#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 1.90 0.00 -1.18 0.00 -1.98 -1.92 119.26 116.08 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 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2i0j h ALA 307 CO 0.00 0.08 0.07 -0.07 0.00 0.00 0.00 179.25 179.33 2i0j h LEU 308 N 0.24 0.00 0.00 0.00 3.38 -1.94 -1.07 115.31 115.92 2i0j h LEU 308 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 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 -0.02 0.00 -0.97 -1.54 0.09 0.00 0.00 178.44 176.01 2i0j n SER 309 N -2.41 0.84 -4.77 -0.43 3.41 -0.72 -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 1.14 0.00 0.00 -0.26 0.00 0.00 64.21 65.20 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 -1.52 4.80 -4.88 1.04 4.77 -0.41 -5.00 117.00 115.81 2i0j n LEU 310 Ca 0.02 1.21 -0.30 0.00 -0.03 0.00 0.00 56.01 56.91 2i0j n LEU 310 Cb 0.29 -1.61 -0.03 0.00 -2.33 0.00 0.00 43.42 39.74 2i0j n LEU 310 CO 0.34 0.09 0.41 0.42 -1.33 0.00 0.00 177.39 177.32 2i0j s THR 311 N -1.13 4.84 0.16 -5.08 -4.23 -1.26 -4.78 115.64 104.16 2i0j s THR 311 Ca 0.55 0.48 -0.22 0.00 -1.18 0.00 0.00 61.69 61.32 2i0j s THR 311 Cb -0.47 -3.75 0.06 0.00 1.34 0.00 0.00 72.50 69.67 2i0j s THR 311 CO 0.63 -0.55 1.33 0.00 -0.54 0.00 0.00 174.62 175.49 2i0j n ALA 312 N -1.41 -0.36 0.30 3.99 0.00 -1.26 0.16 120.51 121.94 2i0j n ALA 312 Ca 0.02 0.78 0.18 0.00 0.00 0.00 0.00 53.44 54.42 2i0j n ALA 312 Cb 0.54 -0.23 0.96 0.00 0.00 0.00 0.00 19.45 20.72 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 0.43 0.00 3.32 -1.96 -1.62 116.42 116.58 2i0j h ASP 313 Ca 0.21 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.95 2i0j h ASP 313 Cb 0.42 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.98 2i0j h ASP 313 CO -0.83 0.03 -1.48 1.56 -1.72 0.00 0.00 179.24 176.80 2i0j h GLN 314 N 0.00 0.33 0.43 3.56 4.20 0.12 -2.60 115.11 121.15 2i0j h GLN 314 Ca -0.00 -0.57 -0.02 0.00 0.06 0.00 0.00 58.65 58.12 2i0j h GLN 314 Cb 0.17 0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.17 2i0j h GLN 314 CO 0.00 1.23 -0.21 1.98 -0.67 0.00 0.00 178.83 181.17 2i0j h MET 315 N 0.09 -0.55 0.22 1.46 4.05 0.32 -0.96 114.93 119.56 2i0j h MET 315 Ca -0.23 0.04 0.01 0.00 -0.28 0.00 0.00 59.70 59.23 2i0j h MET 315 Cb 2.05 0.13 -0.03 0.00 -0.80 0.00 0.00 31.60 32.95 2i0j h MET 315 CO 0.20 -0.36 -0.28 0.28 0.23 0.00 0.00 176.91 176.98 2i0j h VAL 316 N -0.60 0.40 -0.55 -5.77 2.07 -1.46 -0.65 116.25 109.69 2i0j h VAL 316 Ca -0.06 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.57 2i0j h VAL 316 Cb 0.45 0.40 -0.11 0.00 -1.52 0.00 0.00 31.29 30.52 2i0j h VAL 316 CO 0.10 0.00 -0.24 -1.28 0.02 0.00 0.00 177.57 176.16 2i0j h SER 317 N -0.56 -0.85 0.14 0.57 0.87 -1.42 0.37 113.55 112.68 2i0j h SER 317 Ca 0.00 0.20 0.01 0.00 -1.23 0.00 0.00 61.79 60.77 2i0j h SER 317 Cb 0.54 0.46 -0.03 0.00 -0.44 0.00 0.00 62.40 62.93 2i0j h SER 317 CO -0.09 -0.26 -0.23 0.00 -0.53 0.00 0.00 176.83 175.71 2i0j h ALA 318 N 1.24 -0.41 -0.58 6.23 0.00 -0.84 -0.08 119.26 124.82 2i0j h ALA 318 Ca 0.25 -0.04 0.11 0.00 0.00 0.00 0.00 54.91 55.22 2i0j h ALA 318 Cb 0.50 0.36 -0.08 0.00 0.00 0.00 0.00 17.79 18.56 2i0j h ALA 318 CO -0.62 -0.77 0.11 -0.07 0.00 0.00 0.00 179.25 177.90 2i0j h LEU 319 N -0.44 -0.03 -0.73 0.00 3.38 0.31 0.14 115.31 117.94 2i0j h LEU 319 Ca 0.02 0.11 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 2i0j h LEU 319 Cb 0.45 0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 2i0j h LEU 319 CO -0.11 -0.00 0.22 -0.07 0.09 0.00 0.00 178.44 178.56 2i0j h LEU 320 N 0.24 1.08 -0.58 1.67 3.38 0.01 -2.77 115.31 118.33 2i0j h LEU 320 Ca 0.30 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 57.98 2i0j h LEU 320 Cb 0.45 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 2i0j h LEU 320 CO -0.40 1.01 0.05 0.44 0.09 0.00 0.00 178.44 179.63 2i0j h ASP 321 N 1.09 0.97 0.09 -0.43 5.19 0.16 -3.00 116.42 120.49 2i0j h ASP 321 Ca 0.23 -0.28 -0.00 0.00 -0.62 0.00 0.00 57.03 56.36 2i0j h ASP 321 Cb 0.33 -0.26 -0.00 0.00 0.18 0.00 0.00 39.33 39.58 2i0j h ASP 321 CO -0.00 1.01 -0.00 0.00 -3.12 0.00 0.00 179.24 177.12 2i0j h ALA 322 N 0.99 1.01 -1.43 3.45 0.00 -0.48 -3.45 119.26 119.36 2i0j h ALA 322 Ca 0.17 -0.00 -0.73 0.00 0.00 0.00 0.00 54.91 54.36 2i0j h ALA 322 Cb 0.48 -0.00 0.05 0.00 0.00 0.00 0.00 17.79 18.32 2i0j h ALA 322 CO 0.02 0.00 0.35 0.39 0.00 0.00 0.00 179.25 180.01 2i0j n GLU 323 N -3.10 0.73 -1.68 0.00 -0.58 -1.14 -4.61 120.64 110.26 2i0j n GLU 323 Ca -0.03 0.26 -0.30 0.00 -0.42 0.00 0.00 57.16 56.67 2i0j n GLU 323 Cb 0.09 -1.86 0.06 0.00 -0.57 0.00 0.00 31.44 29.17 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 0.55 2.60 0.89 3.49 0.04 -1.26 -5.05 135.00 136.25 2i0j s PRO 324 Ca 0.88 0.65 -0.12 0.00 0.04 0.00 0.00 61.00 62.45 2i0j s PRO 324 Cb -1.08 -1.98 0.13 0.00 0.04 0.00 0.00 34.50 31.61 2i0j s PRO 324 CO 0.52 -1.26 1.15 -1.25 0.04 0.00 0.00 177.00 176.19 2i0j s PRO 325 N -5.20 1.29 -0.42 0.56 0.04 -1.26 -5.01 135.00 125.01 2i0j s PRO 325 Ca 0.59 0.25 -0.16 0.00 0.04 0.00 0.00 61.00 61.73 2i0j s PRO 325 Cb -0.13 -1.86 0.02 0.00 0.04 0.00 0.00 34.50 32.57 2i0j s PRO 325 CO 0.54 -2.09 0.34 0.42 0.04 0.00 0.00 177.00 176.25 2i0j s ILE 326 N -3.34 5.21 0.66 0.56 1.01 -1.26 -5.07 121.20 118.98 2i0j s ILE 326 Ca 0.63 -0.59 -0.10 0.00 0.00 0.00 0.00 60.65 60.60 2i0j s ILE 326 Cb -0.14 -3.97 0.01 0.00 0.01 0.00 0.00 42.46 38.37 2i0j s ILE 326 CO 0.52 -0.35 1.03 -0.76 0.00 0.00 0.00 174.94 175.38 2i0j s LEU 327 N 1.81 3.02 0.22 2.97 1.43 -1.26 -4.99 118.68 121.88 2i0j s LEU 327 Ca 0.07 1.00 0.06 0.00 -1.03 0.00 0.00 54.13 54.23 2i0j s LEU 327 Cb -0.19 -3.82 -0.04 0.00 0.03 0.00 0.00 46.19 42.18 2i0j s LEU 327 CO 0.11 -1.23 0.18 -0.31 0.23 0.00 0.00 176.35 175.33 2i0j s TYR 328 N -3.23 3.14 0.18 0.29 1.51 -1.26 -4.42 117.35 113.56 2i0j s TYR 328 Ca 0.57 -0.07 -0.30 0.00 -1.01 0.00 0.00 57.07 56.26 2i0j s TYR 328 Cb -0.11 -1.45 -0.08 0.00 -0.11 0.00 0.00 41.96 40.22 2i0j s TYR 328 CO 0.50 0.52 0.99 0.45 -1.11 0.00 0.00 175.55 176.89 2i0j s SER 329 N -3.55 7.50 -0.55 2.29 0.15 -1.26 -4.95 113.70 113.33 2i0j s SER 329 Ca 0.32 1.94 -0.25 0.00 0.70 0.00 0.00 55.95 58.66 2i0j s SER 329 Cb -0.09 -2.60 0.04 0.00 -1.71 0.00 0.00 66.02 61.66 2i0j s SER 329 CO 0.24 -0.01 0.97 -1.61 1.20 0.00 0.00 173.24 174.03 2i0j s GLU 330 N -0.61 3.37 0.00 5.44 2.02 -1.26 -4.89 118.70 122.77 2i0j s GLU 330 Ca 0.45 -0.16 0.00 0.00 0.02 0.00 0.00 54.97 55.28 2i0j s GLU 330 Cb -0.26 -4.04 0.00 0.00 0.10 0.00 0.00 34.13 29.93 2i0j s GLU 330 CO 0.32 -1.49 0.00 2.48 0.02 0.00 0.00 175.26 176.60 2i0j n TYR 331 N 7.57 0.00 -0.05 1.61 4.11 -1.26 -4.97 117.16 124.17 2i0j n TYR 331 Ca 0.03 0.00 -0.13 0.00 -0.00 0.00 0.00 57.90 57.80 2i0j n TYR 331 Cb 0.48 0.00 -0.14 0.00 -0.00 0.00 0.00 39.34 39.67 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 1.04 0.00 9.48 8.00 -1.26 -5.16 116.55 128.65 2i0j n ASP 332 Ca 0.00 0.20 0.00 0.00 0.71 0.00 0.00 54.79 55.70 2i0j n ASP 332 Cb 0.00 -0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 2i0j n ASP 332 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2i0j n ALA 340 N -2.78 0.00 -0.16 2.24 0.00 -1.26 -5.21 120.51 113.34 2i0j n ALA 340 Ca -0.27 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.10 2i0j n ALA 340 Cb 1.07 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.51 2i0j n ALA 340 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2i0j n SER 341 N 0.00 0.05 0.05 0.00 2.88 -1.26 -4.79 113.62 110.56 2i0j n SER 341 Ca 0.00 0.12 -0.10 0.00 -1.33 0.00 0.00 58.87 57.56 2i0j n SER 341 Cb 0.00 -0.09 -0.07 0.00 -0.75 0.00 0.00 64.21 63.30 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 0.39 -0.21 -0.58 -1.46 4.05 -1.99 -1.25 114.93 113.88 2i0j h MET 342 Ca -0.05 0.01 0.01 0.00 -0.28 0.00 0.00 59.70 59.39 2i0j h MET 342 Cb 0.14 0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 30.96 2i0j h MET 342 CO 0.08 0.20 0.39 0.52 0.23 0.00 0.00 176.91 178.33 2i0j h MET 343 N -0.91 0.77 -0.27 0.39 2.86 -1.98 0.73 114.93 116.51 2i0j h MET 343 Ca -0.02 -0.05 0.04 0.00 -2.06 0.00 0.00 59.70 57.61 2i0j h MET 343 Cb 0.50 -0.17 -0.06 0.00 0.06 0.00 0.00 31.60 31.92 2i0j h MET 343 CO 0.04 0.51 -0.47 0.78 1.06 0.00 0.00 176.91 178.82 2i0j h GLY 344 N 0.79 -1.16 0.57 8.32 0.00 -1.91 1.15 103.07 110.83 2i0j h GLY 344 Ca 0.21 0.72 0.05 0.00 0.00 0.00 0.00 47.33 48.31 2i0j h GLY 344 CO -0.05 -0.22 -0.01 1.41 0.00 0.00 0.00 176.54 177.67 2i0j h LEU 345 N -0.39 -0.12 -0.43 3.11 3.38 -0.82 -0.60 115.31 119.43 2i0j h LEU 345 Ca 0.05 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 2i0j h LEU 345 Cb 0.53 0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 2i0j h LEU 345 CO -0.46 -0.03 0.19 -0.07 0.09 0.00 0.00 178.44 178.15 2i0j h LEU 346 N 0.07 0.59 -0.13 1.67 3.38 -0.18 -1.84 115.31 118.87 2i0j h LEU 346 Ca 0.13 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2i0j h LEU 346 Cb 0.17 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2i0j h LEU 346 CO -0.22 0.58 0.05 0.74 0.09 0.00 0.00 178.44 179.68 2i0j h THR 347 N 0.56 1.16 -0.77 0.22 2.02 0.15 -1.05 112.91 115.20 2i0j h THR 347 Ca 0.15 -0.47 0.06 0.00 0.77 0.00 0.00 66.41 66.91 2i0j h THR 347 Cb 0.17 1.23 -0.05 0.00 -1.74 0.00 0.00 68.15 67.76 2i0j h THR 347 CO -0.01 0.14 0.50 -1.13 0.37 0.00 0.00 175.52 175.39 2i0j h ASN 348 N 0.05 0.74 0.07 4.18 -0.73 -1.06 -0.39 115.58 118.45 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 0.18 -0.16 0.00 0.00 0.27 0.00 0.00 38.32 38.61 2i0j h ASN 348 CO -0.00 0.49 -0.03 0.25 -0.37 0.00 0.00 177.43 177.76 2i0j h LEU 349 N 0.85 -0.08 -1.52 0.34 5.85 -0.97 -2.63 115.31 117.15 2i0j h LEU 349 Ca 0.32 -0.20 0.04 0.00 0.84 0.00 0.00 57.88 58.88 2i0j h LEU 349 Cb 0.19 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 2i0j h LEU 349 CO -0.11 0.15 0.37 0.00 -0.34 0.00 0.00 178.44 178.51 2i0j h ALA 350 N 0.60 1.73 -0.08 1.25 0.00 -0.47 -1.71 119.26 120.58 2i0j h ALA 350 Ca -0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2i0j h ALA 350 Cb 0.27 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 2i0j h ALA 350 CO 0.02 0.20 0.01 -0.44 0.00 0.00 0.00 179.25 179.03 2i0j h ASP 351 N 0.63 0.13 0.19 0.00 3.32 -0.91 -1.44 116.42 118.35 2i0j h ASP 351 Ca 0.23 -0.28 -0.06 0.00 0.02 0.00 0.00 57.03 56.94 2i0j h ASP 351 Cb 0.12 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 2i0j h ASP 351 CO -0.06 0.38 -0.23 0.03 -1.72 0.00 0.00 179.24 177.64 2i0j h ARG 352 N -0.12 0.08 -0.11 3.56 3.08 -1.15 -2.62 114.38 117.10 2i0j h ARG 352 Ca 0.02 -0.02 -0.15 0.00 0.07 0.00 0.00 59.98 59.90 2i0j h ARG 352 Cb 0.31 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 2i0j h ARG 352 CO 0.00 0.31 -0.60 0.93 -1.07 0.00 0.00 179.97 179.54 2i0j h GLU 353 N 0.07 0.36 -1.00 0.04 5.08 -1.12 -3.19 114.58 114.83 2i0j h GLU 353 Ca 0.01 -0.24 0.17 0.00 -1.00 0.00 0.00 59.36 58.30 2i0j h GLU 353 Cb 0.45 0.03 -0.10 0.00 0.50 0.00 0.00 28.75 29.64 2i0j h GLU 353 CO 0.03 0.85 0.62 1.25 -1.00 0.00 0.00 179.01 180.76 2i0j h LEU 354 N 0.27 0.82 0.59 1.33 5.85 -0.86 0.12 115.31 123.43 2i0j h LEU 354 Ca -0.00 0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 2i0j h LEU 354 Cb 1.12 -0.07 0.01 0.00 0.37 0.00 0.00 40.66 42.08 2i0j h LEU 354 CO 0.10 0.34 -0.28 0.58 -0.34 0.00 0.00 178.44 178.84 2i0j h VAL 355 N 0.83 0.39 0.00 1.05 2.07 -1.60 -2.45 116.25 116.54 2i0j h VAL 355 Ca 0.55 -0.14 -0.00 0.00 0.82 0.00 0.00 66.70 67.93 2i0j h VAL 355 Cb 0.78 0.45 -0.00 0.00 -1.52 0.00 0.00 31.29 30.99 2i0j h VAL 355 CO -0.34 0.02 -0.00 0.45 0.02 0.00 0.00 177.57 177.72 2i0j h HIS 356 N -0.89 0.00 -0.21 1.57 3.86 -1.44 -1.83 115.15 116.21 2i0j h HIS 356 Ca -0.08 0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 58.94 2i0j h HIS 356 Cb 0.64 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.11 2i0j h HIS 356 CO -0.02 0.00 -0.62 1.98 0.86 0.00 0.00 177.93 180.13 2i0j h MET 357 N 0.00 0.71 0.18 2.45 -1.53 -0.34 -2.82 114.93 113.58 2i0j h MET 357 Ca -0.00 -0.49 -0.01 0.00 -3.44 0.00 0.00 59.70 55.76 2i0j h MET 357 Cb 0.04 0.07 0.00 0.00 -0.55 0.00 0.00 31.60 31.16 2i0j h MET 357 CO 0.00 1.11 -0.08 0.82 0.14 0.00 0.00 176.91 178.90 2i0j h ILE 358 N 0.53 0.91 -0.86 1.77 2.04 -1.00 0.14 117.51 121.04 2i0j h ILE 358 Ca -0.01 -0.41 0.15 0.00 1.00 0.00 0.00 64.86 65.59 2i0j h ILE 358 Cb 1.21 1.16 -0.06 0.00 -0.74 0.00 0.00 36.82 38.39 2i0j h ILE 358 CO 0.13 0.10 0.56 0.78 0.00 0.00 0.00 178.15 179.71 2i0j h ASN 359 N -0.44 0.56 0.77 1.72 2.35 -1.61 -0.03 115.58 118.90 2i0j h ASN 359 Ca -0.02 0.04 -0.04 0.00 -0.55 0.00 0.00 56.30 55.72 2i0j h ASN 359 Cb 0.34 -0.07 0.01 0.00 0.05 0.00 0.00 38.32 38.64 2i0j h ASN 359 CO 0.04 0.27 -0.37 -0.25 -1.65 0.00 0.00 177.43 175.47 2i0j h TRP 360 N 0.58 -0.96 -0.82 1.19 7.01 -1.20 -3.04 115.95 118.71 2i0j h TRP 360 Ca 0.43 -0.02 0.20 0.00 2.11 0.00 0.00 58.89 61.61 2i0j h TRP 360 Cb 0.81 0.32 -0.14 0.00 -2.10 0.00 0.00 29.16 28.04 2i0j h TRP 360 CO -0.00 -0.59 0.04 0.00 -2.79 0.00 0.00 178.44 175.09 2i0j h ALA 361 N -1.25 0.92 -0.21 2.65 0.00 0.41 0.70 119.26 122.48 2i0j h ALA 361 Ca -0.11 0.26 0.06 0.00 0.00 0.00 0.00 54.91 55.12 2i0j h ALA 361 Cb 0.80 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 2i0j h ALA 361 CO 0.17 -0.45 0.28 0.87 0.00 0.00 0.00 179.25 180.12 2i0j h LYS 362 N 0.10 0.00 -0.15 0.00 1.57 -0.97 0.74 116.57 117.86 2i0j h LYS 362 Ca 0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.25 2i0j h LYS 362 Cb 0.86 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.17 2i0j h LYS 362 CO -0.71 0.00 0.00 0.54 -0.57 0.00 0.00 179.45 178.71 2i0j n ARG 363 N -3.60 2.24 -2.58 3.15 1.74 0.24 -4.42 116.66 113.42 2i0j n ARG 363 Ca 0.02 -1.83 -0.43 0.00 -0.77 0.00 0.00 57.85 54.84 2i0j n ARG 363 Cb 0.40 -1.47 -0.02 0.00 -1.02 0.00 0.00 32.46 30.34 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 -1.82 4.41 -0.43 1.55 1.01 0.25 -4.82 120.40 120.56 2i0j s VAL 364 Ca 0.33 1.63 -0.43 0.00 0.00 0.00 0.00 61.98 63.51 2i0j s VAL 364 Cb 0.21 -4.35 -0.18 0.00 0.00 0.00 0.00 36.38 32.06 2i0j s VAL 364 CO 0.31 -0.48 1.87 -2.65 0.00 0.00 0.00 175.10 174.15 2i0j n PRO 365 N 6.97 0.42 0.00 2.72 -0.02 -1.26 -1.21 135.00 142.63 2i0j n PRO 365 Ca 0.13 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 2i0j n PRO 365 Cb 0.47 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 32.18 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 5.38 1.34 0.23 -1.23 0.00 -1.26 -4.89 105.19 104.76 2i0j n GLY 366 Ca 0.38 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.28 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 -0.46 -0.01 1.61 3.57 -1.46 -3.09 116.94 117.11 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 0.15 -0.00 0.00 2.79 0.00 0.00 35.95 38.89 2i0j h PHE 367 CO 0.00 -0.12 0.07 -0.39 -2.23 0.00 0.00 178.31 175.64 2i0j h VAL 368 N -0.91 0.06 0.00 1.41 -1.51 -1.77 -0.81 116.25 112.72 2i0j h VAL 368 Ca -0.05 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.42 2i0j h VAL 368 Cb 0.54 0.93 0.00 0.00 -2.13 0.00 0.00 31.29 30.62 2i0j h VAL 368 CO 0.08 0.00 0.00 0.47 -1.23 0.00 0.00 177.57 176.89 2i0j n ASP 369 N -3.13 0.00 -4.97 4.19 8.00 -1.17 -4.73 116.55 114.74 2i0j n ASP 369 Ca -0.03 -0.15 -0.21 0.00 0.71 0.00 0.00 54.79 55.11 2i0j n ASP 369 Cb 0.14 -0.19 0.03 0.00 -0.02 0.00 0.00 41.12 41.08 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 -2.38 3.38 0.66 0.64 1.43 -0.31 -5.07 118.68 117.02 2i0j s LEU 370 Ca 0.19 0.05 -0.13 0.00 -1.03 0.00 0.00 54.13 53.21 2i0j s LEU 370 Cb 0.11 -2.93 -0.01 0.00 0.03 0.00 0.00 46.19 43.40 2i0j s LEU 370 CO 0.24 -1.02 1.07 0.42 0.23 0.00 0.00 176.35 177.28 2i0j s THR 371 N -2.70 3.78 0.17 5.49 -4.23 -1.26 -4.83 115.64 112.06 2i0j s THR 371 Ca 0.55 0.71 -0.15 0.00 -1.18 0.00 0.00 61.69 61.63 2i0j s THR 371 Cb -0.10 -3.31 0.05 0.00 1.34 0.00 0.00 72.50 70.48 2i0j s THR 371 CO 0.38 -0.63 1.81 0.25 -0.54 0.00 0.00 174.62 175.90 2i0j h LEU 372 N -0.20 0.58 -1.08 4.79 6.46 -1.97 0.49 115.31 124.38 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 1.22 -0.15 -0.06 0.00 -0.73 0.00 0.00 40.66 40.94 2i0j h LEU 372 CO 0.56 0.45 0.62 -0.74 -0.62 0.00 0.00 178.44 178.71 2i0j h HIS 373 N 0.67 1.14 -0.02 1.25 2.76 -2.00 -1.18 115.15 117.76 2i0j h HIS 373 Ca 0.18 0.03 -0.15 0.00 -2.20 0.00 0.00 60.37 58.23 2i0j h HIS 373 Cb -0.04 -0.38 -0.02 0.00 1.55 0.00 0.00 27.41 28.53 2i0j h HIS 373 CO -0.03 0.61 -0.66 -0.44 -1.30 0.00 0.00 177.93 176.11 2i0j h ASP 374 N 1.13 0.12 -0.37 3.26 5.19 -1.72 -2.23 116.42 121.79 2i0j h ASP 374 Ca 0.40 -0.07 -0.11 0.00 -0.62 0.00 0.00 57.03 56.63 2i0j h ASP 374 Cb 0.13 -0.03 -0.01 0.00 0.18 0.00 0.00 39.33 39.60 2i0j h ASP 374 CO -0.15 0.74 -0.21 1.56 -3.12 0.00 0.00 179.24 178.07 2i0j h GLN 375 N 0.07 0.80 -0.30 3.56 4.20 -0.06 -2.46 115.11 120.91 2i0j h GLN 375 Ca -0.01 -0.36 -0.09 0.00 0.06 0.00 0.00 58.65 58.25 2i0j h GLN 375 Cb 1.17 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.92 2i0j h GLN 375 CO 0.09 0.99 -0.19 0.28 -0.67 0.00 0.00 178.83 179.33 2i0j h VAL 376 N 0.59 1.25 -0.03 -0.54 2.07 -1.15 -2.53 116.25 115.92 2i0j h VAL 376 Ca 0.08 -1.19 -0.15 0.00 0.82 0.00 0.00 66.70 66.26 2i0j h VAL 376 Cb 0.76 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 2i0j h VAL 376 CO 0.06 0.39 -0.68 -0.74 0.02 0.00 0.00 177.57 176.61 2i0j h HIS 377 N 0.50 0.19 -0.12 1.57 -0.00 -1.36 -0.52 115.15 115.41 2i0j h HIS 377 Ca 0.08 -0.08 -0.12 0.00 -0.00 0.00 0.00 60.37 60.24 2i0j h HIS 377 Cb 0.61 -0.03 0.00 0.00 -0.00 0.00 0.00 27.41 27.99 2i0j h HIS 377 CO 0.02 0.78 -0.41 -0.07 -0.00 0.00 0.00 177.93 178.25 2i0j h LEU 378 N 0.10 0.57 -0.14 0.26 3.38 -1.34 -1.96 115.31 116.18 2i0j h LEU 378 Ca -0.01 -0.61 -0.04 0.00 0.09 0.00 0.00 57.88 57.31 2i0j h LEU 378 Cb 1.22 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.79 2i0j h LEU 378 CO 0.10 1.08 -0.07 -0.07 0.09 0.00 0.00 178.44 179.57 2i0j h LEU 379 N 0.09 0.31 -1.18 1.67 3.38 -1.48 -1.25 115.31 116.85 2i0j h LEU 379 Ca -0.02 -0.41 0.13 0.00 0.09 0.00 0.00 57.88 57.67 2i0j h LEU 379 Cb 1.04 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 41.63 2i0j h LEU 379 CO 0.09 0.65 0.59 -0.08 0.09 0.00 0.00 178.44 179.79 2i0j h GLU 380 N -0.03 0.80 0.00 1.13 4.81 -1.13 0.23 114.58 120.39 2i0j h GLU 380 Ca 0.03 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 2i0j h GLU 380 Cb 0.54 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.73 2i0j h GLU 380 CO 0.02 0.53 -0.13 1.03 -0.73 0.00 0.00 179.01 179.73 2i0j h SER 381 N 0.83 0.00 0.00 1.04 0.87 -1.12 -3.36 113.55 111.80 2i0j h SER 381 Ca 0.46 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.02 2i0j h SER 381 Cb 0.59 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.55 2i0j h SER 381 CO -0.22 0.13 -0.08 0.00 -0.53 0.00 0.00 176.83 176.13 2i0j n ALA 382 N -2.14 1.81 -0.13 6.23 0.00 -0.32 -4.73 120.51 121.23 2i0j n ALA 382 Ca 0.02 -1.24 -0.09 0.00 0.00 0.00 0.00 53.44 52.13 2i0j n ALA 382 Cb 0.50 -0.16 -0.01 0.00 0.00 0.00 0.00 19.45 19.78 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 0.57 -0.23 0.00 5.08 -0.77 -1.30 115.95 119.30 2i0j h TRP 383 Ca 0.00 -0.03 -0.14 0.00 1.08 0.00 0.00 58.89 59.79 2i0j h TRP 383 Cb 0.88 -0.17 -0.01 0.00 -3.00 0.00 0.00 29.16 26.85 2i0j h TRP 383 CO 0.02 0.49 -0.45 1.25 -1.28 0.00 0.00 178.44 178.47 2i0j h LEU 384 N 0.48 0.62 -0.64 0.11 5.85 -1.88 -0.57 115.31 119.28 2i0j h LEU 384 Ca 0.13 -0.29 -0.01 0.00 0.84 0.00 0.00 57.88 58.55 2i0j h LEU 384 Cb 0.14 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 2i0j h LEU 384 CO -0.01 0.98 0.37 -0.33 -0.34 0.00 0.00 178.44 179.11 2i0j h GLU 385 N 0.47 0.88 -0.20 1.25 5.08 -1.82 0.29 114.58 120.53 2i0j h GLU 385 Ca 0.03 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 2i0j h GLU 385 Cb 0.97 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 2i0j h GLU 385 CO 0.09 0.65 0.07 0.82 -1.00 0.00 0.00 179.01 179.63 2i0j h ILE 386 N 0.87 1.19 -0.98 3.13 2.04 -0.98 -0.40 117.51 122.38 2i0j h ILE 386 Ca 0.23 -0.58 0.02 0.00 1.00 0.00 0.00 64.86 65.53 2i0j h ILE 386 Cb 0.01 1.19 -0.05 0.00 -0.74 0.00 0.00 36.82 37.22 2i0j h ILE 386 CO -0.04 0.18 0.65 -0.07 0.00 0.00 0.00 178.15 178.87 2i0j h LEU 387 N 0.16 1.11 -0.06 1.44 3.38 -0.85 -1.98 115.31 118.51 2i0j h LEU 387 Ca 0.07 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 2i0j h LEU 387 Cb 0.22 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 2i0j h LEU 387 CO -0.00 0.79 -0.03 0.24 0.09 0.00 0.00 178.44 179.53 2i0j h MET 388 N 1.30 0.12 -0.01 1.13 2.86 -0.59 -1.42 114.93 118.31 2i0j h MET 388 Ca 0.37 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.96 2i0j h MET 388 Cb -0.11 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.54 2i0j h MET 388 CO -0.09 0.50 0.01 0.97 1.06 0.00 0.00 176.91 179.36 2i0j h ILE 389 N -0.26 0.86 -0.18 -1.22 2.10 -0.98 0.31 117.51 118.15 2i0j h ILE 389 Ca 0.01 0.00 -0.04 0.00 1.08 0.00 0.00 64.86 65.91 2i0j h ILE 389 Cb 0.46 0.99 -0.01 0.00 -1.09 0.00 0.00 36.82 37.18 2i0j h ILE 389 CO 0.01 0.00 -0.06 1.23 -1.08 0.00 0.00 178.15 178.25 2i0j h GLY 390 N 0.00 0.38 0.38 8.18 0.00 -1.11 -1.84 103.07 109.06 2i0j h GLY 390 Ca 0.01 -0.33 -0.02 0.00 0.00 0.00 0.00 47.33 46.99 2i0j h GLY 390 CO -0.00 0.30 -0.18 -2.00 0.00 0.00 0.00 176.54 174.66 2i0j h LEU 391 N 0.05 -0.44 -1.73 3.11 5.85 0.16 -2.20 115.31 120.11 2i0j h LEU 391 Ca 0.04 0.02 0.52 0.00 0.84 0.00 0.00 57.88 59.30 2i0j h LEU 391 Cb 0.52 0.11 -0.09 0.00 0.37 0.00 0.00 40.66 41.57 2i0j h LEU 391 CO 0.02 -0.31 1.22 0.52 -0.34 0.00 0.00 178.44 179.55 2i0j n VAL 392 N -3.41 -0.07 -0.04 1.05 0.31 0.89 -0.29 118.33 116.77 2i0j n VAL 392 Ca -0.06 1.50 -0.14 0.00 -0.01 0.00 0.00 64.34 65.63 2i0j n VAL 392 Cb 0.20 -2.49 -0.11 0.00 -0.91 0.00 0.00 33.84 30.53 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 0.07 0.00 3.52 2.91 -0.84 -3.26 115.95 118.34 2i0j h TRP 393 Ca 0.88 -0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.87 2i0j h TRP 393 Cb 3.36 -0.01 0.00 0.00 -0.51 0.00 0.00 29.16 32.00 2i0j h TRP 393 CO -0.00 0.78 0.00 2.89 -1.03 0.00 0.00 178.44 181.08 2i0j n ARG 394 N -4.68 0.29 -0.66 2.65 1.85 0.60 -2.57 116.66 114.14 2i0j n ARG 394 Ca -0.09 0.06 0.08 0.00 -1.00 0.00 0.00 57.85 56.89 2i0j n ARG 394 Cb 0.39 -1.50 0.34 0.00 -1.05 0.00 0.00 32.46 30.64 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 -1.32 4.71 0.05 2.89 7.64 -0.64 -4.39 113.62 122.57 2i0j n SER 395 Ca 0.11 -2.58 -0.10 0.00 1.01 0.00 0.00 58.87 57.31 2i0j n SER 395 Cb 0.21 -0.60 0.02 0.00 -1.01 0.00 0.00 64.21 62.84 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 3.65 0.40 -1.00 1.43 2.86 -1.58 -3.21 114.93 117.48 2i0j h MET 396 Ca 0.00 -0.34 -0.48 0.00 -2.06 0.00 0.00 59.70 56.82 2i0j h MET 396 Cb 1.54 0.07 -0.28 0.00 0.06 0.00 0.00 31.60 32.99 2i0j h MET 396 CO 0.31 0.98 0.61 0.39 1.06 0.00 0.00 176.91 180.26 2i0j n GLU 397 N -3.83 2.16 -2.93 1.72 1.02 -1.26 -4.36 120.64 113.16 2i0j n GLU 397 Ca -0.04 -2.77 -0.13 0.00 -0.02 0.00 0.00 57.16 54.20 2i0j n GLU 397 Cb 0.72 -2.08 0.01 0.00 -0.02 0.00 0.00 31.44 30.06 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 -1.00 0.00 -1.52 -0.32 8.25 -1.21 -5.11 115.22 114.31 2i0j n HIS 398 Ca 0.55 -3.18 -0.54 0.00 -0.26 0.00 0.00 57.72 54.29 2i0j n HIS 398 Cb 1.54 -0.06 -0.06 0.00 1.12 0.00 0.00 29.99 32.53 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 0.49 -0.27 -0.41 -0.04 -1.26 -0.40 135.00 133.22 2i0j n PRO 399 Ca 0.16 0.17 0.00 0.00 -0.04 0.00 0.00 63.50 63.79 2i0j n PRO 399 Cb 0.73 -1.64 0.00 0.00 -0.04 0.00 0.00 33.50 32.55 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 1.89 1.43 3.21 0.55 0.00 -1.26 -5.02 105.19 105.99 2i0j n GLY 400 Ca 0.18 0.00 -0.12 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 0.95 -0.26 1.61 1.02 0.46 -3.81 119.74 119.34 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 -0.41 0.05 0.00 -0.52 0.00 0.00 37.83 36.94 2i0j s LYS 401 CO 0.00 0.03 -0.07 -0.51 -0.92 0.00 0.00 175.35 173.87 2i0j s LEU 402 N -3.11 3.43 -1.40 3.17 1.43 0.55 -4.80 118.68 117.95 2i0j s LEU 402 Ca 0.14 -1.18 -0.14 0.00 -1.03 0.00 0.00 54.13 51.92 2i0j s LEU 402 Cb 0.04 -1.62 0.06 0.00 0.03 0.00 0.00 46.19 44.70 2i0j s LEU 402 CO -0.02 -0.18 2.07 -0.11 0.23 0.00 0.00 176.35 178.34 2i0j n LEU 403 N 4.56 6.43 -0.16 1.79 7.94 -1.26 -1.71 117.00 134.59 2i0j n LEU 403 Ca -0.15 -4.17 -0.02 0.00 -1.11 0.00 0.00 56.01 50.57 2i0j n LEU 403 Cb 0.44 -1.65 0.07 0.00 0.53 0.00 0.00 43.42 42.80 2i0j n LEU 403 CO 0.24 0.95 0.88 -0.26 -1.11 0.00 0.00 177.39 178.09 2i0j h PHE 404 N 6.30 0.07 -4.50 1.96 0.04 -1.80 -3.44 116.94 115.57 2i0j h PHE 404 Ca 0.52 0.03 -0.22 0.00 2.80 0.00 0.00 57.97 61.10 2i0j h PHE 404 Cb 0.69 0.05 -0.15 0.00 2.20 0.00 0.00 35.95 38.74 2i0j h PHE 404 CO 1.42 -0.06 -0.59 0.00 -0.60 0.00 0.00 178.31 178.48 2i0j s ALA 405 N -6.15 1.03 0.26 2.45 0.00 -0.80 -4.98 121.76 113.57 2i0j s ALA 405 Ca -0.13 -1.61 0.26 0.00 0.00 0.00 0.00 51.96 50.48 2i0j s ALA 405 Cb 0.16 1.29 1.19 0.00 0.00 0.00 0.00 23.12 25.76 2i0j s ALA 405 CO 0.73 -0.59 1.94 -1.35 0.00 0.00 0.00 175.76 176.49 2i0j h PRO 406 N 2.63 0.00 -0.27 0.00 0.11 -1.86 -2.63 132.00 129.98 2i0j h PRO 406 Ca -0.35 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.65 2i0j h PRO 406 Cb 1.24 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.29 2i0j h PRO 406 CO 0.53 0.17 -0.08 0.27 -0.21 0.00 0.00 178.00 178.67 2i0j n ASN 407 N -3.46 2.74 -2.86 -2.05 6.94 -1.26 -4.71 115.26 110.58 2i0j n ASN 407 Ca -0.01 -3.55 -0.10 0.00 -0.02 0.00 0.00 54.58 50.91 2i0j n ASN 407 Cb 0.34 -0.59 0.00 0.00 -2.36 0.00 0.00 39.78 37.17 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 -1.01 -2.65 -4.40 -4.53 7.94 -0.99 -4.82 117.00 106.54 2i0j n LEU 408 Ca 0.28 -3.36 -0.40 0.00 -1.11 0.00 0.00 56.01 51.42 2i0j n LEU 408 Cb 0.94 0.75 -0.11 0.00 0.53 0.00 0.00 43.42 45.54 2i0j n LEU 408 CO 0.15 1.96 -0.16 -0.22 -1.11 0.00 0.00 177.39 178.01 2i0j s LEU 409 N 0.09 4.61 0.22 -1.96 2.96 -1.25 -1.90 118.68 121.46 2i0j s LEU 409 Ca 0.31 -0.86 0.07 0.00 -0.22 0.00 0.00 54.13 53.43 2i0j s LEU 409 Cb 0.09 -2.03 -0.04 0.00 0.50 0.00 0.00 46.19 44.71 2i0j s LEU 409 CO -0.14 -0.34 0.10 -0.76 -1.32 0.00 0.00 176.35 173.88 2i0j s LEU 410 N 1.58 3.56 0.28 -0.68 1.43 -0.70 -4.91 118.68 119.24 2i0j s LEU 410 Ca 0.03 -0.36 0.12 0.00 -1.03 0.00 0.00 54.13 52.89 2i0j s LEU 410 Cb -0.19 -2.12 -0.05 0.00 0.03 0.00 0.00 46.19 43.86 2i0j s LEU 410 CO 0.07 0.02 -0.17 1.51 0.23 0.00 0.00 176.35 178.01 2i0j s ASP 411 N -3.49 3.74 0.27 2.29 1.47 -1.26 -0.33 116.67 119.36 2i0j s ASP 411 Ca 0.31 -0.97 0.06 0.00 1.18 0.00 0.00 52.55 53.13 2i0j s ASP 411 Cb -0.08 -0.39 0.77 0.00 -0.34 0.00 0.00 42.92 42.88 2i0j s ASP 411 CO 0.22 0.03 1.29 -1.14 0.68 0.00 0.00 175.17 176.25 2i0j n ARG 412 N -0.67 -0.06 0.34 2.11 0.63 -1.25 -0.63 116.66 117.13 2i0j n ARG 412 Ca -0.05 1.20 -0.17 0.00 -0.92 0.00 0.00 57.85 57.91 2i0j n ARG 412 Cb 0.60 -1.98 -0.09 0.00 0.45 0.00 0.00 32.46 31.44 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 -0.84 0.00 6.15 2.35 -1.95 -2.01 115.58 119.28 2i0j h ASN 413 Ca 0.56 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 56.35 2i0j h ASN 413 Cb 1.26 0.24 0.00 0.00 0.05 0.00 0.00 38.32 39.87 2i0j h ASN 413 CO -0.73 -0.55 0.27 1.56 -1.65 0.00 0.00 177.43 176.33 2i0j h GLN 414 N -0.88 0.00 0.00 0.81 4.20 -1.27 0.39 115.11 118.36 2i0j h GLN 414 Ca -0.08 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.57 2i0j h GLN 414 Cb 0.70 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.48 2i0j h GLN 414 CO 0.10 0.00 -0.28 0.78 -0.67 0.00 0.00 178.83 178.76 2i0j h GLY 415 N 0.00 0.00 2.00 3.46 0.00 -1.16 -3.02 103.07 104.35 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 -3.18 0.01 0.07 4.80 5.02 0.14 -3.06 118.16 121.95 2i0j n LYS 416 Ca 0.03 0.20 0.16 0.00 -2.02 0.00 0.00 58.31 56.68 2i0j n LYS 416 Cb 0.64 -1.52 0.66 0.00 -0.02 0.00 0.00 35.03 34.79 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 0.03 -4.34 4.39 0.87 -1.63 -3.41 113.55 109.46 2i0j h SER 417 Ca 0.00 0.00 -0.58 0.00 -1.23 0.00 0.00 61.79 59.98 2i0j h SER 417 Cb 0.32 -0.01 -0.28 0.00 -0.44 0.00 0.00 62.40 62.00 2i0j h SER 417 CO 0.00 0.02 -0.84 -0.69 -0.53 0.00 0.00 176.83 174.79 2i0j s VAL 418 N -5.06 1.60 -0.01 2.23 1.01 -1.17 -5.06 120.40 113.94 2i0j s VAL 418 Ca -0.05 -1.02 -0.30 0.00 0.00 0.00 0.00 61.98 60.60 2i0j s VAL 418 Cb 0.19 -1.36 -0.05 0.00 0.00 0.00 0.00 36.38 35.15 2i0j s VAL 418 CO 0.72 0.31 1.40 -0.70 0.00 0.00 0.00 175.10 176.83 2i0j s GLU 419 N -0.84 4.28 0.00 2.72 2.12 -1.26 -2.76 118.70 122.96 2i0j s GLU 419 Ca 0.07 1.96 0.00 0.00 0.36 0.00 0.00 54.97 57.36 2i0j s GLU 419 Cb -0.08 -3.59 0.00 0.00 0.26 0.00 0.00 34.13 30.72 2i0j s GLU 419 CO 0.01 -0.58 0.00 0.41 -0.54 0.00 0.00 175.26 174.55 2i0j n GLY 420 N 3.65 1.03 0.11 -1.50 0.00 -1.26 -4.94 105.19 102.28 2i0j n GLY 420 Ca 0.13 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 3.39 0.00 -0.39 1.61 4.05 -1.73 -3.35 114.93 118.52 2i0j h MET 421 Ca 0.00 0.00 -0.08 0.00 -0.28 0.00 0.00 59.70 59.34 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 0.59 -0.10 0.28 0.23 0.00 0.00 176.91 177.92 2i0j h VAL 422 N 0.00 1.25 -0.02 -5.77 2.07 -1.75 0.13 116.25 112.16 2i0j h VAL 422 Ca -0.04 -1.09 -0.00 0.00 0.82 0.00 0.00 66.70 66.39 2i0j h VAL 422 Cb 1.52 1.05 -0.00 0.00 -1.52 0.00 0.00 31.29 32.34 2i0j h VAL 422 CO 0.08 0.37 0.01 -0.33 0.02 0.00 0.00 177.57 177.71 2i0j h GLU 423 N 0.63 0.02 0.48 1.57 3.07 -1.94 0.11 114.58 118.52 2i0j h GLU 423 Ca 0.11 -0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.96 2i0j h GLU 423 Cb 0.53 -0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.41 2i0j h GLU 423 CO 0.03 0.19 -0.52 0.82 -1.40 0.00 0.00 179.01 178.13 2i0j h ILE 424 N -0.14 0.00 -0.87 3.13 1.08 -1.64 -1.26 117.51 117.80 2i0j h ILE 424 Ca 0.01 0.00 0.20 0.00 -0.39 0.00 0.00 64.86 64.68 2i0j h ILE 424 Cb 0.17 0.00 -0.16 0.00 -3.07 0.00 0.00 36.82 33.76 2i0j h ILE 424 CO -0.00 0.00 -0.07 -0.26 -0.69 0.00 0.00 178.15 177.13 2i0j h PHE 425 N -1.00 -0.21 -0.15 1.37 0.04 -0.62 0.38 116.94 116.74 2i0j h PHE 425 Ca -0.06 0.07 -0.07 0.00 2.80 0.00 0.00 57.97 60.71 2i0j h PHE 425 Cb 0.88 0.23 -0.01 0.00 2.20 0.00 0.00 35.95 39.25 2i0j h PHE 425 CO -0.27 -0.35 -0.21 -0.44 -0.60 0.00 0.00 178.31 176.43 2i0j h ASP 426 N 0.04 0.25 -0.13 2.17 3.32 -0.21 -0.30 116.42 121.55 2i0j h ASP 426 Ca 0.47 -0.07 -0.07 0.00 0.02 0.00 0.00 57.03 57.38 2i0j h ASP 426 Cb 0.84 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 40.32 2i0j h ASP 426 CO -0.83 0.48 -0.20 0.24 -1.72 0.00 0.00 179.24 177.20 2i0j h MET 427 N 0.24 0.36 -0.08 3.56 2.86 0.80 -0.44 114.93 122.24 2i0j h MET 427 Ca 0.04 -0.22 0.02 0.00 -2.06 0.00 0.00 59.70 57.48 2i0j h MET 427 Cb 0.52 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.18 2i0j h MET 427 CO 0.03 0.80 -0.04 -0.07 1.06 0.00 0.00 176.91 178.70 2i0j h LEU 428 N -0.04 -0.13 -0.16 1.22 3.38 -0.69 0.09 115.31 118.98 2i0j h LEU 428 Ca 0.01 0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.06 2i0j h LEU 428 Cb 0.77 0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.55 2i0j h LEU 428 CO 0.05 -0.06 -0.11 -0.07 0.09 0.00 0.00 178.44 178.34 2i0j h LEU 429 N -0.04 -0.35 -0.85 1.67 3.38 -1.03 0.18 115.31 118.27 2i0j h LEU 429 Ca 0.05 0.08 0.16 0.00 0.09 0.00 0.00 57.88 58.25 2i0j h LEU 429 Cb 0.11 0.18 -0.10 0.00 0.09 0.00 0.00 40.66 40.94 2i0j h LEU 429 CO -0.10 -0.14 0.42 0.00 0.09 0.00 0.00 178.44 178.71 2i0j h ALA 430 N 1.02 1.29 -0.11 1.53 0.00 -0.57 -0.58 119.26 121.85 2i0j h ALA 430 Ca 0.10 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 2i0j h ALA 430 Cb 0.25 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 2i0j h ALA 430 CO -0.23 -0.14 -0.08 1.15 0.00 0.00 0.00 179.25 179.95 2i0j h THR 431 N 0.58 1.34 -0.97 0.00 2.02 0.00 -2.50 112.91 113.39 2i0j h THR 431 Ca 0.48 -1.18 0.20 0.00 0.77 0.00 0.00 66.41 66.67 2i0j h THR 431 Cb 0.72 1.90 -0.09 0.00 -1.74 0.00 0.00 68.15 68.94 2i0j h THR 431 CO -0.39 0.34 0.61 -1.28 0.37 0.00 0.00 175.52 175.17 2i0j h SER 432 N -0.14 0.62 -0.19 4.18 0.87 0.51 -0.05 113.55 119.35 2i0j h SER 432 Ca 0.02 0.07 -0.05 0.00 -1.23 0.00 0.00 61.79 60.61 2i0j h SER 432 Cb 0.57 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.49 2i0j h SER 432 CO 0.02 0.23 -0.06 0.28 -0.53 0.00 0.00 176.83 176.76 2i0j h SER 433 N 0.61 0.38 -0.91 6.23 0.02 -1.04 -2.20 113.55 116.63 2i0j h SER 433 Ca 0.54 -0.39 0.08 0.00 -0.84 0.00 0.00 61.79 61.18 2i0j h SER 433 Cb 1.04 -0.10 -0.06 0.00 0.14 0.00 0.00 62.40 63.41 2i0j h SER 433 CO -0.29 0.68 0.59 -0.09 -1.14 0.00 0.00 176.83 176.58 2i0j h ARG 434 N 0.07 0.94 -0.33 3.45 9.65 -0.58 0.66 114.38 128.24 2i0j h ARG 434 Ca 0.04 -0.06 -0.07 0.00 -1.10 0.00 0.00 59.98 58.80 2i0j h ARG 434 Cb 0.53 -0.21 -0.01 0.00 -1.39 0.00 0.00 29.97 28.88 2i0j h ARG 434 CO 0.02 0.63 -0.05 0.74 2.80 0.00 0.00 179.97 184.10 2i0j h PHE 435 N 0.97 0.70 -0.61 2.20 -1.00 -1.18 -0.40 116.94 117.62 2i0j h PHE 435 Ca 0.41 -0.14 -0.05 0.00 2.81 0.00 0.00 57.97 61.00 2i0j h PHE 435 Cb 0.30 -0.17 -0.03 0.00 3.61 0.00 0.00 35.95 39.66 2i0j h PHE 435 CO -0.00 0.78 0.19 -0.09 -1.61 0.00 0.00 178.31 177.58 2i0j h ARG 436 N 0.42 0.95 -0.09 1.51 2.43 -0.63 0.73 114.38 119.69 2i0j h ARG 436 Ca 0.09 -0.20 -0.06 0.00 -0.81 0.00 0.00 59.98 59.00 2i0j h ARG 436 Cb 0.54 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 2i0j h ARG 436 CO 0.03 0.84 -0.21 1.98 -1.51 0.00 0.00 179.97 181.10 2i0j h MET 437 N 0.87 0.16 -0.00 0.20 4.05 0.47 -2.15 114.93 118.53 2i0j h MET 437 Ca 0.20 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.58 2i0j h MET 437 Cb 0.29 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.07 2i0j h MET 437 CO -0.01 0.36 -0.39 -1.33 0.23 0.00 0.00 176.91 175.77 2i0j n MET 438 N -4.23 0.02 -3.45 0.39 2.81 -0.17 -4.94 117.12 107.54 2i0j n MET 438 Ca -0.01 -0.01 -0.19 0.00 -1.81 0.00 0.00 57.70 55.68 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 -1.48 -3.69 -4.70 7.83 2.85 0.16 -4.87 115.26 111.36 2i0j n ASN 439 Ca 0.06 -0.57 -0.43 0.00 -0.11 0.00 0.00 54.58 53.53 2i0j n ASN 439 Cb 0.34 -4.93 -0.03 0.00 1.24 0.00 0.00 39.78 36.39 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 -4.35 3.68 -4.87 1.20 7.94 -0.69 -4.98 117.00 114.93 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 0.62 -1.52 -0.02 0.00 0.53 0.00 0.00 43.42 43.03 2i0j n LEU 440 CO 0.60 0.02 0.55 -1.10 -1.11 0.00 0.00 177.39 176.35 2i0j s GLN 441 N 1.11 3.74 0.40 1.96 -1.52 -1.26 -4.93 119.66 119.15 2i0j s GLN 441 Ca 0.77 0.59 0.16 0.00 -1.95 0.00 0.00 55.36 54.92 2i0j s GLN 441 Cb -0.57 -2.27 0.84 0.00 -0.22 0.00 0.00 33.01 30.79 2i0j s GLN 441 CO 0.34 -0.23 1.86 0.78 -0.25 0.00 0.00 175.29 177.80 2i0j h GLY 442 N 0.68 0.00 1.63 3.09 0.00 -1.99 0.03 103.07 106.51 2i0j h GLY 442 Ca -0.46 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 46.72 2i0j h GLY 442 CO 0.62 0.00 -0.55 0.83 0.00 0.00 0.00 176.54 177.45 2i0j h GLU 443 N 0.00 0.39 -0.10 4.80 3.07 -1.99 -2.00 114.58 118.76 2i0j h GLU 443 Ca -0.00 -0.25 -0.23 0.00 -0.50 0.00 0.00 59.36 58.39 2i0j h GLU 443 Cb 0.62 0.03 0.01 0.00 -0.84 0.00 0.00 28.75 28.57 2i0j h GLU 443 CO 0.04 0.84 -0.84 0.93 -1.40 0.00 0.00 179.01 178.58 2i0j h GLU 444 N 0.30 0.68 0.23 2.33 5.08 -1.80 -3.12 114.58 118.28 2i0j h GLU 444 Ca 0.00 -0.60 -0.01 0.00 -1.00 0.00 0.00 59.36 57.76 2i0j h GLU 444 Cb 1.06 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 2i0j h GLU 444 CO 0.09 1.21 -0.22 0.35 -1.00 0.00 0.00 179.01 179.44 2i0j h PHE 445 N 0.44 -0.61 -1.15 4.33 3.57 -0.78 -1.97 116.94 120.77 2i0j h PHE 445 Ca -0.07 0.00 0.33 0.00 3.53 0.00 0.00 57.97 61.77 2i0j h PHE 445 Cb 1.46 0.24 -0.10 0.00 2.79 0.00 0.00 35.95 40.34 2i0j h PHE 445 CO 0.08 -0.30 0.74 -0.39 -2.23 0.00 0.00 178.31 176.22 2i0j h VAL 446 N -0.45 0.38 0.09 1.41 -1.51 -1.47 0.20 116.25 114.90 2i0j h VAL 446 Ca -0.03 -0.09 -0.00 0.00 -1.23 0.00 0.00 66.70 65.35 2i0j h VAL 446 Cb 0.39 0.09 0.00 0.00 -2.13 0.00 0.00 31.29 29.64 2i0j h VAL 446 CO -0.02 0.05 -0.04 0.00 -1.23 0.00 0.00 177.57 176.32 2i0j h LEU 448 N -0.28 0.63 -0.94 0.00 3.38 0.09 0.58 115.31 118.77 2i0j h LEU 448 Ca -0.01 -0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.03 2i0j h LEU 448 Cb 0.23 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 40.78 2i0j h LEU 448 CO 0.02 0.44 0.59 0.50 0.09 0.00 0.00 178.44 180.08 2i0j h LYS 449 N 0.76 1.02 0.00 1.13 3.64 -1.08 -1.34 116.57 120.70 2i0j h LYS 449 Ca 0.24 -0.06 -0.12 0.00 -1.27 0.00 0.00 60.65 59.44 2i0j h LYS 449 Cb 0.00 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 31.58 2i0j h LYS 449 CO -0.09 0.68 -0.56 0.77 -2.27 0.00 0.00 179.45 177.97 2i0j h SER 450 N 1.05 0.00 0.49 4.20 0.02 -0.69 -2.90 113.55 115.73 2i0j h SER 450 Ca 0.42 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 61.23 2i0j h SER 450 Cb 0.22 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 2i0j h SER 450 CO -0.19 0.56 -0.63 0.40 -1.14 0.00 0.00 176.83 175.83 2i0j h ILE 451 N 0.00 1.42 0.53 3.27 2.04 -0.03 -3.01 117.51 121.72 2i0j h ILE 451 Ca -0.01 -2.10 -0.03 0.00 1.00 0.00 0.00 64.86 63.73 2i0j h ILE 451 Cb 1.13 2.10 0.01 0.00 -0.74 0.00 0.00 36.82 39.32 2i0j h ILE 451 CO 0.07 0.61 -0.25 0.40 0.00 0.00 0.00 178.15 178.98 2i0j h ILE 452 N 0.09 0.43 -0.75 -0.67 2.04 -1.09 0.52 117.51 118.08 2i0j h ILE 452 Ca -0.01 -0.25 0.08 0.00 1.00 0.00 0.00 64.86 65.68 2i0j h ILE 452 Cb 1.13 0.53 -0.11 0.00 -0.74 0.00 0.00 36.82 37.64 2i0j h ILE 452 CO 0.09 0.04 -0.54 0.25 0.00 0.00 0.00 178.15 177.99 2i0j h LEU 453 N -0.88 -1.92 -0.82 1.44 5.85 -1.54 0.19 115.31 117.63 2i0j h LEU 453 Ca -0.07 0.29 -0.12 0.00 0.84 0.00 0.00 57.88 58.81 2i0j h LEU 453 Cb 0.61 0.84 -0.01 0.00 0.37 0.00 0.00 40.66 42.46 2i0j h LEU 453 CO 0.12 -0.31 -0.51 -0.07 -0.34 0.00 0.00 178.44 177.33 2i0j h LEU 454 N -0.16 0.21 0.00 2.25 3.38 -1.52 -3.32 115.31 116.14 2i0j h LEU 454 Ca 0.15 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 2i0j h LEU 454 Cb 0.51 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 2i0j h LEU 454 CO -0.80 0.69 -1.19 -3.20 0.09 0.00 0.00 178.44 174.03 2i0j n ASN 455 N -3.94 0.72 0.11 -0.43 2.85 0.17 -4.09 115.26 110.65 2i0j n ASN 455 Ca -0.02 0.28 -0.05 0.00 -0.11 0.00 0.00 54.58 54.68 2i0j n ASN 455 Cb 0.55 0.66 -0.03 0.00 1.24 0.00 0.00 39.78 42.20 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 -0.34 -0.37 1.20 0.02 -0.75 -3.24 113.55 110.06 2i0j h SER 456 Ca -0.02 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2i0j h SER 456 Cb 1.05 0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.69 2i0j h SER 456 CO 0.00 -0.20 0.00 0.61 -1.14 0.00 0.00 176.83 176.10 2i0j n GLY 457 N -1.17 0.91 0.30 -3.77 0.00 -1.26 -4.36 105.19 95.84 2i0j n GLY 457 Ca -0.04 -0.48 0.16 0.00 0.00 0.00 0.00 46.02 45.66 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 2.61 0.50 -0.69 1.61 3.04 -1.70 -2.09 116.25 119.53 2i0j h VAL 458 Ca 0.00 0.00 -0.32 0.00 -1.01 0.00 0.00 66.70 65.37 2i0j h VAL 458 Cb 0.59 0.98 -0.19 0.00 -2.01 0.00 0.00 31.29 30.65 2i0j h VAL 458 CO 0.00 0.00 0.30 -1.22 -1.01 0.00 0.00 177.57 175.64 2i0j n TYR 459 N -3.82 2.17 -2.17 3.17 4.02 -1.26 -4.10 117.16 115.17 2i0j n TYR 459 Ca -0.02 -1.60 0.02 0.00 -0.01 0.00 0.00 57.90 56.29 2i0j n TYR 459 Cb 0.12 -0.71 0.01 0.00 -0.02 0.00 0.00 39.34 38.74 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 -0.93 0.05 0.00 -0.72 -2.24 -0.79 -5.22 114.28 104.43 2i0j n THR 460 Ca 0.45 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 2i0j n THR 460 Cb 1.36 0.66 0.00 0.00 -2.10 0.00 0.00 70.33 70.26 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 0.15 0.00 -1.14 4.78 3.72 -1.23 -5.09 117.46 118.64 2i0j n PHE 461 Ca 0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 2i0j n PHE 461 Cb 0.87 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.41 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 -3.78 4.37 2.88 -1.26 -5.16 113.62 110.66 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 -0.05 2.46 -2.24 -1.26 -4.82 114.28 108.36 2i0j n THR 465 Ca 0.00 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.57 2i0j n THR 465 Cb 0.49 -0.40 -0.13 0.00 -2.10 0.00 0.00 70.33 68.19 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 2.68 -0.30 3.22 0.00 -1.26 -3.32 117.00 118.03 2i0j n LEU 466 Ca 0.00 0.11 -0.01 0.00 0.00 0.00 0.00 56.01 56.12 2i0j n LEU 466 Cb 0.00 -1.03 0.12 0.00 0.00 0.00 0.00 43.42 42.51 2i0j n LEU 466 CO 0.00 0.84 1.19 0.50 0.00 0.00 0.00 177.39 179.92 2i0j h LYS 467 N -0.05 0.95 -0.34 1.96 1.63 -1.99 -1.10 116.57 117.61 2i0j h LYS 467 Ca -0.48 -0.06 0.05 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 -0.01 0.63 0.05 1.03 -3.45 0.00 0.00 179.45 177.70 2i0j h SER 468 N 0.98 -0.02 -0.24 4.20 0.87 -1.91 -1.48 113.55 115.94 2i0j h SER 468 Ca 0.35 0.06 -0.05 0.00 -1.23 0.00 0.00 61.79 60.92 2i0j h SER 468 Cb 0.10 0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.13 2i0j h SER 468 CO -0.15 0.02 0.00 -0.07 -0.53 0.00 0.00 176.83 176.11 2i0j h LEU 469 N 0.17 0.51 -0.03 2.23 3.38 -1.24 -2.15 115.31 118.16 2i0j h LEU 469 Ca 0.16 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 2i0j h LEU 469 Cb 0.19 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 2i0j h LEU 469 CO -0.23 0.58 0.01 -0.33 0.09 0.00 0.00 178.44 178.56 2i0j h GLU 470 N 0.52 0.05 0.67 1.13 4.39 -0.60 -2.62 114.58 118.12 2i0j h GLU 470 Ca 0.11 -0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.77 2i0j h GLU 470 Cb 0.33 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.97 2i0j h GLU 470 CO 0.01 0.20 -0.45 0.93 -1.16 0.00 0.00 179.01 178.54 2i0j h GLU 471 N -0.11 -1.02 -0.97 2.33 4.39 -1.01 -2.07 114.58 116.12 2i0j h GLU 471 Ca 0.01 0.07 0.21 0.00 0.34 0.00 0.00 59.36 59.99 2i0j h GLU 471 Cb 0.17 0.23 -0.09 0.00 -0.10 0.00 0.00 28.75 28.96 2i0j h GLU 471 CO -0.00 -0.68 0.62 0.87 -1.16 0.00 0.00 179.01 178.66 2i0j h LYS 472 N -1.06 0.51 -0.43 2.33 1.57 -1.46 0.20 116.57 118.24 2i0j h LYS 472 Ca -0.09 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.59 2i0j h LYS 472 Cb 0.86 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.04 2i0j h LYS 472 CO 0.06 0.34 -0.00 0.22 -0.57 0.00 0.00 179.45 179.50 2i0j h ASP 473 N 0.53 0.74 -0.37 0.86 3.58 -1.18 -0.67 116.42 119.91 2i0j h ASP 473 Ca 0.54 -0.31 0.00 0.00 0.42 0.00 0.00 57.03 57.68 2i0j h ASP 473 Cb 1.16 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 41.99 2i0j h ASP 473 CO -0.27 0.87 0.25 -0.74 -2.88 0.00 0.00 179.24 176.46 2i0j h HIS 474 N 0.59 0.46 -0.57 0.28 2.76 -0.30 -1.43 115.15 116.96 2i0j h HIS 474 Ca 0.12 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.29 2i0j h HIS 474 Cb 0.49 -0.16 -0.03 0.00 1.55 0.00 0.00 27.41 29.27 2i0j h HIS 474 CO 0.04 0.29 0.31 0.82 -1.30 0.00 0.00 177.93 178.09 2i0j h ILE 475 N 0.50 1.19 0.00 6.26 2.04 -1.11 -0.62 117.51 125.77 2i0j h ILE 475 Ca 0.14 -0.48 -0.01 0.00 1.00 0.00 0.00 64.86 65.51 2i0j h ILE 475 Cb -0.05 0.47 -0.00 0.00 -0.74 0.00 0.00 36.82 36.49 2i0j h ILE 475 CO -0.03 0.20 -0.03 0.45 0.00 0.00 0.00 178.15 178.74 2i0j h HIS 476 N 0.77 0.00 0.21 1.37 3.86 -0.77 -0.31 115.15 120.28 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 0.05 0.00 0.03 0.00 1.06 0.00 0.00 27.41 28.54 2i0j h HIS 476 CO -0.01 0.03 -1.45 0.00 0.86 0.00 0.00 177.93 177.36 2i0j h ARG 477 N 0.00 0.45 -0.28 2.45 3.08 -0.35 -1.72 114.38 118.00 2i0j h ARG 477 Ca -0.00 -0.77 -0.08 0.00 0.07 0.00 0.00 59.98 59.20 2i0j h ARG 477 Cb 0.45 0.29 -0.01 0.00 0.08 0.00 0.00 29.97 30.78 2i0j h ARG 477 CO 0.00 1.36 -0.16 0.28 -1.07 0.00 0.00 179.97 180.39 2i0j h VAL 478 N 0.12 1.30 -0.29 2.04 2.07 -0.84 -0.27 116.25 120.38 2i0j h VAL 478 Ca -0.23 -1.26 0.04 0.00 0.82 0.00 0.00 66.70 66.06 2i0j h VAL 478 Cb 2.11 1.52 -0.04 0.00 -1.52 0.00 0.00 31.29 33.36 2i0j h VAL 478 CO 0.25 0.40 0.06 -0.07 0.02 0.00 0.00 177.57 178.23 2i0j h LEU 479 N 0.34 0.03 -1.55 2.57 3.38 -1.12 0.99 115.31 119.95 2i0j h LEU 479 Ca 0.06 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 2i0j h LEU 479 Cb 0.68 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 2i0j h LEU 479 CO 0.05 0.05 0.09 0.44 0.09 0.00 0.00 178.44 179.15 2i0j h ASP 480 N 0.17 0.34 -0.35 -0.43 3.32 -1.18 0.74 116.42 119.04 2i0j h ASP 480 Ca 0.13 -0.03 -0.13 0.00 0.02 0.00 0.00 57.03 57.02 2i0j h ASP 480 Cb 0.13 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 2i0j h ASP 480 CO -0.17 0.34 -0.28 0.50 -1.72 0.00 0.00 179.24 177.91 2i0j h LYS 481 N 0.38 0.87 -0.28 3.56 1.63 0.45 -2.20 116.57 120.99 2i0j h LYS 481 Ca 0.10 -0.39 -0.17 0.00 -0.85 0.00 0.00 60.65 59.34 2i0j h LYS 481 Cb 0.12 -0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 31.73 2i0j h LYS 481 CO -0.01 1.03 -0.47 0.82 -3.45 0.00 0.00 179.45 177.38 2i0j h ILE 482 N 0.74 1.29 -0.95 2.00 2.04 -0.03 -1.97 117.51 120.63 2i0j h ILE 482 Ca 0.09 -1.66 0.15 0.00 1.00 0.00 0.00 64.86 64.43 2i0j h ILE 482 Cb 0.83 1.66 -0.09 0.00 -0.74 0.00 0.00 36.82 38.48 2i0j h ILE 482 CO 0.07 0.54 0.56 0.74 0.00 0.00 0.00 178.15 180.06 2i0j h THR 483 N 0.57 0.79 0.22 -0.27 2.02 -0.72 0.38 112.91 115.90 2i0j h THR 483 Ca 0.02 -0.27 -0.01 0.00 0.77 0.00 0.00 66.41 66.92 2i0j h THR 483 Cb 1.08 -0.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.41 2i0j h THR 483 CO 0.11 0.15 -0.11 0.44 0.37 0.00 0.00 175.52 176.47 2i0j h ASP 484 N 0.80 -0.26 -0.82 4.18 3.32 -1.08 -2.53 116.42 120.03 2i0j h ASP 484 Ca 0.51 -0.09 0.17 0.00 0.02 0.00 0.00 57.03 57.64 2i0j h ASP 484 Cb 0.67 0.07 -0.11 0.00 0.22 0.00 0.00 39.33 40.18 2i0j h ASP 484 CO -0.33 -0.06 0.33 0.74 -1.72 0.00 0.00 179.24 178.20 2i0j h THR 485 N -0.44 0.58 0.61 0.35 2.02 -0.29 0.23 112.91 115.98 2i0j h THR 485 Ca -0.03 -0.15 -0.03 0.00 0.77 0.00 0.00 66.41 66.97 2i0j h THR 485 Cb 0.33 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 66.85 2i0j h THR 485 CO 0.05 0.08 -0.33 -0.07 0.37 0.00 0.00 175.52 175.62 2i0j h LEU 486 N 0.43 -0.79 -0.49 2.58 3.38 -0.83 0.82 115.31 120.40 2i0j h LEU 486 Ca 0.48 0.04 0.10 0.00 0.09 0.00 0.00 57.88 58.58 2i0j h LEU 486 Cb 0.80 0.22 -0.09 0.00 0.09 0.00 0.00 40.66 41.68 2i0j h LEU 486 CO -0.46 -0.54 -0.07 0.40 0.09 0.00 0.00 178.44 177.87 2i0j h ILE 487 N -0.87 0.55 -0.53 1.22 1.08 -0.86 0.42 117.51 118.52 2i0j h ILE 487 Ca -0.08 -0.02 0.10 0.00 -0.39 0.00 0.00 64.86 64.47 2i0j h ILE 487 Cb 0.68 0.50 -0.08 0.00 -3.07 0.00 0.00 36.82 34.85 2i0j h ILE 487 CO 0.11 0.01 0.07 -0.74 -0.69 0.00 0.00 178.15 176.92 2i0j h HIS 488 N 0.05 0.11 -0.63 1.37 2.76 -0.13 0.21 115.15 118.88 2i0j h HIS 488 Ca 0.24 0.03 0.10 0.00 -2.20 0.00 0.00 60.37 58.55 2i0j h HIS 488 Cb 0.37 0.03 -0.04 0.00 1.55 0.00 0.00 27.41 29.33 2i0j h HIS 488 CO -0.37 -0.05 0.42 -0.07 -1.30 0.00 0.00 177.93 176.56 2i0j h LEU 489 N 0.20 0.39 0.04 0.26 3.38 0.13 -1.02 115.31 118.69 2i0j h LEU 489 Ca 0.27 0.01 -0.25 0.00 0.09 0.00 0.00 57.88 58.00 2i0j h LEU 489 Cb 0.39 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 2i0j h LEU 489 CO -0.38 0.23 -1.23 0.24 0.09 0.00 0.00 178.44 177.39 2i0j h MET 490 N 0.43 0.09 -0.45 1.13 2.86 0.03 -2.90 114.93 116.12 2i0j h MET 490 Ca 0.29 -0.15 -0.12 0.00 -2.06 0.00 0.00 59.70 57.67 2i0j h MET 490 Cb 0.57 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.27 2i0j h MET 490 CO -0.08 0.98 -0.18 0.00 1.06 0.00 0.00 176.91 178.69 2i0j h ALA 491 N 0.84 0.83 -0.15 6.32 0.00 0.09 -2.69 119.26 124.50 2i0j h ALA 491 Ca -0.11 -0.36 -0.12 0.00 0.00 0.00 0.00 54.91 54.31 2i0j h ALA 491 Cb 1.88 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.49 2i0j h ALA 491 CO 0.14 0.65 -0.43 0.87 0.00 0.00 0.00 179.25 180.47 2i0j h LYS 492 N 0.77 0.37 0.00 0.00 1.57 -1.27 -2.95 116.57 115.06 2i0j h LYS 492 Ca 0.11 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 2i0j h LYS 492 Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.03 2i0j h LYS 492 CO 0.05 0.74 0.00 0.00 -0.57 0.00 0.00 179.45 179.67 2i0j n ALA 493 N -2.48 2.17 0.00 3.86 0.00 -1.08 -4.89 120.51 118.09 2i0j n ALA 493 Ca -0.02 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.31 2i0j n ALA 493 Cb 0.51 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.61 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 0.51 0.52 3.78 0.00 0.00 -1.11 -5.08 105.19 103.81 2i0j n GLY 494 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 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 1.10 0.99 1.43 -1.04 -5.03 118.68 119.95 2i0j s LEU 495 Ca 0.00 2.14 -0.18 0.00 -1.03 0.00 0.00 54.13 55.06 2i0j s LEU 495 Cb 0.00 -4.51 0.25 0.00 0.03 0.00 0.00 46.19 41.96 2i0j s LEU 495 CO 0.00 -1.05 1.21 0.42 0.23 0.00 0.00 176.35 177.16 2i0j s THR 496 N -1.78 1.78 0.05 5.49 -4.23 -1.26 -4.70 115.64 110.99 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 -2.73 -0.14 0.00 1.34 0.00 0.00 72.50 70.74 2i0j s THR 496 CO 0.26 0.00 1.51 -0.07 -0.54 0.00 0.00 174.62 175.78 2i0j h LEU 497 N -2.16 0.17 -1.23 4.79 3.38 -1.99 0.54 115.31 118.80 2i0j h LEU 497 Ca -0.44 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.24 2i0j h LEU 497 Cb 1.26 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.94 2i0j h LEU 497 CO 0.35 0.40 0.35 -0.61 0.09 0.00 0.00 178.44 179.01 2i0j h GLN 498 N -0.06 0.87 -0.17 1.13 4.15 -2.00 -1.40 115.11 117.63 2i0j h GLN 498 Ca 0.03 -0.09 -0.13 0.00 0.77 0.00 0.00 58.65 59.23 2i0j h GLN 498 Cb 0.30 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.81 2i0j h GLN 498 CO 0.00 0.64 -0.43 1.96 -1.93 0.00 0.00 178.83 179.07 2i0j h GLN 499 N 0.88 0.41 -0.29 1.69 4.20 -1.86 -2.33 115.11 117.82 2i0j h GLN 499 Ca 0.23 -0.21 -0.03 0.00 0.06 0.00 0.00 58.65 58.69 2i0j h GLN 499 Cb 0.02 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 2i0j h GLN 499 CO -0.04 0.77 0.08 1.96 -0.67 0.00 0.00 178.83 180.93 2i0j h GLN 500 N 0.34 0.45 0.00 1.46 4.20 0.15 -2.55 115.11 119.16 2i0j h GLN 500 Ca 0.03 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.63 2i0j h GLN 500 Cb 0.90 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.62 2i0j h GLN 500 CO 0.08 0.53 -0.01 1.12 -0.67 0.00 0.00 178.83 179.88 2i0j h HIS 501 N 0.30 0.00 -0.12 2.96 2.07 -1.32 -2.71 115.15 116.33 2i0j h HIS 501 Ca 0.09 0.00 -0.08 0.00 -2.85 0.00 0.00 60.37 57.53 2i0j h HIS 501 Cb 0.27 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.25 2i0j h HIS 501 CO 0.01 0.00 -0.23 1.96 -3.07 0.00 0.00 177.93 176.60 2i0j h GLN 502 N 0.00 0.38 0.00 5.12 4.20 -1.34 -1.63 115.11 121.84 2i0j h GLN 502 Ca 0.00 -0.24 -0.06 0.00 0.06 0.00 0.00 58.65 58.41 2i0j h GLN 502 Cb 0.94 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.74 2i0j h GLN 502 CO 0.00 0.84 -0.28 -0.09 -0.67 0.00 0.00 178.83 178.63 2i0j h ARG 503 N -0.03 0.00 0.12 1.46 2.43 -1.50 -0.37 114.38 116.48 2i0j h ARG 503 Ca 0.01 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 2i0j h ARG 503 Cb 0.82 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.37 2i0j h ARG 503 CO 0.05 0.28 -0.06 1.25 -1.51 0.00 0.00 179.97 179.98 2i0j h LEU 504 N 0.00 -0.14 -1.05 3.80 5.85 -1.35 -1.07 115.31 121.34 2i0j h LEU 504 Ca -0.00 -0.34 0.04 0.00 0.84 0.00 0.00 57.88 58.41 2i0j h LEU 504 Cb 0.61 0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.62 2i0j h LEU 504 CO 0.04 0.30 0.64 0.00 -0.34 0.00 0.00 178.44 179.07 2i0j h ALA 505 N 0.17 1.38 -0.57 1.25 0.00 -0.99 0.27 119.26 120.77 2i0j h ALA 505 Ca -0.02 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 2i0j h ALA 505 Cb 0.47 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2i0j h ALA 505 CO 0.03 0.53 0.14 1.96 0.00 0.00 0.00 179.25 181.91 2i0j h GLN 506 N 1.22 0.90 -0.20 0.00 4.20 -1.02 -0.60 115.11 119.62 2i0j h GLN 506 Ca 0.39 -0.21 -0.08 0.00 0.06 0.00 0.00 58.65 58.80 2i0j h GLN 506 Cb 0.01 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 27.67 2i0j h GLN 506 CO -0.12 0.84 -0.18 -0.07 -0.67 0.00 0.00 178.83 178.63 2i0j h LEU 507 N 0.81 0.51 -1.41 1.46 3.38 -0.63 -2.97 115.31 116.46 2i0j h LEU 507 Ca 0.18 -0.47 -0.06 0.00 0.09 0.00 0.00 57.88 57.63 2i0j h LEU 507 Cb 0.34 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 2i0j h LEU 507 CO 0.00 0.87 -0.27 -0.07 0.09 0.00 0.00 178.44 179.06 2i0j h LEU 508 N 0.15 0.00 -0.64 1.67 3.38 -0.89 -1.85 115.31 117.13 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 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 2i0j h LEU 508 CO 0.05 0.27 0.00 -0.07 0.09 0.00 0.00 178.44 178.78 2i0j h LEU 509 N 0.00 0.00 -0.25 1.67 3.38 -1.05 -2.79 115.31 116.28 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 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 2i0j h LEU 509 CO 0.04 0.00 0.00 0.40 0.09 0.00 0.00 178.44 178.97 2i0j h ILE 510 N 0.00 0.00 -0.00 1.22 2.04 -1.17 -2.75 117.51 116.84 2i0j h ILE 510 Ca 0.00 -0.81 -0.13 0.00 1.00 0.00 0.00 64.86 64.92 2i0j h ILE 510 Cb 0.72 1.80 -0.02 0.00 -0.74 0.00 0.00 36.82 38.58 2i0j h ILE 510 CO 0.00 0.00 -0.61 -0.07 0.00 0.00 0.00 178.15 177.47 2i0j h LEU 511 N 0.00 0.01 -0.82 1.44 3.38 -1.48 -1.62 115.31 116.22 2i0j h LEU 511 Ca 0.00 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2i0j h LEU 511 Cb 0.86 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.57 2i0j h LEU 511 CO 0.00 0.62 0.48 -1.28 0.09 0.00 0.00 178.44 178.35 2i0j h SER 512 N 0.01 1.01 -0.31 -0.43 0.87 -1.57 0.81 113.55 113.94 2i0j h SER 512 Ca -0.01 -0.08 -0.13 0.00 -1.23 0.00 0.00 61.79 60.35 2i0j h SER 512 Cb 1.08 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.78 2i0j h SER 512 CO 0.08 0.79 -0.28 0.45 -0.53 0.00 0.00 176.83 177.35 2i0j h HIS 513 N 1.14 0.94 0.00 2.24 3.86 -1.51 -2.02 115.15 119.80 2i0j h HIS 513 Ca 0.29 -0.24 -0.01 0.00 -1.16 0.00 0.00 60.37 59.25 2i0j h HIS 513 Cb -0.01 -0.22 -0.00 0.00 1.06 0.00 0.00 27.41 28.24 2i0j h HIS 513 CO -0.00 1.00 -0.06 0.82 0.86 0.00 0.00 177.93 180.55 2i0j h ILE 514 N 0.70 0.19 0.02 2.45 2.04 -0.54 -0.44 117.51 121.93 2i0j h ILE 514 Ca 0.08 -0.53 -0.00 0.00 1.00 0.00 0.00 64.86 65.41 2i0j h ILE 514 Cb 0.81 1.44 0.00 0.00 -0.74 0.00 0.00 36.82 38.34 2i0j h ILE 514 CO 0.07 0.06 -0.01 -0.09 0.00 0.00 0.00 178.15 178.18 2i0j h ARG 515 N 0.00 -0.02 -0.79 2.37 9.65 -0.29 -2.48 114.38 122.81 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 0.44 0.01 -0.08 0.00 -1.39 0.00 0.00 29.97 28.94 2i0j h ARG 515 CO 0.01 0.65 0.41 1.25 2.80 0.00 0.00 179.97 185.09 2i0j h HIS 516 N -0.73 0.74 -0.42 2.20 2.76 -0.88 -0.75 115.15 118.06 2i0j h HIS 516 Ca -0.00 0.03 -0.09 0.00 -2.20 0.00 0.00 60.37 58.11 2i0j h HIS 516 Cb 0.68 -0.21 -0.02 0.00 1.55 0.00 0.00 27.41 29.41 2i0j h HIS 516 CO 0.16 0.25 -0.10 0.52 -1.30 0.00 0.00 177.93 177.46 2i0j h MET 517 N 0.66 0.74 -0.41 5.26 2.86 -1.11 -1.77 114.93 121.17 2i0j h MET 517 Ca 0.40 -0.23 -0.07 0.00 -2.06 0.00 0.00 59.70 57.74 2i0j h MET 517 Cb 0.46 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.04 2i0j h MET 517 CO -0.30 0.81 -0.05 1.03 1.06 0.00 0.00 176.91 179.47 2i0j h SER 518 N 0.67 0.66 0.10 1.22 0.87 -0.75 0.16 113.55 116.47 2i0j h SER 518 Ca 0.12 -0.16 -0.00 0.00 -1.23 0.00 0.00 61.79 60.51 2i0j h SER 518 Cb 0.56 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.34 2i0j h SER 518 CO 0.03 0.76 -0.05 0.78 -0.53 0.00 0.00 176.83 177.83 2i0j h ASN 519 N 0.64 -0.11 -0.85 6.23 2.35 -0.73 -1.37 115.58 121.74 2i0j h ASN 519 Ca 0.12 -0.21 -0.01 0.00 -0.55 0.00 0.00 56.30 55.65 2i0j h ASN 519 Cb 0.47 0.03 -0.04 0.00 0.05 0.00 0.00 38.32 38.83 2i0j h ASN 519 CO 0.02 0.15 0.49 0.11 -1.65 0.00 0.00 177.43 176.55 2i0j h LYS 520 N -0.37 1.17 -0.12 0.81 1.79 -1.15 -1.64 116.57 117.07 2i0j h LYS 520 Ca -0.01 -0.12 -0.02 0.00 -2.18 0.00 0.00 60.65 58.31 2i0j h LYS 520 Cb 0.31 -0.24 -0.01 0.00 -1.58 0.00 0.00 32.23 30.71 2i0j h LYS 520 CO 0.02 0.84 -0.04 0.78 -1.08 0.00 0.00 179.45 179.98 2i0j h GLY 521 N 1.20 0.19 1.64 3.86 0.00 -0.51 -2.69 103.07 106.76 2i0j h GLY 521 Ca 0.30 -0.09 -0.25 0.00 0.00 0.00 0.00 47.33 47.29 2i0j h GLY 521 CO -0.05 0.09 -1.25 -0.33 0.00 0.00 0.00 176.54 175.00 2i0j h MET 522 N 0.18 0.11 -0.50 4.80 2.86 -0.30 -1.39 114.93 120.68 2i0j h MET 522 Ca 0.04 -0.19 -0.02 0.00 -2.06 0.00 0.00 59.70 57.48 2i0j h MET 522 Cb 0.19 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.89 2i0j h MET 522 CO 0.01 1.01 0.25 0.93 1.06 0.00 0.00 176.91 180.16 2i0j h GLU 523 N 0.03 0.72 -0.13 1.72 5.08 -1.33 0.71 114.58 121.38 2i0j h GLU 523 Ca -0.12 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.14 2i0j h GLU 523 Cb 1.90 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 31.01 2i0j h GLU 523 CO 0.15 0.59 0.07 1.25 -1.00 0.00 0.00 179.01 180.07 2i0j h HIS 524 N 0.67 0.18 -0.21 4.33 2.76 -1.52 -1.32 115.15 120.03 2i0j h HIS 524 Ca 0.17 -0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.35 2i0j h HIS 524 Cb 0.10 -0.06 -0.02 0.00 1.55 0.00 0.00 27.41 28.99 2i0j h HIS 524 CO -0.01 0.20 0.11 1.25 -1.30 0.00 0.00 177.93 178.19 2i0j h LEU 525 N 0.10 0.18 -1.35 0.26 7.12 -0.72 -2.60 115.31 118.30 2i0j h LEU 525 Ca 0.04 0.00 0.15 0.00 0.13 0.00 0.00 57.88 58.21 2i0j h LEU 525 Cb 0.09 -0.03 -0.07 0.00 -0.53 0.00 0.00 40.66 40.12 2i0j h LEU 525 CO -0.01 0.13 0.57 0.22 -0.13 0.00 0.00 178.44 179.22 2i0j h TYR 526 N 0.24 0.74 0.00 1.25 5.03 0.76 -2.42 116.97 122.57 2i0j h TYR 526 Ca 0.08 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.42 2i0j h TYR 526 Cb 0.01 -0.23 0.00 0.00 1.55 0.00 0.00 36.73 38.06 2i0j h TYR 526 CO -0.09 0.26 0.00 -1.13 -1.32 0.00 0.00 178.16 175.88 2i0j n SER 527 N -4.55 0.69 0.00 -2.11 3.41 -0.53 -5.08 113.62 105.46 2i0j n SER 527 Ca 0.17 -1.85 0.00 0.00 -0.26 0.00 0.00 58.87 56.93 2i0j n SER 527 Cb 0.51 -0.34 0.00 0.00 -0.26 0.00 0.00 64.21 64.12 2i0j n SER 527 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 175.04 176.03 2i0j n MET 528 N -0.10 0.00 -3.80 4.33 0.00 -0.91 -5.09 117.12 111.55 2i0j n MET 528 Ca 0.00 -0.00 -0.30 0.00 0.00 0.00 0.00 57.70 57.40 2i0j n MET 528 Cb 0.17 -0.09 -0.15 0.00 0.00 0.00 0.00 33.22 33.15 2i0j n MET 528 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 175.97 173.83 2i0j s PRO 535 N 0.00 1.04 0.00 3.17 0.01 -1.26 -5.04 135.00 132.92 2i0j s PRO 535 Ca 0.00 -1.49 0.00 0.00 0.01 0.00 0.00 61.00 59.52 2i0j s PRO 535 Cb 0.00 -2.37 0.00 0.00 0.01 0.00 0.00 34.50 32.14 2i0j s PRO 535 CO 0.00 -1.02 0.00 -0.11 0.01 0.00 0.00 177.00 175.88 2i0j n LEU 536 N 4.39 0.00 -0.29 -5.54 7.94 -1.26 0.45 117.00 122.69 2i0j n LEU 536 Ca 0.02 0.00 -0.00 0.00 -1.11 0.00 0.00 56.01 54.91 2i0j n LEU 536 Cb 0.40 0.00 0.19 0.00 0.53 0.00 0.00 43.42 44.54 2i0j n LEU 536 CO 0.17 0.00 1.27 0.22 -1.11 0.00 0.00 177.39 177.94 2i0j h TYR 537 N 0.00 1.08 0.00 1.96 5.03 -1.99 0.64 116.97 123.69 2i0j h TYR 537 Ca 0.00 0.03 -0.14 0.00 2.58 0.00 0.00 58.73 61.19 2i0j h TYR 537 Cb 0.00 -0.37 -0.02 0.00 1.55 0.00 0.00 36.73 37.89 2i0j h TYR 537 CO 0.00 0.68 -0.69 -0.44 -1.32 0.00 0.00 178.16 176.39 2i0j h ASP 538 N 1.16 0.00 -0.18 -2.11 3.32 -0.44 -2.46 116.42 115.71 2i0j h ASP 538 Ca 0.32 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.23 2i0j h ASP 538 Cb -0.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.43 2i0j h ASP 538 CO -0.07 0.69 -0.41 0.25 -1.72 0.00 0.00 179.24 177.98 2i0j h LEU 539 N 0.00 0.67 -0.36 1.55 5.85 -0.97 -2.13 115.31 119.93 2i0j h LEU 539 Ca -0.01 -0.56 -0.12 0.00 0.84 0.00 0.00 57.88 58.03 2i0j h LEU 539 Cb 1.30 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.13 2i0j h LEU 539 CO 0.09 1.11 -0.23 -0.07 -0.34 0.00 0.00 178.44 179.00 2i0j h LEU 540 N 0.25 0.82 -1.06 2.25 3.38 0.16 -3.09 115.31 118.03 2i0j h LEU 540 Ca -0.00 -0.43 -0.07 0.00 0.09 0.00 0.00 57.88 57.47 2i0j h LEU 540 Cb 1.02 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 2i0j h LEU 540 CO 0.09 1.07 -0.05 0.25 0.09 0.00 0.00 178.44 179.89 2i0j h LEU 541 N 0.57 0.58 -2.06 1.67 5.85 -1.50 0.50 115.31 120.93 2i0j h LEU 541 Ca 0.07 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 2i0j h LEU 541 Cb 0.79 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.66 2i0j h LEU 541 CO 0.06 0.69 -0.06 -0.08 -0.34 0.00 0.00 178.44 178.71 2i0j h GLU 542 N 0.57 0.00 0.00 1.25 4.57 -1.31 -1.73 114.58 117.92 2i0j h GLU 542 Ca 0.11 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.23 2i0j h GLU 542 Cb 0.44 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.02 2i0j h GLU 542 CO 0.02 0.06 -0.45 0.52 -1.18 0.00 0.00 179.01 177.98 2i0j h MET 543 N 0.00 0.00 -0.37 1.92 2.86 -1.27 -3.37 114.93 114.70 2i0j h MET 543 Ca -0.00 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.68 2i0j h MET 543 Cb 0.14 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.78 2i0j h MET 543 CO 0.01 0.58 0.25 -0.07 1.06 0.00 0.00 176.91 178.74 2i0j h LEU 544 N -1.00 0.28 -8.21 1.22 3.38 -0.86 -3.36 115.31 106.76 2i0j h LEU 544 Ca -0.10 -0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.33 2i0j h LEU 544 Cb 0.77 -0.06 -0.08 0.00 0.09 0.00 0.00 40.66 41.37 2i0j h LEU 544 CO -0.06 0.19 1.27 -0.62 0.09 0.00 0.00 178.44 179.32 2i0j s ASP 545 N -6.61 6.15 0.38 -0.43 -1.08 -0.66 -4.97 116.67 109.44 2i0j s ASP 545 Ca -0.07 -0.98 0.08 0.00 -0.52 0.00 0.00 52.55 51.06 2i0j s ASP 545 Cb 0.18 -2.56 -0.02 0.00 -1.46 0.00 0.00 42.92 39.05 2i0j s ASP 545 CO 0.72 -1.82 0.34 0.00 0.52 0.00 0.00 175.17 174.93 2i0j s ALA 546 N 6.13 3.96 0.00 3.66 0.00 -1.26 -4.92 121.76 129.33 2i0j s ALA 546 Ca 0.48 -1.77 0.00 0.00 0.00 0.00 0.00 51.96 50.67 2i0j s ALA 546 Cb -0.04 -1.10 0.00 0.00 0.00 0.00 0.00 23.12 21.98 2i0j s ALA 546 CO -0.00 -0.11 0.49 -2.39 0.00 0.00 0.00 175.76 173.75