#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ays n THR 343 N 0.00 0.00 -3.38 -0.72 5.66 -1.26 -4.75 114.28 109.83 2ays n THR 343 Ca 0.00 0.00 -0.38 0.00 -3.05 0.00 0.00 64.05 60.62 2ays n THR 343 Cb 0.00 -0.26 -0.06 0.00 -1.55 0.00 0.00 70.33 68.46 2ays n THR 343 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 2ays s ARG 344 N -1.37 4.22 -0.13 1.09 3.52 -1.26 -4.94 118.95 120.07 2ays s ARG 344 Ca 0.00 0.43 -0.02 0.00 -0.13 0.00 0.00 55.73 56.01 2ays s ARG 344 Cb 0.00 -3.37 -0.02 0.00 -1.56 0.00 0.00 34.95 30.00 2ays s ARG 344 CO 0.00 0.33 -0.07 0.08 -0.81 0.00 0.00 175.30 174.83 2ays s VAL 345 N 0.06 3.61 -0.35 7.11 1.01 -0.69 -5.01 120.40 126.15 2ays s VAL 345 Ca 0.25 -0.47 -0.14 0.00 0.00 0.00 0.00 61.98 61.62 2ays s VAL 345 Cb -0.16 -2.55 -0.01 0.00 0.00 0.00 0.00 36.38 33.66 2ays s VAL 345 CO 0.11 0.52 0.31 -0.69 0.00 0.00 0.00 175.10 175.35 2ays s VAL 346 N 0.16 5.22 0.27 2.92 1.01 -1.26 -0.39 120.40 128.33 2ays s VAL 346 Ca -0.03 -0.12 -0.16 0.00 0.00 0.00 0.00 61.98 61.67 2ays s VAL 346 Cb -0.14 -3.79 -0.08 0.00 0.00 0.00 0.00 36.38 32.37 2ays s VAL 346 CO 0.03 -0.08 0.70 0.86 0.00 0.00 0.00 175.10 176.61 2ays s TRP 347 N 1.88 3.49 -0.25 5.22 -0.11 0.12 -0.26 118.94 129.02 2ays s TRP 347 Ca 0.09 1.22 -0.07 0.00 1.22 0.00 0.00 56.10 58.56 2ays s TRP 347 Cb -0.17 -2.52 -0.03 0.00 -1.50 0.00 0.00 33.47 29.26 2ays s TRP 347 CO 0.11 0.22 0.06 0.00 -4.62 0.00 0.00 176.95 172.72 2ays s ALA 349 N 1.60 3.86 -0.39 0.00 0.00 0.14 -4.77 121.76 122.21 2ays s ALA 349 Ca 0.06 -0.64 -0.12 0.00 0.00 0.00 0.00 51.96 51.26 2ays s ALA 349 Cb -0.15 -1.99 0.03 0.00 0.00 0.00 0.00 23.12 21.01 2ays s ALA 349 CO 0.03 0.58 0.23 0.08 0.00 0.00 0.00 175.76 176.68 2ays s VAL 350 N -0.90 4.74 0.00 0.00 1.01 -1.26 -1.13 120.40 122.85 2ays s VAL 350 Ca 0.14 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.29 2ays s VAL 350 Cb -0.12 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.60 2ays s VAL 350 CO 0.03 -0.27 0.00 0.61 0.00 0.00 0.00 175.10 175.47 2ays n GLY 351 N 5.04 -1.79 0.22 4.51 0.00 0.23 -4.32 105.19 109.07 2ays n GLY 351 Ca -0.11 -1.53 0.07 0.00 0.00 0.00 0.00 46.02 44.45 2ays n GLY 351 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ays h PRO 352 N 0.00 0.00 0.07 1.61 0.13 -1.93 -2.09 132.00 129.78 2ays h PRO 352 Ca 0.00 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.85 2ays h PRO 352 Cb 0.00 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.15 2ays h PRO 352 CO 0.00 0.26 -1.15 0.93 -0.23 0.00 0.00 178.00 177.80 2ays h GLU 353 N 0.00 0.61 -0.56 0.86 5.08 -1.97 -1.93 114.58 116.68 2ays h GLU 353 Ca -0.00 -0.75 -0.10 0.00 -1.00 0.00 0.00 59.36 57.51 2ays h GLU 353 Cb 0.57 0.24 -0.02 0.00 0.50 0.00 0.00 28.75 30.03 2ays h GLU 353 CO 0.03 1.33 -0.04 0.93 -1.00 0.00 0.00 179.01 180.26 2ays h GLU 354 N 0.30 0.99 -0.28 2.33 5.08 -1.73 -2.34 114.58 118.94 2ays h GLU 354 Ca -0.16 -0.32 0.04 0.00 -1.00 0.00 0.00 59.36 57.92 2ays h GLU 354 Cb 1.82 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.94 2ays h GLU 354 CO 0.22 1.00 0.06 0.37 -1.00 0.00 0.00 179.01 179.66 2ays h GLN 355 N 0.90 0.17 -0.86 2.33 4.15 -1.30 0.49 115.11 120.99 2ays h GLN 355 Ca 0.16 -0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.58 2ays h GLN 355 Cb 0.58 -0.04 -0.04 0.00 0.21 0.00 0.00 27.48 28.19 2ays h GLN 355 CO 0.03 0.11 0.57 -0.22 -1.93 0.00 0.00 178.83 177.39 2ays h LYS 356 N 0.17 1.13 -0.57 1.69 1.63 -1.20 0.34 116.57 119.75 2ays h LYS 356 Ca 0.13 -0.07 -0.10 0.00 -0.85 0.00 0.00 60.65 59.76 2ays h LYS 356 Cb 0.12 -0.25 -0.02 0.00 -0.60 0.00 0.00 32.23 31.48 2ays h LYS 356 CO -0.16 0.75 -0.03 -0.22 -3.45 0.00 0.00 179.45 176.34 2ays h LYS 357 N 1.16 1.02 -0.74 1.90 3.64 -0.98 -2.70 116.57 119.88 2ays h LYS 357 Ca 0.32 -0.33 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 2ays h LYS 357 Cb -0.13 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 31.56 2ays h LYS 357 CO -0.07 1.02 0.42 0.00 -2.27 0.00 0.00 179.45 178.55 2ays h GLN 359 N 1.01 1.09 -0.16 0.00 4.20 -0.69 0.17 115.11 120.73 2ays h GLN 359 Ca 0.26 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.91 2ays h GLN 359 Cb 0.01 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 27.54 2ays h GLN 359 CO -0.04 0.72 0.10 1.96 -0.67 0.00 0.00 178.83 180.90 2ays h GLN 360 N 1.12 0.22 -0.75 1.46 4.20 -1.18 -1.08 115.11 119.10 2ays h GLN 360 Ca 0.37 -0.02 0.03 0.00 0.06 0.00 0.00 58.65 59.10 2ays h GLN 360 Cb 0.05 -0.05 -0.05 0.00 0.30 0.00 0.00 27.48 27.74 2ays h GLN 360 CO -0.14 0.18 0.47 2.35 -0.67 0.00 0.00 178.83 181.02 2ays h TRP 361 N 0.19 0.88 0.03 2.96 7.01 -0.58 -1.34 115.95 125.11 2ays h TRP 361 Ca 0.06 0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.09 2ays h TRP 361 Cb 0.01 -0.29 -0.01 0.00 -2.10 0.00 0.00 29.16 26.77 2ays h TRP 361 CO -0.06 0.50 -0.07 1.03 -2.79 0.00 0.00 178.44 177.06 2ays h SER 362 N 0.92 -0.19 -0.28 2.65 0.87 -0.39 -0.25 113.55 116.88 2ays h SER 362 Ca 0.30 0.02 0.04 0.00 -1.23 0.00 0.00 61.79 60.93 2ays h SER 362 Cb 0.02 0.07 -0.04 0.00 -0.44 0.00 0.00 62.40 62.01 2ays h SER 362 CO -0.11 -0.10 0.04 -0.61 -0.53 0.00 0.00 176.83 175.52 2ays h GLN 363 N -0.14 0.14 0.00 2.24 4.15 -0.98 -1.78 115.11 118.74 2ays h GLN 363 Ca 0.02 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.42 2ays h GLN 363 Cb 0.15 -0.03 -0.00 0.00 0.21 0.00 0.00 27.48 27.81 2ays h GLN 363 CO -0.05 0.09 -0.03 1.96 -1.93 0.00 0.00 178.83 178.88 2ays h GLN 364 N 0.14 0.00 -0.05 1.69 1.08 -1.00 -2.72 115.11 114.25 2ays h GLN 364 Ca 0.13 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.33 2ays h GLN 364 Cb 0.15 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.58 2ays h GLN 364 CO -0.18 0.03 0.00 -1.13 -0.95 0.00 0.00 178.83 176.60 2ays n SER 365 N -3.14 1.65 -1.38 1.46 3.41 -0.13 -4.91 113.62 110.59 2ays n SER 365 Ca 0.01 -1.58 -0.13 0.00 -0.26 0.00 0.00 58.87 56.91 2ays n SER 365 Cb 0.32 -0.03 -0.01 0.00 -0.26 0.00 0.00 64.21 64.23 2ays n SER 365 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ays n GLY 366 N 1.18 0.09 2.22 5.00 0.00 -1.02 -2.17 105.19 110.48 2ays n GLY 366 Ca 0.18 -0.36 -0.02 0.00 0.00 0.00 0.00 46.02 45.82 2ays n GLY 366 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2ays n GLN 367 N -2.30 -0.46 0.23 1.61 3.00 -0.70 -4.86 117.38 113.91 2ays n GLN 367 Ca -0.15 0.33 0.10 0.00 -0.01 0.00 0.00 57.00 57.28 2ays n GLN 367 Cb 0.58 -3.84 0.56 0.00 0.00 0.00 0.00 30.24 27.55 2ays n GLN 367 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.06 176.15 2ays h ASN 368 N 0.00 0.00 -4.31 1.08 2.35 -1.68 -3.41 115.58 109.61 2ays h ASN 368 Ca -0.04 0.00 -0.67 0.00 -0.55 0.00 0.00 56.30 55.04 2ays h ASN 368 Cb 0.29 0.00 -0.31 0.00 0.05 0.00 0.00 38.32 38.35 2ays h ASN 368 CO 0.06 0.20 -0.88 -0.69 -1.65 0.00 0.00 177.43 174.47 2ays s VAL 369 N -3.90 1.96 0.32 2.81 1.01 -1.26 -1.70 120.40 119.64 2ays s VAL 369 Ca -0.01 -1.04 0.03 0.00 0.00 0.00 0.00 61.98 60.96 2ays s VAL 369 Cb 0.12 -1.64 -0.06 0.00 0.00 0.00 0.00 36.38 34.80 2ays s VAL 369 CO 0.62 0.55 0.07 -0.89 0.00 0.00 0.00 175.10 175.45 2ays s THR 370 N -0.38 1.03 -0.06 3.92 2.01 0.48 -4.33 115.64 118.30 2ays s THR 370 Ca 0.04 -2.00 0.03 0.00 0.31 0.00 0.00 61.69 60.07 2ays s THR 370 Cb -0.11 -2.72 0.00 0.00 0.01 0.00 0.00 72.50 69.68 2ays s THR 370 CO 0.01 0.00 -0.16 0.00 -0.69 0.00 0.00 174.62 173.78 2ays s ALA 372 N 0.35 2.80 0.02 0.00 0.00 0.51 -4.92 121.76 120.53 2ays s ALA 372 Ca -0.11 -1.44 0.04 0.00 0.00 0.00 0.00 51.96 50.46 2ays s ALA 372 Cb -0.14 -0.67 -0.02 0.00 0.00 0.00 0.00 23.12 22.29 2ays s ALA 372 CO 0.04 0.52 -0.13 0.99 0.00 0.00 0.00 175.76 177.18 2ays s THR 373 N -1.47 1.05 0.14 0.00 2.01 -1.26 -0.69 115.64 115.42 2ays s THR 373 Ca 0.22 -0.84 -0.00 0.00 0.31 0.00 0.00 61.69 61.37 2ays s THR 373 Cb -0.09 -0.93 -0.04 0.00 0.01 0.00 0.00 72.50 71.44 2ays s THR 373 CO 0.13 0.08 0.03 0.00 -0.69 0.00 0.00 174.62 174.18 2ays s ALA 374 N -0.68 1.01 -0.39 7.40 0.00 -0.29 -4.94 121.76 123.88 2ays s ALA 374 Ca 0.02 -1.50 0.23 0.00 0.00 0.00 0.00 51.96 50.71 2ays s ALA 374 Cb -0.07 0.74 0.24 0.00 0.00 0.00 0.00 23.12 24.03 2ays s ALA 374 CO 0.01 -0.43 1.41 0.77 0.00 0.00 0.00 175.76 177.52 2ays h SER 375 N 2.82 0.00 -5.28 0.00 0.02 -1.95 0.67 113.55 109.83 2ays h SER 375 Ca -0.36 -0.01 -0.15 0.00 -0.84 0.00 0.00 61.79 60.44 2ays h SER 375 Cb 1.20 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.59 2ays h SER 375 CO 0.61 0.00 -0.67 0.42 -1.14 0.00 0.00 176.83 176.05 2ays s THR 376 N -3.26 0.20 0.23 -2.27 -4.23 -1.26 -4.45 115.64 100.60 2ays s THR 376 Ca 0.04 -1.85 -0.06 0.00 -1.18 0.00 0.00 61.69 58.64 2ays s THR 376 Cb 0.07 -1.71 0.16 0.00 1.34 0.00 0.00 72.50 72.36 2ays s THR 376 CO 0.71 -0.80 1.79 0.74 -0.54 0.00 0.00 174.62 176.52 2ays h THR 377 N 3.04 1.25 -0.78 3.99 2.02 -1.90 -2.31 112.91 118.22 2ays h THR 377 Ca -0.34 -0.82 0.03 0.00 0.77 0.00 0.00 66.41 66.04 2ays h THR 377 Cb 1.16 0.39 -0.05 0.00 -1.74 0.00 0.00 68.15 67.91 2ays h THR 377 CO 0.64 0.33 0.50 0.44 0.37 0.00 0.00 175.52 177.80 2ays h ASP 378 N 1.08 0.83 -0.22 4.18 3.32 -1.96 -1.72 116.42 121.93 2ays h ASP 378 Ca 0.25 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.21 2ays h ASP 378 Cb 0.23 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 2ays h ASP 378 CO -0.02 0.58 -0.10 0.44 -1.72 0.00 0.00 179.24 178.42 2ays h ASP 379 N 0.98 0.58 -0.78 6.45 3.32 -1.87 -2.37 116.42 122.73 2ays h ASP 379 Ca 0.31 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.21 2ays h ASP 379 Cb -0.01 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.35 2ays h ASP 379 CO -0.11 0.71 0.49 0.00 -1.72 0.00 0.00 179.24 178.62 2ays h ILE 381 N 1.07 1.27 -0.64 0.00 2.04 -0.98 0.25 117.51 120.52 2ays h ILE 381 Ca 0.28 -1.18 -0.04 0.00 1.00 0.00 0.00 64.86 64.93 2ays h ILE 381 Cb -0.07 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 36.92 2ays h ILE 381 CO -0.06 0.42 0.24 0.58 0.00 0.00 0.00 178.15 179.33 2ays h VAL 382 N 0.86 1.24 -0.90 1.67 2.07 -1.17 -0.24 116.25 119.78 2ays h VAL 382 Ca 0.15 -0.77 0.01 0.00 0.82 0.00 0.00 66.70 66.90 2ays h VAL 382 Cb 0.59 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 2ays h VAL 382 CO 0.04 0.30 0.60 -0.07 0.02 0.00 0.00 177.57 178.46 2ays h LEU 383 N 0.90 1.03 -0.41 2.57 3.38 -0.46 -1.01 115.31 121.31 2ays h LEU 383 Ca 0.21 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 58.08 2ays h LEU 383 Cb 0.23 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 2ays h LEU 383 CO -0.01 0.75 -0.02 0.58 0.09 0.00 0.00 178.44 179.83 2ays h VAL 384 N 1.22 1.26 -0.99 1.22 2.07 -0.49 -0.20 116.25 120.34 2ays h VAL 384 Ca 0.33 -1.05 0.02 0.00 0.82 0.00 0.00 66.70 66.82 2ays h VAL 384 Cb -0.14 1.12 -0.05 0.00 -1.52 0.00 0.00 31.29 30.70 2ays h VAL 384 CO -0.07 0.36 0.66 -0.07 0.02 0.00 0.00 177.57 178.46 2ays h LEU 385 N 0.57 1.12 -0.41 2.57 3.38 -0.54 -1.36 115.31 120.63 2ays h LEU 385 Ca 0.11 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2ays h LEU 385 Cb 0.51 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.99 2ays h LEU 385 CO 0.02 0.79 0.00 0.29 0.09 0.00 0.00 178.44 179.64 2ays n LYS 386 N -4.41 0.14 -0.88 1.13 5.02 -0.43 -4.87 118.16 113.85 2ays n LYS 386 Ca 0.12 0.34 0.00 0.00 -2.02 0.00 0.00 58.31 56.75 2ays n LYS 386 Cb 0.04 -1.74 0.00 0.00 -0.02 0.00 0.00 35.03 33.31 2ays n LYS 386 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ays n GLY 387 N 0.17 0.53 0.10 0.72 0.00 -0.51 -4.93 105.19 101.26 2ays n GLY 387 Ca 0.03 -0.27 0.12 0.00 0.00 0.00 0.00 46.02 45.90 2ays n GLY 387 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2ays h GLU 388 N 0.97 0.00 -4.97 1.61 5.08 -1.27 -3.46 114.58 112.55 2ays h GLU 388 Ca 0.00 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.06 2ays h GLU 388 Cb 0.00 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.10 2ays h GLU 388 CO 0.00 0.00 -0.71 0.00 -1.00 0.00 0.00 179.01 177.30 2ays s ALA 389 N -3.20 1.30 -0.24 3.43 0.00 -0.96 -4.93 121.76 117.16 2ays s ALA 389 Ca 0.06 -1.41 0.08 0.00 0.00 0.00 0.00 51.96 50.68 2ays s ALA 389 Cb 0.12 0.07 -0.20 0.00 0.00 0.00 0.00 23.12 23.10 2ays s ALA 389 CO 0.71 -0.11 -0.12 -0.25 0.00 0.00 0.00 175.76 175.99 2ays n ASP 390 N -0.03 1.27 -3.49 0.00 8.00 0.64 -4.19 116.55 118.75 2ays n ASP 390 Ca -0.12 -0.09 -0.10 0.00 0.71 0.00 0.00 54.79 55.20 2ays n ASP 390 Cb 0.60 0.11 -0.02 0.00 -0.02 0.00 0.00 41.12 41.79 2ays n ASP 390 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2ays s ALA 391 N -2.51 -1.67 0.21 2.24 0.00 -1.13 -4.08 121.76 114.82 2ays s ALA 391 Ca -0.26 0.65 -0.22 0.00 0.00 0.00 0.00 51.96 52.13 2ays s ALA 391 Cb 0.08 0.69 0.05 0.00 0.00 0.00 0.00 23.12 23.93 2ays s ALA 391 CO 0.68 -0.76 0.68 -0.48 0.00 0.00 0.00 175.76 175.88 2ays s LEU 392 N -2.66 -0.40 -0.16 0.00 2.34 -1.18 -1.48 118.68 115.15 2ays s LEU 392 Ca 0.03 -0.31 -0.13 0.00 0.06 0.00 0.00 54.13 53.78 2ays s LEU 392 Cb -0.01 2.63 -0.05 0.00 -0.56 0.00 0.00 46.19 48.20 2ays s LEU 392 CO -0.10 -1.14 0.27 0.21 -1.06 0.00 0.00 176.35 174.53 2ays s ASN 393 N -2.83 6.42 0.01 1.48 2.47 -1.26 -1.57 114.94 119.65 2ays s ASN 393 Ca 0.06 0.49 0.05 0.00 0.42 0.00 0.00 52.86 53.89 2ays s ASN 393 Cb -0.03 -2.17 -0.02 0.00 -1.45 0.00 0.00 41.25 37.58 2ays s ASN 393 CO -0.02 0.12 -0.16 -0.76 -3.72 0.00 0.00 177.10 172.56 2ays s LEU 394 N 0.36 2.08 0.69 3.21 1.43 0.86 -4.91 118.68 122.41 2ays s LEU 394 Ca 0.16 -0.35 -0.17 0.00 -1.03 0.00 0.00 54.13 52.74 2ays s LEU 394 Cb -0.13 -0.78 0.02 0.00 0.03 0.00 0.00 46.19 45.33 2ays s LEU 394 CO 0.04 0.15 1.27 -0.62 0.23 0.00 0.00 176.35 177.42 2ays s ASP 395 N -0.64 4.30 0.46 2.29 2.15 -1.26 -1.59 116.67 122.38 2ays s ASP 395 Ca 0.05 2.56 0.19 0.00 0.43 0.00 0.00 52.55 55.78 2ays s ASP 395 Cb -0.07 -2.61 1.17 0.00 -0.30 0.00 0.00 42.92 41.11 2ays s ASP 395 CO 0.00 -2.21 1.93 1.23 -0.17 0.00 0.00 175.17 175.96 2ays h GLY 396 N 0.13 0.50 1.22 2.66 0.00 -1.83 -0.32 103.07 105.44 2ays h GLY 396 Ca -0.50 -0.12 -0.00 0.00 0.00 0.00 0.00 47.33 46.70 2ays h GLY 396 CO 0.51 0.04 0.45 -1.33 0.00 0.00 0.00 176.54 176.21 2ays h GLY 397 N 0.29 1.10 1.75 4.60 0.00 -1.89 -2.05 103.07 106.88 2ays h GLY 397 Ca 0.35 -0.45 -0.13 0.00 0.00 0.00 0.00 47.33 47.10 2ays h GLY 397 CO -0.09 0.44 -0.77 -0.97 0.00 0.00 0.00 176.54 175.15 2ays h TYR 398 N 1.05 0.00 -0.24 5.60 0.05 -1.24 -3.03 116.97 119.17 2ays h TYR 398 Ca 0.27 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 59.00 2ays h TYR 398 Cb -0.04 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.69 2ays h TYR 398 CO 0.00 0.57 -0.07 0.82 -1.05 0.00 0.00 178.16 178.43 2ays h ILE 399 N 0.00 1.19 -0.11 -2.88 2.04 -0.62 0.16 117.51 117.29 2ays h ILE 399 Ca -0.04 -0.79 -0.00 0.00 1.00 0.00 0.00 64.86 65.02 2ays h ILE 399 Cb 1.47 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 38.64 2ays h ILE 399 CO 0.07 0.26 0.05 0.22 0.00 0.00 0.00 178.15 178.75 2ays h TYR 400 N 0.36 0.16 0.02 1.37 3.20 -1.28 0.13 116.97 120.93 2ays h TYR 400 Ca 0.07 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.96 2ays h TYR 400 Cb 0.36 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.54 2ays h TYR 400 CO 0.01 0.23 -0.24 1.15 -1.64 0.00 0.00 178.16 177.67 2ays h THR 401 N 0.05 0.46 -0.61 1.81 2.02 -1.39 -2.78 112.91 112.46 2ays h THR 401 Ca 0.04 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.18 2ays h THR 401 Cb 0.13 0.46 -0.03 0.00 -1.74 0.00 0.00 68.15 66.97 2ays h THR 401 CO -0.00 0.00 0.23 0.00 0.37 0.00 0.00 175.52 176.12 2ays h ALA 402 N 0.45 1.25 -0.58 6.16 0.00 -0.89 -3.08 119.26 122.58 2ays h ALA 402 Ca 0.06 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 2ays h ALA 402 Cb 0.45 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 2ays h ALA 402 CO -0.20 0.55 0.23 0.78 0.00 0.00 0.00 179.25 180.61 2ays h GLY 403 N 1.00 0.93 2.00 0.00 0.00 -0.58 -1.24 103.07 105.17 2ays h GLY 403 Ca 0.21 -0.50 -0.00 0.00 0.00 0.00 0.00 47.33 47.03 2ays h GLY 403 CO -0.02 0.48 -0.01 0.50 0.00 0.00 0.00 176.54 177.49 2ays h LYS 404 N 0.80 0.00 -0.30 4.80 1.79 -1.40 -0.48 116.57 121.78 2ays h LYS 404 Ca 0.19 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.66 2ays h LYS 404 Cb 0.20 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.85 2ays h LYS 404 CO -0.02 0.01 0.00 0.00 -1.08 0.00 0.00 179.45 178.37 2ays n GLY 406 N 1.32 0.72 3.84 0.00 0.00 -0.19 -5.06 105.19 105.81 2ays n GLY 406 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 2ays n GLY 406 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ays s LEU 407 N 0.00 3.53 0.08 0.99 1.43 -0.55 -4.16 118.68 120.00 2ays s LEU 407 Ca 0.00 1.57 0.07 0.00 -1.03 0.00 0.00 54.13 54.74 2ays s LEU 407 Cb 0.00 -4.50 -0.03 0.00 0.03 0.00 0.00 46.19 41.68 2ays s LEU 407 CO 0.00 -0.72 -0.18 0.68 0.23 0.00 0.00 176.35 176.36 2ays s VAL 408 N -2.72 1.47 0.24 -1.59 -7.23 0.06 -4.02 120.40 106.61 2ays s VAL 408 Ca 0.59 -1.41 -0.30 0.00 -1.81 0.00 0.00 61.98 59.05 2ays s VAL 408 Cb -0.11 -1.35 -0.10 0.00 0.56 0.00 0.00 36.38 35.39 2ays s VAL 408 CO 0.37 -0.10 1.35 -2.16 -0.31 0.00 0.00 175.10 174.24 2ays s PRO 409 N -1.76 4.35 -0.03 4.82 0.04 -1.26 -1.78 135.00 139.37 2ays s PRO 409 Ca 0.03 2.16 -0.08 0.00 0.04 0.00 0.00 61.00 63.15 2ays s PRO 409 Cb -0.10 -3.14 -0.03 0.00 0.04 0.00 0.00 34.50 31.27 2ays s PRO 409 CO 0.03 -0.29 -0.16 0.28 0.04 0.00 0.00 177.00 176.90 2ays n VAL 410 N 2.15 1.33 -4.05 -0.36 0.31 0.20 -4.94 118.33 112.97 2ays n VAL 410 Ca 0.05 0.26 -0.08 0.00 -0.01 0.00 0.00 64.34 64.56 2ays n VAL 410 Cb 0.42 -1.93 -0.10 0.00 -0.91 0.00 0.00 33.84 31.31 2ays n VAL 410 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2ays s LEU 411 N -7.39 2.38 0.12 7.52 1.43 -1.23 -4.48 118.68 117.03 2ays s LEU 411 Ca -0.14 -0.78 0.09 0.00 -1.03 0.00 0.00 54.13 52.27 2ays s LEU 411 Cb 0.02 0.12 -0.04 0.00 0.03 0.00 0.00 46.19 46.32 2ays s LEU 411 CO 0.20 -0.45 -0.19 0.00 0.23 0.00 0.00 176.35 176.14 2ays s ALA 412 N -2.80 2.66 0.25 4.21 0.00 -0.40 -0.62 121.76 125.06 2ays s ALA 412 Ca -0.02 -1.36 -0.30 0.00 0.00 0.00 0.00 51.96 50.27 2ays s ALA 412 Cb -0.00 -0.63 -0.11 0.00 0.00 0.00 0.00 23.12 22.38 2ays s ALA 412 CO -0.06 0.59 1.53 -1.21 0.00 0.00 0.00 175.76 176.61 2ays s GLU 413 N -2.13 4.20 -0.11 0.00 2.02 -0.18 0.02 118.70 122.52 2ays s GLU 413 Ca 0.18 2.42 0.02 0.00 0.02 0.00 0.00 54.97 57.61 2ays s GLU 413 Cb -0.11 -3.08 0.01 0.00 0.10 0.00 0.00 34.13 31.06 2ays s GLU 413 CO 0.10 -0.54 -0.16 1.21 0.02 0.00 0.00 175.26 175.89 2ays s ASN 414 N 0.55 2.54 0.40 -0.19 3.04 0.03 -4.77 114.94 116.54 2ays s ASN 414 Ca 0.63 -0.45 0.08 0.00 0.04 0.00 0.00 52.86 53.15 2ays s ASN 414 Cb -0.45 -1.14 -0.00 0.00 -1.54 0.00 0.00 41.25 38.12 2ays s ASN 414 CO 0.43 0.03 0.50 0.00 -3.04 0.00 0.00 177.10 175.02 2ays s ARG 415 N 0.91 2.81 0.64 0.43 1.70 -1.26 -0.26 118.95 123.92 2ays s ARG 415 Ca -0.08 -1.27 -0.17 0.00 -0.47 0.00 0.00 55.73 53.74 2ays s ARG 415 Cb -0.15 -2.67 -0.01 0.00 -0.57 0.00 0.00 34.95 31.55 2ays s ARG 415 CO -0.01 -0.18 1.22 -1.59 -1.08 0.00 0.00 175.30 173.67 2ays s LYS 416 N -4.25 2.66 -0.04 3.89 -2.85 -1.26 -4.82 119.74 113.08 2ays s LYS 416 Ca 0.51 1.84 -0.08 0.00 -1.00 0.00 0.00 55.97 57.24 2ays s LYS 416 Cb -0.08 -1.89 0.01 0.00 -2.06 0.00 0.00 37.83 33.81 2ays s LYS 416 CO 0.31 -1.45 0.19 -1.54 0.10 0.00 0.00 175.35 172.96 2ays s SER 417 N -1.71 -0.12 0.10 0.03 1.04 -1.26 -5.05 113.70 106.74 2ays s SER 417 Ca 0.77 0.13 -0.30 0.00 0.48 0.00 0.00 55.95 57.03 2ays s SER 417 Cb -0.31 0.32 -0.11 0.00 0.10 0.00 0.00 66.02 66.02 2ays s SER 417 CO 0.38 -0.24 1.61 0.28 0.98 0.00 0.00 173.24 176.25 2ays h SER 418 N 4.97 -1.00 -1.49 7.02 0.02 -2.04 -3.43 113.55 117.60 2ays h SER 418 Ca -0.28 0.10 -0.43 0.00 -0.84 0.00 0.00 61.79 60.34 2ays h SER 418 Cb 1.19 0.36 0.01 0.00 0.14 0.00 0.00 62.40 64.10 2ays h SER 418 CO 0.39 -0.47 -0.28 -0.75 -1.14 0.00 0.00 176.83 174.58 2ays s LYS 419 N -5.99 2.84 -0.16 3.45 2.36 -1.26 -4.50 119.74 116.48 2ays s LYS 419 Ca -0.16 -1.23 0.00 0.00 -2.55 0.00 0.00 55.97 52.02 2ays s LYS 419 Cb 0.07 -2.74 0.00 0.00 -1.05 0.00 0.00 37.83 34.11 2ays s LYS 419 CO 0.63 -0.22 0.00 0.72 1.55 0.00 0.00 175.35 178.03 2ays n HIS 420 N -1.80 0.00 -0.41 4.03 8.25 -1.26 -4.91 115.22 119.12 2ays n HIS 420 Ca 0.07 0.00 0.37 0.00 -0.26 0.00 0.00 57.72 57.90 2ays n HIS 420 Cb 0.59 -0.89 0.72 0.00 1.12 0.00 0.00 29.99 31.53 2ays n HIS 420 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2ays h SER 421 N 0.00 0.09 -0.61 0.41 4.64 -1.83 -2.26 113.55 113.99 2ays h SER 421 Ca -0.03 0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2ays h SER 421 Cb 0.39 0.02 -0.03 0.00 -0.31 0.00 0.00 62.40 62.46 2ays h SER 421 CO 0.05 -0.01 0.35 0.77 -0.87 0.00 0.00 176.83 177.12 2ays h SER 422 N 0.07 0.77 -3.89 4.97 4.64 -1.97 -3.45 113.55 114.69 2ays h SER 422 Ca 0.67 -0.06 -0.49 0.00 -0.47 0.00 0.00 61.79 61.45 2ays h SER 422 Cb 2.48 -0.20 0.01 0.00 -0.31 0.00 0.00 62.40 64.38 2ays h SER 422 CO -0.10 0.62 0.22 -0.76 -0.87 0.00 0.00 176.83 175.94 2ays s LEU 423 N -9.64 3.77 0.55 5.97 1.43 -0.85 -5.05 118.68 114.86 2ays s LEU 423 Ca -0.10 1.32 -0.18 0.00 -1.03 0.00 0.00 54.13 54.13 2ays s LEU 423 Cb 0.17 -4.21 -0.06 0.00 0.03 0.00 0.00 46.19 42.12 2ays s LEU 423 CO 0.78 -0.46 1.08 -0.62 0.23 0.00 0.00 176.35 177.36 2ays s ASP 424 N -3.05 5.86 0.19 2.29 2.15 -1.26 -4.83 116.67 118.02 2ays s ASP 424 Ca 0.54 2.00 -0.13 0.00 0.43 0.00 0.00 52.55 55.39 2ays s ASP 424 Cb -0.10 -2.56 0.21 0.00 -0.30 0.00 0.00 42.92 40.17 2ays s ASP 424 CO 0.30 -1.11 1.68 0.00 -0.17 0.00 0.00 175.17 175.86 2ays h VAL 426 N 0.12 0.46 0.00 0.00 2.07 -1.93 -2.53 116.25 114.44 2ays h VAL 426 Ca 0.27 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.65 2ays h VAL 426 Cb 0.41 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 2ays h VAL 426 CO -0.45 0.03 -0.83 0.18 0.02 0.00 0.00 177.57 176.52 2ays n LEU 427 N -3.69 0.81 -4.77 2.57 4.77 -0.86 -0.59 117.00 115.23 2ays n LEU 427 Ca -0.03 -0.49 -0.38 0.00 -0.03 0.00 0.00 56.01 55.08 2ays n LEU 427 Cb 0.12 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.16 2ays n LEU 427 CO 0.27 0.20 0.72 -0.60 -1.33 0.00 0.00 177.39 176.65 2ays s ARG 428 N -2.64 4.52 0.87 3.23 3.52 -0.70 -4.94 118.95 122.81 2ays s ARG 428 Ca 0.06 1.56 -0.15 0.00 -0.13 0.00 0.00 55.73 57.08 2ays s ARG 428 Cb 0.13 -2.93 -0.04 0.00 -1.56 0.00 0.00 34.95 30.55 2ays s ARG 428 CO 0.71 0.17 0.11 -2.30 -0.81 0.00 0.00 175.30 173.18 2ays n PRO 429 N 0.73 -0.04 -4.24 5.12 -0.02 -1.26 -4.89 135.00 130.40 2ays n PRO 429 Ca 0.01 0.02 -0.34 0.00 -2.02 0.00 0.00 63.50 61.17 2ays n PRO 429 Cb 0.48 -1.59 -0.13 0.00 -0.02 0.00 0.00 33.50 32.24 2ays n PRO 429 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2ays s THR 430 N -2.14 3.62 0.03 3.45 -4.23 -1.26 -5.01 115.64 110.10 2ays s THR 430 Ca 0.55 -0.43 0.10 0.00 -1.18 0.00 0.00 61.69 60.72 2ays s THR 430 Cb -0.26 -2.61 -0.14 0.00 1.34 0.00 0.00 72.50 70.83 2ays s THR 430 CO 0.69 0.46 1.25 -0.33 -0.54 0.00 0.00 174.62 176.14 2ays h GLU 431 N 7.32 0.00 0.00 3.99 5.08 -1.93 -3.48 114.58 125.55 2ays h GLU 431 Ca -0.34 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 2ays h GLU 431 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2ays h GLU 431 CO 0.60 0.81 0.00 0.41 -1.00 0.00 0.00 179.01 179.83 2ays n GLY 432 N 1.34 2.27 3.63 -3.84 0.00 -1.26 -4.96 105.19 102.36 2ays n GLY 432 Ca -0.01 -1.88 -0.24 0.00 0.00 0.00 0.00 46.02 43.88 2ays n GLY 432 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2ays s TYR 433 N -2.87 2.55 -0.26 1.61 -0.85 -0.24 -4.87 117.35 112.43 2ays s TYR 433 Ca 0.00 -0.41 -0.14 0.00 -0.52 0.00 0.00 57.07 56.01 2ays s TYR 433 Cb 0.00 -1.43 -0.04 0.00 0.38 0.00 0.00 41.96 40.87 2ays s TYR 433 CO 0.00 0.50 0.31 -0.51 -1.52 0.00 0.00 175.55 174.33 2ays s LEU 434 N -3.70 4.05 0.03 -3.49 1.43 -1.26 0.15 118.68 115.88 2ays s LEU 434 Ca 0.34 0.22 -0.30 0.00 -1.03 0.00 0.00 54.13 53.36 2ays s LEU 434 Cb -0.01 -2.33 -0.04 0.00 0.03 0.00 0.00 46.19 43.84 2ays s LEU 434 CO 0.19 -0.12 0.99 0.00 0.23 0.00 0.00 176.35 177.64 2ays s ALA 435 N 1.84 3.19 0.23 4.21 0.00 -0.13 -1.01 121.76 130.09 2ays s ALA 435 Ca 0.13 0.56 0.02 0.00 0.00 0.00 0.00 51.96 52.67 2ays s ALA 435 Cb -0.16 -3.33 -0.05 0.00 0.00 0.00 0.00 23.12 19.58 2ays s ALA 435 CO 0.10 -0.19 0.03 0.14 0.00 0.00 0.00 175.76 175.83 2ays s VAL 436 N 0.78 0.82 -0.14 0.00 -7.23 -0.47 -0.22 120.40 113.94 2ays s VAL 436 Ca 0.51 -2.01 0.02 0.00 -1.81 0.00 0.00 61.98 58.70 2ays s VAL 436 Cb -0.22 -2.37 0.01 0.00 0.56 0.00 0.00 36.38 34.36 2ays s VAL 436 CO 0.29 -0.27 -0.21 0.00 -0.31 0.00 0.00 175.10 174.59 2ays s ALA 437 N -3.56 2.19 -0.04 1.32 0.00 -1.26 -2.32 121.76 118.09 2ays s ALA 437 Ca 0.30 -1.06 0.05 0.00 0.00 0.00 0.00 51.96 51.25 2ays s ALA 437 Cb 0.06 -0.99 -0.02 0.00 0.00 0.00 0.00 23.12 22.17 2ays s ALA 437 CO 0.09 -0.06 -0.19 0.08 0.00 0.00 0.00 175.76 175.68 2ays s VAL 438 N 0.87 2.66 0.26 0.00 1.01 -0.19 -0.33 120.40 124.67 2ays s VAL 438 Ca -0.06 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.06 2ays s VAL 438 Cb -0.15 -2.00 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 2ays s VAL 438 CO -0.03 0.59 0.14 0.68 0.00 0.00 0.00 175.10 176.48 2ays s VAL 439 N -0.67 0.29 0.07 2.92 -7.23 0.48 -1.46 120.40 114.79 2ays s VAL 439 Ca 0.11 -2.00 -0.25 0.00 -1.81 0.00 0.00 61.98 58.03 2ays s VAL 439 Cb -0.10 -2.55 -0.06 0.00 0.56 0.00 0.00 36.38 34.23 2ays s VAL 439 CO -0.00 0.00 0.76 -0.54 -0.31 0.00 0.00 175.10 175.01 2ays s LYS 440 N -3.97 4.50 0.38 4.82 1.02 -1.26 -1.26 119.74 123.96 2ays s LYS 440 Ca 0.38 1.07 0.13 0.00 0.02 0.00 0.00 55.97 57.57 2ays s LYS 440 Cb 0.06 -3.34 0.96 0.00 -0.52 0.00 0.00 37.83 34.99 2ays s LYS 440 CO 0.15 0.36 1.83 -0.22 -0.92 0.00 0.00 175.35 176.55 2ays h LYS 441 N 5.34 0.53 0.00 1.68 3.64 -1.03 -1.74 116.57 124.98 2ays h LYS 441 Ca -0.45 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 58.89 2ays h LYS 441 Cb 1.21 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.91 2ays h LYS 441 CO 0.70 0.35 -0.04 0.00 -2.27 0.00 0.00 179.45 178.18 2ays h ALA 442 N 1.62 1.08 -0.86 5.00 0.00 -1.93 -3.26 119.26 120.91 2ays h ALA 442 Ca 0.51 -0.04 -0.72 0.00 0.00 0.00 0.00 54.91 54.65 2ays h ALA 442 Cb 1.07 -0.01 -0.12 0.00 0.00 0.00 0.00 17.79 18.74 2ays h ALA 442 CO -0.24 0.06 2.18 -1.71 0.00 0.00 0.00 179.25 179.53 2ays n ASN 443 N -3.26 4.79 -4.77 0.00 2.85 -0.66 -4.98 115.26 109.24 2ays n ASN 443 Ca -0.01 -2.97 -0.34 0.00 -0.11 0.00 0.00 54.58 51.15 2ays n ASN 443 Cb 0.22 -1.60 0.04 0.00 1.24 0.00 0.00 39.78 39.68 2ays n ASN 443 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 2ays s GLU 444 N 2.15 2.93 0.00 1.20 2.02 -1.23 -3.20 118.70 122.57 2ays s GLU 444 Ca 0.45 1.47 0.00 0.00 0.02 0.00 0.00 54.97 56.91 2ays s GLU 444 Cb 0.07 -1.96 0.00 0.00 0.10 0.00 0.00 34.13 32.33 2ays s GLU 444 CO -0.00 -1.16 0.00 0.41 0.02 0.00 0.00 175.26 174.53 2ays n GLY 445 N -0.29 0.47 3.67 -1.39 0.00 -1.26 -4.96 105.19 101.42 2ays n GLY 445 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 2ays n GLY 445 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2ays s LEU 446 N 0.00 4.16 0.28 0.99 2.96 -1.20 -4.91 118.68 120.97 2ays s LEU 446 Ca 0.00 1.06 0.03 0.00 -0.22 0.00 0.00 54.13 55.00 2ays s LEU 446 Cb 0.00 -3.12 -0.04 0.00 0.50 0.00 0.00 46.19 43.53 2ays s LEU 446 CO 0.00 -0.36 0.16 0.42 -1.32 0.00 0.00 176.35 175.26 2ays s THR 447 N 2.06 0.24 0.37 3.68 -4.23 -1.26 -4.98 115.64 111.52 2ays s THR 447 Ca 0.35 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 59.00 2ays s THR 447 Cb -0.16 -2.52 0.36 0.00 1.34 0.00 0.00 72.50 71.51 2ays s THR 447 CO 0.12 0.00 1.78 -0.25 -0.54 0.00 0.00 174.62 175.73 2ays h TRP 448 N 2.31 0.79 0.00 3.99 2.91 -1.86 -1.30 115.95 122.79 2ays h TRP 448 Ca -0.33 0.03 0.00 0.00 1.13 0.00 0.00 58.89 59.71 2ays h TRP 448 Cb 1.25 -0.23 0.00 0.00 -0.51 0.00 0.00 29.16 29.66 2ays h TRP 448 CO 0.91 0.12 0.00 0.09 -1.03 0.00 0.00 178.44 178.53 2ays n ASN 449 N -4.67 0.00 -1.72 2.65 3.02 -1.26 -3.52 115.26 109.76 2ays n ASN 449 Ca 0.24 -0.56 -0.14 0.00 -0.03 0.00 0.00 54.58 54.09 2ays n ASN 449 Cb 0.75 -0.14 0.07 0.00 -0.61 0.00 0.00 39.78 39.85 2ays n ASN 449 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2ays n SER 450 N -1.14 3.83 0.09 6.41 3.41 -0.49 -4.75 113.62 120.97 2ays n SER 450 Ca 0.19 -3.63 0.08 0.00 -0.26 0.00 0.00 58.87 55.25 2ays n SER 450 Cb 0.17 -0.39 -0.02 0.00 -0.26 0.00 0.00 64.21 63.71 2ays n SER 450 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2ays h LEU 451 N 1.89 0.00 -9.48 1.04 3.38 -1.63 -3.44 115.31 107.08 2ays h LEU 451 Ca 0.23 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.59 2ays h LEU 451 Cb 1.40 0.00 0.08 0.00 0.09 0.00 0.00 40.66 42.23 2ays h LEU 451 CO 0.52 0.16 0.47 1.17 0.09 0.00 0.00 178.44 180.85 2ays n LYS 452 N -2.74 1.66 -0.91 1.13 4.81 -1.26 -1.45 118.16 119.41 2ays n LYS 452 Ca -0.03 0.59 0.00 0.00 -0.87 0.00 0.00 58.31 58.00 2ays n LYS 452 Cb 0.63 -2.18 0.00 0.00 0.02 0.00 0.00 35.03 33.50 2ays n LYS 452 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2ays n ASP 453 N 2.12 -2.36 -4.81 3.14 10.43 0.18 -4.95 116.55 120.29 2ays n ASP 453 Ca 0.13 0.00 -0.23 0.00 2.57 0.00 0.00 54.79 57.27 2ays n ASP 453 Cb 0.28 -1.45 0.08 0.00 1.84 0.00 0.00 41.12 41.87 2ays n ASP 453 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 2ays s LYS 454 N -0.66 2.04 -0.05 -1.24 -0.14 -0.53 -3.74 119.74 115.43 2ays s LYS 454 Ca 0.00 -0.96 -0.15 0.00 -1.36 0.00 0.00 55.97 53.50 2ays s LYS 454 Cb 0.00 -2.39 -0.05 0.00 -1.68 0.00 0.00 37.83 33.71 2ays s LYS 454 CO 0.00 -1.15 0.40 0.15 -0.76 0.00 0.00 175.35 173.99 2ays s LYS 455 N -4.99 4.04 0.15 1.68 1.02 -1.26 -1.65 119.74 118.73 2ays s LYS 455 Ca 0.63 0.37 0.09 0.00 0.02 0.00 0.00 55.97 57.07 2ays s LYS 455 Cb -0.07 -3.29 -0.04 0.00 -0.52 0.00 0.00 37.83 33.90 2ays s LYS 455 CO 0.42 0.52 -0.20 -1.54 -0.92 0.00 0.00 175.35 173.63 2ays s SER 456 N -0.50 2.73 -0.13 2.83 1.04 -0.57 -0.79 113.70 118.31 2ays s SER 456 Ca 0.23 -0.81 0.02 0.00 0.48 0.00 0.00 55.95 55.87 2ays s SER 456 Cb -0.16 -0.16 0.01 0.00 0.10 0.00 0.00 66.02 65.81 2ays s SER 456 CO 0.11 0.01 -0.17 0.00 0.98 0.00 0.00 173.24 174.17 2ays s HIS 458 N 1.04 1.65 0.08 0.00 3.76 -0.50 -1.62 115.29 119.70 2ays s HIS 458 Ca -0.04 -0.39 -0.23 0.00 -0.15 0.00 0.00 55.06 54.25 2ays s HIS 458 Cb -0.15 -0.94 -0.14 0.00 1.11 0.00 0.00 32.58 32.46 2ays s HIS 458 CO -0.04 0.12 1.69 1.79 -0.85 0.00 0.00 174.74 177.45 2ays h THR 459 N 4.27 1.05 -1.53 1.30 1.35 -1.74 -3.41 112.91 114.22 2ays h THR 459 Ca -0.43 -0.15 0.18 0.00 -0.55 0.00 0.00 66.41 65.46 2ays h THR 459 Cb 1.17 1.09 -0.21 0.00 -1.73 0.00 0.00 68.15 68.47 2ays h THR 459 CO 0.42 0.04 0.71 0.00 -0.25 0.00 0.00 175.52 176.45 2ays s ALA 460 N -5.97 -2.00 0.64 6.62 0.00 -1.26 -1.49 121.76 118.29 2ays s ALA 460 Ca -0.13 1.58 -0.18 0.00 0.00 0.00 0.00 51.96 53.22 2ays s ALA 460 Cb 0.06 -0.53 -0.01 0.00 0.00 0.00 0.00 23.12 22.64 2ays s ALA 460 CO 0.67 -0.44 1.27 0.08 0.00 0.00 0.00 175.76 177.33 2ays s VAL 461 N -1.81 2.20 0.00 0.00 1.01 0.68 -3.08 120.40 119.41 2ays s VAL 461 Ca 0.05 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.16 2ays s VAL 461 Cb -0.01 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 33.35 2ays s VAL 461 CO -0.04 -0.03 0.00 0.47 0.00 0.00 0.00 175.10 175.50 2ays n ASP 462 N -1.88 0.00 -4.92 3.32 8.00 -1.26 -4.97 116.55 114.84 2ays n ASP 462 Ca 0.15 0.00 -0.26 0.00 0.71 0.00 0.00 54.79 55.39 2ays n ASP 462 Cb 0.49 -0.47 -0.01 0.00 -0.02 0.00 0.00 41.12 41.10 2ays n ASP 462 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2ays s ARG 463 N -0.18 3.55 0.01 -1.24 0.52 -1.18 -4.03 118.95 116.41 2ays s ARG 463 Ca 0.00 -0.05 -0.19 0.00 -0.52 0.00 0.00 55.73 54.97 2ays s ARG 463 Cb 0.00 -2.56 -0.10 0.00 0.52 0.00 0.00 34.95 32.81 2ays s ARG 463 CO 0.00 0.05 1.03 1.15 0.02 0.00 0.00 175.30 177.56 2ays h THR 464 N 0.77 0.00 0.00 0.02 2.02 -1.92 0.04 112.91 113.84 2ays h THR 464 Ca -0.48 -0.16 -0.19 0.00 0.77 0.00 0.00 66.41 66.35 2ays h THR 464 Cb 1.21 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.59 2ays h THR 464 CO 0.63 0.00 -0.90 0.00 0.37 0.00 0.00 175.52 175.62 2ays h ALA 465 N -1.53 0.52 0.00 6.16 0.00 -1.91 -2.00 119.26 120.50 2ays h ALA 465 Ca -0.07 -0.82 0.00 0.00 0.00 0.00 0.00 54.91 54.03 2ays h ALA 465 Cb 0.52 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2ays h ALA 465 CO 0.11 1.12 -0.06 0.78 0.00 0.00 0.00 179.25 181.20 2ays h GLY 466 N 2.67 0.00 0.00 0.00 0.00 -1.68 -3.39 103.07 100.66 2ays h GLY 466 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 2ays h GLY 466 CO 0.12 0.00 0.00 1.87 0.00 0.00 0.00 176.54 178.53 2ays n TRP 467 N -2.84 -2.93 -0.30 5.60 -0.00 -0.81 -4.24 117.44 111.92 2ays n TRP 467 Ca 0.04 0.71 -0.02 0.00 -0.00 0.00 0.00 57.50 58.23 2ays n TRP 467 Cb 0.50 1.48 0.10 0.00 -0.00 0.00 0.00 31.31 33.39 2ays n TRP 467 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 177.69 176.78 2ays h ASN 468 N 0.00 0.88 0.29 5.87 2.35 -0.95 0.58 115.58 124.61 2ays h ASN 468 Ca 0.00 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.73 2ays h ASN 468 Cb 0.00 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.18 2ays h ASN 468 CO 0.00 0.61 -0.14 0.40 -1.65 0.00 0.00 177.43 176.64 2ays h ILE 469 N 1.03 0.32 -0.67 2.81 1.08 -1.61 -1.62 117.51 118.86 2ays h ILE 469 Ca 0.33 -0.82 -0.02 0.00 -0.39 0.00 0.00 64.86 63.96 2ays h ILE 469 Cb 0.00 0.54 -0.03 0.00 -3.07 0.00 0.00 36.82 34.26 2ays h ILE 469 CO -0.11 0.08 0.33 1.55 -0.69 0.00 0.00 178.15 179.31 2ays h PRO 470 N -1.03 0.96 -0.03 2.37 0.13 -1.78 -1.14 132.00 131.49 2ays h PRO 470 Ca -0.04 -0.14 -0.17 0.00 -0.87 0.00 0.00 66.00 64.78 2ays h PRO 470 Cb 0.44 -0.17 -0.01 0.00 0.13 0.00 0.00 31.00 31.38 2ays h PRO 470 CO 0.07 0.76 -0.73 0.52 -0.23 0.00 0.00 178.00 178.39 2ays h MET 471 N 0.93 0.17 -0.48 0.86 2.86 -1.00 -0.96 114.93 117.32 2ays h MET 471 Ca 0.23 -0.15 -0.00 0.00 -2.06 0.00 0.00 59.70 57.72 2ays h MET 471 Cb 0.11 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.78 2ays h MET 471 CO -0.03 0.83 0.29 0.78 1.06 0.00 0.00 176.91 179.84 2ays h GLY 472 N 1.76 0.69 0.95 8.32 0.00 -1.03 0.88 103.07 114.63 2ays h GLY 472 Ca -0.02 -0.28 -0.03 0.00 0.00 0.00 0.00 47.33 46.99 2ays h GLY 472 CO 0.11 0.27 0.14 1.41 0.00 0.00 0.00 176.54 178.47 2ays h LEU 473 N 0.64 0.63 -0.65 3.11 3.38 -1.00 -2.13 115.31 119.28 2ays h LEU 473 Ca 0.17 -0.20 -0.12 0.00 0.09 0.00 0.00 57.88 57.81 2ays h LEU 473 Cb -0.02 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 2ays h LEU 473 CO -0.03 0.67 -0.28 0.40 0.09 0.00 0.00 178.44 179.29 2ays h ILE 474 N 0.56 1.28 -0.26 1.22 2.04 -0.96 -1.38 117.51 120.00 2ays h ILE 474 Ca 0.14 -1.41 -0.01 0.00 1.00 0.00 0.00 64.86 64.58 2ays h ILE 474 Cb 0.26 1.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 2ays h ILE 474 CO -0.00 0.46 0.13 0.58 0.00 0.00 0.00 178.15 179.32 2ays h VAL 475 N 0.64 1.14 0.11 1.67 2.07 -0.76 -1.90 116.25 119.22 2ays h VAL 475 Ca 0.08 -0.40 -0.00 0.00 0.82 0.00 0.00 66.70 67.20 2ays h VAL 475 Cb 0.80 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 2ays h VAL 475 CO 0.07 0.14 -0.08 0.78 0.02 0.00 0.00 177.57 178.50 2ays h ASN 476 N 0.30 -0.21 0.30 0.57 4.21 -1.17 0.14 115.58 119.71 2ays h ASN 476 Ca 0.09 0.02 -0.03 0.00 1.21 0.00 0.00 56.30 57.59 2ays h ASN 476 Cb 0.11 0.07 -0.00 0.00 -1.12 0.00 0.00 38.32 37.37 2ays h ASN 476 CO -0.01 -0.13 -0.14 1.56 -1.29 0.00 0.00 177.43 177.42 2ays h GLN 477 N -0.20 0.00 0.01 0.81 4.20 -1.22 -3.03 115.11 115.68 2ays h GLN 477 Ca -0.00 0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.39 2ays h GLN 477 Cb 0.18 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.91 2ays h GLN 477 CO -0.00 0.14 -1.86 2.41 -0.67 0.00 0.00 178.83 178.84 2ays n THR 478 N -3.84 1.59 -1.46 -0.54 -1.04 -0.72 -4.98 114.28 103.30 2ays n THR 478 Ca -0.02 -0.79 -0.09 0.00 -2.04 0.00 0.00 64.05 61.12 2ays n THR 478 Cb 0.24 -1.03 -0.03 0.00 -1.82 0.00 0.00 70.33 67.69 2ays n THR 478 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2ays n GLY 479 N 1.64 0.81 2.99 3.41 0.00 0.44 -5.02 105.19 109.46 2ays n GLY 479 Ca -0.21 -0.62 -0.16 0.00 0.00 0.00 0.00 46.02 45.02 2ays n GLY 479 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ays s SER 480 N -2.84 0.76 0.00 1.61 0.15 -1.22 -5.01 113.70 107.15 2ays s SER 480 Ca 0.00 -0.19 0.13 0.00 0.70 0.00 0.00 55.95 56.59 2ays s SER 480 Cb 0.00 -0.06 0.50 0.00 -1.71 0.00 0.00 66.02 64.74 2ays s SER 480 CO 0.00 0.03 1.36 0.00 1.20 0.00 0.00 173.24 175.83 2ays n ALA 482 N 0.10 5.47 0.12 0.00 0.00 -1.26 -4.60 120.51 120.34 2ays n ALA 482 Ca 0.11 -1.46 0.08 0.00 0.00 0.00 0.00 53.44 52.17 2ays n ALA 482 Cb 0.22 -1.74 0.42 0.00 0.00 0.00 0.00 19.45 18.35 2ays n ALA 482 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 2ays n PHE 483 N 1.56 0.52 1.38 0.00 -1.74 -1.26 -0.93 117.46 116.98 2ays n PHE 483 Ca 0.29 0.27 0.14 0.00 -0.56 0.00 0.00 57.45 57.59 2ays n PHE 483 Cb 0.67 -0.92 0.59 0.00 1.52 0.00 0.00 39.48 41.34 2ays n PHE 483 CO 0.00 0.00 0.00 -0.40 -0.56 0.00 0.00 176.76 175.80 2ays n ASP 484 N -2.04 0.50 -0.29 5.98 5.75 -1.26 -3.56 116.55 121.63 2ays n ASP 484 Ca -0.01 -0.57 0.03 0.00 -0.01 0.00 0.00 54.79 54.23 2ays n ASP 484 Cb 0.05 -0.06 0.05 0.00 -1.03 0.00 0.00 41.12 40.13 2ays n ASP 484 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2ays n GLU 485 N -0.95 1.36 0.03 0.11 1.02 -0.11 -4.74 120.64 117.35 2ays n GLU 485 Ca 0.14 -1.32 -0.11 0.00 -0.02 0.00 0.00 57.16 55.85 2ays n GLU 485 Cb 0.29 -1.13 -0.08 0.00 -0.02 0.00 0.00 31.44 30.49 2ays n GLU 485 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 2ays h PHE 486 N 1.12 -0.14 -3.51 -0.32 3.57 -1.60 -3.45 116.94 112.60 2ays h PHE 486 Ca 0.00 -0.00 -0.51 0.00 3.53 0.00 0.00 57.97 60.98 2ays h PHE 486 Cb 0.43 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.20 2ays h PHE 486 CO 0.06 0.35 -0.02 -0.06 -2.23 0.00 0.00 178.31 176.41 2ays s PHE 487 N -3.29 3.43 0.09 0.41 0.08 -1.26 -0.65 117.98 116.79 2ays s PHE 487 Ca -0.13 0.94 -0.16 0.00 0.12 0.00 0.00 56.93 57.70 2ays s PHE 487 Cb 0.00 -2.33 -0.10 0.00 -0.57 0.00 0.00 43.02 40.02 2ays s PHE 487 CO 0.51 0.13 1.41 0.66 -0.10 0.00 0.00 175.22 177.83 2ays h SER 488 N 2.06 0.66 -5.02 1.36 4.64 -1.40 -3.45 113.55 112.40 2ays h SER 488 Ca -0.47 -0.47 -0.12 0.00 -0.47 0.00 0.00 61.79 60.26 2ays h SER 488 Cb 1.18 -0.19 -0.19 0.00 -0.31 0.00 0.00 62.40 62.89 2ays h SER 488 CO 0.67 0.99 -0.37 -1.10 -0.87 0.00 0.00 176.83 176.15 2ays s GLN 489 N -4.36 0.64 0.21 4.77 -0.21 -1.26 -4.91 119.66 114.54 2ays s GLN 489 Ca -0.13 -0.43 -0.10 0.00 0.02 0.00 0.00 55.36 54.72 2ays s GLN 489 Cb 0.08 0.27 -0.01 0.00 1.00 0.00 0.00 33.01 34.35 2ays s GLN 489 CO 0.81 -0.18 0.37 -1.12 -2.12 0.00 0.00 175.29 173.05 2ays s SER 490 N -1.69 -0.02 -0.24 5.90 0.01 -0.41 -1.51 113.70 115.74 2ays s SER 490 Ca -0.10 -0.96 0.01 0.00 1.31 0.00 0.00 55.95 56.21 2ays s SER 490 Cb -0.04 0.51 0.04 0.00 0.21 0.00 0.00 66.02 66.74 2ays s SER 490 CO -0.00 -1.01 -0.10 0.00 0.41 0.00 0.00 173.24 172.54 2ays s ALA 492 N 1.22 1.78 0.24 0.00 0.00 0.11 -1.41 121.76 123.71 2ays s ALA 492 Ca -0.03 -2.51 -0.31 0.00 0.00 0.00 0.00 51.96 49.12 2ays s ALA 492 Cb -0.18 -1.75 -0.14 0.00 0.00 0.00 0.00 23.12 21.06 2ays s ALA 492 CO -0.06 -2.05 1.27 -2.30 0.00 0.00 0.00 175.76 172.62 2ays n PRO 493 N 3.24 1.72 0.00 0.00 -0.02 -1.26 -2.18 135.00 136.50 2ays n PRO 493 Ca 0.18 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 2ays n PRO 493 Cb 0.40 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 2ays n PRO 493 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ays n GLY 494 N 1.80 0.57 3.98 -1.23 0.00 -0.22 -0.23 105.19 109.87 2ays n GLY 494 Ca 0.11 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.94 2ays n GLY 494 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ays s ALA 495 N -2.04 4.15 -0.25 4.61 0.00 -0.93 -4.91 121.76 122.40 2ays s ALA 495 Ca 0.00 -1.40 -0.38 0.00 0.00 0.00 0.00 51.96 50.17 2ays s ALA 495 Cb 0.00 -1.81 -0.14 0.00 0.00 0.00 0.00 23.12 21.16 2ays s ALA 495 CO 0.00 -0.24 1.83 -3.47 0.00 0.00 0.00 175.76 173.88 2ays n ASP 496 N -1.86 2.58 0.34 0.00 -0.08 -1.26 -4.81 116.55 111.45 2ays n ASP 496 Ca 0.03 0.98 0.22 0.00 -1.51 0.00 0.00 54.79 54.51 2ays n ASP 496 Cb 0.58 -1.20 1.20 0.00 2.34 0.00 0.00 41.12 44.04 2ays n ASP 496 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2ays h PRO 497 N 8.22 0.00 -0.01 -0.67 0.11 -1.94 -0.43 132.00 137.28 2ays h PRO 497 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2ays h PRO 497 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 2ays h PRO 497 CO 0.97 0.00 -0.34 1.63 -0.21 0.00 0.00 178.00 180.05 2ays n LYS 498 N -3.14 0.76 -2.39 1.05 5.02 -1.26 -4.71 118.16 113.49 2ays n LYS 498 Ca -0.03 -0.48 -0.26 0.00 -2.02 0.00 0.00 58.31 55.52 2ays n LYS 498 Cb 0.07 -1.49 0.04 0.00 -0.02 0.00 0.00 35.03 33.63 2ays n LYS 498 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2ays s SER 499 N -2.58 5.43 0.34 4.39 1.04 -0.17 -4.97 113.70 117.18 2ays s SER 499 Ca 0.21 0.62 0.26 0.00 0.48 0.00 0.00 55.95 57.52 2ays s SER 499 Cb 0.19 -1.55 1.09 0.00 0.10 0.00 0.00 66.02 65.85 2ays s SER 499 CO 0.56 -1.16 1.79 0.08 0.98 0.00 0.00 173.24 175.49 2ays h ARG 500 N -0.23 0.00 0.00 4.02 0.11 -1.91 -1.66 114.38 114.71 2ays h ARG 500 Ca -0.45 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.63 2ays h ARG 500 Cb 1.27 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.35 2ays h ARG 500 CO 0.60 0.00 0.00 1.28 0.10 0.00 0.00 179.97 181.95 2ays n LEU 501 N -2.46 0.29 -0.22 0.08 4.77 -1.26 -1.29 117.00 116.90 2ays n LEU 501 Ca 0.02 0.59 0.03 0.00 -0.03 0.00 0.00 56.01 56.61 2ays n LEU 501 Cb 0.25 -0.56 0.03 0.00 -2.33 0.00 0.00 43.42 40.81 2ays n LEU 501 CO 0.22 -0.47 0.38 0.00 -1.33 0.00 0.00 177.39 176.19 2ays h ALA 503 N 0.99 1.82 -0.00 0.00 0.00 -1.12 -1.59 119.26 119.37 2ays h ALA 503 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2ays h ALA 503 Cb 0.30 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2ays h ALA 503 CO 0.00 0.16 -0.50 1.28 0.00 0.00 0.00 179.25 180.19 2ays n LEU 504 N -4.50 0.56 -4.77 0.00 4.32 -0.10 -4.92 117.00 107.59 2ays n LEU 504 Ca 0.01 -0.04 -0.35 0.00 -0.02 0.00 0.00 56.01 55.62 2ays n LEU 504 Cb 0.08 -0.23 0.02 0.00 -1.62 0.00 0.00 43.42 41.67 2ays n LEU 504 CO 0.35 0.13 0.78 0.00 -1.22 0.00 0.00 177.39 177.43 2ays n ALA 506 N -1.75 2.34 -0.32 0.00 0.00 -1.26 -4.81 120.51 114.71 2ays n ALA 506 Ca 0.12 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2ays n ALA 506 Cb 0.51 -0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.86 2ays n ALA 506 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ays n GLY 507 N 1.06 -0.61 3.83 0.00 0.00 -1.26 -4.43 105.19 103.77 2ays n GLY 507 Ca 0.01 -1.13 -0.27 0.00 0.00 0.00 0.00 46.02 44.63 2ays n GLY 507 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2ays s ASP 508 N -4.00 4.51 0.00 1.61 1.47 -0.34 -1.48 116.67 118.44 2ays s ASP 508 Ca 0.00 -1.23 0.00 0.00 1.18 0.00 0.00 52.55 52.50 2ays s ASP 508 Cb 0.00 0.09 0.00 0.00 -0.34 0.00 0.00 42.92 42.67 2ays s ASP 508 CO 0.00 -0.86 0.00 0.47 0.68 0.00 0.00 175.17 175.46 2ays n ASP 509 N -1.50 0.00 -0.38 2.11 8.00 -1.26 0.23 116.55 123.75 2ays n ASP 509 Ca -0.04 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.48 2ays n ASP 509 Cb 0.65 0.00 0.06 0.00 -0.02 0.00 0.00 41.12 41.81 2ays n ASP 509 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2ays n GLN 510 N -0.30 1.41 -0.94 -1.24 6.02 -1.26 -4.87 117.38 116.20 2ays n GLN 510 Ca 0.00 -0.50 0.00 0.00 -0.01 0.00 0.00 57.00 56.49 2ays n GLN 510 Cb 0.00 -1.25 0.00 0.00 1.02 0.00 0.00 30.24 30.01 2ays n GLN 510 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2ays n GLY 511 N 0.54 0.48 3.92 1.08 0.00 0.62 -4.99 105.19 106.85 2ays n GLY 511 Ca 0.05 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.80 2ays n GLY 511 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ays s LEU 512 N 0.00 3.18 -1.45 0.99 1.43 -1.25 -4.16 118.68 117.42 2ays s LEU 512 Ca 0.00 0.70 -0.00 0.00 -1.03 0.00 0.00 54.13 53.80 2ays s LEU 512 Cb 0.00 -3.51 0.00 0.00 0.03 0.00 0.00 46.19 42.71 2ays s LEU 512 CO 0.00 -1.12 0.06 0.47 0.23 0.00 0.00 176.35 175.99 2ays n ASP 513 N -2.63 -5.10 -4.69 2.29 8.00 -1.26 -1.20 116.55 111.96 2ays n ASP 513 Ca 0.05 -0.04 -0.43 0.00 0.71 0.00 0.00 54.79 55.07 2ays n ASP 513 Cb 0.58 -4.16 -0.03 0.00 -0.02 0.00 0.00 41.12 37.49 2ays n ASP 513 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 2ays n LYS 514 N -2.75 2.66 -1.02 -1.24 4.81 -1.26 -1.55 118.16 117.80 2ays n LYS 514 Ca -0.19 0.96 -0.01 0.00 -0.87 0.00 0.00 58.31 58.21 2ays n LYS 514 Cb 0.65 -2.82 -0.00 0.00 0.02 0.00 0.00 35.03 32.87 2ays n LYS 514 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2ays s VAL 516 N -1.73 2.98 -1.38 0.00 -7.23 -0.60 -1.05 120.40 111.39 2ays s VAL 516 Ca 0.00 0.85 -0.08 0.00 -1.81 0.00 0.00 61.98 60.94 2ays s VAL 516 Cb 0.00 -3.49 0.09 0.00 0.56 0.00 0.00 36.38 33.54 2ays s VAL 516 CO 0.00 0.11 2.33 -0.81 -0.31 0.00 0.00 175.10 176.41 2ays n PRO 517 N 0.18 3.99 -4.05 4.82 -0.04 -1.26 -4.45 135.00 134.18 2ays n PRO 517 Ca 0.04 -3.17 -0.11 0.00 -0.04 0.00 0.00 63.50 60.21 2ays n PRO 517 Cb 0.45 -2.81 -0.06 0.00 -0.04 0.00 0.00 33.50 31.05 2ays n PRO 517 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2ays s ASN 518 N 1.10 0.17 0.00 3.54 2.20 -1.26 -4.53 114.94 116.15 2ays s ASN 518 Ca 0.52 -1.13 0.15 0.00 -0.94 0.00 0.00 52.86 51.46 2ays s ASN 518 Cb 0.15 0.57 0.80 0.00 -2.00 0.00 0.00 41.25 40.77 2ays s ASN 518 CO -0.06 -1.13 1.41 -1.54 -2.94 0.00 0.00 177.10 172.83 2ays n SER 519 N -0.60 0.00 0.11 3.54 3.41 -1.26 -1.75 113.62 117.06 2ays n SER 519 Ca -0.01 -0.04 0.01 0.00 -0.26 0.00 0.00 58.87 58.57 2ays n SER 519 Cb 0.62 -0.23 0.32 0.00 -0.26 0.00 0.00 64.21 64.67 2ays n SER 519 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2ays h LYS 520 N 0.00 0.22 -6.31 4.33 1.57 -1.94 -3.41 116.57 111.04 2ays h LYS 520 Ca 0.00 -0.07 -0.55 0.00 -1.87 0.00 0.00 60.65 58.16 2ays h LYS 520 Cb 0.11 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 2ays h LYS 520 CO 0.00 0.47 0.91 -2.00 -0.57 0.00 0.00 179.45 178.26 2ays s GLU 521 N -4.46 4.25 0.29 3.15 2.56 -0.72 -3.40 118.70 120.37 2ays s GLU 521 Ca -0.05 1.97 0.03 0.00 0.00 0.00 0.00 54.97 56.92 2ays s GLU 521 Cb 0.15 -3.70 0.68 0.00 2.00 0.00 0.00 34.13 33.25 2ays s GLU 521 CO 0.75 -0.66 1.74 -0.22 -0.56 0.00 0.00 175.26 176.31 2ays h LYS 522 N 8.31 0.57 -0.51 4.30 3.64 -1.50 -2.39 116.57 128.99 2ays h LYS 522 Ca -0.36 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 2ays h LYS 522 Cb 1.16 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.86 2ays h LYS 522 CO 0.93 0.38 0.00 0.66 -2.27 0.00 0.00 179.45 179.15 2ays n TYR 523 N -4.89 0.67 -2.12 1.91 4.01 -1.26 -4.49 117.16 110.99 2ays n TYR 523 Ca 0.21 -0.34 -0.38 0.00 -0.16 0.00 0.00 57.90 57.24 2ays n TYR 523 Cb 0.57 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.60 2ays n TYR 523 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 2ays s TYR 524 N -1.33 2.78 0.00 -0.72 5.04 -0.90 -1.51 117.35 120.71 2ays s TYR 524 Ca 0.35 1.48 0.00 0.00 -2.44 0.00 0.00 57.07 56.46 2ays s TYR 524 Cb 0.18 -3.54 0.00 0.00 0.35 0.00 0.00 41.96 38.96 2ays s TYR 524 CO 0.24 -1.89 0.00 0.41 -1.34 0.00 0.00 175.55 172.97 2ays n GLY 525 N 0.58 -2.43 0.14 8.97 0.00 -0.56 -1.78 105.19 110.11 2ays n GLY 525 Ca 0.06 -1.58 -0.07 0.00 0.00 0.00 0.00 46.02 44.43 2ays n GLY 525 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2ays h TYR 526 N 0.00 0.19 -0.35 1.61 0.05 -1.91 -1.13 116.97 115.43 2ays h TYR 526 Ca 0.00 0.01 -0.04 0.00 0.05 0.00 0.00 58.73 58.75 2ays h TYR 526 Cb 0.00 -0.04 -0.01 0.00 1.01 0.00 0.00 36.73 37.68 2ays h TYR 526 CO 0.00 0.09 0.05 1.15 -1.05 0.00 0.00 178.16 178.40 2ays h THR 527 N 0.24 1.24 -0.52 -2.88 2.02 -1.88 -2.00 112.91 109.13 2ays h THR 527 Ca 0.13 -0.86 -0.02 0.00 0.77 0.00 0.00 66.41 66.43 2ays h THR 527 Cb 0.09 1.13 -0.02 0.00 -1.74 0.00 0.00 68.15 67.61 2ays h THR 527 CO -0.13 0.29 0.25 1.23 0.37 0.00 0.00 175.52 177.53 2ays h GLY 528 N 0.42 0.81 1.25 2.16 0.00 -1.22 0.45 103.07 106.94 2ays h GLY 528 Ca 0.11 -0.40 -0.13 0.00 0.00 0.00 0.00 47.33 46.90 2ays h GLY 528 CO 0.01 0.38 -0.29 0.00 0.00 0.00 0.00 176.54 176.64 2ays h ALA 529 N 1.09 0.74 -0.36 3.60 0.00 -0.10 -0.45 119.26 123.78 2ays h ALA 529 Ca 0.18 -0.41 -0.08 0.00 0.00 0.00 0.00 54.91 54.59 2ays h ALA 529 Cb 0.13 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2ays h ALA 529 CO -0.02 0.66 -0.12 0.35 0.00 0.00 0.00 179.25 180.11 2ays h PHE 530 N 0.72 0.70 -0.44 0.00 3.57 -1.16 -2.62 116.94 117.71 2ays h PHE 530 Ca 0.08 -0.12 -0.07 0.00 3.53 0.00 0.00 57.97 61.39 2ays h PHE 530 Cb 0.84 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.38 2ays h PHE 530 CO 0.05 0.74 -0.02 -0.09 -2.23 0.00 0.00 178.31 176.76 2ays h ARG 531 N 0.59 0.72 -0.95 1.11 2.43 -0.44 0.74 114.38 118.58 2ays h ARG 531 Ca 0.10 -0.19 0.03 0.00 -0.81 0.00 0.00 59.98 59.11 2ays h ARG 531 Cb 0.56 -0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 29.97 2ays h ARG 531 CO 0.03 0.75 0.62 0.00 -1.51 0.00 0.00 179.97 179.86 2ays h LEU 533 N 1.21 0.29 -1.33 0.00 5.85 -1.06 -1.55 115.31 118.72 2ays h LEU 533 Ca 0.37 -0.68 0.10 0.00 0.84 0.00 0.00 57.88 58.51 2ays h LEU 533 Cb -0.02 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 40.87 2ays h LEU 533 CO -0.11 0.92 0.53 0.00 -0.34 0.00 0.00 178.44 179.44 2ays h ALA 534 N 0.38 1.74 -0.18 1.25 0.00 -0.41 0.16 119.26 122.20 2ays h ALA 534 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2ays h ALA 534 Cb 0.92 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2ays h ALA 534 CO 0.05 0.09 0.00 0.39 0.00 0.00 0.00 179.25 179.78 2ays n GLU 535 N -4.51 1.57 -2.37 0.00 1.02 -0.08 -4.90 120.64 111.38 2ays n GLU 535 Ca 0.13 -0.87 -0.19 0.00 -0.02 0.00 0.00 57.16 56.21 2ays n GLU 535 Cb 0.32 -1.31 -0.01 0.00 -0.02 0.00 0.00 31.44 30.42 2ays n GLU 535 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2ays n ASP 536 N 0.13 -5.56 0.06 1.62 8.00 0.54 -4.89 116.55 116.46 2ays n ASP 536 Ca 0.13 -0.02 -0.21 0.00 0.71 0.00 0.00 54.79 55.41 2ays n ASP 536 Cb 0.25 -4.60 -0.12 0.00 -0.02 0.00 0.00 41.12 36.63 2ays n ASP 536 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2ays h VAL 537 N 0.00 1.32 -1.72 2.53 2.07 -1.49 -3.46 116.25 115.49 2ays h VAL 537 Ca -0.46 -2.33 -0.59 0.00 0.82 0.00 0.00 66.70 64.14 2ays h VAL 537 Cb 1.34 2.62 -0.10 0.00 -1.52 0.00 0.00 31.29 33.63 2ays h VAL 537 CO 0.54 0.70 -0.56 -0.83 0.02 0.00 0.00 177.57 177.44 2ays s GLY 538 N -4.33 2.28 0.05 2.17 0.00 -0.96 -4.91 107.32 101.62 2ays s GLY 538 Ca -0.11 -2.11 0.16 0.00 0.00 0.00 0.00 44.72 42.67 2ays s GLY 538 CO 0.90 -1.95 0.81 -0.55 0.00 0.00 0.00 173.10 172.31 2ays h ASP 539 N 1.64 0.00 -4.13 1.64 3.32 -1.30 -3.42 116.42 114.17 2ays h ASP 539 Ca -0.43 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.43 2ays h ASP 539 Cb 1.25 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 40.55 2ays h ASP 539 CO 0.71 0.63 -0.59 0.54 -1.72 0.00 0.00 179.24 178.82 2ays s VAL 540 N -2.88 0.03 -0.04 -1.35 0.11 -1.05 -4.40 120.40 110.82 2ays s VAL 540 Ca -0.03 -0.23 0.06 0.00 -2.93 0.00 0.00 61.98 58.85 2ays s VAL 540 Cb 0.09 -0.22 -0.01 0.00 -1.53 0.00 0.00 36.38 34.70 2ays s VAL 540 CO 0.81 -0.13 -0.22 0.00 -3.33 0.00 0.00 175.10 172.24 2ays s ALA 541 N -0.38 1.87 -0.45 1.54 0.00 -0.54 -0.68 121.76 123.12 2ays s ALA 541 Ca -0.04 -0.91 -0.11 0.00 0.00 0.00 0.00 51.96 50.90 2ays s ALA 541 Cb -0.03 -0.56 0.09 0.00 0.00 0.00 0.00 23.12 22.62 2ays s ALA 541 CO 0.00 0.38 0.32 -0.06 0.00 0.00 0.00 175.76 176.41 2ays s PHE 542 N -0.21 3.34 0.00 0.00 0.08 -0.64 -1.02 117.98 119.52 2ays s PHE 542 Ca 0.00 -1.50 0.00 0.00 0.12 0.00 0.00 56.93 55.55 2ays s PHE 542 Cb -0.11 -3.20 0.00 0.00 -0.57 0.00 0.00 43.02 39.13 2ays s PHE 542 CO 0.02 -0.89 0.00 1.33 -0.10 0.00 0.00 175.22 175.58 2ays n VAL 543 N 4.99 0.00 -4.37 -0.44 0.24 -0.98 -3.95 118.33 113.83 2ays n VAL 543 Ca -0.10 0.00 -0.24 0.00 -2.04 0.00 0.00 64.34 61.95 2ays n VAL 543 Cb 0.42 0.00 -0.09 0.00 -1.47 0.00 0.00 33.84 32.70 2ays n VAL 543 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 2ays s LYS 544 N 1.40 2.03 0.21 7.34 -2.85 -1.26 -1.37 119.74 125.25 2ays s LYS 544 Ca 0.00 -1.73 -0.09 0.00 -1.00 0.00 0.00 55.97 53.15 2ays s LYS 544 Cb 0.00 -1.92 0.30 0.00 -2.06 0.00 0.00 37.83 34.16 2ays s LYS 544 CO 0.00 0.18 1.75 -0.97 0.10 0.00 0.00 175.35 176.41 2ays h ASN 545 N 1.89 0.25 -0.81 0.03 -1.24 -1.42 -2.62 115.58 111.67 2ays h ASN 545 Ca -0.43 0.08 0.05 0.00 0.71 0.00 0.00 56.30 56.72 2ays h ASN 545 Cb 1.25 0.05 -0.05 0.00 0.73 0.00 0.00 38.32 40.31 2ays h ASN 545 CO 0.66 0.14 0.53 0.44 -1.29 0.00 0.00 177.43 177.91 2ays h ASP 546 N 0.43 0.81 -0.66 1.15 5.19 -1.96 -2.72 116.42 118.66 2ays h ASP 546 Ca 0.32 -0.00 0.12 0.00 -0.62 0.00 0.00 57.03 56.85 2ays h ASP 546 Cb 0.41 -0.18 -0.09 0.00 0.18 0.00 0.00 39.33 39.65 2ays h ASP 546 CO -0.31 0.54 0.21 0.74 -3.12 0.00 0.00 179.24 177.30 2ays h THR 547 N 0.93 0.67 -0.24 0.35 2.02 -1.87 0.15 112.91 114.92 2ays h THR 547 Ca 0.34 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 67.39 2ays h THR 547 Cb 0.15 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 66.83 2ays h THR 547 CO -0.11 0.07 0.11 0.58 0.37 0.00 0.00 175.52 176.54 2ays h VAL 548 N 0.36 1.14 -0.45 3.16 2.07 -1.60 -2.45 116.25 118.48 2ays h VAL 548 Ca 0.35 -0.40 -0.07 0.00 0.82 0.00 0.00 66.70 67.40 2ays h VAL 548 Cb 0.51 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 2ays h VAL 548 CO -0.39 0.14 -0.01 -0.50 0.02 0.00 0.00 177.57 176.83 2ays h TRP 549 N 0.25 0.79 0.00 1.57 4.06 -1.48 -3.08 115.95 118.06 2ays h TRP 549 Ca 0.08 -0.11 0.00 0.00 2.06 0.00 0.00 58.89 60.92 2ays h TRP 549 Cb 0.11 -0.22 0.00 0.00 -1.00 0.00 0.00 29.16 28.06 2ays h TRP 549 CO -0.02 0.74 0.00 0.93 -3.56 0.00 0.00 178.44 176.53 2ays h GLU 550 N 0.69 0.00 -0.02 0.49 5.08 -0.74 -3.22 114.58 116.86 2ays h GLU 550 Ca 0.14 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 2ays h GLU 550 Cb 0.44 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 2ays h GLU 550 CO 0.02 0.00 -0.24 0.09 -1.00 0.00 0.00 179.01 177.88 2ays n ASN 551 N -2.57 2.08 -4.23 1.42 3.02 -0.94 -3.70 115.26 110.33 2ays n ASN 551 Ca 0.03 -3.51 -0.13 0.00 -0.03 0.00 0.00 54.58 50.94 2ays n ASN 551 Cb 0.36 -0.49 -0.10 0.00 -0.61 0.00 0.00 39.78 38.94 2ays n ASN 551 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2ays s THR 552 N -3.07 0.41 -1.54 3.41 -4.23 -1.19 -4.78 115.64 104.65 2ays s THR 552 Ca 0.36 -1.97 -0.12 0.00 -1.18 0.00 0.00 61.69 58.77 2ays s THR 552 Cb 0.33 -2.30 0.09 0.00 1.34 0.00 0.00 72.50 71.95 2ays s THR 552 CO -0.02 -0.27 0.83 0.59 -0.54 0.00 0.00 174.62 175.21 2ays n ASN 553 N -0.27 -3.40 0.00 3.99 4.13 0.28 -1.45 115.26 118.53 2ays n ASN 553 Ca -0.03 -0.88 0.00 0.00 1.68 0.00 0.00 54.58 55.35 2ays n ASN 553 Cb 0.65 -3.47 0.00 0.00 -1.54 0.00 0.00 39.78 35.41 2ays n ASN 553 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2ays n GLY 554 N -1.63 0.70 0.25 7.41 0.00 -1.26 -4.92 105.19 105.74 2ays n GLY 554 Ca -0.03 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.13 2ays n GLY 554 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2ays h GLU 555 N 1.83 0.00 0.00 1.61 4.39 -1.50 -3.37 114.58 117.54 2ays h GLU 555 Ca 0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 2ays h GLU 555 Cb 0.02 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.66 2ays h GLU 555 CO 0.00 0.06 -1.40 0.45 -1.16 0.00 0.00 179.01 176.96 2ays n SER 556 N -3.16 3.11 0.00 1.42 2.88 -1.24 -4.90 113.62 111.72 2ays n SER 556 Ca 0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 2ays n SER 556 Cb 0.39 1.27 0.00 0.00 -0.75 0.00 0.00 64.21 65.12 2ays n SER 556 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2ays n THR 557 N -1.86 0.00 -2.28 2.46 -2.24 -1.26 -4.90 114.28 104.20 2ays n THR 557 Ca -0.03 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.34 2ays n THR 557 Cb 0.30 -0.08 -0.03 0.00 -2.10 0.00 0.00 70.33 68.41 2ays n THR 557 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ays s ALA 558 N -0.91 3.45 0.40 6.98 0.00 -1.26 -4.72 121.76 125.70 2ays s ALA 558 Ca 0.00 1.09 0.21 0.00 0.00 0.00 0.00 51.96 53.27 2ays s ALA 558 Cb 0.00 -3.41 1.21 0.00 0.00 0.00 0.00 23.12 20.92 2ays s ALA 558 CO 0.00 -0.42 1.69 0.38 0.00 0.00 0.00 175.76 177.41 2ays h ASP 559 N 3.57 0.40 1.54 0.00 2.03 -2.00 0.34 116.42 122.30 2ays h ASP 559 Ca -0.48 0.13 0.00 0.00 -0.73 0.00 0.00 57.03 55.95 2ays h ASP 559 Cb 1.22 0.08 0.00 0.00 -0.83 0.00 0.00 39.33 39.80 2ays h ASP 559 CO 0.66 -0.06 -0.22 4.11 -1.03 0.00 0.00 179.24 182.70 2ays h TRP 560 N 0.28 0.00 -0.00 4.15 5.08 -2.00 -3.34 115.95 120.12 2ays h TRP 560 Ca 0.71 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.68 2ays h TRP 560 Cb 1.91 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 28.07 2ays h TRP 560 CO -0.01 0.00 -0.02 0.00 -1.28 0.00 0.00 178.44 177.14 2ays n ALA 561 N -1.97 2.36 -0.25 0.11 0.00 0.54 -4.74 120.51 116.55 2ays n ALA 561 Ca 0.04 -0.32 0.05 0.00 0.00 0.00 0.00 53.44 53.20 2ays n ALA 561 Cb 0.49 -0.04 0.16 0.00 0.00 0.00 0.00 19.45 20.06 2ays n ALA 561 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2ays h LYS 562 N 0.13 0.12 -0.69 0.00 1.57 -0.61 -2.42 116.57 114.67 2ays h LYS 562 Ca 0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2ays h LYS 562 Cb 0.04 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.32 2ays h LYS 562 CO 0.00 0.08 0.00 0.09 -0.57 0.00 0.00 179.45 179.05 2ays n ASN 563 N -5.32 3.76 -4.73 0.86 3.02 -1.26 -4.37 115.26 107.21 2ays n ASN 563 Ca 0.13 -2.03 -0.41 0.00 -0.03 0.00 0.00 54.58 52.24 2ays n ASN 563 Cb 0.47 -0.47 -0.05 0.00 -0.61 0.00 0.00 39.78 39.12 2ays n ASN 563 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2ays s LEU 564 N -1.06 4.53 -0.10 3.41 1.43 -0.91 -4.98 118.68 121.00 2ays s LEU 564 Ca 0.46 1.89 0.03 0.00 -1.03 0.00 0.00 54.13 55.49 2ays s LEU 564 Cb 0.25 -3.60 -0.01 0.00 0.03 0.00 0.00 46.19 42.86 2ays s LEU 564 CO 0.31 -0.06 -0.20 -0.75 0.23 0.00 0.00 176.35 175.88 2ays s LYS 565 N -0.32 3.08 0.38 1.70 2.36 -1.26 -0.56 119.74 125.12 2ays s LYS 565 Ca 0.46 -0.81 0.15 0.00 -2.55 0.00 0.00 55.97 53.23 2ays s LYS 565 Cb -0.25 -2.40 1.02 0.00 -1.05 0.00 0.00 37.83 35.14 2ays s LYS 565 CO 0.31 0.24 1.80 0.00 1.55 0.00 0.00 175.35 179.25 2ays h ARG 566 N 6.56 0.47 0.00 4.03 3.08 -1.92 -0.33 114.38 126.26 2ays h ARG 566 Ca -0.24 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.78 2ays h ARG 566 Cb 1.22 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.16 2ays h ARG 566 CO 0.50 0.31 0.00 1.49 -1.07 0.00 0.00 179.97 181.20 2ays h GLU 567 N 0.48 0.00 -0.04 0.04 4.22 -2.02 -2.16 114.58 115.11 2ays h GLU 567 Ca 0.56 0.00 0.00 0.00 0.08 0.00 0.00 59.36 60.00 2ays h GLU 567 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 2ays h GLU 567 CO -0.28 0.00 0.00 -0.25 -2.18 0.00 0.00 179.01 176.30 2ays n ASP 568 N -2.73 0.38 -4.35 1.04 8.00 -0.13 -4.81 116.55 113.93 2ays n ASP 568 Ca -0.00 -1.48 -0.26 0.00 0.71 0.00 0.00 54.79 53.76 2ays n ASP 568 Cb 0.19 -0.02 -0.12 0.00 -0.02 0.00 0.00 41.12 41.14 2ays n ASP 568 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2ays s PHE 569 N -1.95 2.06 0.09 1.24 0.08 -0.81 -0.46 117.98 118.23 2ays s PHE 569 Ca 0.29 -0.40 0.04 0.00 0.12 0.00 0.00 56.93 56.97 2ays s PHE 569 Cb 0.14 -1.09 -0.03 0.00 -0.57 0.00 0.00 43.02 41.47 2ays s PHE 569 CO 0.23 0.33 -0.10 1.03 -0.10 0.00 0.00 175.22 176.60 2ays s ARG 570 N -2.26 0.83 -0.01 0.44 1.81 -0.39 -4.40 118.95 114.97 2ays s ARG 570 Ca 0.13 -1.12 -0.07 0.00 -1.72 0.00 0.00 55.73 52.96 2ays s ARG 570 Cb -0.09 -0.56 -0.05 0.00 -0.45 0.00 0.00 34.95 33.81 2ays s ARG 570 CO 0.06 0.09 0.25 -0.51 -0.68 0.00 0.00 175.30 174.52 2ays s LEU 571 N -2.33 4.38 -0.19 2.53 1.43 0.35 -0.39 118.68 124.47 2ays s LEU 571 Ca 0.04 0.55 -0.15 0.00 -1.03 0.00 0.00 54.13 53.54 2ays s LEU 571 Cb -0.04 -2.60 -0.04 0.00 0.03 0.00 0.00 46.19 43.54 2ays s LEU 571 CO 0.00 0.27 0.37 -0.76 0.23 0.00 0.00 176.35 176.47 2ays s LEU 572 N -1.65 4.19 0.16 1.79 1.43 0.55 -2.07 118.68 123.06 2ays s LEU 572 Ca 0.26 0.52 -0.01 0.00 -1.03 0.00 0.00 54.13 53.87 2ays s LEU 572 Cb -0.13 -2.48 -0.04 0.00 0.03 0.00 0.00 46.19 43.57 2ays s LEU 572 CO 0.15 -0.02 0.34 0.00 0.23 0.00 0.00 176.35 177.05 2ays h LEU 574 N 2.39 0.00 -0.73 0.00 3.38 -1.87 -2.57 115.31 115.90 2ays h LEU 574 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 2ays h LEU 574 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 2ays h LEU 574 CO 0.70 0.00 0.00 -0.90 0.09 0.00 0.00 178.44 178.33 2ays n ASP 575 N -2.97 1.03 0.00 -0.43 5.75 -1.26 -4.89 116.55 113.77 2ays n ASP 575 Ca -0.00 -2.03 0.00 0.00 -0.01 0.00 0.00 54.79 52.75 2ays n ASP 575 Cb 0.23 -0.17 0.00 0.00 -1.03 0.00 0.00 41.12 40.14 2ays n ASP 575 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2ays n GLY 576 N 0.65 0.62 3.85 6.12 0.00 -0.97 -5.06 105.19 110.40 2ays n GLY 576 Ca 0.05 -0.14 -0.21 0.00 0.00 0.00 0.00 46.02 45.72 2ays n GLY 576 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ays s THR 577 N -2.00 3.57 -0.04 2.61 2.01 -1.26 -4.79 115.64 115.74 2ays s THR 577 Ca 0.00 -1.38 0.05 0.00 0.31 0.00 0.00 61.69 60.68 2ays s THR 577 Cb 0.00 -3.19 -0.01 0.00 0.01 0.00 0.00 72.50 69.31 2ays s THR 577 CO 0.00 -0.18 -0.20 -0.13 -0.69 0.00 0.00 174.62 173.42 2ays s ARG 578 N -3.99 1.87 0.11 4.92 0.52 -1.26 -1.56 118.95 119.56 2ays s ARG 578 Ca 0.40 -0.70 0.02 0.00 -0.52 0.00 0.00 55.73 54.94 2ays s ARG 578 Cb -0.06 -1.67 -0.04 0.00 0.52 0.00 0.00 34.95 33.70 2ays s ARG 578 CO 0.26 0.34 -0.08 0.15 0.02 0.00 0.00 175.30 175.99 2ays s LYS 579 N -0.18 0.88 0.79 3.54 1.02 -0.88 -4.95 119.74 119.96 2ays s LYS 579 Ca 0.00 -1.34 -0.13 0.00 0.02 0.00 0.00 55.97 54.53 2ays s LYS 579 Cb -0.11 -0.32 0.07 0.00 -0.52 0.00 0.00 37.83 36.96 2ays s LYS 579 CO 0.01 0.01 1.16 -2.14 -0.92 0.00 0.00 175.35 173.48 2ays s PRO 580 N -3.70 1.84 0.00 -1.68 0.02 -1.26 -0.49 135.00 129.72 2ays s PRO 580 Ca 0.12 1.58 0.10 0.00 0.02 0.00 0.00 61.00 62.82 2ays s PRO 580 Cb 0.04 -1.82 0.43 0.00 0.02 0.00 0.00 34.50 33.17 2ays s PRO 580 CO -0.03 -2.03 1.32 1.33 -0.33 0.00 0.00 177.00 177.26 2ays n VAL 581 N -3.31 1.32 0.53 3.83 0.24 -1.26 -1.20 118.33 118.48 2ays n VAL 581 Ca 0.12 0.33 0.12 0.00 -2.04 0.00 0.00 64.34 62.87 2ays n VAL 581 Cb 0.51 -1.16 0.45 0.00 -1.47 0.00 0.00 33.84 32.17 2ays n VAL 581 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2ays n THR 582 N -1.51 0.69 -1.31 3.34 -2.24 -1.26 -3.68 114.28 108.32 2ays n THR 582 Ca 0.02 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.57 2ays n THR 582 Cb 0.12 -0.88 0.15 0.00 -2.10 0.00 0.00 70.33 67.62 2ays n THR 582 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2ays n GLU 583 N -2.17 2.34 0.06 -0.78 4.71 -0.34 -4.68 120.64 119.78 2ays n GLU 583 Ca 0.04 -3.13 0.00 0.00 -0.01 0.00 0.00 57.16 54.06 2ays n GLU 583 Cb 0.32 -2.16 0.31 0.00 -1.01 0.00 0.00 31.44 28.90 2ays n GLU 583 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2ays h ALA 584 N 1.27 1.36 0.00 0.62 0.00 -1.77 -1.08 119.26 119.66 2ays h ALA 584 Ca 0.57 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 2ays h ALA 584 Cb 2.20 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.88 2ays h ALA 584 CO 1.12 0.44 -0.05 0.37 0.00 0.00 0.00 179.25 181.13 2ays h GLN 585 N 0.34 0.00 -0.30 0.00 5.75 -1.92 -2.08 115.11 116.90 2ays h GLN 585 Ca 0.07 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.57 2ays h GLN 585 Cb 0.45 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.00 2ays h GLN 585 CO 0.03 0.05 0.00 -1.13 -2.65 0.00 0.00 178.83 175.12 2ays n SER 586 N -3.42 2.80 -2.99 -0.69 3.41 -0.47 -4.78 113.62 107.48 2ays n SER 586 Ca -0.02 -1.99 -0.16 0.00 -0.26 0.00 0.00 58.87 56.44 2ays n SER 586 Cb 0.17 -0.20 -0.00 0.00 -0.26 0.00 0.00 64.21 63.92 2ays n SER 586 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ays s HIS 588 N -0.67 1.65 -0.02 0.00 -0.00 -1.23 -4.73 115.29 110.29 2ays s HIS 588 Ca 0.33 -0.90 -0.00 0.00 -0.00 0.00 0.00 55.06 54.49 2ays s HIS 588 Cb 0.24 -0.96 -0.26 0.00 -0.00 0.00 0.00 32.58 31.60 2ays s HIS 588 CO -0.13 0.00 0.77 -0.07 -0.00 0.00 0.00 174.74 175.31 2ays h LEU 589 N 2.41 0.31 -7.23 5.38 3.38 -0.93 -3.43 115.31 115.20 2ays h LEU 589 Ca -0.39 -0.48 0.34 0.00 0.09 0.00 0.00 57.88 57.44 2ays h LEU 589 Cb 1.23 -0.10 -0.12 0.00 0.09 0.00 0.00 40.66 41.76 2ays h LEU 589 CO 0.65 1.41 0.86 0.00 0.09 0.00 0.00 178.44 181.46 2ays s ALA 590 N -2.61 -2.30 -0.19 1.53 0.00 -1.23 -5.02 121.76 111.94 2ays s ALA 590 Ca -0.10 0.70 -0.06 0.00 0.00 0.00 0.00 51.96 52.50 2ays s ALA 590 Cb 0.07 0.37 -0.03 0.00 0.00 0.00 0.00 23.12 23.53 2ays s ALA 590 CO 0.83 -1.06 0.03 0.54 0.00 0.00 0.00 175.76 176.10 2ays s VAL 591 N -2.33 4.38 -0.05 0.00 0.11 -1.26 -0.95 120.40 120.30 2ays s VAL 591 Ca 0.15 -0.17 -0.04 0.00 -2.93 0.00 0.00 61.98 58.99 2ays s VAL 591 Cb 0.05 -2.98 -0.04 0.00 -1.53 0.00 0.00 36.38 31.89 2ays s VAL 591 CO -0.04 0.44 0.15 0.00 -3.33 0.00 0.00 175.10 172.32 2ays s ALA 592 N 0.65 3.85 0.34 1.54 0.00 0.12 -4.90 121.76 123.36 2ays s ALA 592 Ca 0.01 -0.73 -0.28 0.00 0.00 0.00 0.00 51.96 50.96 2ays s ALA 592 Cb -0.14 -1.86 -0.10 0.00 0.00 0.00 0.00 23.12 21.03 2ays s ALA 592 CO 0.02 0.69 1.26 -2.14 0.00 0.00 0.00 175.76 175.58 2ays s PRO 593 N -1.52 4.33 0.70 0.00 0.02 -1.26 -1.07 135.00 136.19 2ays s PRO 593 Ca 0.21 2.10 -0.16 0.00 0.02 0.00 0.00 61.00 63.17 2ays s PRO 593 Cb -0.12 -3.01 0.01 0.00 0.02 0.00 0.00 34.50 31.39 2ays s PRO 593 CO 0.12 -0.17 1.14 0.09 -0.33 0.00 0.00 177.00 177.84 2ays n ASN 594 N 0.71 1.23 -4.74 2.53 3.02 -1.26 -4.49 115.26 112.26 2ays n ASN 594 Ca 0.01 0.73 -0.37 0.00 -0.03 0.00 0.00 54.58 54.91 2ays n ASN 594 Cb 0.43 -1.48 0.05 0.00 -0.61 0.00 0.00 39.78 38.17 2ays n ASN 594 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 2ays s HIS 595 N -1.67 2.19 0.04 3.10 3.76 -1.26 -4.66 115.29 116.78 2ays s HIS 595 Ca 0.77 1.44 -0.09 0.00 -0.15 0.00 0.00 55.06 57.03 2ays s HIS 595 Cb -0.36 -3.72 0.00 0.00 1.11 0.00 0.00 32.58 29.62 2ays s HIS 595 CO 0.46 -2.86 0.20 0.00 -0.85 0.00 0.00 174.74 171.68 2ays s ALA 596 N -1.37 -0.37 -0.01 -1.40 0.00 -0.62 -1.01 121.76 116.98 2ays s ALA 596 Ca 0.78 -0.25 -0.30 0.00 0.00 0.00 0.00 51.96 52.18 2ays s ALA 596 Cb -0.38 0.27 -0.03 0.00 0.00 0.00 0.00 23.12 22.97 2ays s ALA 596 CO 0.42 -0.35 1.05 0.08 0.00 0.00 0.00 175.76 176.97 2ays s VAL 597 N -2.46 4.62 0.25 0.00 1.01 0.21 -0.10 120.40 123.94 2ays s VAL 597 Ca -0.06 1.88 0.11 0.00 0.00 0.00 0.00 61.98 63.92 2ays s VAL 597 Cb -0.02 -4.21 -0.05 0.00 0.00 0.00 0.00 36.38 32.11 2ays s VAL 597 CO -0.03 0.11 -0.15 0.68 0.00 0.00 0.00 175.10 175.71 2ays s VAL 598 N 1.28 2.75 0.32 2.92 -7.23 -0.61 0.60 120.40 120.44 2ays s VAL 598 Ca 0.53 -2.15 -0.14 0.00 -1.81 0.00 0.00 61.98 58.41 2ays s VAL 598 Cb -0.23 -2.42 0.02 0.00 0.56 0.00 0.00 36.38 34.31 2ays s VAL 598 CO 0.26 -0.31 0.65 -0.94 -0.31 0.00 0.00 175.10 174.44 2ays s SER 599 N -3.33 0.09 0.32 4.85 1.04 -0.73 -3.13 113.70 112.81 2ays s SER 599 Ca 0.28 -1.03 -0.29 0.00 0.48 0.00 0.00 55.95 55.39 2ays s SER 599 Cb -0.06 0.73 -0.10 0.00 0.10 0.00 0.00 66.02 66.68 2ays s SER 599 CO 0.15 -1.41 1.36 -0.13 0.98 0.00 0.00 173.24 174.19 2ays s ARG 600 N -3.21 4.30 0.45 4.02 0.52 -1.26 -0.76 118.95 123.01 2ays s ARG 600 Ca 0.19 2.28 0.11 0.00 -0.52 0.00 0.00 55.73 57.79 2ays s ARG 600 Cb -0.03 -3.06 1.00 0.00 0.52 0.00 0.00 34.95 33.37 2ays s ARG 600 CO 0.11 -0.28 2.07 0.66 0.02 0.00 0.00 175.30 177.88 2ays h SER 601 N 3.67 0.26 0.60 0.23 4.64 -1.92 0.34 113.55 121.36 2ays h SER 601 Ca -0.49 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 2ays h SER 601 Cb 1.23 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 2ays h SER 601 CO 0.68 0.23 0.00 -0.90 -0.87 0.00 0.00 176.83 175.96 2ays n ASP 602 N -4.47 0.67 -0.45 4.97 5.75 -1.26 -2.44 116.55 119.33 2ays n ASP 602 Ca 0.00 0.69 0.08 0.00 -0.01 0.00 0.00 54.79 55.55 2ays n ASP 602 Cb 0.10 -0.83 0.02 0.00 -1.03 0.00 0.00 41.12 39.39 2ays n ASP 602 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2ays n ARG 603 N -2.27 1.56 -0.22 0.11 5.12 0.11 -4.76 116.66 116.30 2ays n ARG 603 Ca 0.01 -1.01 0.01 0.00 -1.93 0.00 0.00 57.85 54.93 2ays n ARG 603 Cb 0.19 -1.26 0.12 0.00 -1.16 0.00 0.00 32.46 30.36 2ays n ARG 603 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2ays h ALA 604 N 2.79 0.85 -0.65 7.54 0.00 -1.02 -1.65 119.26 127.12 2ays h ALA 604 Ca 0.00 0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 2ays h ALA 604 Cb 0.56 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 2ays h ALA 604 CO 0.00 -0.18 0.14 0.00 0.00 0.00 0.00 179.25 179.21 2ays h ALA 605 N 1.44 1.02 -0.25 0.00 0.00 -1.86 -0.77 119.26 118.84 2ays h ALA 605 Ca 0.33 -0.24 -0.20 0.00 0.00 0.00 0.00 54.91 54.80 2ays h ALA 605 Cb 0.42 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2ays h ALA 605 CO -0.32 0.64 -0.62 1.25 0.00 0.00 0.00 179.25 180.20 2ays h HIS 606 N 0.99 1.08 -0.59 0.00 6.17 -1.77 -2.30 115.15 118.72 2ays h HIS 606 Ca 0.21 -0.41 -0.03 0.00 0.71 0.00 0.00 60.37 60.84 2ays h HIS 606 Cb 0.37 -0.19 -0.03 0.00 2.52 0.00 0.00 27.41 30.08 2ays h HIS 606 CO 0.03 1.24 0.25 0.28 0.71 0.00 0.00 177.93 180.44 2ays h VAL 607 N 0.62 1.22 -0.10 5.26 2.07 -1.07 -2.07 116.25 122.18 2ays h VAL 607 Ca -0.01 -0.67 -0.00 0.00 0.82 0.00 0.00 66.70 66.84 2ays h VAL 607 Cb 1.23 0.56 -0.00 0.00 -1.52 0.00 0.00 31.29 31.55 2ays h VAL 607 CO 0.13 0.27 0.06 -0.08 0.02 0.00 0.00 177.57 177.97 2ays h GLU 608 N 0.82 0.14 -0.23 1.57 4.81 -1.07 -1.47 114.58 119.15 2ays h GLU 608 Ca 0.20 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.47 2ays h GLU 608 Cb 0.18 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.47 2ays h GLU 608 CO -0.02 0.16 -0.11 0.37 -0.73 0.00 0.00 179.01 178.67 2ays h GLN 609 N 0.08 -0.08 -0.39 1.92 4.15 -1.25 -1.66 115.11 117.88 2ays h GLN 609 Ca 0.04 0.01 -0.07 0.00 0.77 0.00 0.00 58.65 59.40 2ays h GLN 609 Cb 0.06 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.75 2ays h GLN 609 CO -0.01 -0.06 -0.01 0.28 -1.93 0.00 0.00 178.83 177.11 2ays h VAL 610 N -0.09 1.26 -0.68 2.39 2.07 -1.21 -2.96 116.25 117.02 2ays h VAL 610 Ca 0.13 -1.03 -0.04 0.00 0.82 0.00 0.00 66.70 66.58 2ays h VAL 610 Cb 0.28 1.15 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 2ays h VAL 610 CO -0.29 0.35 0.28 -0.07 0.02 0.00 0.00 177.57 177.85 2ays h LEU 611 N 0.52 0.94 -0.91 2.57 4.07 -1.08 0.19 115.31 121.61 2ays h LEU 611 Ca 0.11 -0.17 0.08 0.00 0.08 0.00 0.00 57.88 57.98 2ays h LEU 611 Cb 0.49 -0.24 -0.07 0.00 1.08 0.00 0.00 40.66 41.92 2ays h LEU 611 CO 0.02 0.85 0.56 -0.07 -1.08 0.00 0.00 178.44 178.73 2ays h LEU 612 N 0.97 0.86 -0.24 1.67 3.38 -1.23 -0.57 115.31 120.15 2ays h LEU 612 Ca 0.23 0.03 -0.10 0.00 0.09 0.00 0.00 57.88 58.13 2ays h LEU 612 Cb 0.20 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 2ays h LEU 612 CO -0.02 0.52 -0.23 -0.74 0.09 0.00 0.00 178.44 178.07 2ays h HIS 613 N 0.98 0.69 -0.73 1.13 2.76 -1.29 -2.77 115.15 115.92 2ays h HIS 613 Ca 0.42 -0.20 0.05 0.00 -2.20 0.00 0.00 60.37 58.43 2ays h HIS 613 Cb 0.27 -0.15 -0.04 0.00 1.55 0.00 0.00 27.41 29.04 2ays h HIS 613 CO -0.03 0.90 0.48 1.96 -1.30 0.00 0.00 177.93 179.94 2ays h GLN 614 N 0.28 0.79 0.00 5.26 1.08 -0.52 -1.85 115.11 120.14 2ays h GLN 614 Ca 0.04 -0.05 -0.05 0.00 -1.45 0.00 0.00 58.65 57.14 2ays h GLN 614 Cb 0.78 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 28.03 2ays h GLN 614 CO 0.06 0.52 -0.22 -0.56 -0.95 0.00 0.00 178.83 177.67 2ays h GLN 615 N 0.81 0.00 0.00 1.46 3.07 -1.01 0.76 115.11 120.21 2ays h GLN 615 Ca 0.30 0.00 -0.08 0.00 0.09 0.00 0.00 58.65 58.96 2ays h GLN 615 Cb 0.17 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.72 2ays h GLN 615 CO -0.10 0.22 -0.39 0.00 0.09 0.00 0.00 178.83 178.66 2ays h ALA 616 N 1.78 1.32 0.08 0.06 0.00 -1.06 0.82 119.26 122.26 2ays h ALA 616 Ca -0.00 -0.35 -0.31 0.00 0.00 0.00 0.00 54.91 54.24 2ays h ALA 616 Cb 1.05 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 2ays h ALA 616 CO 0.03 0.49 -1.67 -0.07 0.00 0.00 0.00 179.25 178.02 2ays h LEU 617 N 0.00 0.28 -0.45 0.00 3.38 -1.11 -2.47 115.31 114.94 2ays h LEU 617 Ca -0.00 -0.79 0.00 0.00 0.09 0.00 0.00 57.88 57.17 2ays h LEU 617 Cb 0.70 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.36 2ays h LEU 617 CO 0.05 1.71 -0.19 0.49 0.09 0.00 0.00 178.44 180.59 2ays n PHE 618 N -3.86 0.00 -0.32 1.13 3.72 0.23 -0.98 117.46 117.38 2ays n PHE 618 Ca -0.31 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.01 2ays n PHE 618 Cb 0.91 0.00 0.08 0.00 -0.94 0.00 0.00 39.48 39.52 2ays n PHE 618 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2ays n GLY 619 N 0.88 -3.24 0.29 1.37 0.00 0.28 -1.96 105.19 102.81 2ays n GLY 619 Ca 0.02 -1.34 0.06 0.00 0.00 0.00 0.00 46.02 44.76 2ays n GLY 619 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2ays h LYS 620 N 0.00 0.52 -1.14 1.61 3.64 -1.79 -2.51 116.57 116.90 2ays h LYS 620 Ca -0.11 -0.03 -0.54 0.00 -1.27 0.00 0.00 60.65 58.69 2ays h LYS 620 Cb 0.36 -0.12 -0.42 0.00 -0.41 0.00 0.00 32.23 31.64 2ays h LYS 620 CO 0.07 0.34 -0.81 0.09 -2.27 0.00 0.00 179.45 176.87 2ays n ASN 621 N -4.93 4.45 -4.89 4.20 5.03 -1.26 -4.93 115.26 112.92 2ays n ASN 621 Ca 0.16 -3.59 -0.29 0.00 0.87 0.00 0.00 54.58 51.72 2ays n ASN 621 Cb 0.42 -0.42 -0.03 0.00 -1.02 0.00 0.00 39.78 38.74 2ays n ASN 621 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 2ays s GLY 622 N -3.55 1.85 0.35 7.41 0.00 -0.95 -4.96 107.32 107.47 2ays s GLY 622 Ca 0.47 -0.32 0.14 0.00 0.00 0.00 0.00 44.72 45.01 2ays s GLY 622 CO -0.08 -0.15 1.59 0.50 0.00 0.00 0.00 173.10 174.97 2ays h LYS 623 N 1.15 0.06 0.00 2.90 6.56 -1.38 -2.22 116.57 123.64 2ays h LYS 623 Ca -0.47 -0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.11 2ays h LYS 623 Cb 1.19 -0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.84 2ays h LYS 623 CO 0.64 0.04 -0.04 0.09 -2.06 0.00 0.00 179.45 178.12 2ays n ASN 624 N -5.28 2.07 0.19 0.86 3.02 -0.15 -4.90 115.26 111.07 2ays n ASN 624 Ca 0.32 -2.79 -0.11 0.00 -0.03 0.00 0.00 54.58 51.98 2ays n ASN 624 Cb 1.08 -0.33 -0.06 0.00 -0.61 0.00 0.00 39.78 39.86 2ays n ASN 624 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ays h PRO 626 N -1.07 0.13 -0.19 0.00 0.11 -1.83 -2.97 132.00 126.18 2ays h PRO 626 Ca -0.06 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 66.00 2ays h PRO 626 Cb 0.51 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.59 2ays h PRO 626 CO 0.09 0.13 -0.02 -0.44 -0.21 0.00 0.00 178.00 177.54 2ays h ASP 627 N 0.09 0.36 0.00 -2.05 3.32 -1.89 -3.42 116.42 112.83 2ays h ASP 627 Ca 0.03 -0.34 0.00 0.00 0.02 0.00 0.00 57.03 56.74 2ays h ASP 627 Cb 0.03 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.48 2ays h ASP 627 CO -0.01 0.61 -0.32 0.29 -1.72 0.00 0.00 179.24 178.10 2ays n LYS 628 N -4.66 0.17 -3.79 3.56 5.02 -0.25 -5.09 118.16 113.11 2ays n LYS 628 Ca -0.05 0.07 -0.13 0.00 -2.02 0.00 0.00 58.31 56.18 2ays n LYS 628 Cb 0.25 -0.74 -0.12 0.00 -0.02 0.00 0.00 35.03 34.40 2ays n LYS 628 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 2ays s PHE 629 N -2.10 -0.24 -0.26 2.13 5.36 -0.88 -5.04 117.98 116.95 2ays s PHE 629 Ca -0.09 0.58 -0.02 0.00 -0.96 0.00 0.00 56.93 56.43 2ays s PHE 629 Cb 0.01 0.07 0.03 0.00 -0.34 0.00 0.00 43.02 42.79 2ays s PHE 629 CO 0.14 -0.12 -0.04 0.00 -1.46 0.00 0.00 175.22 173.73 2ays h LEU 631 N 8.03 0.64 -3.70 0.00 6.46 -1.72 -3.13 115.31 121.88 2ays h LEU 631 Ca -0.31 -0.01 -0.16 0.00 -0.12 0.00 0.00 57.88 57.27 2ays h LEU 631 Cb 1.10 -0.15 -0.10 0.00 -0.73 0.00 0.00 40.66 40.79 2ays h LEU 631 CO 0.57 0.45 0.20 0.49 -0.62 0.00 0.00 178.44 179.53 2ays n PHE 632 N -4.46 2.39 -4.31 1.25 3.72 -1.26 -4.76 117.46 110.02 2ays n PHE 632 Ca 0.07 -1.08 -0.25 0.00 -0.05 0.00 0.00 57.45 56.14 2ays n PHE 632 Cb 0.11 -0.65 -0.12 0.00 -0.94 0.00 0.00 39.48 37.87 2ays n PHE 632 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 2ays s LYS 633 N -2.94 1.20 -0.14 -1.08 3.01 -1.19 -4.32 119.74 114.28 2ays s LYS 633 Ca 0.55 -1.23 0.05 0.00 -1.01 0.00 0.00 55.97 54.34 2ays s LYS 633 Cb 0.44 -1.49 0.17 0.00 -1.01 0.00 0.00 37.83 35.93 2ays s LYS 633 CO 0.14 0.34 0.93 -1.13 0.51 0.00 0.00 175.35 176.15 2ays n SER 634 N 0.95 -0.63 -3.94 2.83 3.41 -1.26 -4.91 113.62 110.07 2ays n SER 634 Ca -0.18 -1.50 -0.32 0.00 -0.26 0.00 0.00 58.87 56.60 2ays n SER 634 Cb 0.54 0.29 -0.00 0.00 -0.26 0.00 0.00 64.21 64.78 2ays n SER 634 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 2ays n GLU 635 N -0.65 -1.77 -0.93 4.33 0.28 -1.26 -1.83 120.64 118.81 2ays n GLU 635 Ca -0.08 0.31 0.00 0.00 -0.16 0.00 0.00 57.16 57.23 2ays n GLU 635 Cb 0.66 -3.89 0.00 0.00 1.43 0.00 0.00 31.44 29.64 2ays n GLU 635 CO 0.00 0.00 0.00 -2.37 -0.16 0.00 0.00 177.13 174.60 2ays n THR 636 N -4.49 0.00 1.12 3.84 5.66 -1.26 -4.82 114.28 114.33 2ays n THR 636 Ca -0.21 0.00 0.12 0.00 -3.05 0.00 0.00 64.05 60.91 2ays n THR 636 Cb 0.64 -0.33 0.21 0.00 -1.55 0.00 0.00 70.33 69.30 2ays n THR 636 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2ays n LYS 637 N -1.62 0.77 -3.80 1.09 5.02 -0.76 -4.84 118.16 114.02 2ays n LYS 637 Ca 0.00 -0.54 -0.25 0.00 -2.02 0.00 0.00 58.31 55.51 2ays n LYS 637 Cb 0.13 -1.49 0.01 0.00 -0.02 0.00 0.00 35.03 33.66 2ays n LYS 637 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2ays n ASN 638 N -0.65 -1.59 -4.67 4.39 5.03 -1.26 -4.94 115.26 111.58 2ays n ASN 638 Ca 0.10 -0.93 -0.40 0.00 0.87 0.00 0.00 54.58 54.21 2ays n ASN 638 Cb 0.38 -3.53 -0.05 0.00 -1.02 0.00 0.00 39.78 35.56 2ays n ASN 638 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2ays s LEU 639 N -6.74 4.18 0.00 3.41 1.43 -1.26 -4.32 118.68 115.39 2ays s LEU 639 Ca 0.09 0.92 0.00 0.00 -1.03 0.00 0.00 54.13 54.11 2ays s LEU 639 Cb -0.03 -2.94 0.00 0.00 0.03 0.00 0.00 46.19 43.25 2ays s LEU 639 CO 0.85 -0.24 0.00 0.18 0.23 0.00 0.00 176.35 177.37 2ays n LEU 640 N 4.77 0.00 -4.09 1.79 4.77 -1.26 -4.79 117.00 118.19 2ays n LEU 640 Ca -0.01 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.89 2ays n LEU 640 Cb 0.50 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.49 2ays n LEU 640 CO 0.45 0.00 -0.37 -0.36 -1.33 0.00 0.00 177.39 175.78 2ays s PHE 641 N 0.00 0.57 0.31 -1.77 0.08 -1.26 -4.50 117.98 111.42 2ays s PHE 641 Ca 0.00 -0.94 -0.29 0.00 0.12 0.00 0.00 56.93 55.82 2ays s PHE 641 Cb 0.00 -0.39 -0.10 0.00 -0.57 0.00 0.00 43.02 41.96 2ays s PHE 641 CO 0.00 -0.29 1.28 -0.80 -0.10 0.00 0.00 175.22 175.31 2ays s ASN 642 N -2.70 6.84 0.58 1.36 0.01 -1.26 -4.46 114.94 115.31 2ays s ASN 642 Ca 0.04 2.61 0.27 0.00 -0.71 0.00 0.00 52.86 55.08 2ays s ASN 642 Cb 0.04 -2.64 1.72 0.00 0.41 0.00 0.00 41.25 40.78 2ays s ASN 642 CO -0.07 -0.49 2.23 0.44 -1.51 0.00 0.00 177.10 177.70 2ays h ASP 643 N 3.63 0.00 -0.23 -1.22 5.19 -1.90 -2.08 116.42 119.82 2ays h ASP 643 Ca -0.48 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.93 2ays h ASP 643 Cb 1.22 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.73 2ays h ASP 643 CO 0.67 0.01 0.00 -0.46 -3.12 0.00 0.00 179.24 176.34 2ays n ASN 644 N -3.95 1.68 -4.69 6.45 0.23 -1.26 -4.78 115.26 108.94 2ays n ASN 644 Ca -0.03 -2.09 -0.42 0.00 -0.53 0.00 0.00 54.58 51.51 2ays n ASN 644 Cb 0.09 -0.28 -0.03 0.00 -2.08 0.00 0.00 39.78 37.48 2ays n ASN 644 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 2ays s THR 645 N -1.65 3.95 -0.06 5.53 2.01 -0.78 -4.39 115.64 120.24 2ays s THR 645 Ca 0.17 1.32 -0.17 0.00 0.31 0.00 0.00 61.69 63.32 2ays s THR 645 Cb 0.10 -3.85 -0.30 0.00 0.01 0.00 0.00 72.50 68.46 2ays s THR 645 CO 0.09 0.01 0.72 -0.08 -0.69 0.00 0.00 174.62 174.67 2ays h GLU 646 N 7.60 0.32 -2.96 4.92 4.81 -0.94 -3.46 114.58 124.85 2ays h GLU 646 Ca -0.37 -0.55 0.05 0.00 -0.13 0.00 0.00 59.36 58.37 2ays h GLU 646 Cb 1.17 0.20 -0.04 0.00 0.63 0.00 0.00 28.75 30.72 2ays h GLU 646 CO 0.89 1.26 0.26 0.00 -0.73 0.00 0.00 179.01 180.69 2ays s LEU 648 N -2.97 4.26 0.07 0.00 1.43 -1.26 -0.79 118.68 119.43 2ays s LEU 648 Ca 0.12 0.57 0.05 0.00 -1.03 0.00 0.00 54.13 53.85 2ays s LEU 648 Cb -0.06 -2.42 -0.04 0.00 0.03 0.00 0.00 46.19 43.71 2ays s LEU 648 CO 0.08 0.11 -0.07 0.00 0.23 0.00 0.00 176.35 176.70 2ays s ALA 649 N 0.36 3.05 0.58 4.21 0.00 0.10 -4.57 121.76 125.50 2ays s ALA 649 Ca 0.18 -1.15 -0.17 0.00 0.00 0.00 0.00 51.96 50.82 2ays s ALA 649 Cb -0.13 -1.03 -0.04 0.00 0.00 0.00 0.00 23.12 21.92 2ays s ALA 649 CO 0.05 0.65 1.08 0.15 0.00 0.00 0.00 175.76 177.69 2ays s LYS 650 N -2.02 3.27 -0.18 0.00 1.02 0.24 -1.27 119.74 120.80 2ays s LYS 650 Ca 0.21 1.36 -0.22 0.00 0.02 0.00 0.00 55.97 57.35 2ays s LYS 650 Cb -0.11 -2.02 -0.19 0.00 -0.52 0.00 0.00 37.83 34.99 2ays s LYS 650 CO 0.13 -0.87 0.34 -0.07 -0.92 0.00 0.00 175.35 173.96 2ays h LEU 651 N 0.68 0.00 -1.12 3.17 3.38 -1.89 -3.46 115.31 116.06 2ays h LEU 651 Ca -0.48 -0.59 0.00 0.00 0.09 0.00 0.00 57.88 56.90 2ays h LEU 651 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 2ays h LEU 651 CO 0.57 1.23 0.00 0.61 0.09 0.00 0.00 178.44 180.94 2ays n GLY 652 N 1.52 -3.09 1.37 0.83 0.00 -1.26 -4.77 105.19 99.79 2ays n GLY 652 Ca -0.22 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.03 2ays n GLY 652 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ays n GLY 653 N 0.24 0.74 3.68 -0.02 0.00 -1.26 -4.52 105.19 104.05 2ays n GLY 653 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 2ays n GLY 653 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ays n ARG 654 N -2.38 -0.67 -2.27 1.61 5.12 -1.26 -4.77 116.66 112.04 2ays n ARG 654 Ca 0.00 -0.04 -0.36 0.00 -1.93 0.00 0.00 57.85 55.52 2ays n ARG 654 Cb 0.00 -0.88 -0.01 0.00 -1.16 0.00 0.00 32.46 30.42 2ays n ARG 654 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 2ays s PRO 655 N -5.41 3.58 0.97 5.56 0.04 -1.26 -5.04 135.00 133.43 2ays s PRO 655 Ca 0.17 1.69 -0.15 0.00 0.04 0.00 0.00 61.00 62.75 2ays s PRO 655 Cb -0.10 -2.22 0.18 0.00 0.04 0.00 0.00 34.50 32.41 2ays s PRO 655 CO 0.48 -0.68 1.23 0.95 0.04 0.00 0.00 177.00 179.03 2ays s THR 656 N -1.66 1.94 0.37 1.26 -4.23 -1.26 -4.73 115.64 107.32 2ays s THR 656 Ca 0.68 0.00 0.11 0.00 -1.18 0.00 0.00 61.69 61.29 2ays s THR 656 Cb -0.26 -2.88 0.11 0.00 1.34 0.00 0.00 72.50 70.82 2ays s THR 656 CO 0.31 0.00 1.85 0.10 -0.54 0.00 0.00 174.62 176.34 2ays h TYR 657 N -1.67 0.14 -0.38 3.99 -0.00 -1.95 -0.33 116.97 116.77 2ays h TYR 657 Ca -0.46 -0.02 -0.12 0.00 0.00 0.00 0.00 58.73 58.13 2ays h TYR 657 Cb 1.28 -0.04 -0.01 0.00 0.00 0.00 0.00 36.73 37.96 2ays h TYR 657 CO -0.82 0.40 -0.23 0.93 -0.00 0.00 0.00 178.16 178.43 2ays h GLU 658 N 0.12 0.84 -0.61 0.10 5.08 -1.96 -0.99 114.58 117.16 2ays h GLU 658 Ca 0.02 -0.39 -0.06 0.00 -1.00 0.00 0.00 59.36 57.93 2ays h GLU 658 Cb 0.55 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.76 2ays h GLU 658 CO 0.04 1.02 0.14 0.93 -1.00 0.00 0.00 179.01 180.15 2ays h GLU 659 N 0.64 0.95 -0.19 2.33 5.08 -1.81 -0.35 114.58 121.23 2ays h GLU 659 Ca 0.08 -0.21 -0.04 0.00 -1.00 0.00 0.00 59.36 58.19 2ays h GLU 659 Cb 0.80 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 2ays h GLU 659 CO 0.07 0.85 -0.03 -0.92 -1.00 0.00 0.00 179.01 177.97 2ays h TYR 660 N 0.91 0.40 -0.16 4.33 3.20 -0.87 -3.06 116.97 121.71 2ays h TYR 660 Ca 0.19 -0.08 -0.15 0.00 3.14 0.00 0.00 58.73 61.83 2ays h TYR 660 Cb 0.33 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.49 2ays h TYR 660 CO 0.02 0.60 -0.54 -0.07 -1.64 0.00 0.00 178.16 176.53 2ays h LEU 661 N 0.09 0.51 0.00 2.82 3.38 -1.19 -3.48 115.31 117.43 2ays h LEU 661 Ca 0.05 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.75 2ays h LEU 661 Cb 0.46 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2ays h LEU 661 CO 0.02 0.95 0.00 0.61 0.09 0.00 0.00 178.44 180.10 2ays n GLY 662 N 0.20 0.21 0.30 0.83 0.00 -0.14 -4.46 105.19 102.13 2ays n GLY 662 Ca -0.03 -1.58 -0.03 0.00 0.00 0.00 0.00 46.02 44.38 2ays n GLY 662 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2ays h THR 663 N 0.00 1.15 -0.13 2.61 2.02 -1.88 -1.69 112.91 114.99 2ays h THR 663 Ca 0.00 -0.34 0.03 0.00 0.77 0.00 0.00 66.41 66.88 2ays h THR 663 Cb 0.00 0.08 -0.03 0.00 -1.74 0.00 0.00 68.15 66.45 2ays h THR 663 CO 0.00 0.18 -0.08 -0.33 0.37 0.00 0.00 175.52 175.66 2ays h GLU 664 N 0.98 -0.08 -0.26 6.66 5.08 -1.96 -2.56 114.58 122.44 2ays h GLU 664 Ca 0.30 0.01 -0.14 0.00 -1.00 0.00 0.00 59.36 58.52 2ays h GLU 664 Cb -0.04 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 2ays h GLU 664 CO -0.09 -0.05 -0.38 -0.92 -1.00 0.00 0.00 179.01 176.56 2ays h TYR 665 N -0.08 0.89 -0.74 4.33 3.20 -1.69 -2.61 116.97 120.27 2ays h TYR 665 Ca 0.08 -0.30 0.04 0.00 3.14 0.00 0.00 58.73 61.69 2ays h TYR 665 Cb 0.20 -0.18 -0.04 0.00 1.54 0.00 0.00 36.73 38.25 2ays h TYR 665 CO -0.21 1.07 0.49 0.28 -1.64 0.00 0.00 178.16 178.15 2ays h VAL 666 N 0.46 1.10 -0.12 1.81 2.07 -1.30 -1.71 116.25 118.56 2ays h VAL 666 Ca 0.03 -0.30 -0.18 0.00 0.82 0.00 0.00 66.70 67.07 2ays h VAL 666 Cb 0.97 0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.88 2ays h VAL 666 CO 0.09 0.16 -0.67 0.71 0.02 0.00 0.00 177.57 177.88 2ays h THR 667 N 0.87 1.35 -0.29 2.57 1.35 -1.29 -2.00 112.91 115.47 2ays h THR 667 Ca 0.30 -2.00 0.04 0.00 -0.55 0.00 0.00 66.41 64.19 2ays h THR 667 Cb 0.09 1.98 -0.04 0.00 -1.73 0.00 0.00 68.15 68.46 2ays h THR 667 CO -0.09 0.61 0.06 0.00 -0.25 0.00 0.00 175.52 175.86 2ays h ALA 668 N 0.91 0.31 -0.32 6.62 0.00 -0.96 -2.18 119.26 123.65 2ays h ALA 668 Ca -0.02 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2ays h ALA 668 Cb 1.24 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 2ays h ALA 668 CO 0.12 -0.35 0.11 0.82 0.00 0.00 0.00 179.25 179.95 2ays h ILE 669 N 0.17 1.20 -0.30 0.00 2.04 -1.17 -2.05 117.51 117.40 2ays h ILE 669 Ca 0.14 -0.64 0.06 0.00 1.00 0.00 0.00 64.86 65.42 2ays h ILE 669 Cb 0.14 1.01 -0.06 0.00 -0.74 0.00 0.00 36.82 37.18 2ays h ILE 669 CO -0.18 0.22 -0.09 0.00 0.00 0.00 0.00 178.15 178.10 2ays h ALA 670 N 0.95 0.18 -0.86 1.87 0.00 -1.16 0.18 119.26 120.41 2ays h ALA 670 Ca 0.11 0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.14 2ays h ALA 670 Cb 0.23 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 2ays h ALA 670 CO -0.00 -0.48 0.56 -0.91 0.00 0.00 0.00 179.25 178.42 2ays h ASN 671 N -0.02 1.00 0.30 0.00 2.35 -1.29 -1.94 115.58 115.98 2ays h ASN 671 Ca 0.15 -0.03 -0.15 0.00 -0.55 0.00 0.00 56.30 55.72 2ays h ASN 671 Cb 0.24 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 2ays h ASN 671 CO -0.32 0.73 -0.60 0.25 -1.65 0.00 0.00 177.43 175.84 2ays h LEU 672 N 1.17 0.34 -0.11 1.61 5.85 -0.67 -3.10 115.31 120.41 2ays h LEU 672 Ca 0.31 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.84 2ays h LEU 672 Cb -0.12 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 40.81 2ays h LEU 672 CO -0.07 0.86 0.00 0.29 -0.34 0.00 0.00 178.44 179.18 2ays n LYS 673 N -3.89 0.04 0.21 1.25 4.76 0.57 -1.75 118.16 119.35 2ays n LYS 673 Ca -0.03 0.25 0.13 0.00 -2.87 0.00 0.00 58.31 55.79 2ays n LYS 673 Cb 0.62 -1.57 0.25 0.00 -1.84 0.00 0.00 35.03 32.49 2ays n LYS 673 CO 0.00 0.00 0.00 1.57 -1.37 0.00 0.00 177.40 177.60 2ays h LYS 674 N 0.00 0.00 0.15 1.97 2.10 -1.39 -3.28 116.57 116.12 2ays h LYS 674 Ca 0.00 0.00 -0.29 0.00 -2.00 0.00 0.00 60.65 58.36 2ays h LYS 674 Cb 0.30 0.00 0.03 0.00 -0.90 0.00 0.00 32.23 31.66 2ays h LYS 674 CO 0.00 0.00 -1.23 0.00 -2.00 0.00 0.00 179.45 176.22 2ays n SER 676 N -3.83 0.58 -4.66 0.00 3.41 -1.24 -4.98 113.62 102.90 2ays n SER 676 Ca -0.14 -0.78 -0.31 0.00 -0.26 0.00 0.00 58.87 57.37 2ays n SER 676 Cb 0.99 0.00 0.16 0.00 -0.26 0.00 0.00 64.21 65.10 2ays n SER 676 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2ays n LEU 681 N 0.00 3.27 -0.28 1.04 4.32 -1.26 -5.05 117.00 119.04 2ays n LEU 681 Ca 0.00 0.43 -0.03 0.00 -0.02 0.00 0.00 56.01 56.39 2ays n LEU 681 Cb 0.00 -1.47 -0.00 0.00 -1.62 0.00 0.00 43.42 40.33 2ays n LEU 681 CO 0.00 -2.19 -0.03 1.21 -1.22 0.00 0.00 177.39 175.16 2ays n GLU 682 N -4.07 -0.20 -0.42 3.23 0.00 -1.26 -4.61 120.64 113.31 2ays n GLU 682 Ca 0.12 0.25 -0.01 0.00 0.00 0.00 0.00 57.16 57.52 2ays n GLU 682 Cb 0.52 -3.89 -0.01 0.00 0.00 0.00 0.00 31.44 28.06 2ays n GLU 682 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2ays n ALA 683 N -0.55 0.80 -0.28 4.31 0.00 -1.26 -5.03 120.51 118.50 2ays n ALA 683 Ca -0.03 -0.12 0.19 0.00 0.00 0.00 0.00 53.44 53.48 2ays n ALA 683 Cb 0.41 -0.12 0.36 0.00 0.00 0.00 0.00 19.45 20.10 2ays n ALA 683 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50