#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hca n THR 343 N 0.00 3.30 -4.78 -0.72 5.66 -1.26 -4.92 114.28 111.56 2hca n THR 343 Ca 0.00 -2.80 -0.27 0.00 -3.05 0.00 0.00 64.05 57.93 2hca n THR 343 Cb 0.00 -0.90 -0.17 0.00 -1.55 0.00 0.00 70.33 67.72 2hca n THR 343 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 2hca s ARG 344 N -3.61 2.05 -0.19 1.09 3.00 -1.26 -4.89 118.95 115.14 2hca s ARG 344 Ca 0.59 -0.56 -0.03 0.00 -1.00 0.00 0.00 55.73 54.73 2hca s ARG 344 Cb 0.48 -1.65 -0.01 0.00 0.00 0.00 0.00 34.95 33.76 2hca s ARG 344 CO 0.03 0.10 -0.05 0.08 0.00 0.00 0.00 175.30 175.45 2hca s VAL 345 N 0.49 3.48 -0.53 7.11 1.01 -0.70 -5.00 120.40 126.26 2hca s VAL 345 Ca -0.14 -0.48 -0.20 0.00 0.00 0.00 0.00 61.98 61.16 2hca s VAL 345 Cb -0.16 -2.55 0.06 0.00 0.00 0.00 0.00 36.38 33.73 2hca s VAL 345 CO 0.05 0.45 0.69 -0.69 0.00 0.00 0.00 175.10 175.60 2hca s VAL 346 N 1.01 4.78 0.23 2.92 1.01 -1.26 0.41 120.40 129.51 2hca s VAL 346 Ca 0.00 -0.44 -0.18 0.00 0.00 0.00 0.00 61.98 61.37 2hca s VAL 346 Cb -0.15 -4.37 -0.08 0.00 0.00 0.00 0.00 36.38 31.79 2hca s VAL 346 CO 0.00 -0.91 0.70 0.86 0.00 0.00 0.00 175.10 175.75 2hca s TRP 347 N 2.87 3.58 -0.36 5.22 -0.11 0.20 0.15 118.94 130.48 2hca s TRP 347 Ca 0.17 1.29 -0.10 0.00 1.22 0.00 0.00 56.10 58.69 2hca s TRP 347 Cb -0.19 -2.56 0.03 0.00 -1.50 0.00 0.00 33.47 29.25 2hca s TRP 347 CO 0.12 0.30 0.17 0.00 -4.62 0.00 0.00 176.95 172.92 2hca s ALA 349 N 1.53 3.53 -0.35 0.00 0.00 -0.83 -4.80 121.76 120.84 2hca s ALA 349 Ca 0.02 -0.01 -0.12 0.00 0.00 0.00 0.00 51.96 51.84 2hca s ALA 349 Cb -0.19 -2.68 0.00 0.00 0.00 0.00 0.00 23.12 20.26 2hca s ALA 349 CO 0.06 0.23 0.22 0.08 0.00 0.00 0.00 175.76 176.35 2hca s VAL 350 N -0.40 4.95 0.00 0.00 1.01 -1.26 -1.75 120.40 122.95 2hca s VAL 350 Ca 0.29 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.79 2hca s VAL 350 Cb -0.18 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.57 2hca s VAL 350 CO 0.17 -0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.78 2hca n GLY 351 N 5.06 0.14 0.22 4.51 0.00 -0.34 -4.35 105.19 110.44 2hca n GLY 351 Ca -0.12 -1.75 0.10 0.00 0.00 0.00 0.00 46.02 44.24 2hca n GLY 351 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2hca h PRO 352 N 0.00 0.00 -0.10 1.61 0.13 -1.94 -2.80 132.00 128.91 2hca h PRO 352 Ca 0.00 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.92 2hca h PRO 352 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2hca h PRO 352 CO 0.00 0.23 -0.79 0.93 -0.23 0.00 0.00 178.00 178.14 2hca h GLU 353 N 0.00 0.58 0.00 0.86 5.08 -1.96 -3.06 114.58 116.08 2hca h GLU 353 Ca -0.00 -0.49 -0.14 0.00 -1.00 0.00 0.00 59.36 57.72 2hca h GLU 353 Cb 0.76 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.10 2hca h GLU 353 CO 0.03 1.12 -0.67 0.93 -1.00 0.00 0.00 179.01 179.41 2hca h GLU 354 N 0.38 0.00 -0.10 2.33 5.08 -1.75 -3.06 114.58 117.47 2hca h GLU 354 Ca -0.05 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 2hca h GLU 354 Cb 1.39 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.63 2hca h GLU 354 CO 0.15 0.67 -0.22 0.37 -1.00 0.00 0.00 179.01 178.98 2hca h GLN 355 N 0.00 0.17 0.10 2.33 4.15 -1.47 -1.96 115.11 118.42 2hca h GLN 355 Ca -0.01 -0.05 -0.26 0.00 0.77 0.00 0.00 58.65 59.11 2hca h GLN 355 Cb 1.22 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 28.90 2hca h GLN 355 CO 0.09 0.39 -1.17 1.57 -1.93 0.00 0.00 178.83 177.78 2hca h LYS 356 N 0.16 0.25 -0.52 1.69 5.09 -1.43 -1.55 116.57 120.25 2hca h LYS 356 Ca 0.03 -0.39 -0.10 0.00 0.09 0.00 0.00 60.65 60.28 2hca h LYS 356 Cb 0.49 0.14 -0.02 0.00 0.10 0.00 0.00 32.23 32.94 2hca h LYS 356 CO 0.03 1.17 -0.07 -0.22 -2.09 0.00 0.00 179.45 178.28 2hca h LYS 357 N 0.08 0.94 -0.40 0.07 3.64 -1.51 -2.53 116.57 116.87 2hca h LYS 357 Ca -0.11 -0.31 -0.09 0.00 -1.27 0.00 0.00 60.65 58.87 2hca h LYS 357 Cb 1.89 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 33.62 2hca h LYS 357 CO 0.19 0.97 -0.09 0.00 -2.27 0.00 0.00 179.45 178.25 2hca h GLN 359 N 0.58 0.86 -0.15 0.00 4.20 -1.28 1.07 115.11 120.39 2hca h GLN 359 Ca 0.10 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.75 2hca h GLN 359 Cb 0.61 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.20 2hca h GLN 359 CO 0.04 0.57 0.05 1.96 -0.67 0.00 0.00 178.83 180.77 2hca h GLN 360 N 0.88 0.23 -0.52 1.46 4.20 -1.29 0.69 115.11 120.75 2hca h GLN 360 Ca 0.30 -0.05 0.10 0.00 0.06 0.00 0.00 58.65 59.07 2hca h GLN 360 Cb 0.06 -0.03 -0.09 0.00 0.30 0.00 0.00 27.48 27.72 2hca h GLN 360 CO -0.13 0.36 -0.00 2.35 -0.67 0.00 0.00 178.83 180.74 2hca h TRP 361 N 0.05 -0.04 -0.38 2.96 7.01 -0.67 -1.02 115.95 123.87 2hca h TRP 361 Ca 0.05 0.04 -0.07 0.00 2.11 0.00 0.00 58.89 61.02 2hca h TRP 361 Cb 0.22 0.10 -0.02 0.00 -2.10 0.00 0.00 29.16 27.36 2hca h TRP 361 CO -0.00 -0.12 -0.04 1.03 -2.79 0.00 0.00 178.44 176.51 2hca h SER 362 N 0.11 0.59 0.19 2.65 0.87 0.17 -1.82 113.55 116.33 2hca h SER 362 Ca 0.26 -0.14 0.01 0.00 -1.23 0.00 0.00 61.79 60.69 2hca h SER 362 Cb 0.40 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.18 2hca h SER 362 CO -0.44 0.69 -0.23 -0.61 -0.53 0.00 0.00 176.83 175.71 2hca h GLN 363 N 0.58 -0.46 0.00 2.24 5.75 0.10 -3.01 115.11 120.32 2hca h GLN 363 Ca 0.12 0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.65 2hca h GLN 363 Cb 0.43 0.10 0.00 0.00 1.07 0.00 0.00 27.48 29.09 2hca h GLN 363 CO 0.02 -0.31 0.00 1.04 -2.65 0.00 0.00 178.83 176.93 2hca n GLN 364 N -5.36 0.28 0.00 1.69 1.13 -0.45 -3.23 117.38 111.45 2hca n GLN 364 Ca -0.08 0.05 0.11 0.00 -1.94 0.00 0.00 57.00 55.14 2hca n GLN 364 Cb 0.27 -1.50 0.04 0.00 0.11 0.00 0.00 30.24 29.16 2hca n GLN 364 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 2hca n SER 365 N -1.34 2.41 -3.52 1.08 3.41 -0.71 -4.98 113.62 109.97 2hca n SER 365 Ca 0.11 -1.71 -0.20 0.00 -0.26 0.00 0.00 58.87 56.81 2hca n SER 365 Cb 0.23 0.28 0.08 0.00 -0.26 0.00 0.00 64.21 64.54 2hca n SER 365 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2hca n GLY 366 N 1.37 -0.44 2.80 5.00 0.00 -1.20 -2.15 105.19 110.58 2hca n GLY 366 Ca 0.11 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.30 2hca n GLY 366 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2hca n GLN 367 N -4.52 -1.17 0.21 1.61 3.00 -1.19 -4.86 117.38 110.45 2hca n GLN 367 Ca -0.16 0.29 0.06 0.00 -0.01 0.00 0.00 57.00 57.19 2hca n GLN 367 Cb 0.62 -4.28 0.55 0.00 0.00 0.00 0.00 30.24 27.13 2hca n GLN 367 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.06 176.15 2hca h ASN 368 N 0.00 0.08 -3.66 1.08 2.35 -1.72 -3.41 115.58 110.29 2hca h ASN 368 Ca 0.00 -0.01 -0.57 0.00 -0.55 0.00 0.00 56.30 55.17 2hca h ASN 368 Cb 0.59 -0.02 -0.32 0.00 0.05 0.00 0.00 38.32 38.61 2hca h ASN 368 CO 0.00 0.13 -0.84 -0.69 -1.65 0.00 0.00 177.43 174.38 2hca s VAL 369 N -4.97 1.46 0.28 2.81 1.01 -1.26 -1.72 120.40 118.01 2hca s VAL 369 Ca -0.05 -0.70 0.12 0.00 0.00 0.00 0.00 61.98 61.35 2hca s VAL 369 Cb 0.17 -1.27 -0.05 0.00 0.00 0.00 0.00 36.38 35.22 2hca s VAL 369 CO 0.69 0.42 -0.20 -0.89 0.00 0.00 0.00 175.10 175.13 2hca s THR 370 N 0.27 2.51 -0.19 3.92 2.01 0.16 -4.38 115.64 119.95 2hca s THR 370 Ca -0.10 -2.39 0.01 0.00 0.31 0.00 0.00 61.69 59.52 2hca s THR 370 Cb -0.14 -2.31 0.03 0.00 0.01 0.00 0.00 72.50 70.08 2hca s THR 370 CO 0.04 -0.40 -0.18 0.00 -0.69 0.00 0.00 174.62 173.39 2hca s ALA 372 N 1.29 3.63 -0.01 0.00 0.00 0.05 -4.95 121.76 121.76 2hca s ALA 372 Ca 0.03 -0.89 0.02 0.00 0.00 0.00 0.00 51.96 51.12 2hca s ALA 372 Cb -0.14 -2.27 -0.00 0.00 0.00 0.00 0.00 23.12 20.71 2hca s ALA 372 CO -0.12 -0.35 -0.05 0.99 0.00 0.00 0.00 175.76 176.23 2hca s THR 373 N -2.59 0.41 0.12 0.00 2.01 -1.26 -1.96 115.64 112.38 2hca s THR 373 Ca 0.47 -0.21 0.01 0.00 0.31 0.00 0.00 61.69 62.27 2hca s THR 373 Cb -0.10 -0.36 -0.04 0.00 0.01 0.00 0.00 72.50 72.01 2hca s THR 373 CO 0.40 0.12 -0.01 0.00 -0.69 0.00 0.00 174.62 174.44 2hca s ALA 374 N -0.02 0.99 0.07 7.40 0.00 -0.72 -4.99 121.76 124.48 2hca s ALA 374 Ca 0.01 -1.44 0.10 0.00 0.00 0.00 0.00 51.96 50.63 2hca s ALA 374 Cb -0.03 0.49 -0.02 0.00 0.00 0.00 0.00 23.12 23.56 2hca s ALA 374 CO -0.00 -0.35 1.39 0.77 0.00 0.00 0.00 175.76 177.56 2hca h SER 375 N 2.88 0.00 -5.12 0.00 0.02 -1.96 -0.88 113.55 108.49 2hca h SER 375 Ca -0.35 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.50 2hca h SER 375 Cb 1.18 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.57 2hca h SER 375 CO 0.63 0.79 -0.36 0.42 -1.14 0.00 0.00 176.83 177.17 2hca s THR 376 N -2.93 0.13 0.26 -2.27 -4.23 -1.26 -4.41 115.64 100.92 2hca s THR 376 Ca 0.01 -1.05 -0.05 0.00 -1.18 0.00 0.00 61.69 59.43 2hca s THR 376 Cb 0.10 -1.19 0.26 0.00 1.34 0.00 0.00 72.50 73.01 2hca s THR 376 CO 0.79 -0.58 1.93 0.74 -0.54 0.00 0.00 174.62 176.95 2hca h THR 377 N 2.96 1.23 -0.82 3.99 2.02 -1.92 -1.95 112.91 118.43 2hca h THR 377 Ca -0.33 -0.45 0.05 0.00 0.77 0.00 0.00 66.41 66.44 2hca h THR 377 Cb 1.20 -0.21 -0.06 0.00 -1.74 0.00 0.00 68.15 67.35 2hca h THR 377 CO 0.53 0.24 0.51 0.44 0.37 0.00 0.00 175.52 177.61 2hca h ASP 378 N 1.32 0.81 -0.43 4.18 3.32 -1.96 -0.96 116.42 122.71 2hca h ASP 378 Ca 0.37 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.41 2hca h ASP 378 Cb -0.11 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.26 2hca h ASP 378 CO -0.09 0.53 0.19 0.44 -1.72 0.00 0.00 179.24 178.59 2hca h ASP 379 N 0.95 0.57 -0.84 6.45 3.32 -1.78 -2.30 116.42 122.79 2hca h ASP 379 Ca 0.35 -0.15 0.09 0.00 0.02 0.00 0.00 57.03 57.34 2hca h ASP 379 Cb 0.12 -0.15 -0.07 0.00 0.22 0.00 0.00 39.33 39.45 2hca h ASP 379 CO -0.15 0.56 0.49 0.00 -1.72 0.00 0.00 179.24 178.42 2hca h ILE 381 N 0.83 1.08 -0.26 0.00 2.04 -0.77 -1.34 117.51 119.09 2hca h ILE 381 Ca 0.40 -0.32 0.03 0.00 1.00 0.00 0.00 64.86 65.97 2hca h ILE 381 Cb 0.33 0.08 -0.03 0.00 -0.74 0.00 0.00 36.82 36.46 2hca h ILE 381 CO -0.23 0.17 0.07 0.58 0.00 0.00 0.00 178.15 178.74 2hca h VAL 382 N 0.92 0.91 -0.97 1.67 2.07 -0.79 -0.74 116.25 119.32 2hca h VAL 382 Ca 0.32 -0.06 0.04 0.00 0.82 0.00 0.00 66.70 67.81 2hca h VAL 382 Cb 0.06 0.71 -0.06 0.00 -1.52 0.00 0.00 31.29 30.48 2hca h VAL 382 CO -0.13 0.03 0.64 -0.07 0.02 0.00 0.00 177.57 178.06 2hca h LEU 383 N 0.19 1.06 -0.58 2.57 3.38 -0.37 0.21 115.31 121.77 2hca h LEU 383 Ca 0.12 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.93 2hca h LEU 383 Cb 0.10 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 2hca h LEU 383 CO -0.14 0.73 -0.41 0.58 0.09 0.00 0.00 178.44 179.29 2hca h VAL 384 N 1.23 1.29 -0.74 1.22 2.07 -1.09 -1.20 116.25 119.04 2hca h VAL 384 Ca 0.39 -1.59 0.04 0.00 0.82 0.00 0.00 66.70 66.36 2hca h VAL 384 Cb -0.00 1.52 -0.05 0.00 -1.52 0.00 0.00 31.29 31.24 2hca h VAL 384 CO -0.12 0.51 0.46 -0.07 0.02 0.00 0.00 177.57 178.36 2hca h LEU 385 N 0.55 0.74 -1.20 2.57 3.38 -0.17 -2.25 115.31 118.93 2hca h LEU 385 Ca 0.04 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 2hca h LEU 385 Cb 0.94 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 2hca h LEU 385 CO 0.09 0.50 -0.24 0.11 0.09 0.00 0.00 178.44 178.98 2hca h LYS 386 N 0.88 0.00 0.00 1.13 1.57 -0.71 -3.46 116.57 115.97 2hca h LYS 386 Ca 0.31 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 2hca h LYS 386 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 2hca h LYS 386 CO -0.13 0.24 0.00 0.41 -0.57 0.00 0.00 179.45 179.40 2hca n GLY 387 N 0.03 0.62 0.21 3.86 0.00 -0.59 -4.95 105.19 104.37 2hca n GLY 387 Ca -0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.15 2hca n GLY 387 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2hca h GLU 388 N 4.52 0.00 -5.04 1.61 5.08 -1.51 -3.44 114.58 115.81 2hca h GLU 388 Ca 0.00 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.02 2hca h GLU 388 Cb 0.00 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 29.06 2hca h GLU 388 CO 0.00 0.00 -0.74 0.00 -1.00 0.00 0.00 179.01 177.27 2hca s ALA 389 N -3.32 1.11 -0.20 3.43 0.00 -1.04 -4.90 121.76 116.83 2hca s ALA 389 Ca 0.06 -1.13 -0.18 0.00 0.00 0.00 0.00 51.96 50.71 2hca s ALA 389 Cb 0.08 -0.00 -0.14 0.00 0.00 0.00 0.00 23.12 23.05 2hca s ALA 389 CO 0.60 0.01 0.03 -0.25 0.00 0.00 0.00 175.76 176.16 2hca n ASP 390 N 0.76 1.87 -3.93 0.00 8.00 0.39 -4.05 116.55 119.58 2hca n ASP 390 Ca -0.17 0.45 -0.09 0.00 0.71 0.00 0.00 54.79 55.69 2hca n ASP 390 Cb 0.57 -0.92 -0.05 0.00 -0.02 0.00 0.00 41.12 40.70 2hca n ASP 390 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2hca s ALA 391 N -2.48 -0.46 -0.07 2.24 0.00 -1.15 -4.14 121.76 115.70 2hca s ALA 391 Ca -0.27 -0.70 -0.29 0.00 0.00 0.00 0.00 51.96 50.69 2hca s ALA 391 Cb 0.06 0.99 0.11 0.00 0.00 0.00 0.00 23.12 24.28 2hca s ALA 391 CO 0.50 -0.85 0.91 -0.48 0.00 0.00 0.00 175.76 175.84 2hca s LEU 392 N -2.98 -0.39 0.03 0.00 2.34 -1.15 -1.63 118.68 114.91 2hca s LEU 392 Ca 0.18 0.21 -0.23 0.00 0.06 0.00 0.00 54.13 54.36 2hca s LEU 392 Cb -0.01 2.00 -0.06 0.00 -0.56 0.00 0.00 46.19 47.57 2hca s LEU 392 CO 0.06 -0.51 0.68 0.21 -1.06 0.00 0.00 176.35 175.72 2hca s ASN 393 N -1.86 7.10 -0.02 1.48 2.47 -1.26 -0.31 114.94 122.55 2hca s ASN 393 Ca 0.01 1.31 0.01 0.00 0.42 0.00 0.00 52.86 54.61 2hca s ASN 393 Cb -0.01 -2.42 0.01 0.00 -1.45 0.00 0.00 41.25 37.39 2hca s ASN 393 CO -0.03 0.08 -0.02 -0.76 -3.72 0.00 0.00 177.10 172.64 2hca s LEU 394 N -0.22 1.57 0.68 3.21 1.43 0.32 -4.91 118.68 120.76 2hca s LEU 394 Ca 0.34 -0.06 -0.17 0.00 -1.03 0.00 0.00 54.13 53.21 2hca s LEU 394 Cb -0.19 -0.24 0.01 0.00 0.03 0.00 0.00 46.19 45.79 2hca s LEU 394 CO 0.20 -0.03 1.27 -0.62 0.23 0.00 0.00 176.35 177.40 2hca s ASP 395 N 0.50 4.43 0.50 2.29 2.15 -1.26 -1.48 116.67 123.80 2hca s ASP 395 Ca -0.05 2.54 0.27 0.00 0.43 0.00 0.00 52.55 55.74 2hca s ASP 395 Cb -0.08 -2.61 1.36 0.00 -0.30 0.00 0.00 42.92 41.29 2hca s ASP 395 CO -0.01 -2.11 1.88 1.23 -0.17 0.00 0.00 175.17 175.98 2hca h GLY 396 N 0.25 0.29 1.14 2.66 0.00 -1.82 -1.38 103.07 104.20 2hca h GLY 396 Ca -0.50 -0.06 -0.11 0.00 0.00 0.00 0.00 47.33 46.66 2hca h GLY 396 CO 0.52 -0.01 -0.11 -1.33 0.00 0.00 0.00 176.54 175.61 2hca h GLY 397 N 0.12 1.09 2.00 4.60 0.00 -1.88 -2.75 103.07 106.26 2hca h GLY 397 Ca 0.44 -0.88 -0.11 0.00 0.00 0.00 0.00 47.33 46.79 2hca h GLY 397 CO -0.07 0.80 -0.53 -0.97 0.00 0.00 0.00 176.54 175.77 2hca h TYR 398 N 0.90 0.00 -0.24 5.60 0.05 -1.37 -3.14 116.97 118.76 2hca h TYR 398 Ca 0.14 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.92 2hca h TYR 398 Cb 0.67 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.40 2hca h TYR 398 CO 0.04 0.53 0.15 0.82 -1.05 0.00 0.00 178.16 178.65 2hca h ILE 399 N 0.00 1.07 -0.30 -2.88 2.04 -1.16 0.32 117.51 116.59 2hca h ILE 399 Ca -0.01 -0.15 -0.10 0.00 1.00 0.00 0.00 64.86 65.61 2hca h ILE 399 Cb 1.32 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 38.12 2hca h ILE 399 CO 0.07 0.07 -0.20 0.22 0.00 0.00 0.00 178.15 178.31 2hca h TYR 400 N 0.33 0.78 0.71 1.37 3.20 -1.47 0.66 116.97 122.55 2hca h TYR 400 Ca 0.09 -0.21 -0.03 0.00 3.14 0.00 0.00 58.73 61.72 2hca h TYR 400 Cb -0.02 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.07 2hca h TYR 400 CO 0.00 0.92 -0.50 1.15 -1.64 0.00 0.00 178.16 178.09 2hca h THR 401 N 0.42 0.01 -0.96 1.81 2.02 -1.48 -2.80 112.91 111.93 2hca h THR 401 Ca 0.06 0.00 0.20 0.00 0.77 0.00 0.00 66.41 67.44 2hca h THR 401 Cb 0.74 0.01 -0.08 0.00 -1.74 0.00 0.00 68.15 67.08 2hca h THR 401 CO 0.05 0.00 0.61 0.00 0.37 0.00 0.00 175.52 176.56 2hca h ALA 402 N -1.06 1.98 -0.34 6.16 0.00 -0.94 -2.08 119.26 122.98 2hca h ALA 402 Ca -0.09 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 2hca h ALA 402 Cb 0.94 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 2hca h ALA 402 CO 0.06 -0.31 -0.11 0.78 0.00 0.00 0.00 179.25 179.67 2hca h GLY 403 N 0.57 0.72 1.99 0.00 0.00 -0.76 -1.94 103.07 103.65 2hca h GLY 403 Ca 0.53 -0.62 0.00 0.00 0.00 0.00 0.00 47.33 47.24 2hca h GLY 403 CO -0.27 0.56 0.00 0.50 0.00 0.00 0.00 176.54 177.34 2hca h LYS 404 N 0.45 0.00 -0.58 4.80 1.57 -1.11 -0.70 116.57 120.99 2hca h LYS 404 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 2hca h LYS 404 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.93 2hca h LYS 404 CO 0.04 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.92 2hca n GLY 406 N 1.60 3.06 3.72 0.00 0.00 -0.27 -5.05 105.19 108.26 2hca n GLY 406 Ca 0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.87 2hca n GLY 406 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2hca n LEU 407 N 0.00 5.73 -4.07 0.99 4.77 -0.79 -4.51 117.00 119.11 2hca n LEU 407 Ca 0.00 0.85 -0.23 0.00 -0.03 0.00 0.00 56.01 56.60 2hca n LEU 407 Cb 0.00 -1.54 -0.16 0.00 -2.33 0.00 0.00 43.42 39.39 2hca n LEU 407 CO 0.00 -1.04 -0.47 0.68 -1.33 0.00 0.00 177.39 175.24 2hca s VAL 408 N -1.38 1.08 0.25 4.08 -7.23 0.11 -4.20 120.40 113.09 2hca s VAL 408 Ca 0.81 -0.54 -0.30 0.00 -1.81 0.00 0.00 61.98 60.14 2hca s VAL 408 Cb -0.39 -0.93 -0.10 0.00 0.56 0.00 0.00 36.38 35.53 2hca s VAL 408 CO 0.42 0.32 1.40 -2.16 -0.31 0.00 0.00 175.10 174.77 2hca s PRO 409 N -0.01 4.30 -0.08 4.82 0.04 -1.26 -1.52 135.00 141.29 2hca s PRO 409 Ca -0.01 2.24 -0.09 0.00 0.04 0.00 0.00 61.00 63.18 2hca s PRO 409 Cb -0.08 -3.12 -0.04 0.00 0.04 0.00 0.00 34.50 31.29 2hca s PRO 409 CO 0.01 -0.36 -0.20 0.28 0.04 0.00 0.00 177.00 176.77 2hca n VAL 410 N 2.24 1.24 -4.15 -0.36 0.31 0.10 -4.93 118.33 112.78 2hca n VAL 410 Ca 0.06 0.13 -0.09 0.00 -0.01 0.00 0.00 64.34 64.43 2hca n VAL 410 Cb 0.41 -1.93 -0.10 0.00 -0.91 0.00 0.00 33.84 31.31 2hca n VAL 410 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2hca s LEU 411 N -7.32 2.29 0.08 7.52 1.43 -1.25 -4.33 118.68 117.09 2hca s LEU 411 Ca -0.18 -1.07 0.05 0.00 -1.03 0.00 0.00 54.13 51.90 2hca s LEU 411 Cb 0.04 0.11 -0.03 0.00 0.03 0.00 0.00 46.19 46.34 2hca s LEU 411 CO 0.25 -0.59 -0.13 0.00 0.23 0.00 0.00 176.35 176.11 2hca s ALA 412 N -3.83 1.16 0.36 4.21 0.00 -0.77 -1.51 121.76 121.38 2hca s ALA 412 Ca 0.14 -1.06 -0.27 0.00 0.00 0.00 0.00 51.96 50.78 2hca s ALA 412 Cb 0.07 -0.06 -0.09 0.00 0.00 0.00 0.00 23.12 23.04 2hca s ALA 412 CO -0.04 0.10 1.16 -1.21 0.00 0.00 0.00 175.76 175.77 2hca s GLU 413 N -2.06 4.25 -0.04 0.00 2.02 -0.55 0.73 118.70 123.06 2hca s GLU 413 Ca 0.00 1.85 0.01 0.00 0.02 0.00 0.00 54.97 56.85 2hca s GLU 413 Cb -0.08 -2.84 0.02 0.00 0.10 0.00 0.00 34.13 31.32 2hca s GLU 413 CO 0.02 -0.15 -0.05 -0.80 0.02 0.00 0.00 175.26 174.30 2hca s ASN 414 N -1.03 0.92 0.56 -0.19 0.02 -0.37 -4.81 114.94 110.05 2hca s ASN 414 Ca 0.53 -0.13 0.08 0.00 -1.02 0.00 0.00 52.86 52.32 2hca s ASN 414 Cb -0.31 -0.41 0.07 0.00 0.02 0.00 0.00 41.25 40.62 2hca s ASN 414 CO 0.40 -0.03 0.77 0.00 0.02 0.00 0.00 177.10 178.26 2hca s ARG 415 N 0.74 2.35 -0.14 -0.60 1.70 -1.26 0.12 118.95 121.86 2hca s ARG 415 Ca -0.10 -1.50 -0.39 0.00 -0.47 0.00 0.00 55.73 53.27 2hca s ARG 415 Cb -0.13 -2.64 -0.16 0.00 -0.57 0.00 0.00 34.95 31.45 2hca s ARG 415 CO 0.00 -0.80 1.57 1.63 -1.08 0.00 0.00 175.30 176.63 2hca n LYS 416 N -2.22 1.10 -4.24 3.89 5.02 -1.26 -4.76 118.16 115.69 2hca n LYS 416 Ca 0.14 0.40 -0.18 0.00 -2.02 0.00 0.00 58.31 56.65 2hca n LYS 416 Cb 0.61 -2.06 -0.11 0.00 -0.02 0.00 0.00 35.03 33.45 2hca n LYS 416 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2hca s SER 417 N 2.28 1.96 -0.04 4.39 0.15 -1.26 -5.06 113.70 116.12 2hca s SER 417 Ca 0.93 -0.81 0.08 0.00 0.70 0.00 0.00 55.95 56.85 2hca s SER 417 Cb -1.04 -0.06 -0.12 0.00 -1.71 0.00 0.00 66.02 63.08 2hca s SER 417 CO 0.59 -0.15 0.13 -1.54 1.20 0.00 0.00 173.24 173.46 2hca n SER 418 N 0.53 2.98 -4.87 5.45 3.41 -1.26 -4.90 113.62 114.96 2hca n SER 418 Ca -0.15 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.12 2hca n SER 418 Cb 0.57 1.12 -0.05 0.00 -0.26 0.00 0.00 64.21 65.58 2hca n SER 418 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2hca s LYS 419 N -2.44 3.75 -0.52 4.33 2.20 -1.26 -4.53 119.74 121.26 2hca s LYS 419 Ca -0.04 0.15 -0.02 0.00 -0.36 0.00 0.00 55.97 55.70 2hca s LYS 419 Cb 0.04 -2.91 -0.02 0.00 -1.51 0.00 0.00 37.83 33.43 2hca s LYS 419 CO 0.35 0.50 0.47 0.72 -0.36 0.00 0.00 175.35 177.04 2hca n HIS 420 N 0.57 -1.54 0.10 4.03 8.25 -1.26 -5.01 115.22 120.36 2hca n HIS 420 Ca -0.05 0.56 -0.23 0.00 -0.26 0.00 0.00 57.72 57.74 2hca n HIS 420 Cb 0.52 -3.24 -0.15 0.00 1.12 0.00 0.00 29.99 28.24 2hca n HIS 420 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2hca h SER 421 N -0.24 0.66 -0.15 0.41 4.64 -1.91 -3.36 113.55 113.60 2hca h SER 421 Ca -0.20 -0.85 -0.16 0.00 -0.47 0.00 0.00 61.79 60.11 2hca h SER 421 Cb 1.10 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.97 2hca h SER 421 CO 0.22 1.70 -0.49 0.28 -0.87 0.00 0.00 176.83 177.67 2hca h SER 422 N 0.12 0.79 -3.48 4.97 0.02 -1.97 -3.45 113.55 110.55 2hca h SER 422 Ca -0.29 -0.40 -0.53 0.00 -0.84 0.00 0.00 61.79 59.73 2hca h SER 422 Cb 2.11 -0.22 0.06 0.00 0.14 0.00 0.00 62.40 64.49 2hca h SER 422 CO 0.21 1.14 0.76 -0.76 -1.14 0.00 0.00 176.83 177.04 2hca s LEU 423 N -8.57 4.38 0.45 5.07 1.43 -1.26 -5.00 118.68 115.18 2hca s LEU 423 Ca -0.09 2.72 -0.23 0.00 -1.03 0.00 0.00 54.13 55.50 2hca s LEU 423 Cb 0.11 -3.63 -0.07 0.00 0.03 0.00 0.00 46.19 42.63 2hca s LEU 423 CO 0.86 -0.71 1.19 -0.62 0.23 0.00 0.00 176.35 177.30 2hca s ASP 424 N 0.23 6.18 0.26 2.29 2.15 -1.26 -4.76 116.67 121.76 2hca s ASP 424 Ca 0.58 2.36 -0.03 0.00 0.43 0.00 0.00 52.55 55.89 2hca s ASP 424 Cb -0.42 -2.61 0.54 0.00 -0.30 0.00 0.00 42.92 40.13 2hca s ASP 424 CO 0.46 -0.91 1.67 0.00 -0.17 0.00 0.00 175.17 176.22 2hca h VAL 426 N 0.24 1.22 0.00 0.00 2.07 -1.92 -2.71 116.25 115.16 2hca h VAL 426 Ca 0.46 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 67.33 2hca h VAL 426 Cb 0.84 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 2hca h VAL 426 CO -0.57 0.27 -0.70 0.18 0.02 0.00 0.00 177.57 176.76 2hca n LEU 427 N -4.33 0.63 -4.74 2.57 4.77 -0.23 -0.89 117.00 114.79 2hca n LEU 427 Ca 0.06 -0.10 -0.41 0.00 -0.03 0.00 0.00 56.01 55.53 2hca n LEU 427 Cb 0.16 -0.17 -0.03 0.00 -2.33 0.00 0.00 43.42 41.05 2hca n LEU 427 CO 0.39 0.13 1.00 -0.60 -1.33 0.00 0.00 177.39 176.97 2hca s ARG 428 N -3.04 4.38 0.46 3.23 3.52 0.27 -4.94 118.95 122.83 2hca s ARG 428 Ca 0.09 2.08 -0.24 0.00 -0.13 0.00 0.00 55.73 57.53 2hca s ARG 428 Cb 0.16 -3.18 -0.07 0.00 -1.56 0.00 0.00 34.95 30.30 2hca s ARG 428 CO 0.75 -0.26 1.31 -2.14 -0.81 0.00 0.00 175.30 174.15 2hca s PRO 429 N -0.19 3.66 0.13 5.12 0.02 -1.26 -4.89 135.00 137.59 2hca s PRO 429 Ca 0.57 2.14 -0.27 0.00 0.02 0.00 0.00 61.00 63.45 2hca s PRO 429 Cb -0.37 -2.54 -0.07 0.00 0.02 0.00 0.00 34.50 31.55 2hca s PRO 429 CO 0.39 -0.74 0.85 0.95 -0.33 0.00 0.00 177.00 178.12 2hca s THR 430 N -1.32 4.44 -0.79 0.99 -4.23 -1.26 -4.99 115.64 108.47 2hca s THR 430 Ca 0.63 1.86 0.24 0.00 -1.18 0.00 0.00 61.69 63.24 2hca s THR 430 Cb -0.38 -4.22 -0.01 0.00 1.34 0.00 0.00 72.50 69.24 2hca s THR 430 CO 0.47 0.42 1.29 -0.62 -0.54 0.00 0.00 174.62 175.64 2hca n GLU 431 N 2.22 0.16 -0.03 3.99 1.02 -1.26 -5.02 120.64 121.73 2hca n GLU 431 Ca -0.02 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 2hca n GLU 431 Cb 0.49 -1.58 -0.00 0.00 -0.02 0.00 0.00 31.44 30.32 2hca n GLU 431 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2hca n GLY 432 N 1.42 -2.03 3.25 0.62 0.00 -1.26 -4.94 105.19 102.25 2hca n GLY 432 Ca 0.04 -1.40 -0.09 0.00 0.00 0.00 0.00 46.02 44.56 2hca n GLY 432 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2hca s TYR 433 N -0.20 0.35 -0.45 1.61 -0.85 0.14 -4.82 117.35 113.13 2hca s TYR 433 Ca 0.00 -0.75 -0.16 0.00 -0.52 0.00 0.00 57.07 55.64 2hca s TYR 433 Cb 0.00 -0.12 0.05 0.00 0.38 0.00 0.00 41.96 42.27 2hca s TYR 433 CO 0.00 -0.61 0.38 -0.51 -1.52 0.00 0.00 175.55 173.29 2hca s LEU 434 N -2.93 5.30 0.13 -3.49 1.43 -1.26 0.16 118.68 118.02 2hca s LEU 434 Ca 0.12 -1.07 -0.31 0.00 -1.03 0.00 0.00 54.13 51.84 2hca s LEU 434 Cb 0.05 -2.21 -0.09 0.00 0.03 0.00 0.00 46.19 43.96 2hca s LEU 434 CO -0.05 -0.58 1.50 0.00 0.23 0.00 0.00 176.35 177.45 2hca s ALA 435 N 1.77 3.69 0.10 4.21 0.00 -0.61 -1.01 121.76 129.92 2hca s ALA 435 Ca 0.06 1.24 0.03 0.00 0.00 0.00 0.00 51.96 53.29 2hca s ALA 435 Cb -0.21 -3.60 -0.04 0.00 0.00 0.00 0.00 23.12 19.27 2hca s ALA 435 CO 0.09 -0.76 -0.09 0.14 0.00 0.00 0.00 175.76 175.14 2hca s VAL 436 N 1.35 0.91 -0.21 0.00 -7.23 -0.68 -1.57 120.40 112.97 2hca s VAL 436 Ca 0.68 -1.74 -0.07 0.00 -1.81 0.00 0.00 61.98 59.04 2hca s VAL 436 Cb -0.40 -1.47 -0.03 0.00 0.56 0.00 0.00 36.38 35.03 2hca s VAL 436 CO 0.31 -0.65 0.05 0.00 -0.31 0.00 0.00 175.10 174.50 2hca s ALA 437 N -2.78 3.25 0.04 1.32 0.00 -1.26 -2.49 121.76 119.84 2hca s ALA 437 Ca 0.08 -0.91 0.07 0.00 0.00 0.00 0.00 51.96 51.20 2hca s ALA 437 Cb -0.01 -1.94 -0.03 0.00 0.00 0.00 0.00 23.12 21.14 2hca s ALA 437 CO -0.01 -0.09 -0.18 0.08 0.00 0.00 0.00 175.76 175.56 2hca s VAL 438 N 0.88 2.77 0.19 0.00 1.01 -0.51 -0.67 120.40 124.07 2hca s VAL 438 Ca 0.03 -1.20 -0.01 0.00 0.00 0.00 0.00 61.98 60.80 2hca s VAL 438 Cb -0.14 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 2hca s VAL 438 CO 0.02 0.33 0.11 0.68 0.00 0.00 0.00 175.10 176.25 2hca s VAL 439 N -0.93 0.08 0.07 2.92 -7.23 0.72 -2.17 120.40 113.86 2hca s VAL 439 Ca 0.15 -1.98 -0.23 0.00 -1.81 0.00 0.00 61.98 58.11 2hca s VAL 439 Cb -0.10 -2.41 -0.06 0.00 0.56 0.00 0.00 36.38 34.36 2hca s VAL 439 CO 0.05 -0.11 0.69 -0.75 -0.31 0.00 0.00 175.10 174.68 2hca s LYS 440 N -4.12 4.42 0.25 4.82 2.47 -1.26 -1.43 119.74 124.88 2hca s LYS 440 Ca 0.35 0.95 -0.06 0.00 -1.56 0.00 0.00 55.97 55.66 2hca s LYS 440 Cb 0.07 -3.31 0.25 0.00 -1.46 0.00 0.00 37.83 33.39 2hca s LYS 440 CO 0.10 0.45 1.92 -0.22 0.16 0.00 0.00 175.35 177.76 2hca h LYS 441 N 5.07 1.32 -0.12 4.03 3.64 -0.11 -0.52 116.57 129.89 2hca h LYS 441 Ca -0.46 -0.09 0.03 0.00 -1.27 0.00 0.00 60.65 58.87 2hca h LYS 441 Cb 1.21 -0.29 -0.00 0.00 -0.41 0.00 0.00 32.23 32.73 2hca h LYS 441 CO 0.68 0.88 0.19 0.00 -2.27 0.00 0.00 179.45 178.93 2hca h ALA 442 N 1.36 1.57 -0.24 5.00 0.00 -1.94 -3.12 119.26 121.89 2hca h ALA 442 Ca 0.36 -0.00 -0.70 0.00 0.00 0.00 0.00 54.91 54.57 2hca h ALA 442 Cb -0.14 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 2hca h ALA 442 CO -0.08 -0.25 3.18 -1.71 0.00 0.00 0.00 179.25 180.39 2hca n ASN 443 N -3.49 6.95 -4.76 0.00 2.85 -0.20 -4.95 115.26 111.65 2hca n ASN 443 Ca 0.00 -2.82 -0.37 0.00 -0.11 0.00 0.00 54.58 51.29 2hca n ASN 443 Cb 0.29 -1.54 0.02 0.00 1.24 0.00 0.00 39.78 39.79 2hca n ASN 443 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 2hca s GLU 444 N 1.56 3.28 0.00 1.20 2.02 -1.18 -3.13 118.70 122.45 2hca s GLU 444 Ca 0.57 1.86 0.00 0.00 0.02 0.00 0.00 54.97 57.43 2hca s GLU 444 Cb 0.16 -2.14 0.00 0.00 0.10 0.00 0.00 34.13 32.25 2hca s GLU 444 CO -0.07 -0.96 0.00 0.41 0.02 0.00 0.00 175.26 174.66 2hca n GLY 445 N 0.49 2.72 3.60 -1.39 0.00 -1.26 -5.01 105.19 104.35 2hca n GLY 445 Ca 0.11 -0.37 -0.43 0.00 0.00 0.00 0.00 46.02 45.33 2hca n GLY 445 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2hca s LEU 446 N 0.00 3.50 0.23 0.99 2.96 -1.18 -4.87 118.68 120.30 2hca s LEU 446 Ca 0.00 1.55 0.09 0.00 -0.22 0.00 0.00 54.13 55.55 2hca s LEU 446 Cb 0.00 -3.52 -0.05 0.00 0.50 0.00 0.00 46.19 43.12 2hca s LEU 446 CO 0.00 -1.78 -0.15 0.42 -1.32 0.00 0.00 176.35 173.52 2hca s THR 447 N 7.34 1.91 0.63 3.68 -4.23 -1.26 -4.98 115.64 118.72 2hca s THR 447 Ca 0.88 -2.25 0.19 0.00 -1.18 0.00 0.00 61.69 59.33 2hca s THR 447 Cb -0.27 -2.16 0.25 0.00 1.34 0.00 0.00 72.50 71.67 2hca s THR 447 CO 0.34 -0.51 1.37 -0.25 -0.54 0.00 0.00 174.62 175.04 2hca h TRP 448 N 2.45 0.00 -0.00 3.99 2.91 -1.81 0.36 115.95 123.84 2hca h TRP 448 Ca -0.39 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.63 2hca h TRP 448 Cb 1.23 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.88 2hca h TRP 448 CO 0.74 0.00 -0.64 0.09 -1.03 0.00 0.00 178.44 177.59 2hca n ASN 449 N -3.03 0.89 -1.75 2.65 3.02 -1.26 -3.99 115.26 111.78 2hca n ASN 449 Ca 0.10 -0.71 -0.19 0.00 -0.03 0.00 0.00 54.58 53.76 2hca n ASN 449 Cb 1.09 0.52 0.08 0.00 -0.61 0.00 0.00 39.78 40.86 2hca n ASN 449 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2hca n SER 450 N -1.25 4.51 0.07 6.41 3.41 0.13 -4.73 113.62 122.15 2hca n SER 450 Ca 0.06 -3.78 -0.06 0.00 -0.26 0.00 0.00 58.87 54.82 2hca n SER 450 Cb 0.35 -0.49 -0.11 0.00 -0.26 0.00 0.00 64.21 63.70 2hca n SER 450 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2hca h LEU 451 N 1.83 0.00 -9.51 1.04 3.38 -1.67 -3.43 115.31 106.94 2hca h LEU 451 Ca 0.33 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.70 2hca h LEU 451 Cb 1.39 0.00 0.08 0.00 0.09 0.00 0.00 40.66 42.22 2hca h LEU 451 CO 0.72 0.96 0.55 1.17 0.09 0.00 0.00 178.44 181.93 2hca n LYS 452 N -3.35 1.82 -0.89 1.13 4.81 -1.26 -0.63 118.16 119.79 2hca n LYS 452 Ca 0.00 0.65 0.00 0.00 -0.87 0.00 0.00 58.31 58.09 2hca n LYS 452 Cb 0.92 -2.28 0.00 0.00 0.02 0.00 0.00 35.03 33.69 2hca n LYS 452 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2hca n ASP 453 N 2.25 -3.01 -3.99 3.14 10.43 0.62 -4.96 116.55 121.02 2hca n ASP 453 Ca 0.13 0.00 -0.30 0.00 2.57 0.00 0.00 54.79 57.19 2hca n ASP 453 Cb 0.29 -1.99 0.20 0.00 1.84 0.00 0.00 41.12 41.47 2hca n ASP 453 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 2hca s LYS 454 N -0.97 0.23 -0.13 -1.24 -0.14 0.20 -3.82 119.74 113.87 2hca s LYS 454 Ca 0.00 -0.43 -0.05 0.00 -1.36 0.00 0.00 55.97 54.13 2hca s LYS 454 Cb 0.00 -1.80 -0.04 0.00 -1.68 0.00 0.00 37.83 34.31 2hca s LYS 454 CO 0.00 -2.69 0.04 0.15 -0.76 0.00 0.00 175.35 172.09 2hca s LYS 455 N -5.87 3.49 0.12 1.68 1.02 -1.26 -1.26 119.74 117.66 2hca s LYS 455 Ca 0.75 -0.35 0.07 0.00 0.02 0.00 0.00 55.97 56.46 2hca s LYS 455 Cb -0.04 -3.02 -0.04 0.00 -0.52 0.00 0.00 37.83 34.22 2hca s LYS 455 CO 0.54 0.51 -0.18 -1.54 -0.92 0.00 0.00 175.35 173.76 2hca s SER 456 N -0.31 2.32 -0.18 2.83 1.04 -0.74 -1.00 113.70 117.66 2hca s SER 456 Ca 0.08 -0.75 0.00 0.00 0.48 0.00 0.00 55.95 55.76 2hca s SER 456 Cb -0.12 -0.11 0.04 0.00 0.10 0.00 0.00 66.02 65.92 2hca s SER 456 CO 0.02 -0.04 -0.09 0.00 0.98 0.00 0.00 173.24 174.11 2hca s HIS 458 N 1.48 2.54 0.07 0.00 3.76 -0.76 -1.13 115.29 121.25 2hca s HIS 458 Ca 0.00 -0.26 -0.20 0.00 -0.15 0.00 0.00 55.06 54.46 2hca s HIS 458 Cb -0.15 -1.26 -0.10 0.00 1.11 0.00 0.00 32.58 32.17 2hca s HIS 458 CO -0.08 0.49 1.49 1.79 -0.85 0.00 0.00 174.74 177.57 2hca h THR 459 N 3.01 1.26 0.00 1.30 1.35 -1.74 -3.41 112.91 114.69 2hca h THR 459 Ca -0.47 -0.91 0.00 0.00 -0.55 0.00 0.00 66.41 64.48 2hca h THR 459 Cb 1.20 1.47 0.00 0.00 -1.73 0.00 0.00 68.15 69.09 2hca h THR 459 CO 0.51 0.28 0.00 0.00 -0.25 0.00 0.00 175.52 176.06 2hca n ALA 460 N -2.34 0.00 -1.58 6.62 0.00 -1.26 0.02 120.51 121.98 2hca n ALA 460 Ca -0.04 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.00 2hca n ALA 460 Cb 0.24 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.72 2hca n ALA 460 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2hca n VAL 461 N -0.09 2.73 -0.73 0.00 0.31 0.27 -3.26 118.33 117.56 2hca n VAL 461 Ca 0.00 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.83 2hca n VAL 461 Cb 0.00 -1.03 0.00 0.00 -0.91 0.00 0.00 33.84 31.90 2hca n VAL 461 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 2hca n ASP 462 N 0.19 -0.45 -4.93 4.52 8.00 -1.26 -4.97 116.55 117.65 2hca n ASP 462 Ca 0.11 0.00 -0.26 0.00 0.71 0.00 0.00 54.79 55.35 2hca n ASP 462 Cb 0.43 -1.58 0.04 0.00 -0.02 0.00 0.00 41.12 39.99 2hca n ASP 462 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2hca s ARG 463 N -0.66 2.76 0.00 -1.24 0.52 -1.20 -3.86 118.95 115.27 2hca s ARG 463 Ca 0.00 -0.13 -0.05 0.00 -0.52 0.00 0.00 55.73 55.03 2hca s ARG 463 Cb 0.00 -2.28 -0.03 0.00 0.52 0.00 0.00 34.95 33.16 2hca s ARG 463 CO 0.00 -0.78 0.76 1.15 0.02 0.00 0.00 175.30 176.45 2hca h THR 464 N -0.21 0.00 0.00 0.02 2.02 -1.92 -0.69 112.91 112.13 2hca h THR 464 Ca -0.45 -0.06 -0.15 0.00 0.77 0.00 0.00 66.41 66.52 2hca h THR 464 Cb 1.27 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.66 2hca h THR 464 CO 0.60 0.00 -0.83 0.00 0.37 0.00 0.00 175.52 175.66 2hca h ALA 465 N -1.86 0.59 0.07 6.16 0.00 -1.88 -1.87 119.26 120.47 2hca h ALA 465 Ca -0.02 -0.68 -0.25 0.00 0.00 0.00 0.00 54.91 53.96 2hca h ALA 465 Cb 0.14 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.91 2hca h ALA 465 CO 0.03 0.88 -1.09 0.78 0.00 0.00 0.00 179.25 179.85 2hca h GLY 466 N 3.40 0.40 0.00 0.00 0.00 -1.72 -3.39 103.07 101.77 2hca h GLY 466 Ca -0.04 -0.84 0.00 0.00 0.00 0.00 0.00 47.33 46.45 2hca h GLY 466 CO 0.08 0.74 -0.00 1.87 0.00 0.00 0.00 176.54 179.22 2hca n TRP 467 N -3.66 -1.66 -0.24 5.60 -0.00 -1.10 -4.24 117.44 112.14 2hca n TRP 467 Ca -0.08 0.29 -0.07 0.00 -0.00 0.00 0.00 57.50 57.64 2hca n TRP 467 Cb 0.92 0.38 0.04 0.00 -0.00 0.00 0.00 31.31 32.65 2hca n TRP 467 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 177.69 176.78 2hca h ASN 468 N 0.00 1.00 0.30 5.87 2.35 -1.04 0.49 115.58 124.55 2hca h ASN 468 Ca 0.00 -0.21 -0.01 0.00 -0.55 0.00 0.00 56.30 55.52 2hca h ASN 468 Cb 0.00 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.11 2hca h ASN 468 CO 0.00 0.95 -0.15 0.40 -1.65 0.00 0.00 177.43 176.98 2hca h ILE 469 N 1.00 0.59 -0.10 2.81 1.08 -1.58 -2.21 117.51 119.09 2hca h ILE 469 Ca 0.22 -0.76 -0.01 0.00 -0.39 0.00 0.00 64.86 63.92 2hca h ILE 469 Cb 0.31 0.91 -0.00 0.00 -3.07 0.00 0.00 36.82 34.97 2hca h ILE 469 CO -0.01 0.12 0.02 1.55 -0.69 0.00 0.00 178.15 179.15 2hca h PRO 470 N -0.89 0.15 -0.23 2.37 0.13 -1.76 0.26 132.00 132.03 2hca h PRO 470 Ca -0.04 -0.04 -0.08 0.00 -0.87 0.00 0.00 66.00 64.97 2hca h PRO 470 Cb 0.52 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.61 2hca h PRO 470 CO 0.07 0.34 -0.19 0.52 -0.23 0.00 0.00 178.00 178.50 2hca h MET 471 N -0.06 0.40 -0.19 0.86 2.86 -1.06 -1.03 114.93 116.70 2hca h MET 471 Ca 0.03 -0.13 -0.00 0.00 -2.06 0.00 0.00 59.70 57.54 2hca h MET 471 Cb 0.25 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 2hca h MET 471 CO 0.00 0.58 0.12 0.78 1.06 0.00 0.00 176.91 179.45 2hca h GLY 472 N 0.95 0.28 1.21 8.32 0.00 -0.91 0.75 103.07 113.68 2hca h GLY 472 Ca 0.06 -0.11 -0.01 0.00 0.00 0.00 0.00 47.33 47.27 2hca h GLY 472 CO 0.04 0.11 0.44 1.41 0.00 0.00 0.00 176.54 178.54 2hca h LEU 473 N 0.23 0.92 -0.29 3.11 3.38 -0.69 -2.34 115.31 119.63 2hca h LEU 473 Ca 0.07 -0.06 -0.20 0.00 0.09 0.00 0.00 57.88 57.78 2hca h LEU 473 Cb 0.01 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 2hca h LEU 473 CO -0.01 0.72 -0.81 0.40 0.09 0.00 0.00 178.44 178.82 2hca h ILE 474 N 1.05 1.37 -0.11 1.22 2.04 -0.53 0.20 117.51 122.77 2hca h ILE 474 Ca 0.27 -2.23 -0.01 0.00 1.00 0.00 0.00 64.86 63.89 2hca h ILE 474 Cb -0.02 2.20 -0.00 0.00 -0.74 0.00 0.00 36.82 38.26 2hca h ILE 474 CO -0.05 0.67 0.01 0.58 0.00 0.00 0.00 178.15 179.36 2hca h VAL 475 N 0.29 1.24 0.53 1.67 2.07 -0.88 -2.06 116.25 119.11 2hca h VAL 475 Ca -0.05 -0.75 -0.02 0.00 0.82 0.00 0.00 66.70 66.70 2hca h VAL 475 Cb 1.42 1.53 -0.02 0.00 -1.52 0.00 0.00 31.29 32.70 2hca h VAL 475 CO 0.14 0.21 -0.47 0.78 0.02 0.00 0.00 177.57 178.26 2hca h ASN 476 N -0.07 -1.27 -0.68 0.57 2.35 -1.30 0.17 115.58 115.35 2hca h ASN 476 Ca 0.03 0.10 0.17 0.00 -0.55 0.00 0.00 56.30 56.04 2hca h ASN 476 Cb 0.33 0.41 -0.04 0.00 0.05 0.00 0.00 38.32 39.07 2hca h ASN 476 CO 0.00 -0.64 0.47 1.56 -1.65 0.00 0.00 177.43 177.17 2hca h GLN 477 N -0.98 0.18 0.00 0.81 4.20 -1.04 -2.90 115.11 115.38 2hca h GLN 477 Ca -0.07 -0.01 -0.14 0.00 0.06 0.00 0.00 58.65 58.49 2hca h GLN 477 Cb 0.84 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.55 2hca h GLN 477 CO -0.03 0.12 -1.72 2.41 -0.67 0.00 0.00 178.83 178.94 2hca n THR 478 N -4.41 0.84 -2.07 -0.54 -1.04 -0.77 -4.99 114.28 101.30 2hca n THR 478 Ca 0.13 -0.66 -0.09 0.00 -2.04 0.00 0.00 64.05 61.40 2hca n THR 478 Cb 0.62 -0.44 -0.01 0.00 -1.82 0.00 0.00 70.33 68.69 2hca n THR 478 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2hca n GLY 479 N 1.41 0.12 3.22 3.41 0.00 0.57 -5.03 105.19 108.88 2hca n GLY 479 Ca -0.12 -0.54 -0.12 0.00 0.00 0.00 0.00 46.02 45.24 2hca n GLY 479 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2hca s SER 480 N -2.64 -0.38 0.00 1.61 0.15 -1.20 -5.02 113.70 106.22 2hca s SER 480 Ca 0.00 0.72 0.08 0.00 0.70 0.00 0.00 55.95 57.45 2hca s SER 480 Cb 0.00 0.68 0.47 0.00 -1.71 0.00 0.00 66.02 65.46 2hca s SER 480 CO 0.00 -0.14 1.30 0.00 1.20 0.00 0.00 173.24 175.60 2hca n ALA 482 N -0.62 2.39 -0.02 0.00 0.00 -1.26 -4.55 120.51 116.45 2hca n ALA 482 Ca 0.06 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.71 2hca n ALA 482 Cb 0.03 -1.00 0.48 0.00 0.00 0.00 0.00 19.45 18.95 2hca n ALA 482 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2hca h PHE 483 N 0.17 0.00 0.00 0.00 -0.00 -1.98 1.06 116.94 116.20 2hca h PHE 483 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.97 2hca h PHE 483 Cb 0.78 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.73 2hca h PHE 483 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 178.31 177.91 2hca n ASP 484 N -3.22 0.00 -0.22 -0.68 5.75 -1.26 -3.14 116.55 113.79 2hca n ASP 484 Ca 0.14 0.02 0.03 0.00 -0.01 0.00 0.00 54.79 54.97 2hca n ASP 484 Cb 1.16 -0.28 0.03 0.00 -1.03 0.00 0.00 41.12 40.99 2hca n ASP 484 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2hca n GLU 485 N -1.28 0.17 -0.06 0.11 1.02 0.37 -4.78 120.64 116.19 2hca n GLU 485 Ca 0.09 -0.94 -0.13 0.00 -0.02 0.00 0.00 57.16 56.15 2hca n GLU 485 Cb 0.14 -1.10 -0.12 0.00 -0.02 0.00 0.00 31.44 30.34 2hca n GLU 485 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 2hca h PHE 486 N 1.00 -0.01 -3.34 -0.32 3.57 -1.64 -3.45 116.94 112.76 2hca h PHE 486 Ca 0.00 -0.00 -0.55 0.00 3.53 0.00 0.00 57.97 60.95 2hca h PHE 486 Cb 0.27 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.98 2hca h PHE 486 CO 0.02 0.85 -0.15 -0.06 -2.23 0.00 0.00 178.31 176.74 2hca s PHE 487 N -2.52 3.49 0.01 0.41 0.08 -1.26 -0.28 117.98 117.90 2hca s PHE 487 Ca -0.17 0.86 -0.23 0.00 0.12 0.00 0.00 56.93 57.51 2hca s PHE 487 Cb -0.02 -2.24 -0.17 0.00 -0.57 0.00 0.00 43.02 40.02 2hca s PHE 487 CO 0.65 0.36 1.28 0.66 -0.10 0.00 0.00 175.22 178.06 2hca h SER 488 N 2.95 0.24 -4.18 1.36 4.64 -1.28 -3.45 113.55 113.83 2hca h SER 488 Ca -0.47 -0.52 -0.18 0.00 -0.47 0.00 0.00 61.79 60.15 2hca h SER 488 Cb 1.18 -0.07 -0.25 0.00 -0.31 0.00 0.00 62.40 62.95 2hca h SER 488 CO 0.68 0.71 -0.55 -1.10 -0.87 0.00 0.00 176.83 175.71 2hca s GLN 489 N -4.14 0.25 0.27 4.77 -0.21 -1.25 -4.87 119.66 114.48 2hca s GLN 489 Ca -0.15 -0.02 0.01 0.00 0.02 0.00 0.00 55.36 55.22 2hca s GLN 489 Cb 0.03 0.11 -0.03 0.00 1.00 0.00 0.00 33.01 34.13 2hca s GLN 489 CO 0.73 -0.05 0.24 -1.12 -2.12 0.00 0.00 175.29 172.97 2hca s SER 490 N -0.42 0.78 -0.40 5.90 0.01 -0.97 -1.79 113.70 116.81 2hca s SER 490 Ca -0.05 -1.51 0.02 0.00 1.31 0.00 0.00 55.95 55.72 2hca s SER 490 Cb -0.03 0.49 0.12 0.00 0.21 0.00 0.00 66.02 66.80 2hca s SER 490 CO 0.00 -0.99 0.16 0.00 0.41 0.00 0.00 173.24 172.83 2hca s ALA 492 N 0.69 3.86 0.09 0.00 0.00 -0.14 -1.83 121.76 124.43 2hca s ALA 492 Ca 0.14 -3.54 -0.33 0.00 0.00 0.00 0.00 51.96 48.23 2hca s ALA 492 Cb -0.22 -2.70 -0.12 0.00 0.00 0.00 0.00 23.12 20.08 2hca s ALA 492 CO -0.08 -2.13 1.74 -2.30 0.00 0.00 0.00 175.76 172.99 2hca n PRO 493 N 2.92 2.38 0.00 0.00 -0.02 -1.26 -1.85 135.00 137.17 2hca n PRO 493 Ca 0.14 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.49 2hca n PRO 493 Cb 0.37 -2.69 0.00 0.00 -0.02 0.00 0.00 33.50 31.16 2hca n PRO 493 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2hca n GLY 494 N 3.92 1.15 3.94 -1.23 0.00 -0.77 -0.56 105.19 111.63 2hca n GLY 494 Ca 0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.94 2hca n GLY 494 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hca s ALA 495 N -2.03 2.99 0.04 4.61 0.00 -0.77 -4.94 121.76 121.66 2hca s ALA 495 Ca 0.00 -1.06 -0.30 0.00 0.00 0.00 0.00 51.96 50.59 2hca s ALA 495 Cb 0.00 -2.59 -0.08 0.00 0.00 0.00 0.00 23.12 20.45 2hca s ALA 495 CO 0.00 -1.60 1.82 0.34 0.00 0.00 0.00 175.76 176.32 2hca s ASP 496 N -4.63 6.52 0.42 0.00 -1.08 -1.26 -4.87 116.67 111.77 2hca s ASP 496 Ca 0.64 2.56 0.21 0.00 -0.52 0.00 0.00 52.55 55.43 2hca s ASP 496 Cb -0.09 -2.54 1.16 0.00 -1.46 0.00 0.00 42.92 40.00 2hca s ASP 496 CO 0.47 -0.99 1.79 -0.65 0.52 0.00 0.00 175.17 176.32 2hca h PRO 497 N 9.59 0.33 0.00 4.34 0.11 -1.93 0.25 132.00 144.69 2hca h PRO 497 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2hca h PRO 497 Cb 1.21 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2hca h PRO 497 CO 0.94 0.22 0.00 1.63 -0.21 0.00 0.00 178.00 180.58 2hca n LYS 498 N -4.54 0.36 -2.89 1.05 5.02 -1.26 -4.70 118.16 111.21 2hca n LYS 498 Ca 0.24 0.03 -0.24 0.00 -2.02 0.00 0.00 58.31 56.32 2hca n LYS 498 Cb 0.89 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 34.41 2hca n LYS 498 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2hca s SER 499 N -2.60 5.89 0.52 4.39 1.04 0.87 -4.99 113.70 118.83 2hca s SER 499 Ca 0.25 0.45 0.17 0.00 0.48 0.00 0.00 55.95 57.30 2hca s SER 499 Cb 0.18 -1.70 1.30 0.00 0.10 0.00 0.00 66.02 65.90 2hca s SER 499 CO 0.42 -0.71 2.15 0.08 0.98 0.00 0.00 173.24 176.16 2hca h ARG 500 N 0.32 0.00 0.00 4.02 0.11 -1.90 -2.20 114.38 114.73 2hca h ARG 500 Ca -0.46 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.62 2hca h ARG 500 Cb 1.24 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.32 2hca h ARG 500 CO 0.59 0.00 0.00 1.28 0.10 0.00 0.00 179.97 181.94 2hca n LEU 501 N -4.50 0.00 -0.22 0.08 4.77 -1.26 -2.15 117.00 113.72 2hca n LEU 501 Ca -0.02 0.50 0.04 0.00 -0.03 0.00 0.00 56.01 56.49 2hca n LEU 501 Cb 0.12 -0.50 0.01 0.00 -2.33 0.00 0.00 43.42 40.72 2hca n LEU 501 CO 0.34 -0.38 0.24 0.00 -1.33 0.00 0.00 177.39 176.26 2hca h ALA 503 N 1.48 1.99 -0.02 0.00 0.00 -1.13 -1.81 119.26 119.77 2hca h ALA 503 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2hca h ALA 503 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2hca h ALA 503 CO 0.00 -0.41 -0.22 1.28 0.00 0.00 0.00 179.25 179.90 2hca n LEU 504 N -4.73 1.93 -4.80 0.00 4.32 -0.28 -4.92 117.00 108.52 2hca n LEU 504 Ca 0.25 -0.65 -0.33 0.00 -0.02 0.00 0.00 56.01 55.26 2hca n LEU 504 Cb 0.78 -0.03 -0.01 0.00 -1.62 0.00 0.00 43.42 42.54 2hca n LEU 504 CO 0.22 0.34 0.72 0.00 -1.22 0.00 0.00 177.39 177.45 2hca n ALA 506 N -1.63 2.15 -0.20 0.00 0.00 -1.26 -4.83 120.51 114.74 2hca n ALA 506 Ca 0.09 -0.57 0.00 0.00 0.00 0.00 0.00 53.44 52.96 2hca n ALA 506 Cb 0.53 -0.28 0.00 0.00 0.00 0.00 0.00 19.45 19.70 2hca n ALA 506 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hca n GLY 507 N 1.92 -1.50 0.00 0.00 0.00 -1.26 -4.53 105.19 99.81 2hca n GLY 507 Ca -0.11 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.62 2hca n GLY 507 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2hca n ASP 508 N -0.14 0.00 -0.18 1.61 5.68 0.48 -3.07 116.55 120.93 2hca n ASP 508 Ca 0.00 -0.73 0.10 0.00 -0.50 0.00 0.00 54.79 53.66 2hca n ASP 508 Cb 0.00 0.00 0.41 0.00 -1.14 0.00 0.00 41.12 40.39 2hca n ASP 508 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 2hca h ASP 509 N 0.00 0.56 0.58 -1.12 3.32 -1.89 -0.82 116.42 117.05 2hca h ASP 509 Ca 0.00 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.07 2hca h ASP 509 Cb 0.00 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.45 2hca h ASP 509 CO 0.00 0.33 -0.21 0.00 -1.72 0.00 0.00 179.24 177.64 2hca n GLN 510 N -4.50 0.28 -0.71 3.56 6.02 -1.26 -4.93 117.38 115.84 2hca n GLN 510 Ca 0.13 -0.11 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 2hca n GLN 510 Cb 0.37 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.13 2hca n GLN 510 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2hca n GLY 511 N 1.41 0.75 3.92 1.08 0.00 -0.31 -5.06 105.19 106.98 2hca n GLY 511 Ca 0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.85 2hca n GLY 511 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2hca s LEU 512 N 0.00 2.94 -1.56 0.99 1.43 -1.26 -4.40 118.68 116.82 2hca s LEU 512 Ca 0.00 0.61 -0.01 0.00 -1.03 0.00 0.00 54.13 53.71 2hca s LEU 512 Cb 0.00 -3.33 0.00 0.00 0.03 0.00 0.00 46.19 42.89 2hca s LEU 512 CO 0.00 -1.42 0.12 0.47 0.23 0.00 0.00 176.35 175.75 2hca n ASP 513 N -2.84 -5.48 -4.69 2.29 9.92 -1.26 -0.39 116.55 114.10 2hca n ASP 513 Ca 0.07 -0.07 -0.51 0.00 -0.53 0.00 0.00 54.79 53.75 2hca n ASP 513 Cb 0.59 -4.49 -0.05 0.00 -0.64 0.00 0.00 41.12 36.53 2hca n ASP 513 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 2hca n LYS 514 N -2.99 1.89 -0.91 -1.24 4.81 -1.26 -1.60 118.16 116.85 2hca n LYS 514 Ca -0.20 0.69 0.00 0.00 -0.87 0.00 0.00 58.31 57.93 2hca n LYS 514 Cb 0.66 -2.49 0.00 0.00 0.02 0.00 0.00 35.03 33.22 2hca n LYS 514 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2hca s VAL 516 N -3.00 2.07 -1.39 0.00 -7.23 -0.63 -1.85 120.40 108.38 2hca s VAL 516 Ca 0.00 0.07 -0.07 0.00 -1.81 0.00 0.00 61.98 60.17 2hca s VAL 516 Cb 0.00 -3.05 0.08 0.00 0.56 0.00 0.00 36.38 33.97 2hca s VAL 516 CO 0.00 0.02 2.44 -0.81 -0.31 0.00 0.00 175.10 176.44 2hca n PRO 517 N 0.31 4.23 -3.67 4.82 -0.04 -1.26 -4.37 135.00 135.01 2hca n PRO 517 Ca 0.02 -3.17 -0.10 0.00 -0.04 0.00 0.00 63.50 60.21 2hca n PRO 517 Cb 0.40 -2.73 -0.03 0.00 -0.04 0.00 0.00 33.50 31.11 2hca n PRO 517 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2hca s ASN 518 N 0.91 -0.37 0.03 3.54 2.20 -1.26 -4.43 114.94 115.56 2hca s ASN 518 Ca 0.55 -0.36 0.02 0.00 -0.94 0.00 0.00 52.86 52.13 2hca s ASN 518 Cb 0.17 0.63 0.08 0.00 -2.00 0.00 0.00 41.25 40.14 2hca s ASN 518 CO -0.07 -1.12 0.92 -1.54 -2.94 0.00 0.00 177.10 172.35 2hca n SER 519 N -0.39 0.04 0.26 3.54 3.41 -1.26 -1.57 113.62 117.65 2hca n SER 519 Ca -0.10 0.39 0.13 0.00 -0.26 0.00 0.00 58.87 59.03 2hca n SER 519 Cb 0.62 -0.39 0.66 0.00 -0.26 0.00 0.00 64.21 64.84 2hca n SER 519 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2hca h LYS 520 N 0.00 0.00 -6.27 4.33 1.57 -1.94 -3.41 116.57 110.85 2hca h LYS 520 Ca 0.00 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.22 2hca h LYS 520 Cb 0.28 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.56 2hca h LYS 520 CO 0.00 0.13 0.69 -2.00 -0.57 0.00 0.00 179.45 177.70 2hca s GLU 521 N -3.90 4.35 0.43 3.15 2.56 -0.61 -3.17 118.70 121.52 2hca s GLU 521 Ca -0.01 1.58 0.22 0.00 0.00 0.00 0.00 54.97 56.76 2hca s GLU 521 Cb 0.11 -3.58 1.21 0.00 2.00 0.00 0.00 34.13 33.87 2hca s GLU 521 CO 0.58 -0.45 1.78 -0.22 -0.56 0.00 0.00 175.26 176.40 2hca h LYS 522 N 7.43 0.29 -0.25 4.30 3.64 -1.77 -2.54 116.57 127.67 2hca h LYS 522 Ca -0.32 -0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 58.94 2hca h LYS 522 Cb 1.14 -0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 32.83 2hca h LYS 522 CO 0.89 0.19 -0.14 0.66 -2.27 0.00 0.00 179.45 178.79 2hca n TYR 523 N -4.53 0.80 -2.93 1.91 4.01 -1.26 -4.38 117.16 110.78 2hca n TYR 523 Ca 0.25 -1.44 -0.35 0.00 -0.16 0.00 0.00 57.90 56.19 2hca n TYR 523 Cb 0.95 -0.40 -0.06 0.00 -0.31 0.00 0.00 39.34 39.51 2hca n TYR 523 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 2hca s TYR 524 N -3.16 3.57 0.29 -0.72 5.04 -0.96 -3.19 117.35 118.22 2hca s TYR 524 Ca 0.42 1.56 0.00 0.00 -2.44 0.00 0.00 57.07 56.61 2hca s TYR 524 Cb 0.38 -2.77 0.00 0.00 0.35 0.00 0.00 41.96 39.92 2hca s TYR 524 CO 0.00 0.17 0.00 0.41 -1.34 0.00 0.00 175.55 174.79 2hca n GLY 525 N 0.26 -1.88 0.29 8.97 0.00 0.10 -2.49 105.19 110.44 2hca n GLY 525 Ca 0.02 -1.22 -0.03 0.00 0.00 0.00 0.00 46.02 44.79 2hca n GLY 525 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2hca h TYR 526 N -1.11 -0.60 -0.16 1.61 0.05 -1.93 0.71 116.97 115.54 2hca h TYR 526 Ca 0.01 0.06 -0.01 0.00 0.05 0.00 0.00 58.73 58.84 2hca h TYR 526 Cb 1.09 0.35 -0.01 0.00 1.01 0.00 0.00 36.73 39.18 2hca h TYR 526 CO -2.48 -0.32 0.04 1.15 -1.05 0.00 0.00 178.16 175.50 2hca h THR 527 N -0.10 1.19 -0.60 -2.88 2.02 -1.88 -1.93 112.91 108.73 2hca h THR 527 Ca 0.25 -0.61 -0.07 0.00 0.77 0.00 0.00 66.41 66.76 2hca h THR 527 Cb 0.50 1.30 -0.03 0.00 -1.74 0.00 0.00 68.15 68.19 2hca h THR 527 CO -0.63 0.18 0.09 1.23 0.37 0.00 0.00 175.52 176.77 2hca h GLY 528 N 0.06 1.06 1.64 2.16 0.00 -1.08 0.33 103.07 107.24 2hca h GLY 528 Ca 0.05 -0.68 -0.11 0.00 0.00 0.00 0.00 47.33 46.59 2hca h GLY 528 CO -0.00 0.63 -0.34 0.00 0.00 0.00 0.00 176.54 176.83 2hca h ALA 529 N 1.17 1.05 -0.01 3.60 0.00 -0.84 0.47 119.26 124.70 2hca h ALA 529 Ca 0.19 -0.39 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 2hca h ALA 529 Cb 0.41 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.10 2hca h ALA 529 CO 0.01 0.59 -0.31 0.35 0.00 0.00 0.00 179.25 179.88 2hca h PHE 530 N 0.35 0.33 -0.81 0.00 3.57 -0.84 -2.87 116.94 116.67 2hca h PHE 530 Ca 0.04 -0.17 0.17 0.00 3.53 0.00 0.00 57.97 61.53 2hca h PHE 530 Cb 0.77 -0.04 -0.10 0.00 2.79 0.00 0.00 35.95 39.37 2hca h PHE 530 CO 0.02 0.97 0.34 -0.09 -2.23 0.00 0.00 178.31 177.32 2hca h ARG 531 N -0.41 0.44 -1.02 1.11 2.43 -0.29 0.21 114.38 116.85 2hca h ARG 531 Ca -0.04 -0.03 0.24 0.00 -0.81 0.00 0.00 59.98 59.35 2hca h ARG 531 Cb 1.05 -0.10 -0.11 0.00 -0.42 0.00 0.00 29.97 30.40 2hca h ARG 531 CO 0.06 0.29 0.63 0.00 -1.51 0.00 0.00 179.97 179.44 2hca h LEU 533 N 0.54 0.69 -1.04 0.00 5.85 -0.63 -1.42 115.31 119.30 2hca h LEU 533 Ca 0.61 -0.82 0.01 0.00 0.84 0.00 0.00 57.88 58.52 2hca h LEU 533 Cb 1.28 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 42.03 2hca h LEU 533 CO -0.39 1.66 0.65 0.00 -0.34 0.00 0.00 178.44 180.02 2hca h ALA 534 N 0.23 1.31 -0.04 1.25 0.00 0.18 0.24 119.26 122.44 2hca h ALA 534 Ca -0.26 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2hca h ALA 534 Cb 2.12 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 19.51 2hca h ALA 534 CO 0.23 0.64 0.00 0.39 0.00 0.00 0.00 179.25 180.51 2hca n GLU 535 N -4.39 1.09 -1.62 0.00 1.02 -0.08 -4.87 120.64 111.79 2hca n GLU 535 Ca 0.12 -0.14 -0.20 0.00 -0.02 0.00 0.00 57.16 56.91 2hca n GLU 535 Cb 0.02 -1.07 -0.08 0.00 -0.02 0.00 0.00 31.44 30.28 2hca n GLU 535 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2hca n ASP 536 N -0.43 -5.37 -0.05 1.62 8.00 0.86 -4.82 116.55 116.36 2hca n ASP 536 Ca 0.03 0.49 -0.06 0.00 0.71 0.00 0.00 54.79 55.96 2hca n ASP 536 Cb 0.04 -4.75 0.13 0.00 -0.02 0.00 0.00 41.12 36.53 2hca n ASP 536 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2hca h VAL 537 N 0.00 1.27 -2.27 2.53 2.07 -1.64 -3.46 116.25 114.75 2hca h VAL 537 Ca -0.42 -1.31 -0.58 0.00 0.82 0.00 0.00 66.70 65.22 2hca h VAL 537 Cb 1.33 1.25 -0.14 0.00 -1.52 0.00 0.00 31.29 32.21 2hca h VAL 537 CO 0.61 0.43 -0.72 -0.83 0.02 0.00 0.00 177.57 177.08 2hca s GLY 538 N -3.90 1.91 0.10 2.17 0.00 -0.58 -4.92 107.32 102.10 2hca s GLY 538 Ca -0.08 -1.92 0.16 0.00 0.00 0.00 0.00 44.72 42.88 2hca s GLY 538 CO 0.82 -1.94 0.95 -0.55 0.00 0.00 0.00 173.10 172.37 2hca h ASP 539 N 2.23 0.00 -4.67 1.64 3.32 -1.40 -3.42 116.42 114.12 2hca h ASP 539 Ca -0.40 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.50 2hca h ASP 539 Cb 1.25 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.58 2hca h ASP 539 CO 0.64 0.60 -0.46 0.54 -1.72 0.00 0.00 179.24 178.84 2hca s VAL 540 N -2.91 0.06 -0.06 -1.35 0.11 -0.76 -4.46 120.40 111.02 2hca s VAL 540 Ca -0.02 -0.48 0.01 0.00 -2.93 0.00 0.00 61.98 58.56 2hca s VAL 540 Cb 0.08 -0.42 0.02 0.00 -1.53 0.00 0.00 36.38 34.54 2hca s VAL 540 CO 0.80 -0.26 -0.06 0.00 -3.33 0.00 0.00 175.10 172.25 2hca s ALA 541 N -0.99 0.89 -0.80 1.54 0.00 -0.92 0.27 121.76 121.76 2hca s ALA 541 Ca -0.11 -0.21 -0.15 0.00 0.00 0.00 0.00 51.96 51.49 2hca s ALA 541 Cb -0.06 -0.57 0.19 0.00 0.00 0.00 0.00 23.12 22.68 2hca s ALA 541 CO 0.02 -0.10 0.80 -0.06 0.00 0.00 0.00 175.76 176.41 2hca s PHE 542 N 1.11 3.55 0.00 0.00 0.08 -0.28 -1.43 117.98 121.01 2hca s PHE 542 Ca -0.07 -1.75 0.00 0.00 0.12 0.00 0.00 56.93 55.23 2hca s PHE 542 Cb -0.14 -3.91 0.00 0.00 -0.57 0.00 0.00 43.02 38.40 2hca s PHE 542 CO -0.01 -1.10 0.00 1.33 -0.10 0.00 0.00 175.22 175.34 2hca n VAL 543 N 4.47 0.00 -4.29 -0.44 0.24 -1.04 -3.66 118.33 113.61 2hca n VAL 543 Ca 0.11 0.00 -0.27 0.00 -2.04 0.00 0.00 64.34 62.14 2hca n VAL 543 Cb 0.46 0.00 -0.07 0.00 -1.47 0.00 0.00 33.84 32.76 2hca n VAL 543 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 2hca s LYS 544 N 1.65 2.19 0.16 7.34 -2.85 -1.26 -1.68 119.74 125.28 2hca s LYS 544 Ca 0.00 -2.03 -0.16 0.00 -1.00 0.00 0.00 55.97 52.78 2hca s LYS 544 Cb 0.00 -1.86 0.06 0.00 -2.06 0.00 0.00 37.83 33.98 2hca s LYS 544 CO 0.00 -0.24 1.76 -0.97 0.10 0.00 0.00 175.35 176.00 2hca h ASN 545 N 1.34 0.22 -0.81 0.03 -1.24 -1.42 -2.95 115.58 110.75 2hca h ASN 545 Ca -0.42 0.03 0.08 0.00 0.71 0.00 0.00 56.30 56.70 2hca h ASN 545 Cb 1.27 -0.01 -0.05 0.00 0.73 0.00 0.00 38.32 40.26 2hca h ASN 545 CO 0.70 0.16 0.53 0.44 -1.29 0.00 0.00 177.43 177.98 2hca h ASP 546 N 0.34 0.72 -0.80 1.15 5.19 -1.97 -2.39 116.42 118.67 2hca h ASP 546 Ca 0.17 0.01 0.09 0.00 -0.62 0.00 0.00 57.03 56.68 2hca h ASP 546 Cb 0.11 -0.14 -0.07 0.00 0.18 0.00 0.00 39.33 39.41 2hca h ASP 546 CO -0.14 0.44 0.45 0.74 -3.12 0.00 0.00 179.24 177.61 2hca h THR 547 N 0.81 0.90 0.18 0.35 2.02 -1.93 -0.95 112.91 114.28 2hca h THR 547 Ca 0.36 -0.26 -0.01 0.00 0.77 0.00 0.00 66.41 67.28 2hca h THR 547 Cb 0.36 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.85 2hca h THR 547 CO -0.14 0.14 -0.08 0.58 0.37 0.00 0.00 175.52 176.38 2hca h VAL 548 N 0.75 0.91 0.00 3.16 2.07 -1.54 -2.68 116.25 118.93 2hca h VAL 548 Ca 0.38 -0.45 0.02 0.00 0.82 0.00 0.00 66.70 67.48 2hca h VAL 548 Cb 0.35 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 2hca h VAL 548 CO -0.25 0.10 -0.14 -0.50 0.02 0.00 0.00 177.57 176.80 2hca h TRP 549 N -0.46 -0.37 -0.34 1.57 4.06 -1.59 -2.47 115.95 116.35 2hca h TRP 549 Ca -0.02 0.01 0.10 0.00 2.06 0.00 0.00 58.89 61.04 2hca h TRP 549 Cb 0.35 0.17 -0.01 0.00 -1.00 0.00 0.00 29.16 28.66 2hca h TRP 549 CO -0.00 -0.21 0.32 0.93 -3.56 0.00 0.00 178.44 175.91 2hca h GLU 550 N -0.24 0.00 -0.04 0.49 5.08 -1.19 -3.02 114.58 115.66 2hca h GLU 550 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2hca h GLU 550 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 2hca h GLU 550 CO -0.14 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 177.96 2hca n ASN 551 N -3.97 1.82 -4.52 1.42 3.02 -1.01 -3.56 115.26 108.46 2hca n ASN 551 Ca 0.05 -1.43 -0.25 0.00 -0.03 0.00 0.00 54.58 52.92 2hca n ASN 551 Cb 0.48 -0.02 -0.10 0.00 -0.61 0.00 0.00 39.78 39.53 2hca n ASN 551 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2hca s THR 552 N -0.72 2.42 -1.32 3.41 -4.23 -0.95 -4.49 115.64 109.75 2hca s THR 552 Ca 0.11 -2.28 -0.06 0.00 -1.18 0.00 0.00 61.69 58.28 2hca s THR 552 Cb 0.07 -2.50 0.01 0.00 1.34 0.00 0.00 72.50 71.43 2hca s THR 552 CO 0.10 -0.30 1.07 0.59 -0.54 0.00 0.00 174.62 175.54 2hca n ASN 553 N -0.73 -4.39 -0.82 3.99 4.13 -0.17 -2.92 115.26 114.35 2hca n ASN 553 Ca -0.05 -0.61 -0.10 0.00 1.68 0.00 0.00 54.58 55.50 2hca n ASN 553 Cb 0.62 -4.86 -0.03 0.00 -1.54 0.00 0.00 39.78 33.96 2hca n ASN 553 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2hca n GLY 554 N -1.66 0.87 0.10 7.41 0.00 -1.26 -4.94 105.19 105.72 2hca n GLY 554 Ca -0.11 -0.57 -0.02 0.00 0.00 0.00 0.00 46.02 45.32 2hca n GLY 554 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2hca h GLU 555 N 0.00 0.00 0.02 1.61 4.39 -1.77 -3.38 114.58 115.44 2hca h GLU 555 Ca -0.21 0.00 -0.34 0.00 0.34 0.00 0.00 59.36 59.16 2hca h GLU 555 Cb 0.75 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.35 2hca h GLU 555 CO 0.29 0.56 -2.05 0.45 -1.16 0.00 0.00 179.01 177.10 2hca n SER 556 N -3.13 0.89 0.00 1.42 2.88 -1.23 -4.90 113.62 109.55 2hca n SER 556 Ca -0.05 0.20 0.00 0.00 -1.33 0.00 0.00 58.87 57.69 2hca n SER 556 Cb 0.86 0.12 0.00 0.00 -0.75 0.00 0.00 64.21 64.45 2hca n SER 556 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2hca n THR 557 N -3.04 0.00 -1.90 2.46 -2.24 -1.26 -4.93 114.28 103.37 2hca n THR 557 Ca -0.27 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.09 2hca n THR 557 Cb 1.08 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 69.29 2hca n THR 557 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2hca s ALA 558 N -1.10 3.70 0.05 6.98 0.00 -1.26 -4.65 121.76 125.48 2hca s ALA 558 Ca 0.00 1.44 -0.07 0.00 0.00 0.00 0.00 51.96 53.33 2hca s ALA 558 Cb 0.00 -3.60 0.02 0.00 0.00 0.00 0.00 23.12 19.53 2hca s ALA 558 CO 0.00 -0.85 0.40 -0.40 0.00 0.00 0.00 175.76 174.92 2hca n ASP 559 N 2.46 -0.23 0.00 0.00 5.75 -1.26 -0.00 116.55 123.27 2hca n ASP 559 Ca 0.08 0.46 0.11 0.00 -0.01 0.00 0.00 54.79 55.44 2hca n ASP 559 Cb 0.39 -0.08 0.55 0.00 -1.03 0.00 0.00 41.12 40.95 2hca n ASP 559 CO 0.00 0.00 0.00 -2.67 -0.11 0.00 0.00 177.20 174.42 2hca n TRP 560 N -4.35 0.00 0.00 2.11 4.27 -1.26 -4.02 117.44 114.19 2hca n TRP 560 Ca 0.01 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.62 2hca n TRP 560 Cb 0.08 -0.39 0.00 0.00 -1.36 0.00 0.00 31.31 29.65 2hca n TRP 560 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2hca n ALA 561 N -1.39 1.63 -0.20 -1.67 0.00 1.00 -4.80 120.51 115.08 2hca n ALA 561 Ca 0.09 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.50 2hca n ALA 561 Cb 0.23 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.76 2hca n ALA 561 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 2hca h LYS 562 N 0.00 0.51 -0.18 0.00 2.10 -1.46 -2.54 116.57 115.00 2hca h LYS 562 Ca 0.00 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 2hca h LYS 562 Cb 0.00 -0.12 0.00 0.00 -0.90 0.00 0.00 32.23 31.21 2hca h LYS 562 CO 0.00 0.34 0.00 0.09 -2.00 0.00 0.00 179.45 177.88 2hca n ASN 563 N -4.89 1.40 -4.72 7.07 3.02 -1.26 -4.01 115.26 111.87 2hca n ASN 563 Ca 0.07 -1.75 -0.42 0.00 -0.03 0.00 0.00 54.58 52.45 2hca n ASN 563 Cb 0.19 -0.12 -0.03 0.00 -0.61 0.00 0.00 39.78 39.21 2hca n ASN 563 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2hca s LEU 564 N -1.40 4.41 -0.04 3.41 1.43 -0.96 -5.01 118.68 120.53 2hca s LEU 564 Ca 0.28 1.95 0.05 0.00 -1.03 0.00 0.00 54.13 55.38 2hca s LEU 564 Cb 0.15 -3.59 -0.02 0.00 0.03 0.00 0.00 46.19 42.76 2hca s LEU 564 CO 0.22 -0.33 -0.20 -0.75 0.23 0.00 0.00 176.35 175.52 2hca s LYS 565 N 0.55 2.38 0.22 1.70 2.20 -1.26 -1.00 119.74 124.53 2hca s LYS 565 Ca 0.54 -0.81 -0.08 0.00 -0.36 0.00 0.00 55.97 55.26 2hca s LYS 565 Cb -0.27 -2.24 0.35 0.00 -1.51 0.00 0.00 37.83 34.16 2hca s LYS 565 CO 0.31 0.56 1.71 0.00 -0.36 0.00 0.00 175.35 177.57 2hca h ARG 566 N 5.51 0.29 0.00 4.03 3.08 -1.92 -2.50 114.38 122.86 2hca h ARG 566 Ca -0.43 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.60 2hca h ARG 566 Cb 1.14 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.13 2hca h ARG 566 CO 0.49 0.19 0.00 -0.85 -1.07 0.00 0.00 179.97 178.73 2hca n GLU 567 N -5.11 0.05 -0.03 0.04 0.00 -1.26 0.46 120.64 114.79 2hca n GLU 567 Ca 0.11 0.25 0.13 0.00 0.00 0.00 0.00 57.16 57.65 2hca n GLU 567 Cb 0.36 -1.50 0.35 0.00 0.00 0.00 0.00 31.44 30.64 2hca n GLU 567 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2hca n ASP 568 N -1.29 2.15 -4.72 -1.84 8.00 -0.94 -4.87 116.55 113.04 2hca n ASP 568 Ca 0.02 -1.73 -0.25 0.00 0.71 0.00 0.00 54.79 53.54 2hca n ASP 568 Cb 0.03 -0.05 -0.08 0.00 -0.02 0.00 0.00 41.12 41.01 2hca n ASP 568 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2hca s PHE 569 N -1.91 2.60 -0.18 1.24 0.08 0.17 0.59 117.98 120.58 2hca s PHE 569 Ca 0.34 -0.57 -0.25 0.00 0.12 0.00 0.00 56.93 56.58 2hca s PHE 569 Cb 0.20 -1.89 0.06 0.00 -0.57 0.00 0.00 43.02 40.83 2hca s PHE 569 CO 0.31 0.24 0.64 1.03 -0.10 0.00 0.00 175.22 177.34 2hca s ARG 570 N -3.87 0.84 0.19 0.44 1.81 -0.51 -4.60 118.95 113.24 2hca s ARG 570 Ca 0.40 0.67 -0.07 0.00 -1.72 0.00 0.00 55.73 55.00 2hca s ARG 570 Cb 0.04 0.40 -0.06 0.00 -0.45 0.00 0.00 34.95 34.88 2hca s ARG 570 CO 0.22 -0.16 0.47 -0.51 -0.68 0.00 0.00 175.30 174.63 2hca s LEU 571 N -0.17 4.22 -0.40 2.53 1.43 0.20 -0.20 118.68 126.29 2hca s LEU 571 Ca -0.04 0.76 -0.11 0.00 -1.03 0.00 0.00 54.13 53.72 2hca s LEU 571 Cb -0.03 -3.50 0.05 0.00 0.03 0.00 0.00 46.19 42.74 2hca s LEU 571 CO 0.04 -0.01 0.24 -0.76 0.23 0.00 0.00 176.35 176.09 2hca s LEU 572 N -2.72 4.96 0.64 1.79 1.43 0.15 -1.61 118.68 123.32 2hca s LEU 572 Ca 0.44 -1.20 -0.11 0.00 -1.03 0.00 0.00 54.13 52.23 2hca s LEU 572 Cb -0.12 -2.03 -0.03 0.00 0.03 0.00 0.00 46.19 44.05 2hca s LEU 572 CO 0.23 -0.46 1.04 0.00 0.23 0.00 0.00 176.35 177.38 2hca n LEU 574 N -2.84 0.52 -0.18 0.00 4.77 -1.26 -3.09 117.00 114.93 2hca n LEU 574 Ca 0.06 0.57 0.01 0.00 -0.03 0.00 0.00 56.01 56.62 2hca n LEU 574 Cb 0.54 -0.42 0.02 0.00 -2.33 0.00 0.00 43.42 41.23 2hca n LEU 574 CO 0.57 -0.20 0.47 -0.90 -1.33 0.00 0.00 177.39 176.01 2hca n ASP 575 N -2.01 0.43 0.00 -1.43 5.75 -1.26 -4.83 116.55 113.20 2hca n ASP 575 Ca 0.05 -2.01 0.00 0.00 -0.01 0.00 0.00 54.79 52.82 2hca n ASP 575 Cb 0.35 -0.12 0.00 0.00 -1.03 0.00 0.00 41.12 40.33 2hca n ASP 575 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2hca n GLY 576 N 0.47 1.18 3.95 6.12 0.00 -1.18 -5.03 105.19 110.71 2hca n GLY 576 Ca 0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 2hca n GLY 576 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2hca s THR 577 N -3.61 2.14 -0.05 2.61 2.01 -1.26 -4.60 115.64 112.87 2hca s THR 577 Ca 0.00 -0.29 0.01 0.00 0.31 0.00 0.00 61.69 61.72 2hca s THR 577 Cb 0.00 -2.85 0.02 0.00 0.01 0.00 0.00 72.50 69.68 2hca s THR 577 CO 0.00 0.00 -0.05 -0.13 -0.69 0.00 0.00 174.62 173.75 2hca s ARG 578 N -5.42 0.91 0.18 4.92 0.52 -1.26 -2.49 118.95 116.31 2hca s ARG 578 Ca 0.67 -0.12 0.08 0.00 -0.52 0.00 0.00 55.73 55.84 2hca s ARG 578 Cb -0.07 -0.93 -0.04 0.00 0.52 0.00 0.00 34.95 34.43 2hca s ARG 578 CO 0.47 -0.10 -0.17 0.15 0.02 0.00 0.00 175.30 175.68 2hca s LYS 579 N 1.01 1.30 0.79 3.54 1.02 -0.64 -4.94 119.74 121.83 2hca s LYS 579 Ca -0.09 -1.49 -0.13 0.00 0.02 0.00 0.00 55.97 54.28 2hca s LYS 579 Cb -0.14 -1.24 0.07 0.00 -0.52 0.00 0.00 37.83 36.00 2hca s LYS 579 CO -0.00 0.23 1.18 -2.14 -0.92 0.00 0.00 175.35 173.70 2hca s PRO 580 N -3.16 1.80 0.00 -1.68 0.02 -1.26 -0.62 135.00 130.10 2hca s PRO 580 Ca 0.19 1.66 0.08 0.00 0.02 0.00 0.00 61.00 62.95 2hca s PRO 580 Cb -0.04 -1.80 0.46 0.00 0.02 0.00 0.00 34.50 33.14 2hca s PRO 580 CO 0.07 -2.07 1.03 1.33 -0.33 0.00 0.00 177.00 177.02 2hca n VAL 581 N -3.23 0.36 0.02 3.83 0.24 -1.26 -1.59 118.33 116.69 2hca n VAL 581 Ca 0.13 0.09 -0.09 0.00 -2.04 0.00 0.00 64.34 62.42 2hca n VAL 581 Cb 0.51 -0.96 -0.13 0.00 -1.47 0.00 0.00 33.84 31.79 2hca n VAL 581 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 2hca h THR 582 N 0.00 1.16 -0.40 3.34 1.35 -1.99 -3.34 112.91 113.04 2hca h THR 582 Ca 0.00 -2.94 -0.26 0.00 -0.55 0.00 0.00 66.41 62.66 2hca h THR 582 Cb 0.03 2.60 -0.10 0.00 -1.73 0.00 0.00 68.15 68.96 2hca h THR 582 CO 0.00 0.70 0.18 -0.62 -0.25 0.00 0.00 175.52 175.52 2hca n GLU 583 N -3.21 1.76 -0.23 4.72 4.71 -0.62 -4.60 120.64 123.16 2hca n GLU 583 Ca -0.12 -1.24 -0.07 0.00 -0.01 0.00 0.00 57.16 55.72 2hca n GLU 583 Cb 1.01 -1.63 0.04 0.00 -1.01 0.00 0.00 31.44 29.85 2hca n GLU 583 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2hca h ALA 584 N 1.91 0.85 0.00 0.62 0.00 -1.77 -2.82 119.26 118.06 2hca h ALA 584 Ca 0.22 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2hca h ALA 584 Cb 1.00 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 2hca h ALA 584 CO 0.51 0.49 -0.05 0.37 0.00 0.00 0.00 179.25 180.56 2hca h GLN 585 N 0.93 0.00 -0.38 0.00 5.75 -1.94 -2.52 115.11 116.95 2hca h GLN 585 Ca 0.22 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.72 2hca h GLN 585 Cb 0.24 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.79 2hca h GLN 585 CO -0.01 0.05 0.00 -1.13 -2.65 0.00 0.00 178.83 175.09 2hca n SER 586 N -3.80 3.70 -2.82 -0.69 3.41 -1.08 -4.72 113.62 107.62 2hca n SER 586 Ca -0.03 -2.47 -0.11 0.00 -0.26 0.00 0.00 58.87 56.00 2hca n SER 586 Cb 0.15 -0.42 0.05 0.00 -0.26 0.00 0.00 64.21 63.73 2hca n SER 586 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2hca s HIS 588 N -0.01 1.47 0.01 0.00 -0.00 -1.24 -4.64 115.29 110.87 2hca s HIS 588 Ca 0.28 -0.81 0.08 0.00 -0.00 0.00 0.00 55.06 54.61 2hca s HIS 588 Cb 0.27 -0.79 -0.23 0.00 -0.00 0.00 0.00 32.58 31.83 2hca s HIS 588 CO -0.11 0.07 0.85 -0.07 -0.00 0.00 0.00 174.74 175.47 2hca h LEU 589 N 2.60 0.06 -7.00 5.38 3.38 -1.61 -3.43 115.31 114.68 2hca h LEU 589 Ca -0.38 -0.10 0.25 0.00 0.09 0.00 0.00 57.88 57.75 2hca h LEU 589 Cb 1.21 -0.02 -0.20 0.00 0.09 0.00 0.00 40.66 41.74 2hca h LEU 589 CO 0.64 1.08 0.83 0.00 0.09 0.00 0.00 178.44 181.08 2hca s ALA 590 N -2.63 -2.08 -0.11 1.53 0.00 -1.25 -5.04 121.76 112.18 2hca s ALA 590 Ca -0.04 1.65 -0.13 0.00 0.00 0.00 0.00 51.96 53.45 2hca s ALA 590 Cb 0.08 -0.28 -0.05 0.00 0.00 0.00 0.00 23.12 22.88 2hca s ALA 590 CO 0.82 -0.55 0.29 0.54 0.00 0.00 0.00 175.76 176.86 2hca s VAL 591 N -2.22 5.28 -0.10 0.00 0.11 -1.26 -1.57 120.40 120.64 2hca s VAL 591 Ca 0.09 0.55 0.00 0.00 -2.93 0.00 0.00 61.98 59.69 2hca s VAL 591 Cb -0.01 -3.60 -0.02 0.00 -1.53 0.00 0.00 36.38 31.21 2hca s VAL 591 CO -0.04 0.49 -0.09 0.00 -3.33 0.00 0.00 175.10 172.12 2hca s ALA 592 N -0.25 2.84 0.24 1.54 0.00 0.41 -4.85 121.76 121.70 2hca s ALA 592 Ca 0.18 -0.89 -0.31 0.00 0.00 0.00 0.00 51.96 50.95 2hca s ALA 592 Cb -0.14 -1.25 -0.10 0.00 0.00 0.00 0.00 23.12 21.62 2hca s ALA 592 CO 0.06 0.41 1.53 -1.25 0.00 0.00 0.00 175.76 176.51 2hca s PRO 593 N -0.24 4.21 0.47 0.00 0.04 -1.26 0.25 135.00 138.47 2hca s PRO 593 Ca 0.03 2.41 -0.22 0.00 0.04 0.00 0.00 61.00 63.26 2hca s PRO 593 Cb -0.13 -3.10 -0.10 0.00 0.04 0.00 0.00 34.50 31.21 2hca s PRO 593 CO 0.03 -0.54 0.72 0.09 0.04 0.00 0.00 177.00 177.33 2hca n ASN 594 N 2.83 -0.12 -4.77 6.66 3.02 -1.26 -4.39 115.26 117.23 2hca n ASN 594 Ca 0.10 0.90 -0.41 0.00 -0.03 0.00 0.00 54.58 55.14 2hca n ASN 594 Cb 0.39 -1.23 0.00 0.00 -0.61 0.00 0.00 39.78 38.34 2hca n ASN 594 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 2hca s HIS 595 N -1.47 2.55 0.03 3.10 3.76 -1.26 -4.62 115.29 117.37 2hca s HIS 595 Ca 0.66 1.21 0.00 0.00 -0.15 0.00 0.00 55.06 56.77 2hca s HIS 595 Cb -0.53 -3.98 -0.02 0.00 1.11 0.00 0.00 32.58 29.15 2hca s HIS 595 CO 0.56 -2.95 -0.03 0.00 -0.85 0.00 0.00 174.74 171.46 2hca s ALA 596 N -1.15 0.25 0.18 -1.40 0.00 -0.55 -1.48 121.76 117.60 2hca s ALA 596 Ca 0.56 -0.74 -0.31 0.00 0.00 0.00 0.00 51.96 51.47 2hca s ALA 596 Cb -0.45 0.16 -0.09 0.00 0.00 0.00 0.00 23.12 22.74 2hca s ALA 596 CO 0.61 -0.19 1.40 0.08 0.00 0.00 0.00 175.76 177.66 2hca s VAL 597 N -1.96 3.03 0.25 0.00 1.01 -0.57 -0.52 120.40 121.63 2hca s VAL 597 Ca -0.11 0.79 0.12 0.00 0.00 0.00 0.00 61.98 62.78 2hca s VAL 597 Cb -0.06 -3.51 -0.05 0.00 0.00 0.00 0.00 36.38 32.76 2hca s VAL 597 CO -0.03 0.09 -0.21 0.68 0.00 0.00 0.00 175.10 175.63 2hca s VAL 598 N 0.57 2.41 0.24 2.92 -7.23 0.58 -0.72 120.40 119.17 2hca s VAL 598 Ca 0.62 -2.28 -0.13 0.00 -1.81 0.00 0.00 61.98 58.38 2hca s VAL 598 Cb -0.39 -2.23 -0.00 0.00 0.56 0.00 0.00 36.38 34.32 2hca s VAL 598 CO 0.36 -0.31 0.48 -0.94 -0.31 0.00 0.00 175.10 174.37 2hca s SER 599 N -3.22 -0.11 0.53 4.85 1.04 -0.58 -2.91 113.70 113.30 2hca s SER 599 Ca 0.27 -0.86 -0.22 0.00 0.48 0.00 0.00 55.95 55.62 2hca s SER 599 Cb -0.06 0.58 -0.05 0.00 0.10 0.00 0.00 66.02 66.59 2hca s SER 599 CO 0.13 -1.12 1.32 -0.13 0.98 0.00 0.00 173.24 174.41 2hca s ARG 600 N -3.99 3.26 0.30 4.02 0.52 -1.26 0.04 118.95 121.83 2hca s ARG 600 Ca 0.20 2.14 0.09 0.00 -0.52 0.00 0.00 55.73 57.64 2hca s ARG 600 Cb -0.01 -2.28 0.45 0.00 0.52 0.00 0.00 34.95 33.64 2hca s ARG 600 CO 0.07 -1.07 1.68 0.66 0.02 0.00 0.00 175.30 176.66 2hca h SER 601 N 1.56 0.12 0.34 0.23 4.64 -1.91 -0.98 113.55 117.55 2hca h SER 601 Ca -0.51 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 60.76 2hca h SER 601 Cb 1.29 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 2hca h SER 601 CO 0.58 0.60 0.00 -0.90 -0.87 0.00 0.00 176.83 176.23 2hca n ASP 602 N -3.95 0.00 -0.00 4.97 5.75 -1.26 -2.95 116.55 119.10 2hca n ASP 602 Ca -0.02 0.50 0.04 0.00 -0.01 0.00 0.00 54.79 55.30 2hca n ASP 602 Cb 0.52 -0.50 -0.05 0.00 -1.03 0.00 0.00 41.12 40.06 2hca n ASP 602 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2hca n ARG 603 N -1.50 1.34 -0.28 0.11 5.12 -0.49 -4.80 116.66 116.16 2hca n ARG 603 Ca 0.02 -0.05 0.10 0.00 -1.93 0.00 0.00 57.85 55.99 2hca n ARG 603 Cb 0.12 -1.09 0.25 0.00 -1.16 0.00 0.00 32.46 30.58 2hca n ARG 603 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2hca h ALA 604 N 0.76 1.23 -0.94 7.54 0.00 -1.12 0.18 119.26 126.90 2hca h ALA 604 Ca 0.00 0.17 0.09 0.00 0.00 0.00 0.00 54.91 55.17 2hca h ALA 604 Cb 0.29 0.19 -0.08 0.00 0.00 0.00 0.00 17.79 18.20 2hca h ALA 604 CO 0.00 -0.34 0.59 0.00 0.00 0.00 0.00 179.25 179.50 2hca h ALA 605 N 1.67 1.37 0.00 0.00 0.00 -1.87 0.12 119.26 120.55 2hca h ALA 605 Ca 0.50 0.01 -0.24 0.00 0.00 0.00 0.00 54.91 55.18 2hca h ALA 605 Cb 0.91 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 2hca h ALA 605 CO -0.53 0.25 -1.36 0.45 0.00 0.00 0.00 179.25 178.06 2hca h HIS 606 N 0.99 0.00 -0.60 0.00 -0.00 -1.11 -2.86 115.15 111.57 2hca h HIS 606 Ca 0.44 0.00 -0.07 0.00 -0.00 0.00 0.00 60.37 60.75 2hca h HIS 606 Cb 0.35 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 27.73 2hca h HIS 606 CO -0.02 0.92 0.11 0.28 -0.00 0.00 0.00 177.93 179.22 2hca h VAL 607 N 0.00 1.26 -0.07 2.45 2.07 -0.60 -2.96 116.25 118.40 2hca h VAL 607 Ca -0.16 -0.98 -0.00 0.00 0.82 0.00 0.00 66.70 66.38 2hca h VAL 607 Cb 1.85 0.73 -0.00 0.00 -1.52 0.00 0.00 31.29 32.34 2hca h VAL 607 CO 0.09 0.36 0.03 -0.08 0.02 0.00 0.00 177.57 178.00 2hca h GLU 608 N 0.89 0.11 -0.30 1.57 4.81 -0.81 -2.76 114.58 118.09 2hca h GLU 608 Ca 0.18 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.42 2hca h GLU 608 Cb 0.41 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.74 2hca h GLU 608 CO 0.01 0.20 0.14 0.37 -0.73 0.00 0.00 179.01 179.00 2hca h GLN 609 N -0.02 0.29 -0.36 1.92 4.15 -1.54 -2.45 115.11 117.10 2hca h GLN 609 Ca 0.02 -0.02 -0.08 0.00 0.77 0.00 0.00 58.65 59.35 2hca h GLN 609 Cb 0.13 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.74 2hca h GLN 609 CO -0.00 0.19 -0.11 0.28 -1.93 0.00 0.00 178.83 177.26 2hca h VAL 610 N 0.30 1.24 -0.04 2.39 2.07 -1.55 -3.00 116.25 117.67 2hca h VAL 610 Ca 0.12 -1.07 -0.23 0.00 0.82 0.00 0.00 66.70 66.34 2hca h VAL 610 Cb 0.05 1.09 0.01 0.00 -1.52 0.00 0.00 31.29 30.91 2hca h VAL 610 CO -0.09 0.36 -0.92 -0.07 0.02 0.00 0.00 177.57 176.87 2hca h LEU 611 N 0.57 0.72 -0.29 2.57 4.07 -1.36 0.19 115.31 121.78 2hca h LEU 611 Ca 0.10 -0.54 0.00 0.00 0.08 0.00 0.00 57.88 57.52 2hca h LEU 611 Cb 0.52 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 42.03 2hca h LEU 611 CO 0.03 1.33 0.19 -0.07 -1.08 0.00 0.00 178.44 178.84 2hca h LEU 612 N 0.34 0.34 0.45 1.67 3.38 -1.43 0.23 115.31 120.29 2hca h LEU 612 Ca -0.08 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 2hca h LEU 612 Cb 1.55 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 42.19 2hca h LEU 612 CO 0.17 0.26 -0.42 -0.74 0.09 0.00 0.00 178.44 177.80 2hca h HIS 613 N 0.38 -1.14 -1.02 1.13 2.76 -1.55 -2.50 115.15 113.21 2hca h HIS 613 Ca 0.11 0.01 0.25 0.00 -2.20 0.00 0.00 60.37 58.53 2hca h HIS 613 Cb -0.03 0.44 -0.12 0.00 1.55 0.00 0.00 27.41 29.25 2hca h HIS 613 CO -0.05 -0.58 0.61 1.96 -1.30 0.00 0.00 177.93 178.57 2hca h GLN 614 N -0.88 0.52 0.00 5.26 1.08 -0.65 -1.21 115.11 119.24 2hca h GLN 614 Ca -0.04 -0.03 -0.10 0.00 -1.45 0.00 0.00 58.65 57.02 2hca h GLN 614 Cb 0.77 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 28.06 2hca h GLN 614 CO -0.04 0.34 -0.50 -0.56 -0.95 0.00 0.00 178.83 177.12 2hca h GLN 615 N 0.53 0.00 -0.02 1.46 3.07 -0.85 -0.82 115.11 118.48 2hca h GLN 615 Ca 0.64 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 59.36 2hca h GLN 615 Cb 1.31 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.87 2hca h GLN 615 CO -0.44 0.50 -0.08 0.00 0.09 0.00 0.00 178.83 178.90 2hca h ALA 616 N 1.50 1.83 0.10 0.06 0.00 -0.76 0.19 119.26 122.18 2hca h ALA 616 Ca -0.00 -0.09 -0.31 0.00 0.00 0.00 0.00 54.91 54.51 2hca h ALA 616 Cb 1.30 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 2hca h ALA 616 CO 0.06 0.13 -1.63 -0.07 0.00 0.00 0.00 179.25 177.75 2hca h LEU 617 N 0.03 0.33 -2.53 0.00 3.38 -1.27 -0.59 115.31 114.67 2hca h LEU 617 Ca 0.01 -0.83 0.00 0.00 0.09 0.00 0.00 57.88 57.15 2hca h LEU 617 Cb 0.16 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2hca h LEU 617 CO 0.01 1.70 0.00 0.49 0.09 0.00 0.00 178.44 180.73 2hca n PHE 618 N -3.84 0.00 -0.51 1.13 3.72 -0.34 0.14 117.46 117.77 2hca n PHE 618 Ca -0.29 -0.38 0.00 0.00 -0.05 0.00 0.00 57.45 56.73 2hca n PHE 618 Cb 0.92 -0.04 0.00 0.00 -0.94 0.00 0.00 39.48 39.43 2hca n PHE 618 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2hca n GLY 619 N -0.38 -0.98 0.31 1.37 0.00 0.66 -1.09 105.19 105.07 2hca n GLY 619 Ca 0.00 -1.64 0.01 0.00 0.00 0.00 0.00 46.02 44.39 2hca n GLY 619 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2hca h LYS 620 N 0.00 0.83 -0.23 1.61 3.64 -1.81 -1.97 116.57 118.65 2hca h LYS 620 Ca 0.00 -0.05 -0.13 0.00 -1.27 0.00 0.00 60.65 59.20 2hca h LYS 620 Cb 0.00 -0.19 -0.08 0.00 -0.41 0.00 0.00 32.23 31.55 2hca h LYS 620 CO 0.00 0.55 -0.32 0.09 -2.27 0.00 0.00 179.45 177.50 2hca n ASN 621 N -4.69 2.35 -4.81 4.20 5.03 -1.26 -4.92 115.26 111.16 2hca n ASN 621 Ca 0.12 -3.85 -0.33 0.00 0.87 0.00 0.00 54.58 51.39 2hca n ASN 621 Cb 0.22 -0.57 -0.05 0.00 -1.02 0.00 0.00 39.78 38.36 2hca n ASN 621 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 2hca s GLY 622 N -2.94 2.43 0.33 7.41 0.00 -0.74 -4.92 107.32 108.88 2hca s GLY 622 Ca 0.42 0.50 0.12 0.00 0.00 0.00 0.00 44.72 45.76 2hca s GLY 622 CO -0.03 0.80 1.68 0.50 0.00 0.00 0.00 173.10 176.04 2hca h LYS 623 N 1.65 0.37 0.00 2.90 6.56 -0.69 -2.23 116.57 125.13 2hca h LYS 623 Ca -0.49 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.08 2hca h LYS 623 Cb 1.20 -0.08 0.00 0.00 -0.57 0.00 0.00 32.23 32.78 2hca h LYS 623 CO 0.60 0.25 -0.11 0.09 -2.06 0.00 0.00 179.45 178.22 2hca n ASN 624 N -5.03 1.66 0.00 0.86 3.02 0.12 -4.88 115.26 111.02 2hca n ASN 624 Ca 0.29 -2.58 0.00 0.00 -0.03 0.00 0.00 54.58 52.27 2hca n ASN 624 Cb 0.88 -0.29 0.00 0.00 -0.61 0.00 0.00 39.78 39.76 2hca n ASN 624 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2hca h PRO 626 N 0.00 0.71 0.66 0.00 0.11 -1.82 -2.37 132.00 129.29 2hca h PRO 626 Ca 0.00 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.04 2hca h PRO 626 Cb 0.00 -0.16 0.01 0.00 0.11 0.00 0.00 31.00 30.96 2hca h PRO 626 CO 0.00 0.47 -0.32 -0.44 -0.21 0.00 0.00 178.00 177.50 2hca h ASP 627 N 0.73 -0.75 0.00 -2.05 3.32 -1.92 -3.43 116.42 112.32 2hca h ASP 627 Ca 0.31 0.03 -0.29 0.00 0.02 0.00 0.00 57.03 57.10 2hca h ASP 627 Cb 0.19 0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.89 2hca h ASP 627 CO -0.18 -0.46 -1.93 0.29 -1.72 0.00 0.00 179.24 175.24 2hca n LYS 628 N -4.80 0.54 -3.65 3.56 5.02 -0.51 -5.07 118.16 113.24 2hca n LYS 628 Ca -0.11 0.23 -0.11 0.00 -2.02 0.00 0.00 58.31 56.29 2hca n LYS 628 Cb 0.35 -1.42 -0.08 0.00 -0.02 0.00 0.00 35.03 33.87 2hca n LYS 628 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 2hca s PHE 629 N -2.62 -0.82 -0.16 2.13 5.36 -0.02 -5.02 117.98 116.84 2hca s PHE 629 Ca -0.34 1.83 0.01 0.00 -0.96 0.00 0.00 56.93 57.48 2hca s PHE 629 Cb 0.10 0.37 0.01 0.00 -0.34 0.00 0.00 43.02 43.16 2hca s PHE 629 CO 0.44 -0.40 -0.19 0.00 -1.46 0.00 0.00 175.22 173.61 2hca h LEU 631 N 7.53 0.00 -3.25 0.00 6.46 -1.44 -3.23 115.31 121.37 2hca h LEU 631 Ca -0.37 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.39 2hca h LEU 631 Cb 1.17 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.10 2hca h LEU 631 CO 0.58 0.10 0.00 0.49 -0.62 0.00 0.00 178.44 179.00 2hca n PHE 632 N -3.32 0.94 -4.38 1.25 3.72 -1.26 -4.68 117.46 109.72 2hca n PHE 632 Ca -0.00 -0.88 -0.22 0.00 -0.05 0.00 0.00 57.45 56.30 2hca n PHE 632 Cb 0.31 -0.31 -0.16 0.00 -0.94 0.00 0.00 39.48 38.38 2hca n PHE 632 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 2hca s LYS 633 N -2.81 1.16 0.00 -1.08 3.01 -1.22 -4.37 119.74 114.43 2hca s LYS 633 Ca 0.42 -0.27 0.00 0.00 -1.01 0.00 0.00 55.97 55.11 2hca s LYS 633 Cb 0.34 -1.04 0.00 0.00 -1.01 0.00 0.00 37.83 36.12 2hca s LYS 633 CO 0.09 0.02 0.57 -1.13 0.51 0.00 0.00 175.35 175.41 2hca n SER 634 N 3.72 0.00 -2.72 2.83 3.41 -1.26 -4.89 113.62 114.72 2hca n SER 634 Ca -0.22 -1.32 -0.04 0.00 -0.26 0.00 0.00 58.87 57.03 2hca n SER 634 Cb 0.52 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 2hca n SER 634 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2hca n GLU 635 N 0.00 -1.59 -1.49 4.33 1.02 -1.26 -3.72 120.64 117.92 2hca n GLU 635 Ca 0.00 1.62 -0.15 0.00 -0.02 0.00 0.00 57.16 58.62 2hca n GLU 635 Cb 0.56 -5.05 -0.06 0.00 -0.02 0.00 0.00 31.44 26.87 2hca n GLU 635 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 2hca n THR 636 N -0.94 -0.04 0.23 2.62 5.66 -1.26 -4.81 114.28 115.73 2hca n THR 636 Ca 0.05 0.00 0.03 0.00 -3.05 0.00 0.00 64.05 61.08 2hca n THR 636 Cb 0.44 -1.46 0.02 0.00 -1.55 0.00 0.00 70.33 67.79 2hca n THR 636 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2hca n LYS 637 N -2.03 -0.14 -4.32 1.09 5.02 -1.24 -4.82 118.16 111.71 2hca n LYS 637 Ca -0.15 -0.86 -0.34 0.00 -2.02 0.00 0.00 58.31 54.94 2hca n LYS 637 Cb 0.50 -1.11 -0.08 0.00 -0.02 0.00 0.00 35.03 34.32 2hca n LYS 637 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2hca n ASN 638 N 0.31 -0.21 -4.70 4.39 5.03 -1.26 -4.89 115.26 113.93 2hca n ASN 638 Ca 0.03 -1.22 -0.40 0.00 0.87 0.00 0.00 54.58 53.86 2hca n ASN 638 Cb 0.15 -1.87 -0.05 0.00 -1.02 0.00 0.00 39.78 36.99 2hca n ASN 638 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2hca s LEU 639 N -7.29 4.27 0.00 3.41 1.43 -1.26 -4.18 118.68 115.06 2hca s LEU 639 Ca 0.26 1.18 0.00 0.00 -1.03 0.00 0.00 54.13 54.54 2hca s LEU 639 Cb -0.15 -3.13 0.00 0.00 0.03 0.00 0.00 46.19 42.94 2hca s LEU 639 CO 0.99 -0.21 0.00 0.18 0.23 0.00 0.00 176.35 177.54 2hca n LEU 640 N 4.25 0.00 -3.81 1.79 4.77 -1.26 -4.74 117.00 118.00 2hca n LEU 640 Ca 0.01 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.86 2hca n LEU 640 Cb 0.51 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.50 2hca n LEU 640 CO 0.47 0.00 -0.07 -0.36 -1.33 0.00 0.00 177.39 176.11 2hca s PHE 641 N 0.00 -0.10 0.31 -1.77 0.08 -1.26 -4.56 117.98 110.68 2hca s PHE 641 Ca 0.00 0.16 -0.29 0.00 0.12 0.00 0.00 56.93 56.91 2hca s PHE 641 Cb 0.00 0.04 -0.11 0.00 -0.57 0.00 0.00 43.02 42.38 2hca s PHE 641 CO 0.00 -0.32 1.52 -0.80 -0.10 0.00 0.00 175.22 175.52 2hca s ASN 642 N -1.18 6.43 0.29 1.36 0.01 -1.26 -4.41 114.94 116.18 2hca s ASN 642 Ca -0.12 2.92 0.20 0.00 -0.71 0.00 0.00 52.86 55.14 2hca s ASN 642 Cb -0.06 -2.64 1.06 0.00 0.41 0.00 0.00 41.25 40.02 2hca s ASN 642 CO 0.03 -0.84 1.61 0.47 -1.51 0.00 0.00 177.10 176.85 2hca n ASP 643 N 1.60 0.52 -0.48 -1.22 8.00 -1.26 -1.75 116.55 121.96 2hca n ASP 643 Ca 0.05 0.73 0.14 0.00 0.71 0.00 0.00 54.79 56.42 2hca n ASP 643 Cb 0.39 -0.80 0.47 0.00 -0.02 0.00 0.00 41.12 41.15 2hca n ASP 643 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2hca n ASN 644 N -2.19 1.53 -4.67 -2.24 6.94 -1.26 -4.77 115.26 108.59 2hca n ASN 644 Ca -0.01 -1.44 -0.42 0.00 -0.02 0.00 0.00 54.58 52.69 2hca n ASN 644 Cb 0.05 0.02 -0.03 0.00 -2.36 0.00 0.00 39.78 37.46 2hca n ASN 644 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 2hca s THR 645 N -2.08 3.26 -0.06 5.53 2.01 -0.72 -4.24 115.64 119.34 2hca s THR 645 Ca 0.35 0.47 -0.24 0.00 0.31 0.00 0.00 61.69 62.57 2hca s THR 645 Cb 0.21 -3.30 -0.25 0.00 0.01 0.00 0.00 72.50 69.16 2hca s THR 645 CO 0.36 -0.03 0.96 -0.08 -0.69 0.00 0.00 174.62 175.15 2hca h GLU 646 N 9.36 0.18 -2.79 4.92 4.81 0.65 -3.46 114.58 128.26 2hca h GLU 646 Ca -0.43 -0.23 0.05 0.00 -0.13 0.00 0.00 59.36 58.62 2hca h GLU 646 Cb 1.20 0.07 -0.10 0.00 0.63 0.00 0.00 28.75 30.55 2hca h GLU 646 CO 0.94 1.01 0.30 0.00 -0.73 0.00 0.00 179.01 180.53 2hca s LEU 648 N -2.76 4.53 0.05 0.00 1.43 -1.26 -1.23 118.68 119.43 2hca s LEU 648 Ca 0.06 1.71 0.09 0.00 -1.03 0.00 0.00 54.13 54.95 2hca s LEU 648 Cb -0.02 -3.52 -0.03 0.00 0.03 0.00 0.00 46.19 42.64 2hca s LEU 648 CO -0.05 0.13 -0.25 0.00 0.23 0.00 0.00 176.35 176.40 2hca s ALA 649 N -1.29 2.16 0.89 4.21 0.00 0.22 -4.61 121.76 123.34 2hca s ALA 649 Ca 0.40 -1.25 -0.12 0.00 0.00 0.00 0.00 51.96 51.00 2hca s ALA 649 Cb -0.22 -0.44 0.11 0.00 0.00 0.00 0.00 23.12 22.57 2hca s ALA 649 CO 0.26 0.51 1.04 1.63 0.00 0.00 0.00 175.76 179.20 2hca n LYS 650 N 1.71 -0.23 -0.12 0.00 5.02 -0.07 -1.84 118.16 122.63 2hca n LYS 650 Ca -0.17 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 55.86 2hca n LYS 650 Cb 0.52 -2.31 -0.11 0.00 -0.02 0.00 0.00 35.03 33.12 2hca n LYS 650 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2hca n LEU 651 N -3.45 1.98 -1.40 -0.35 4.77 -1.26 -4.82 117.00 112.48 2hca n LEU 651 Ca 0.12 0.35 0.00 0.00 -0.03 0.00 0.00 56.01 56.45 2hca n LEU 651 Cb 0.52 -0.90 0.00 0.00 -2.33 0.00 0.00 43.42 40.71 2hca n LEU 651 CO 0.49 0.48 -0.30 0.61 -1.33 0.00 0.00 177.39 177.34 2hca n GLY 652 N 1.40 -4.66 0.79 -0.72 0.00 -1.26 -4.79 105.19 95.95 2hca n GLY 652 Ca -0.44 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.10 2hca n GLY 652 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hca n GLY 653 N 0.93 0.79 2.50 -0.02 0.00 -1.26 -4.63 105.19 103.50 2hca n GLY 653 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2hca n GLY 653 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hca n ARG 654 N -2.40 -0.57 -2.58 1.61 1.74 -1.26 -4.70 116.66 108.49 2hca n ARG 654 Ca 0.00 -0.28 -0.36 0.00 -0.77 0.00 0.00 57.85 56.44 2hca n ARG 654 Cb 0.00 0.51 -0.04 0.00 -1.02 0.00 0.00 32.46 31.91 2hca n ARG 654 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2hca s PRO 655 N -3.09 4.17 0.96 5.56 0.04 -1.26 -5.06 135.00 136.32 2hca s PRO 655 Ca 0.00 1.46 -0.14 0.00 0.04 0.00 0.00 61.00 62.36 2hca s PRO 655 Cb 0.00 -2.49 0.17 0.00 0.04 0.00 0.00 34.50 32.21 2hca s PRO 655 CO 0.00 -0.13 1.16 0.95 0.04 0.00 0.00 177.00 179.02 2hca s THR 656 N -1.72 1.95 0.24 1.26 -4.23 -1.26 -4.75 115.64 107.12 2hca s THR 656 Ca 0.58 0.00 -0.04 0.00 -1.18 0.00 0.00 61.69 61.05 2hca s THR 656 Cb -0.20 -2.75 0.12 0.00 1.34 0.00 0.00 72.50 71.01 2hca s THR 656 CO 0.25 0.00 1.75 0.10 -0.54 0.00 0.00 174.62 176.19 2hca h TYR 657 N -1.66 0.97 -0.40 3.99 -0.00 -1.96 0.27 116.97 118.19 2hca h TYR 657 Ca -0.49 -0.12 -0.06 0.00 0.00 0.00 0.00 58.73 58.06 2hca h TYR 657 Cb 1.31 -0.27 -0.01 0.00 0.00 0.00 0.00 36.73 37.76 2hca h TYR 657 CO -0.22 0.84 0.01 0.93 -0.00 0.00 0.00 178.16 179.72 2hca h GLU 658 N 0.87 0.71 -0.61 0.10 5.08 -1.96 -1.19 114.58 117.58 2hca h GLU 658 Ca 0.18 -0.22 -0.10 0.00 -1.00 0.00 0.00 59.36 58.22 2hca h GLU 658 Cb 0.40 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 2hca h GLU 658 CO 0.01 0.79 -0.00 0.93 -1.00 0.00 0.00 179.01 179.74 2hca h GLU 659 N 0.54 1.09 -0.34 2.33 5.08 -1.87 0.16 114.58 121.57 2hca h GLU 659 Ca 0.12 -0.35 -0.00 0.00 -1.00 0.00 0.00 59.36 58.13 2hca h GLU 659 Cb 0.47 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 2hca h GLU 659 CO 0.02 1.06 0.21 -0.92 -1.00 0.00 0.00 179.01 178.37 2hca h TYR 660 N 0.99 0.44 0.00 4.33 3.20 -0.24 -2.92 116.97 122.78 2hca h TYR 660 Ca 0.17 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.00 2hca h TYR 660 Cb 0.57 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.68 2hca h TYR 660 CO 0.04 0.32 -0.25 -0.07 -1.64 0.00 0.00 178.16 176.56 2hca h LEU 661 N 0.44 0.00 0.00 2.82 3.38 -1.15 -3.48 115.31 117.32 2hca h LEU 661 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2hca h LEU 661 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2hca h LEU 661 CO -0.02 0.23 0.00 0.61 0.09 0.00 0.00 178.44 179.35 2hca n GLY 662 N 1.16 -2.91 0.49 0.83 0.00 0.55 -4.18 105.19 101.14 2hca n GLY 662 Ca 0.03 -1.15 0.31 0.00 0.00 0.00 0.00 46.02 45.21 2hca n GLY 662 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2hca h THR 663 N 0.00 0.48 0.30 2.61 1.35 -1.88 -0.92 112.91 114.85 2hca h THR 663 Ca 0.00 -0.02 -0.01 0.00 -0.55 0.00 0.00 66.41 65.83 2hca h THR 663 Cb 0.00 0.43 -0.01 0.00 -1.73 0.00 0.00 68.15 66.85 2hca h THR 663 CO 0.00 0.01 -0.23 -0.08 -0.25 0.00 0.00 175.52 174.97 2hca h GLU 664 N 0.05 -0.49 -0.52 4.72 4.81 -1.94 -2.85 114.58 118.35 2hca h GLU 664 Ca 0.51 0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.70 2hca h GLU 664 Cb 1.95 0.11 -0.02 0.00 0.63 0.00 0.00 28.75 31.41 2hca h GLU 664 CO -0.04 -0.32 0.05 -0.92 -0.73 0.00 0.00 179.01 177.05 2hca h TYR 665 N -0.50 0.89 -0.08 0.92 3.20 -1.53 -2.68 116.97 117.20 2hca h TYR 665 Ca -0.04 -0.11 -0.03 0.00 3.14 0.00 0.00 58.73 61.69 2hca h TYR 665 Cb 0.42 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 2hca h TYR 665 CO -0.07 0.79 -0.10 0.28 -1.64 0.00 0.00 178.16 177.42 2hca h VAL 666 N 0.80 1.12 -0.11 1.81 2.07 -1.25 -1.45 116.25 119.25 2hca h VAL 666 Ca 0.16 -0.54 -0.17 0.00 0.82 0.00 0.00 66.70 66.97 2hca h VAL 666 Cb 0.40 1.18 0.01 0.00 -1.52 0.00 0.00 31.29 31.36 2hca h VAL 666 CO 0.01 0.16 -0.61 0.71 0.02 0.00 0.00 177.57 177.87 2hca h THR 667 N 0.11 1.34 -0.49 2.57 1.35 -1.23 -2.87 112.91 113.70 2hca h THR 667 Ca 0.03 -1.90 0.10 0.00 -0.55 0.00 0.00 66.41 64.08 2hca h THR 667 Cb 0.26 2.17 -0.10 0.00 -1.73 0.00 0.00 68.15 68.75 2hca h THR 667 CO 0.01 0.58 -0.24 0.00 -0.25 0.00 0.00 175.52 175.62 2hca h ALA 668 N 0.48 0.08 0.04 6.62 0.00 -0.99 -1.09 119.26 124.41 2hca h ALA 668 Ca -0.05 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2hca h ALA 668 Cb 1.25 0.59 0.00 0.00 0.00 0.00 0.00 17.79 19.63 2hca h ALA 668 CO 0.12 -0.59 -0.02 0.82 0.00 0.00 0.00 179.25 179.59 2hca h ILE 669 N -0.13 1.11 -0.88 0.00 2.04 -1.54 -2.58 117.51 115.53 2hca h ILE 669 Ca 0.22 -0.50 0.13 0.00 1.00 0.00 0.00 64.86 65.71 2hca h ILE 669 Cb 0.49 1.45 -0.09 0.00 -0.74 0.00 0.00 36.82 37.93 2hca h ILE 669 CO -0.57 0.13 0.49 0.00 0.00 0.00 0.00 178.15 178.20 2hca h ALA 670 N 0.66 1.32 -0.64 1.87 0.00 -1.22 0.13 119.26 121.38 2hca h ALA 670 Ca -0.01 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2hca h ALA 670 Cb 0.25 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 2hca h ALA 670 CO 0.01 0.02 0.32 -0.91 0.00 0.00 0.00 179.25 178.69 2hca h ASN 671 N 0.74 0.83 0.58 0.00 2.35 -1.19 -2.90 115.58 115.99 2hca h ASN 671 Ca 0.46 -0.12 -0.11 0.00 -0.55 0.00 0.00 56.30 55.99 2hca h ASN 671 Cb 0.57 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.71 2hca h ASN 671 CO -0.32 0.71 -0.50 0.25 -1.65 0.00 0.00 177.43 175.92 2hca h LEU 672 N 0.88 0.00 -0.08 1.61 5.85 -0.77 -2.87 115.31 119.94 2hca h LEU 672 Ca 0.22 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.94 2hca h LEU 672 Cb 0.09 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.12 2hca h LEU 672 CO -0.03 0.50 0.00 0.29 -0.34 0.00 0.00 178.44 178.86 2hca n LYS 673 N -3.84 0.21 0.10 1.25 4.76 0.32 -2.15 118.16 118.82 2hca n LYS 673 Ca -0.01 0.21 0.08 0.00 -2.87 0.00 0.00 58.31 55.72 2hca n LYS 673 Cb 0.53 -1.76 0.56 0.00 -1.84 0.00 0.00 35.03 32.51 2hca n LYS 673 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 2hca h LYS 674 N 0.00 0.23 -0.02 1.97 1.79 -1.30 -3.24 116.57 116.00 2hca h LYS 674 Ca 0.00 -0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.44 2hca h LYS 674 Cb 0.65 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.25 2hca h LYS 674 CO 0.00 0.15 -0.05 0.00 -1.08 0.00 0.00 179.45 178.47 2hca h SER 676 N -0.53 -0.46 0.00 0.00 0.02 -1.65 -3.50 113.55 107.43 2hca h SER 676 Ca -0.00 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 2hca h SER 676 Cb 0.68 0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.34 2hca h SER 676 CO 0.01 -0.15 0.00 0.18 -1.14 0.00 0.00 176.83 175.73 2hca n LEU 681 N -5.23 0.07 -4.09 5.07 4.32 -1.26 -5.16 117.00 110.72 2hca n LEU 681 Ca -0.10 -0.11 -0.31 0.00 -0.02 0.00 0.00 56.01 55.47 2hca n LEU 681 Cb 0.28 0.00 -0.16 0.00 -1.62 0.00 0.00 43.42 41.92 2hca n LEU 681 CO 0.32 0.02 -0.51 -1.83 -1.22 0.00 0.00 177.39 174.16 2hca s GLU 682 N -0.08 2.61 0.00 3.23 -1.05 -1.26 -5.09 118.70 117.06 2hca s GLU 682 Ca 0.00 -0.69 0.00 0.00 -0.15 0.00 0.00 54.97 54.13 2hca s GLU 682 Cb 0.00 -2.22 0.00 0.00 -0.44 0.00 0.00 34.13 31.47 2hca s GLU 682 CO 0.00 -0.12 0.00 0.00 0.95 0.00 0.00 175.26 176.09 2hca n ALA 683 N 4.39 0.05 -0.76 -0.84 0.00 -1.26 -5.10 120.51 116.98 2hca n ALA 683 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2hca n ALA 683 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 2hca n ALA 683 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hca n ALA 685 N -0.09 1.93 -1.18 0.00 0.00 -1.26 -4.97 120.51 114.95 2hca n ALA 685 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2hca n ALA 685 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 2hca n ALA 685 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69