.35 178.35 2i0j n LEU 403 N 4.56 6.48 -0.17 1.79 7.94 -1.26 -1.67 117.00 134.67 2i0j n LEU 403 Ca -0.15 -4.21 -0.01 0.00 -1.11 0.00 0.00 56.01 50.53 2i0j n LEU 403 Cb 0.44 -1.64 0.07 0.00 0.53 0.00 0.00 43.42 42.83 2i0j n LEU 403 CO 0.24 1.00 0.87 -0.26 -1.11 0.00 0.00 177.39 178.13 2i0j h PHE 404 N 6.23 0.06 -4.45 1.96 0.04 -1.79 -3.44 116.94 115.55 2i0j h PHE 404 Ca 0.51 0.04 -0.21 0.00 2.80 0.00 0.00 57.97 61.11 2i0j h PHE 404 Cb 0.68 0.05 -0.14 0.00 2.20 0.00 0.00 35.95 38.74 2i0j h PHE 404 CO 1.41 -0.08 -0.57 0.00 -0.60 0.00 0.00 178.31 178.47 2i0j s ALA 405 N -6.15 0.95 0.30 2.45 0.00 -0.79 -4.98 121.76 113.54 2i0j s ALA 405 Ca -0.13 -1.56 0.25 0.00 0.00 0.00 0.00 51.96 50.52 2i0j s ALA 405 Cb 0.17 1.24 1.18 0.00 0.00 0.00 0.00 23.12 25.70 2i0j s ALA 405 CO 0.73 -0.59 1.95 -1.35 0.00 0.00 0.00 175.76 176.50 2i0j h PRO 406 N 2.64 0.00 -0.32 0.00 0.11 -1.86 -2.56 132.00 130.00 2i0j h PRO 406 Ca -0.35 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.63 2i0j h PRO 406 Cb 1.24 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.27 2i0j h PRO 406 CO 0.53 0.19 -0.04 0.27 -0.21 0.00 0.00 178.00 178.74 2i0j n ASN 407 N -3.57 2.90 -2.85 -2.05 6.94 -1.26 -4.70 115.26 110.66 2i0j n ASN 407 Ca -0.01 -3.53 -0.09 0.00 -0.02 0.00 0.00 54.58 50.93 2i0j n ASN 407 Cb 0.33 -0.61 0.01 0.00 -2.36 0.00 0.00 39.78 37.15 2i0j n ASN 407 CO 0.00 0.00 0.00 -0.11 -1.03 0.00 0.00 177.26 176.12 2i0j n LEU 408 N -0.96 -2.78 -4.38 -4.53 7.94 -0.97 -4.82 117.00 106.50 2i0j n LEU 408 Ca 0.30 -3.29 -0.40 0.00 -1.11 0.00 0.00 56.01 51.50 2i0j n LEU 408 Cb 0.99 0.75 -0.11 0.00 0.53 0.00 0.00 43.42 45.58 2i0j n LEU 408 CO 0.18 1.96 -0.17 -0.22 -1.11 0.00 0.00 177.39 178.02 2i0j s LEU 409 N 0.19 4.58 0.22 -1.96 2.96 -1.25 -1.89 118.68 121.53 2i0j s LEU 409 Ca 0.31 -0.92 0.07 0.00 -0.22 0.00 0.00 54.13 53.37 2i0j s LEU 409 Cb 0.08 -2.01 -0.04 0.00 0.50 0.00 0.00 46.19 44.72 2i0j s LEU 409 CO -0.13 -0.35 0.12 -0.76 -1.32 0.00 0.00 176.35 173.91 2i0j s LEU 410 N 1.56 3.65 0.27 -0.68 1.43 -0.67 -4.91 118.68 119.33 2i0j s LEU 410 Ca 0.02 -0.29 0.11 0.00 -1.03 0.00 0.00 54.13 52.94 2i0j s LEU 410 Cb -0.19 -2.22 -0.05 0.00 0.03 0.00 0.00 46.19 43.76 2i0j s LEU 410 CO 0.06 0.02 -0.16 1.51 0.23 0.00 0.00 176.35 178.02 2i0j s ASP 411 N -3.46 3.81 0.25 2.29 1.47 -1.26 -0.39 116.67 119.37 2i0j s ASP 411 Ca 0.31 -0.93 0.05 0.00 1.18 0.00 0.00 52.55 53.17 2i0j s ASP 411 Cb -0.09 -0.43 0.71 0.00 -0.34 0.00 0.00 42.92 42.78 2i0j s ASP 411 CO 0.23 0.04 1.21 -1.14 0.68 0.00 0.00 175.17 176.19 2i0j n ARG 412 N -0.62 -0.06 0.33 2.11 0.63 -1.25 -0.52 116.66 117.28 2i0j n ARG 412 Ca -0.06 1.13 -0.17 0.00 -0.92 0.00 0.00 57.85 57.83 2i0j n ARG 412 Cb 0.59 -1.86 -0.09 0.00 0.45 0.00 0.00 32.46 31.56 2i0j n ARG 412 CO 0.00 0.00 0.00 -0.91 -2.51 0.00 0.00 177.63 174.21 2i0j h ASN 413 N 0.00 -0.79 0.00 6.15 2.35 -1.95 -1.97 115.58 119.36 2i0j h ASN 413 Ca 0.52 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 56.31 2i0j h ASN 413 Cb 1.17 0.22 0.00 0.00 0.05 0.00 0.00 38.32 39.77 2i0j h ASN 413 CO -0.69 -0.52 0.28 1.56 -1.65 0.00 0.00 177.43 176.40 2i0j h GLN 414 N -0.84 0.00 0.00 0.81 4.20 -1.21 0.35 115.11 118.42 2i0j h GLN 414 Ca -0.07 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.58 2i0j h GLN 414 Cb 0.67 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.44 2i0j h GLN 414 CO 0.09 0.00 -0.29 0.78 -0.67 0.00 0.00 178.83 178.74 2i0j h GLY 415 N 0.00 0.00 1.96 3.46 0.00 -1.14 -3.00 103.07 104.35 2i0j h GLY 415 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2i0j h GLY 415 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.82 2i0j n LYS 416 N -3.19 0.02 0.12 4.80 5.02 0.12 -3.03 118.16 122.03 2i0j n LYS 416 Ca 0.03 0.18 0.15 0.00 -2.02 0.00 0.00 58.31 56.65 2i0j n LYS 416 Cb 0.63 -1.50 0.69 0.00 -0.02 0.00 0.00 35.03 34.84 2i0j n LYS 416 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2i0j h SER 417 N 0.00 0.00 -4.33 4.39 0.87 -1.63 -3.41 113.55 109.44 2i0j h SER 417 Ca 0.00 0.00 -0.56 0.00 -1.23 0.00 0.00 61.79 60.00 2i0j h SER 417 Cb 0.30 0.00 -0.28 0.00 -0.44 0.00 0.00 62.40 61.99 2i0j h SER 417 CO 0.00 0.00 -0.84 -0.69 -0.53 0.00 0.00 176.83 174.77 2i0j s VAL 418 N -4.98 1.51 -0.01 2.23 1.01 -1.17 -5.06 120.40 113.94 2i0j s VAL 418 Ca -0.05 -0.95 -0.30 0.00 0.00 0.00 0.00 61.98 60.67 2i0j s VAL 418 Cb 0.18 -1.29 -0.06 0.00 0.00 0.00 0.00 36.38 35.22 2i0j s VAL 418 CO 0.68 0.31 1.44 -0.70 0.00 0.00 0.00 175.10 176.83 2i0j s GLU 419 N -0.75 4.26 0.00 2.72 2.12 -1.26 -2.74 118.70 123.05 2i0j s GLU 419 Ca 0.07 2.00 0.00 0.00 0.36 0.00 0.00 54.97 57.40 2i0j s GLU 419 Cb -0.08 -3.62 0.00 0.00 0.26 0.00 0.00 34.13 30.69 2i0j s GLU 419 CO 0.00 -0.62 0.00 0.41 -0.54 0.00 0.00 175.26 174.51 2i0j n GLY 420 N 3.71 0.99 0.11 -1.50 0.00 -1.26 -4.93 105.19 102.31 2i0j n GLY 420 Ca 0.14 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.15 2i0j n GLY 420 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2i0j h MET 421 N 3.42 0.00 -0.34 1.61 4.05 -1.72 -3.34 114.93 118.60 2i0j h MET 421 Ca 0.00 0.00 -0.09 0.00 -0.28 0.00 0.00 59.70 59.33 2i0j h MET 421 Cb 0.00 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 30.78 2i0j h MET 421 CO 0.00 0.60 -0.16 0.28 0.23 0.00 0.00 176.91 177.86 2i0j h VAL 422 N 0.00 1.25 -0.01 -5.77 2.07 -1.75 0.97 116.25 113.01 2i0j h VAL 422 Ca -0.03 -1.16 -0.00 0.00 0.82 0.00 0.00 66.70 66.33 2i0j h VAL 422 Cb 1.52 1.17 -0.00 0.00 -1.52 0.00 0.00 31.29 32.46 2i0j h VAL 422 CO 0.08 0.38 0.01 -0.33 0.02 0.00 0.00 177.57 177.73 2i0j h GLU 423 N 0.55 0.02 0.37 1.57 3.07 -1.94 0.12 114.58 118.34 2i0j h GLU 423 Ca 0.09 -0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.94 2i0j h GLU 423 Cb 0.59 -0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.47 2i0j h GLU 423 CO 0.04 0.19 -0.43 0.82 -1.40 0.00 0.00 179.01 178.22 2i0j h ILE 424 N -0.15 0.00 -0.92 3.13 1.08 -1.63 -1.21 117.51 117.80 2i0j h ILE 424 Ca 0.00 0.00 0.22 0.00 -0.39 0.00 0.00 64.86 64.70 2i0j h ILE 424 Cb 0.18 0.00 -0.17 0.00 -3.07 0.00 0.00 36.82 33.76 2i0j h ILE 424 CO -0.00 0.00 -0.05 -0.26 -0.69 0.00 0.00 178.15 177.15 2i0j h PHE 425 N -0.82 -0.18 -0.11 1.37 0.04 -0.70 0.59 116.94 117.13 2i0j h PHE 425 Ca -0.05 0.07 -0.07 0.00 2.80 0.00 0.00 57.97 60.72 2i0j h PHE 425 Cb 0.73 0.23 -0.01 0.00 2.20 0.00 0.00 35.95 39.09 2i0j h PHE 425 CO -0.26 -0.38 -0.26 -0.44 -0.60 0.00 0.00 178.31 176.36 2i0j h ASP 426 N 0.03 0.19 -0.11 2.17 3.32 -0.27 -0.49 116.42 121.26 2i0j h ASP 426 Ca 0.52 -0.06 -0.08 0.00 0.02 0.00 0.00 57.03 57.43 2i0j h ASP 426 Cb 0.96 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.46 2i0j h ASP 426 CO -0.88 0.47 -0.22 0.24 -1.72 0.00 0.00 179.24 177.12 2i0j h MET 427 N 0.18 0.35 -0.10 3.56 2.86 0.13 -0.74 114.93 121.17 2i0j h MET 427 Ca 0.03 -0.23 0.02 0.00 -2.06 0.00 0.00 59.70 57.47 2i0j h MET 427 Cb 0.57 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.23 2i0j h MET 427 CO 0.04 0.82 -0.04 -0.07 1.06 0.00 0.00 176.91 178.72 2i0j h LEU 428 N -0.08 -0.14 -0.22 1.22 3.38 -0.72 -0.25 115.31 118.50 2i0j h LEU 428 Ca 0.00 0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.06 2i0j h LEU 428 Cb 0.81 0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.60 2i0j h LEU 428 CO 0.05 -0.06 -0.06 -0.07 0.09 0.00 0.00 178.44 178.39 2i0j h LEU 429 N -0.03 -0.22 -0.83 1.67 3.38 -1.08 0.15 115.31 118.33 2i0j h LEU 429 Ca 0.05 0.07 0.15 0.00 0.09 0.00 0.00 57.88 58.24 2i0j h LEU 429 Cb 0.11 0.14 -0.09 0.00 0.09 0.00 0.00 40.66 40.91 2i0j h LEU 429 CO -0.12 -0.08 0.42 0.00 0.09 0.00 0.00 178.44 178.75 2i0j h ALA 430 N 1.21 1.24 -0.14 1.53 0.00 -0.66 -0.65 119.26 121.79 2i0j h ALA 430 Ca 0.11 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 2i0j h ALA 430 Cb 0.17 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 2i0j h ALA 430 CO -0.23 -0.11 -0.11 1.15 0.00 0.00 0.00 179.25 179.96 2i0j h THR 431 N 0.60 1.34 -0.96 0.00 2.02 -0.08 -2.45 112.91 113.38 2i0j h THR 431 Ca 0.45 -1.22 0.18 0.00 0.77 0.00 0.00 66.41 66.60 2i0j h THR 431 Cb 0.65 1.84 -0.09 0.00 -1.74 0.00 0.00 68.15 68.81 2i0j h THR 431 CO -0.37 0.35 0.61 -1.28 0.37 0.00 0.00 175.52 175.21 2i0j h SER 432 N -0.05 0.66 -0.20 4.18 0.87 0.36 -0.04 113.55 119.33 2i0j h SER 432 Ca 0.03 0.07 -0.05 0.00 -1.23 0.00 0.00 61.79 60.61 2i0j h SER 432 Cb 0.61 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.51 2i0j h SER 432 CO 0.03 0.26 -0.06 0.28 -0.53 0.00 0.00 176.83 176.81 2i0j h SER 433 N 0.66 0.40 -0.87 6.23 0.02 -1.05 -2.27 113.55 116.67 2i0j h SER 433 Ca 0.52 -0.38 0.07 0.00 -0.84 0.00 0.00 61.79 61.17 2i0j h SER 433 Cb 0.94 -0.11 -0.06 0.00 0.14 0.00 0.00 62.40 63.32 2i0j h SER 433 CO -0.28 0.69 0.57 -0.09 -1.14 0.00 0.00 176.83 176.57 2i0j h ARG 434 N 0.10 0.92 -0.34 3.45 9.65 -0.55 0.69 114.38 128.30 2i0j h ARG 434 Ca 0.05 -0.06 -0.09 0.00 -1.10 0.00 0.00 59.98 58.78 2i0j h ARG 434 Cb 0.52 -0.21 -0.01 0.00 -1.39 0.00 0.00 29.97 28.89 2i0j h ARG 434 CO 0.02 0.61 -0.14 0.74 2.80 0.00 0.00 179.97 184.00 2i0j h PHE 435 N 0.94 0.78 -0.58 2.20 -1.00 -1.17 -0.68 116.94 117.43 2i0j h PHE 435 Ca 0.38 -0.19 -0.05 0.00 2.81 0.00 0.00 57.97 60.93 2i0j h PHE 435 Cb 0.27 -0.18 -0.02 0.00 3.61 0.00 0.00 35.95 39.62 2i0j h PHE 435 CO -0.00 0.88 0.16 -0.09 -1.61 0.00 0.00 178.31 177.65 2i0j h ARG 436 N 0.46 0.92 -0.06 1.51 2.43 -0.67 0.45 114.38 119.41 2i0j h ARG 436 Ca 0.08 -0.21 -0.06 0.00 -0.81 0.00 0.00 59.98 58.98 2i0j h ARG 436 Cb 0.66 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 2i0j h ARG 436 CO 0.04 0.83 -0.22 1.98 -1.51 0.00 0.00 179.97 181.10 2i0j h MET 437 N 0.83 0.10 -0.00 0.20 4.05 0.51 -2.08 114.93 118.54 2i0j h MET 437 Ca 0.19 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.58 2i0j h MET 437 Cb 0.31 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.10 2i0j h MET 437 CO -0.00 0.33 -0.40 -1.33 0.23 0.00 0.00 176.91 175.73 2i0j n MET 438 N -4.23 0.11 -3.47 0.39 2.81 -0.28 -4.94 117.12 107.51 2i0j n MET 438 Ca -0.02 -0.06 -0.19 0.00 -1.81 0.00 0.00 57.70 55.62 2i0j n MET 438 Cb 0.31 -1.50 0.08 0.00 -0.71 0.00 0.00 33.22 31.40 2i0j n MET 438 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 2i0j n ASN 439 N -1.39 -3.69 -4.70 7.83 2.85 0.06 -4.87 115.26 111.35 2i0j n ASN 439 Ca 0.07 -0.58 -0.43 0.00 -0.11 0.00 0.00 54.58 53.52 2i0j n ASN 439 Cb 0.33 -5.02 -0.03 0.00 1.24 0.00 0.00 39.78 36.30 2i0j n ASN 439 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 2i0j n LEU 440 N -4.41 3.68 -4.87 1.20 7.94 -0.68 -4.98 117.00 114.88 2i0j n LEU 440 Ca -0.17 1.07 -0.30 0.00 -1.11 0.00 0.00 56.01 55.50 2i0j n LEU 440 Cb 0.63 -1.52 -0.02 0.00 0.53 0.00 0.00 43.42 43.03 2i0j n LEU 440 CO 0.62 0.01 0.53 -1.10 -1.11 0.00 0.00 177.39 176.34 2i0j s GLN 441 N 1.01 3.77 0.42 1.96 -1.52 -1.26 -4.93 119.66 119.10 2i0j s GLN 441 Ca 0.76 0.58 0.18 0.00 -1.95 0.00 0.00 55.36 54.93 2i0j s GLN 441 Cb -0.57 -2.29 0.92 0.00 -0.22 0.00 0.00 33.01 30.85 2i0j s GLN 441 CO 0.35 -0.17 1.88 0.78 -0.25 0.00 0.00 175.29 177.88 2i0j h GLY 442 N 0.87 0.00 1.57 3.09 0.00 -1.99 0.25 103.07 106.86 2i0j h GLY 442 Ca -0.47 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 46.71 2i0j h GLY 442 CO 0.63 0.00 -0.58 0.83 0.00 0.00 0.00 176.54 177.42 2i0j h GLU 443 N 0.00 0.45 -0.20 4.80 3.07 -1.99 -2.04 114.58 118.67 2i0j h GLU 443 Ca -0.00 -0.29 -0.21 0.00 -0.50 0.00 0.00 59.36 58.35 2i0j h GLU 443 Cb 0.59 0.04 0.01 0.00 -0.84 0.00 0.00 28.75 28.55 2i0j h GLU 443 CO 0.04 0.90 -0.70 0.93 -1.40 0.00 0.00 179.01 178.77 2i0j h GLU 444 N 0.34 0.81 0.18 2.33 5.08 -1.78 -3.11 114.58 118.44 2i0j h GLU 444 Ca 0.00 -0.61 -0.00 0.00 -1.00 0.00 0.00 59.36 57.75 2i0j h GLU 444 Cb 1.11 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 2i0j h GLU 444 CO 0.10 1.23 -0.22 0.35 -1.00 0.00 0.00 179.01 179.47 2i0j h PHE 445 N 0.58 -0.61 -1.14 4.33 3.57 -0.78 -2.00 116.94 120.89 2i0j h PHE 445 Ca -0.03 0.01 0.33 0.00 3.53 0.00 0.00 57.97 61.81 2i0j h PHE 445 Cb 1.33 0.24 -0.11 0.00 2.79 0.00 0.00 35.95 40.20 2i0j h PHE 445 CO 0.08 -0.28 0.74 -0.39 -2.23 0.00 0.00 178.31 176.23 2i0j h VAL 446 N -0.41 0.37 0.09 1.41 -1.51 -1.47 0.17 116.25 114.90 2i0j h VAL 446 Ca -0.02 -0.09 -0.00 0.00 -1.23 0.00 0.00 66.70 65.35 2i0j h VAL 446 Cb 0.36 0.08 0.00 0.00 -2.13 0.00 0.00 31.29 29.60 2i0j h VAL 446 CO -0.05 0.05 -0.04 0.00 -1.23 0.00 0.00 177.57 176.30 2i0j h LEU 448 N -0.28 0.70 -0.84 0.00 3.38 0.00 0.10 115.31 118.37 2i0j h LEU 448 Ca -0.01 -0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.02 2i0j h LEU 448 Cb 0.24 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.77 2i0j h LEU 448 CO 0.02 0.49 0.52 0.50 0.09 0.00 0.00 178.44 180.06 2i0j h LYS 449 N 0.83 0.91 0.00 1.13 3.64 -1.06 -1.40 116.57 120.61 2i0j h LYS 449 Ca 0.25 -0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 59.46 2i0j h LYS 449 Cb -0.03 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.57 2i0j h LYS 449 CO -0.09 0.60 -0.59 0.77 -2.27 0.00 0.00 179.45 177.87 2i0j h SER 450 N 0.93 0.00 0.39 4.20 0.02 -0.72 -2.84 113.55 115.54 2i0j h SER 450 Ca 0.37 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 61.19 2i0j h SER 450 Cb 0.19 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 2i0j h SER 450 CO -0.18 0.59 -0.55 0.40 -1.14 0.00 0.00 176.83 175.95 2i0j h ILE 451 N 0.00 1.38 0.48 3.27 2.04 -0.02 -2.98 117.51 121.68 2i0j h ILE 451 Ca -0.01 -1.88 -0.02 0.00 1.00 0.00 0.00 64.86 63.95 2i0j h ILE 451 Cb 1.09 1.95 0.00 0.00 -0.74 0.00 0.00 36.82 39.13 2i0j h ILE 451 CO 0.08 0.55 -0.23 0.40 0.00 0.00 0.00 178.15 178.95 2i0j h ILE 452 N 0.13 0.51 -0.69 -0.67 2.04 -1.06 0.72 117.51 118.50 2i0j h ILE 452 Ca -0.00 -0.23 0.07 0.00 1.00 0.00 0.00 64.86 65.70 2i0j h ILE 452 Cb 1.02 0.61 -0.10 0.00 -0.74 0.00 0.00 36.82 37.60 2i0j h ILE 452 CO 0.08 0.04 -0.56 0.25 0.00 0.00 0.00 178.15 177.97 2i0j h LEU 453 N -0.78 -1.95 -0.83 1.44 5.85 -1.51 0.22 115.31 117.75 2i0j h LEU 453 Ca -0.07 0.28 -0.12 0.00 0.84 0.00 0.00 57.88 58.81 2i0j h LEU 453 Cb 0.56 0.84 -0.01 0.00 0.37 0.00 0.00 40.66 42.41 2i0j h LEU 453 CO 0.11 -0.32 -0.49 -0.07 -0.34 0.00 0.00 178.44 177.33 2i0j h LEU 454 N -0.21 0.25 0.00 2.25 3.38 -1.51 -3.32 115.31 116.15 2i0j h LEU 454 Ca 0.13 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2i0j h LEU 454 Cb 0.52 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 2i0j h LEU 454 CO -0.76 0.70 -1.13 -3.20 0.09 0.00 0.00 178.44 174.14 2i0j n ASN 455 N -3.96 0.77 0.18 -0.43 2.85 0.24 -4.09 115.26 110.81 2i0j n ASN 455 Ca -0.02 0.30 -0.08 0.00 -0.11 0.00 0.00 54.58 54.67 2i0j n ASN 455 Cb 0.53 0.58 -0.04 0.00 1.24 0.00 0.00 39.78 42.10 2i0j n ASN 455 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 2i0j h SER 456 N 0.00 -0.47 -0.39 1.20 0.02 -0.68 -3.25 113.55 109.99 2i0j h SER 456 Ca -0.01 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2i0j h SER 456 Cb 1.04 0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.72 2i0j h SER 456 CO 0.00 -0.30 0.00 0.61 -1.14 0.00 0.00 176.83 176.01 2i0j n GLY 457 N -1.25 0.97 0.30 -3.77 0.00 -1.26 -4.37 105.19 95.82 2i0j n GLY 457 Ca -0.06 -0.49 0.15 0.00 0.00 0.00 0.00 46.02 45.62 2i0j n GLY 457 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2i0j h VAL 458 N 2.67 0.53 -0.71 1.61 3.04 -1.70 -2.12 116.25 119.56 2i0j h VAL 458 Ca 0.00 0.00 -0.34 0.00 -1.01 0.00 0.00 66.70 65.35 2i0j h VAL 458 Cb 0.60 0.98 -0.20 0.00 -2.01 0.00 0.00 31.29 30.66 2i0j h VAL 458 CO 0.00 0.00 0.32 -1.22 -1.01 0.00 0.00 177.57 175.66 2i0j n TYR 459 N -3.86 2.21 -2.18 3.17 4.02 -1.26 -4.09 117.16 115.17 2i0j n TYR 459 Ca -0.02 -1.65 0.01 0.00 -0.01 0.00 0.00 57.90 56.23 2i0j n TYR 459 Cb 0.12 -0.73 0.01 0.00 -0.02 0.00 0.00 39.34 38.71 2i0j n TYR 459 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 2i0j n THR 460 N -1.01 0.00 0.00 -0.72 -2.24 -0.80 -5.22 114.28 104.30 2i0j n THR 460 Ca 0.47 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 2i0j n THR 460 Cb 1.38 0.68 0.00 0.00 -2.10 0.00 0.00 70.33 70.29 2i0j n THR 460 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2i0j n PHE 461 N 0.18 0.00 -1.16 4.78 3.72 -1.24 -5.09 117.46 118.65 2i0j n PHE 461 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 2i0j n PHE 461 Cb 0.86 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.40 2i0j n PHE 461 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2i0j n SER 464 N 0.00 0.00 -3.80 4.37 2.88 -1.26 -5.16 113.62 110.65 2i0j n SER 464 Ca 0.00 -1.00 0.00 0.00 -1.33 0.00 0.00 58.87 56.54 2i0j n SER 464 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2i0j n SER 464 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2i0j n THR 465 N 0.00 0.00 -0.06 2.46 -2.24 -1.26 -4.83 114.28 108.35 2i0j n THR 465 Ca 0.00 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.58 2i0j n THR 465 Cb 0.48 -0.37 -0.13 0.00 -2.10 0.00 0.00 70.33 68.21 2i0j n THR 465 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2i0j n LEU 466 N 0.00 2.71 -0.29 3.22 0.00 -1.26 -3.36 117.00 118.02 2i0j n LEU 466 Ca 0.00 0.09 -0.01 0.00 0.00 0.00 0.00 56.01 56.09 2i0j n LEU 466 Cb 0.00 -1.02 0.12 0.00 0.00 0.00 0.00 43.42 42.52 2i0j n LEU 466 CO 0.00 0.85 1.18 0.50 0.00 0.00 0.00 177.39 179.92 2i0j h LYS 467 N -0.06 0.92 -0.41 1.96 1.63 -1.99 -1.03 116.57 117.58 2i0j h LYS 467 Ca -0.50 -0.06 0.06 0.00 -0.85 0.00 0.00 60.65 59.31 2i0j h LYS 467 Cb 1.93 -0.21 -0.05 0.00 -0.60 0.00 0.00 32.23 33.30 2i0j h LYS 467 CO -0.02 0.61 0.11 1.03 -3.45 0.00 0.00 179.45 177.73 2i0j h SER 468 N 0.94 0.08 -0.08 4.20 0.87 -1.91 -1.44 113.55 116.22 2i0j h SER 468 Ca 0.34 0.06 -0.06 0.00 -1.23 0.00 0.00 61.79 60.89 2i0j h SER 468 Cb 0.10 0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.11 2i0j h SER 468 CO -0.15 0.08 -0.12 -0.07 -0.53 0.00 0.00 176.83 176.04 2i0j h LEU 469 N 0.26 0.38 -0.04 2.23 3.38 -1.24 -2.10 115.31 118.18 2i0j h LEU 469 Ca 0.20 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 2i0j h LEU 469 Cb 0.21 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 2i0j h LEU 469 CO -0.23 0.54 0.01 -0.33 0.09 0.00 0.00 178.44 178.53 2i0j h GLU 470 N 0.37 0.07 0.61 1.13 4.39 -0.60 -2.67 114.58 117.88 2i0j h GLU 470 Ca 0.07 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.73 2i0j h GLU 470 Cb 0.45 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 2i0j h GLU 470 CO 0.03 0.27 -0.42 0.93 -1.16 0.00 0.00 179.01 178.65 2i0j h GLU 471 N -0.14 -0.95 -0.99 2.33 4.39 -1.01 -2.06 114.58 116.15 2i0j h GLU 471 Ca 0.01 0.06 0.22 0.00 0.34 0.00 0.00 59.36 60.00 2i0j h GLU 471 Cb 0.23 0.22 -0.09 0.00 -0.10 0.00 0.00 28.75 29.00 2i0j h GLU 471 CO -0.00 -0.63 0.63 0.87 -1.16 0.00 0.00 179.01 178.72 2i0j h LYS 472 N -0.98 0.52 -0.43 2.33 1.57 -1.46 0.44 116.57 118.55 2i0j h LYS 472 Ca -0.08 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.61 2i0j h LYS 472 Cb 0.80 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.98 2i0j h LYS 472 CO 0.05 0.34 0.03 0.22 -0.57 0.00 0.00 179.45 179.52 2i0j h ASP 473 N 0.54 0.73 -0.44 0.86 3.58 -1.18 -0.70 116.42 119.80 2i0j h ASP 473 Ca 0.56 -0.29 0.00 0.00 0.42 0.00 0.00 57.03 57.72 2i0j h ASP 473 Cb 1.20 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 42.03 2i0j h ASP 473 CO -0.30 0.84 0.29 -0.74 -2.88 0.00 0.00 179.24 176.44 2i0j h HIS 474 N 0.59 0.56 -0.60 0.28 2.76 -0.25 -1.34 115.15 117.15 2i0j h HIS 474 Ca 0.13 0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.28 2i0j h HIS 474 Cb 0.45 -0.19 -0.03 0.00 1.55 0.00 0.00 27.41 29.19 2i0j h HIS 474 CO 0.03 0.36 0.26 0.82 -1.30 0.00 0.00 177.93 178.10 2i0j h ILE 475 N 0.60 1.22 0.00 6.26 2.04 -1.10 -0.68 117.51 125.85 2i0j h ILE 475 Ca 0.16 -0.67 -0.01 0.00 1.00 0.00 0.00 64.86 65.33 2i0j h ILE 475 Cb -0.06 0.54 -0.00 0.00 -0.74 0.00 0.00 36.82 36.56 2i0j h ILE 475 CO -0.03 0.27 -0.07 0.45 0.00 0.00 0.00 178.15 178.76 2i0j h HIS 476 N 0.84 0.00 0.22 1.37 3.86 -0.76 -0.30 115.15 120.38 2i0j h HIS 476 Ca 0.20 0.00 -0.32 0.00 -1.16 0.00 0.00 60.37 59.09 2i0j h HIS 476 Cb 0.17 0.00 0.03 0.00 1.06 0.00 0.00 27.41 28.67 2i0j h HIS 476 CO 0.01 0.07 -1.42 0.00 0.86 0.00 0.00 177.93 177.44 2i0j h ARG 477 N 0.00 0.47 -0.28 2.45 3.08 -0.43 -1.65 114.38 118.02 2i0j h ARG 477 Ca -0.00 -0.80 -0.07 0.00 0.07 0.00 0.00 59.98 59.18 2i0j h ARG 477 Cb 0.49 0.30 -0.01 0.00 0.08 0.00 0.00 29.97 30.83 2i0j h ARG 477 CO 0.01 1.38 -0.10 0.28 -1.07 0.00 0.00 179.97 180.47 2i0j h VAL 478 N 0.13 1.29 -0.22 2.04 2.07 -0.86 -0.18 116.25 120.51 2i0j h VAL 478 Ca -0.23 -1.16 0.04 0.00 0.82 0.00 0.00 66.70 66.17 2i0j h VAL 478 Cb 2.12 1.46 -0.04 0.00 -1.52 0.00 0.00 31.29 33.31 2i0j h VAL 478 CO 0.26 0.37 -0.02 -0.07 0.02 0.00 0.00 177.57 178.13 2i0j h LEU 479 N 0.31 -0.13 -1.62 2.57 3.38 -1.11 0.10 115.31 118.82 2i0j h LEU 479 Ca 0.07 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 2i0j h LEU 479 Cb 0.60 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 2i0j h LEU 479 CO 0.03 -0.03 0.14 0.44 0.09 0.00 0.00 178.44 179.11 2i0j h ASP 480 N 0.05 0.35 -0.32 -0.43 3.32 -1.16 0.76 116.42 119.00 2i0j h ASP 480 Ca 0.11 -0.02 -0.13 0.00 0.02 0.00 0.00 57.03 57.01 2i0j h ASP 480 Cb 0.14 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 2i0j h ASP 480 CO -0.20 0.30 -0.28 0.50 -1.72 0.00 0.00 179.24 177.85 2i0j h LYS 481 N 0.40 0.82 -0.25 3.56 1.63 0.60 -2.09 116.57 121.25 2i0j h LYS 481 Ca 0.10 -0.37 -0.17 0.00 -0.85 0.00 0.00 60.65 59.37 2i0j h LYS 481 Cb 0.04 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.65 2i0j h LYS 481 CO -0.02 1.00 -0.52 0.82 -3.45 0.00 0.00 179.45 177.28 2i0j h ILE 482 N 0.70 1.29 -0.91 2.00 2.04 0.11 -1.94 117.51 120.80 2i0j h ILE 482 Ca 0.08 -1.72 0.15 0.00 1.00 0.00 0.00 64.86 64.37 2i0j h ILE 482 Cb 0.82 1.75 -0.09 0.00 -0.74 0.00 0.00 36.82 38.55 2i0j h ILE 482 CO 0.07 0.55 0.52 0.74 0.00 0.00 0.00 178.15 180.03 2i0j h THR 483 N 0.53 0.77 0.34 -0.27 2.02 -0.71 0.65 112.91 116.24 2i0j h THR 483 Ca 0.00 -0.25 -0.02 0.00 0.77 0.00 0.00 66.41 66.92 2i0j h THR 483 Cb 1.13 -0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.51 2i0j h THR 483 CO 0.12 0.13 -0.16 0.44 0.37 0.00 0.00 175.52 176.42 2i0j h ASP 484 N 0.73 -0.38 -0.83 4.18 3.32 -1.10 -2.46 116.42 119.89 2i0j h ASP 484 Ca 0.49 -0.05 0.19 0.00 0.02 0.00 0.00 57.03 57.68 2i0j h ASP 484 Cb 0.67 0.10 -0.11 0.00 0.22 0.00 0.00 39.33 40.20 2i0j h ASP 484 CO -0.34 -0.19 0.31 0.74 -1.72 0.00 0.00 179.24 178.04 2i0j h THR 485 N -0.55 0.52 0.53 0.35 2.02 -0.25 0.22 112.91 115.75 2i0j h THR 485 Ca -0.05 -0.13 -0.02 0.00 0.77 0.00 0.00 66.41 66.98 2i0j h THR 485 Cb 0.41 0.11 -0.00 0.00 -1.74 0.00 0.00 68.15 66.93 2i0j h THR 485 CO 0.08 0.07 -0.29 -0.07 0.37 0.00 0.00 175.52 175.67 2i0j h LEU 486 N 0.37 -0.71 -0.49 2.58 3.38 -0.75 0.67 115.31 120.36 2i0j h LEU 486 Ca 0.49 0.03 0.09 0.00 0.09 0.00 0.00 57.88 58.59 2i0j h LEU 486 Cb 0.87 0.20 -0.08 0.00 0.09 0.00 0.00 40.66 41.73 2i0j h LEU 486 CO -0.50 -0.48 -0.00 0.40 0.09 0.00 0.00 178.44 177.95 2i0j h ILE 487 N -0.77 0.61 -0.51 1.22 1.08 -0.79 0.09 117.51 118.44 2i0j h ILE 487 Ca -0.07 -0.04 0.09 0.00 -0.39 0.00 0.00 64.86 64.46 2i0j h ILE 487 Cb 0.61 0.49 -0.08 0.00 -3.07 0.00 0.00 36.82 34.77 2i0j h ILE 487 CO 0.09 0.02 0.06 -0.74 -0.69 0.00 0.00 178.15 176.89 2i0j h HIS 488 N 0.11 0.07 -0.53 1.37 2.76 -0.16 0.20 115.15 118.97 2i0j h HIS 488 Ca 0.25 0.03 0.10 0.00 -2.20 0.00 0.00 60.37 58.55 2i0j h HIS 488 Cb 0.37 0.04 -0.03 0.00 1.55 0.00 0.00 27.41 29.34 2i0j h HIS 488 CO -0.31 -0.06 0.36 -0.07 -1.30 0.00 0.00 177.93 176.55 2i0j h LEU 489 N 0.18 0.25 0.03 0.26 3.38 0.11 -0.99 115.31 118.54 2i0j h LEU 489 Ca 0.26 0.01 -0.26 0.00 0.09 0.00 0.00 57.88 57.98 2i0j h LEU 489 Cb 0.37 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 2i0j h LEU 489 CO -0.38 0.15 -1.32 0.24 0.09 0.00 0.00 178.44 177.22 2i0j h MET 490 N 0.28 0.07 -0.43 1.13 2.86 0.01 -2.98 114.93 115.87 2i0j h MET 490 Ca 0.25 -0.12 -0.12 0.00 -2.06 0.00 0.00 59.70 57.65 2i0j h MET 490 Cb 0.60 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.29 2i0j h MET 490 CO -0.05 0.90 -0.21 0.00 1.06 0.00 0.00 176.91 178.61 2i0j h ALA 491 N 0.86 0.83 -0.09 6.32 0.00 0.11 -2.69 119.26 124.60 2i0j h ALA 491 Ca -0.14 -0.37 -0.12 0.00 0.00 0.00 0.00 54.91 54.27 2i0j h ALA 491 Cb 1.90 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.52 2i0j h ALA 491 CO 0.13 0.64 -0.49 0.87 0.00 0.00 0.00 179.25 180.40 2i0j h LYS 492 N 0.74 0.24 0.00 0.00 1.57 -1.28 -2.97 116.57 114.87 2i0j h LYS 492 Ca 0.10 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2i0j h LYS 492 Cb 0.73 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.05 2i0j h LYS 492 CO 0.06 0.68 0.00 0.00 -0.57 0.00 0.00 179.45 179.62 2i0j n ALA 493 N -2.47 2.24 0.00 3.86 0.00 -1.07 -4.89 120.51 118.19 2i0j n ALA 493 Ca -0.02 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2i0j n ALA 493 Cb 0.54 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.60 2i0j n ALA 493 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2i0j n GLY 494 N 0.65 0.54 3.78 0.00 0.00 -1.12 -5.08 105.19 103.97 2i0j n GLY 494 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 2i0j n GLY 494 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2i0j s LEU 495 N 0.00 3.82 1.08 0.99 1.43 -1.04 -5.03 118.68 119.93 2i0j s LEU 495 Ca 0.00 2.13 -0.18 0.00 -1.03 0.00 0.00 54.13 55.05 2i0j s LEU 495 Cb 0.00 -4.52 0.24 0.00 0.03 0.00 0.00 46.19 41.94 2i0j s LEU 495 CO 0.00 -1.05 1.22 0.42 0.23 0.00 0.00 176.35 177.16 2i0j s THR 496 N -1.79 1.80 0.06 5.49 -4.23 -1.26 -4.71 115.64 111.00 2i0j s THR 496 Ca 0.70 0.00 -0.22 0.00 -1.18 0.00 0.00 61.69 60.99 2i0j s THR 496 Cb -0.23 -2.74 -0.14 0.00 1.34 0.00 0.00 72.50 70.73 2i0j s THR 496 CO 0.26 0.00 1.53 -0.07 -0.54 0.00 0.00 174.62 175.80 2i0j h LEU 497 N -2.11 0.15 -1.28 4.79 3.38 -1.99 0.11 115.31 118.36 2i0j h LEU 497 Ca -0.45 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.26 2i0j h LEU 497 Cb 1.26 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.95 2i0j h LEU 497 CO 0.36 0.36 0.30 -0.61 0.09 0.00 0.00 178.44 178.94 2i0j h GLN 498 N -0.07 0.80 -0.16 1.13 4.15 -2.00 -1.34 115.11 117.62 2i0j h GLN 498 Ca 0.03 -0.09 -0.14 0.00 0.77 0.00 0.00 58.65 59.23 2i0j h GLN 498 Cb 0.27 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.79 2i0j h GLN 498 CO 0.00 0.60 -0.48 1.96 -1.93 0.00 0.00 178.83 178.98 2i0j h GLN 499 N 0.80 0.42 -0.29 1.69 4.20 -1.85 -2.33 115.11 117.74 2i0j h GLN 499 Ca 0.20 -0.24 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 2i0j h GLN 499 Cb 0.05 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 2i0j h GLN 499 CO -0.03 0.82 0.09 1.96 -0.67 0.00 0.00 178.83 181.00 2i0j h GLN 500 N 0.34 0.46 0.00 1.46 4.20 0.29 -2.56 115.11 119.29 2i0j h GLN 500 Ca 0.02 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.63 2i0j h GLN 500 Cb 0.97 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.69 2i0j h GLN 500 CO 0.08 0.51 -0.04 1.12 -0.67 0.00 0.00 178.83 179.83 2i0j h HIS 501 N 0.32 0.00 -0.12 2.96 2.07 -1.32 -2.76 115.15 116.29 2i0j h HIS 501 Ca 0.09 0.00 -0.09 0.00 -2.85 0.00 0.00 60.37 57.53 2i0j h HIS 501 Cb 0.24 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.22 2i0j h HIS 501 CO 0.00 0.00 -0.27 1.96 -3.07 0.00 0.00 177.93 176.55 2i0j h GLN 502 N 0.00 0.39 0.00 5.12 4.20 -1.34 -1.86 115.11 121.62 2i0j h GLN 502 Ca 0.00 -0.26 -0.06 0.00 0.06 0.00 0.00 58.65 58.39 2i0j h GLN 502 Cb 0.91 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.72 2i0j h GLN 502 CO 0.00 0.87 -0.27 -0.09 -0.67 0.00 0.00 178.83 178.67 2i0j h ARG 503 N -0.03 0.00 0.15 1.46 2.43 -1.51 -0.02 114.38 116.86 2i0j h ARG 503 Ca -0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 2i0j h ARG 503 Cb 0.87 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.42 2i0j h ARG 503 CO 0.06 0.27 -0.07 1.25 -1.51 0.00 0.00 179.97 179.96 2i0j h LEU 504 N 0.00 -0.18 -1.09 3.80 5.85 -1.39 -1.08 115.31 121.22 2i0j h LEU 504 Ca -0.00 -0.32 0.05 0.00 0.84 0.00 0.00 57.88 58.45 2i0j h LEU 504 Cb 0.59 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.61 2i0j h LEU 504 CO 0.03 0.26 0.61 0.00 -0.34 0.00 0.00 178.44 179.01 2i0j h ALA 505 N 0.08 1.42 -0.56 1.25 0.00 -1.00 0.60 119.26 121.05 2i0j h ALA 505 Ca -0.02 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 2i0j h ALA 505 Cb 0.48 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2i0j h ALA 505 CO 0.03 0.47 0.12 1.96 0.00 0.00 0.00 179.25 181.83 2i0j h GLN 506 N 1.15 0.90 -0.22 0.00 4.20 -0.94 -0.93 115.11 119.27 2i0j h GLN 506 Ca 0.38 -0.23 -0.10 0.00 0.06 0.00 0.00 58.65 58.77 2i0j h GLN 506 Cb 0.07 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 27.73 2i0j h GLN 506 CO -0.13 0.85 -0.24 -0.07 -0.67 0.00 0.00 178.83 178.58 2i0j h LEU 507 N 0.80 0.58 -1.40 1.46 3.38 -0.51 -2.94 115.31 116.68 2i0j h LEU 507 Ca 0.17 -0.49 -0.05 0.00 0.09 0.00 0.00 57.88 57.61 2i0j h LEU 507 Cb 0.36 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2i0j h LEU 507 CO 0.00 0.95 -0.24 -0.07 0.09 0.00 0.00 178.44 179.17 2i0j h LEU 508 N 0.23 0.00 -0.43 1.67 3.38 -0.85 -2.01 115.31 117.30 2i0j h LEU 508 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2i0j h LEU 508 Cb 0.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.55 2i0j h LEU 508 CO 0.06 0.24 0.00 -0.07 0.09 0.00 0.00 178.44 178.76 2i0j h LEU 509 N 0.00 0.00 -0.28 1.67 3.38 -1.10 -2.90 115.31 116.08 2i0j h LEU 509 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2i0j h LEU 509 Cb 0.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 2i0j h LEU 509 CO 0.03 0.00 0.00 0.40 0.09 0.00 0.00 178.44 178.96 2i0j h ILE 510 N 0.00 0.00 0.00 1.22 2.04 -1.18 -2.84 117.51 116.75 2i0j h ILE 510 Ca 0.00 -0.84 -0.12 0.00 1.00 0.00 0.00 64.86 64.90 2i0j h ILE 510 Cb 0.77 1.83 -0.02 0.00 -0.74 0.00 0.00 36.82 38.67 2i0j h ILE 510 CO 0.00 0.00 -0.59 -0.07 0.00 0.00 0.00 178.15 177.49 2i0j h LEU 511 N 0.00 0.00 -0.84 1.44 3.38 -1.50 -1.51 115.31 116.28 2i0j h LEU 511 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2i0j h LEU 511 Cb 0.87 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.58 2i0j h LEU 511 CO 0.00 0.59 0.43 -1.28 0.09 0.00 0.00 178.44 178.27 2i0j h SER 512 N 0.00 1.07 -0.22 -0.43 0.87 -1.59 0.57 113.55 113.83 2i0j h SER 512 Ca -0.01 -0.12 -0.15 0.00 -1.23 0.00 0.00 61.79 60.29 2i0j h SER 512 Cb 1.05 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.73 2i0j h SER 512 CO 0.08 0.89 -0.39 0.45 -0.53 0.00 0.00 176.83 177.32 2i0j h HIS 513 N 1.18 0.90 0.00 2.24 3.86 -1.51 -1.99 115.15 119.84 2i0j h HIS 513 Ca 0.29 -0.26 -0.01 0.00 -1.16 0.00 0.00 60.37 59.23 2i0j h HIS 513 Cb 0.07 -0.19 -0.00 0.00 1.06 0.00 0.00 27.41 28.35 2i0j h HIS 513 CO 0.01 1.03 -0.05 0.82 0.86 0.00 0.00 177.93 180.59 2i0j h ILE 514 N 0.62 0.18 0.01 2.45 2.04 -0.60 -0.54 117.51 121.68 2i0j h ILE 514 Ca 0.05 -0.51 -0.00 0.00 1.00 0.00 0.00 64.86 65.40 2i0j h ILE 514 Cb 0.94 1.43 0.00 0.00 -0.74 0.00 0.00 36.82 38.45 2i0j h ILE 514 CO 0.09 0.05 -0.01 -0.09 0.00 0.00 0.00 178.15 178.19 2i0j h ARG 515 N 0.00 -0.02 -0.73 2.37 9.65 -0.40 -2.57 114.38 122.68 2i0j h ARG 515 Ca -0.00 0.00 0.11 0.00 -1.10 0.00 0.00 59.98 58.99 2i0j h ARG 515 Cb 0.42 0.00 -0.08 0.00 -1.39 0.00 0.00 29.97 28.93 2i0j h ARG 515 CO 0.01 0.69 0.34 1.25 2.80 0.00 0.00 179.97 185.06 2i0j h HIS 516 N -0.76 0.60 -0.48 2.20 2.76 -0.87 -0.97 115.15 117.63 2i0j h HIS 516 Ca -0.00 0.03 -0.08 0.00 -2.20 0.00 0.00 60.37 58.12 2i0j h HIS 516 Cb 0.72 -0.16 -0.02 0.00 1.55 0.00 0.00 27.41 29.50 2i0j h HIS 516 CO 0.18 0.17 -0.02 0.52 -1.30 0.00 0.00 177.93 177.48 2i0j h MET 517 N 0.55 0.81 -0.41 5.26 2.86 -1.14 -1.80 114.93 121.06 2i0j h MET 517 Ca 0.38 -0.23 -0.07 0.00 -2.06 0.00 0.00 59.70 57.72 2i0j h MET 517 Cb 0.47 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.02 2i0j h MET 517 CO -0.32 0.82 -0.05 1.03 1.06 0.00 0.00 176.91 179.46 2i0j h SER 518 N 0.75 0.65 0.05 1.22 0.87 -0.85 0.20 113.55 116.43 2i0j h SER 518 Ca 0.14 -0.16 -0.00 0.00 -1.23 0.00 0.00 61.79 60.54 2i0j h SER 518 Cb 0.48 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.27 2i0j h SER 518 CO 0.02 0.75 -0.02 0.78 -0.53 0.00 0.00 176.83 177.83 2i0j h ASN 519 N 0.63 -0.05 -0.83 6.23 2.35 -0.75 -1.31 115.58 121.86 2i0j h ASN 519 Ca 0.12 -0.21 -0.02 0.00 -0.55 0.00 0.00 56.30 55.64 2i0j h ASN 519 Cb 0.46 0.01 -0.04 0.00 0.05 0.00 0.00 38.32 38.81 2i0j h ASN 519 CO 0.02 0.18 0.43 0.11 -1.65 0.00 0.00 177.43 176.53 2i0j h LYS 520 N -0.29 1.18 -0.15 0.81 1.79 -1.11 -1.86 116.57 116.94 2i0j h LYS 520 Ca -0.01 -0.15 -0.02 0.00 -2.18 0.00 0.00 60.65 58.29 2i0j h LYS 520 Cb 0.26 -0.22 -0.01 0.00 -1.58 0.00 0.00 32.23 30.68 2i0j h LYS 520 CO 0.01 0.88 -0.01 0.78 -1.08 0.00 0.00 179.45 180.03 2i0j h GLY 521 N 1.19 0.22 1.64 3.86 0.00 -0.43 -2.70 103.07 106.85 2i0j h GLY 521 Ca 0.29 -0.11 -0.25 0.00 0.00 0.00 0.00 47.33 47.26 2i0j h GLY 521 CO -0.04 0.10 -1.25 -0.33 0.00 0.00 0.00 176.54 175.02 2i0j h MET 522 N 0.21 0.10 -0.53 4.80 2.86 -0.44 -1.61 114.93 120.32 2i0j h MET 522 Ca 0.05 -0.17 -0.02 0.00 -2.06 0.00 0.00 59.70 57.50 2i0j h MET 522 Cb 0.16 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.86 2i0j h MET 522 CO 0.00 0.99 0.25 0.93 1.06 0.00 0.00 176.91 180.15 2i0j h GLU 523 N 0.03 0.77 -0.10 1.72 5.08 -1.33 0.64 114.58 121.39 2i0j h GLU 523 Ca -0.12 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 58.12 2i0j h GLU 523 Cb 1.89 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 31.00 2i0j h GLU 523 CO 0.14 0.64 0.05 1.25 -1.00 0.00 0.00 179.01 180.09 2i0j h HIS 524 N 0.72 0.14 -0.51 4.33 2.76 -1.54 -0.77 115.15 120.28 2i0j h HIS 524 Ca 0.18 -0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.36 2i0j h HIS 524 Cb 0.13 -0.04 -0.03 0.00 1.55 0.00 0.00 27.41 29.01 2i0j h HIS 524 CO -0.00 0.19 0.32 1.25 -1.30 0.00 0.00 177.93 178.38 2i0j h LEU 525 N 0.05 0.53 -1.43 0.26 7.12 -0.86 -2.55 115.31 118.44 2i0j h LEU 525 Ca 0.03 -0.00 0.06 0.00 0.13 0.00 0.00 57.88 58.10 2i0j h LEU 525 Cb 0.10 -0.12 -0.04 0.00 -0.53 0.00 0.00 40.66 40.06 2i0j h LEU 525 CO -0.00 0.38 0.45 0.22 -0.13 0.00 0.00 178.44 179.36 2i0j h TYR 526 N 0.64 0.70 0.00 1.25 5.03 0.74 -2.33 116.97 123.00 2i0j h TYR 526 Ca 0.20 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.52 2i0j h TYR 526 Cb -0.02 -0.23 0.00 0.00 1.55 0.00 0.00 36.73 38.02 2i0j h TYR 526 CO -0.05 0.37 0.00 -1.13 -1.32 0.00 0.00 178.16 176.03 2i0j n SER 527 N -4.48 0.00 0.00 -2.11 3.41 -0.33 -5.07 113.62 105.04 2i0j n SER 527 Ca 0.10 -1.13 0.00 0.00 -0.26 0.00 0.00 58.87 57.58 2i0j n SER 527 Cb 0.23 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.18 2i0j n SER 527 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 2i0j n MET 528 N -0.80 0.06 0.00 4.33 2.81 -0.88 -5.11 117.12 117.53 2i0j n MET 528 Ca 0.12 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.01 2i0j n MET 528 Cb 0.05 -0.91 0.00 0.00 -0.71 0.00 0.00 33.22 31.65 2i0j n MET 528 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 2i0j n LEU 536 N -2.31 0.00 -0.03 4.03 7.94 -1.26 -5.01 117.00 120.36 2i0j n LEU 536 Ca 0.00 0.00 0.16 0.00 -1.11 0.00 0.00 56.01 55.06 2i0j n LEU 536 Cb 0.41 0.00 0.60 0.00 0.53 0.00 0.00 43.42 44.96 2i0j n LEU 536 CO 0.00 0.00 1.18 0.22 -1.11 0.00 0.00 177.39 177.68 2i0j h TYR 537 N 0.00 0.21 0.00 1.96 5.03 -1.99 0.63 116.97 122.80 2i0j h TYR 537 Ca 0.00 0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.31 2i0j h TYR 537 Cb 0.00 -0.07 -0.00 0.00 1.55 0.00 0.00 36.73 38.21 2i0j h TYR 537 CO 0.00 0.09 -0.39 -0.44 -1.32 0.00 0.00 178.16 176.10 2i0j h ASP 538 N 0.19 0.00 0.13 -2.11 3.32 -1.99 -2.77 116.42 113.19 2i0j h ASP 538 Ca 0.26 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 57.03 2i0j h ASP 538 Cb 0.77 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.35 2i0j h ASP 538 CO -0.04 0.02 -1.17 0.25 -1.72 0.00 0.00 179.24 176.58 2i0j h LEU 539 N 0.00 0.80 -0.39 1.55 5.85 -0.31 -2.68 115.31 120.12 2i0j h LEU 539 Ca -0.00 -0.85 -0.17 0.00 0.84 0.00 0.00 57.88 57.70 2i0j h LEU 539 Cb 1.02 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.80 2i0j h LEU 539 CO 0.00 1.57 -0.51 -0.07 -0.34 0.00 0.00 178.44 179.09 2i0j h LEU 540 N 0.14 0.88 -0.72 2.25 3.38 -0.89 -3.10 115.31 117.25 2i0j h LEU 540 Ca -0.18 -0.45 -0.10 0.00 0.09 0.00 0.00 57.88 57.23 2i0j h LEU 540 Cb 1.87 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 42.35 2i0j h LEU 540 CO 0.22 1.23 -0.15 0.25 0.09 0.00 0.00 178.44 180.08 2i0j h LEU 541 N 0.62 0.83 -2.11 1.67 5.85 -1.59 0.13 115.31 120.70 2i0j h LEU 541 Ca 0.02 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.47 2i0j h LEU 541 Cb 1.09 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.90 2i0j h LEU 541 CO 0.11 0.98 -0.02 -0.08 -0.34 0.00 0.00 178.44 179.08 2i0j h GLU 542 N 0.74 0.00 0.00 1.25 4.57 -1.45 -0.84 114.58 118.85 2i0j h GLU 542 Ca 0.12 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.30 2i0j h GLU 542 Cb 0.66 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.25 2i0j h GLU 542 CO 0.05 0.02 -0.14 0.52 -1.18 0.00 0.00 179.01 178.28 2i0j h MET 543 N 0.00 0.00 -1.02 1.92 2.86 -1.34 -3.37 114.93 113.99 2i0j h MET 543 Ca -0.00 0.00 0.25 0.00 -2.06 0.00 0.00 59.70 57.89 2i0j h MET 543 Cb 0.05 0.00 -0.11 0.00 0.06 0.00 0.00 31.60 31.59 2i0j h MET 543 CO 0.00 0.00 0.62 -0.07 1.06 0.00 0.00 176.91 178.52 2i0j h LEU 544 N -0.91 0.62 -8.35 1.22 3.38 -0.67 -3.35 115.31 107.25 2i0j h LEU 544 Ca 0.00 0.12 -0.50 0.00 0.09 0.00 0.00 57.88 57.59 2i0j h LEU 544 Cb 0.14 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 40.84 2i0j h LEU 544 CO 0.00 0.12 1.18 -0.62 0.09 0.00 0.00 178.44 179.21 2i0j s ASP 545 N -5.24 5.76 0.38 -0.43 -1.08 -0.33 -4.97 116.67 110.76 2i0j s ASP 545 Ca -0.10 -0.37 0.08 0.00 -0.52 0.00 0.00 52.55 51.64 2i0j s ASP 545 Cb 0.26 -2.55 -0.04 0.00 -1.46 0.00 0.00 42.92 39.14 2i0j s ASP 545 CO 0.80 -2.10 0.24 0.00 0.52 0.00 0.00 175.17 174.63 2i0j s ALA 546 N 7.37 3.73 0.00 3.66 0.00 -1.26 -4.91 121.76 130.36 2i0j s ALA 546 Ca 0.53 -1.89 0.00 0.00 0.00 0.00 0.00 51.96 50.60 2i0j s ALA 546 Cb -0.08 -0.79 0.00 0.00 0.00 0.00 0.00 23.12 22.25 2i0j s ALA 546 CO 0.11 -0.09 0.48 -2.39 0.00 0.00 0.00 175.76 173.87