#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dwi n THR 343 N 0.00 1.61 -4.17 -0.72 5.66 -1.26 -4.80 114.28 110.60 2dwi n THR 343 Ca 0.00 -0.65 -0.34 0.00 -3.05 0.00 0.00 64.05 60.01 2dwi n THR 343 Cb 0.00 -0.72 -0.11 0.00 -1.55 0.00 0.00 70.33 67.96 2dwi n THR 343 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 2dwi s ARG 344 N -1.29 3.82 -0.10 1.09 3.52 -1.26 -4.90 118.95 119.83 2dwi s ARG 344 Ca 0.20 -0.41 -0.02 0.00 -0.13 0.00 0.00 55.73 55.37 2dwi s ARG 344 Cb 0.17 -3.08 -0.03 0.00 -1.56 0.00 0.00 34.95 30.44 2dwi s ARG 344 CO 0.04 0.28 -0.01 0.08 -0.81 0.00 0.00 175.30 174.89 2dwi s VAL 345 N 0.30 4.23 -0.38 7.11 1.01 -0.76 -5.02 120.40 126.90 2dwi s VAL 345 Ca 0.01 -0.27 -0.13 0.00 0.00 0.00 0.00 61.98 61.59 2dwi s VAL 345 Cb -0.13 -2.80 0.01 0.00 0.00 0.00 0.00 36.38 33.47 2dwi s VAL 345 CO 0.01 0.57 0.24 -0.69 0.00 0.00 0.00 175.10 175.24 2dwi s VAL 346 N -0.55 4.96 0.26 2.92 1.01 -1.26 -0.72 120.40 127.01 2dwi s VAL 346 Ca 0.09 -0.63 -0.25 0.00 0.00 0.00 0.00 61.98 61.19 2dwi s VAL 346 Cb -0.12 -3.70 -0.09 0.00 0.00 0.00 0.00 36.38 32.47 2dwi s VAL 346 CO 0.02 -0.20 0.87 0.86 0.00 0.00 0.00 175.10 176.66 2dwi s TRP 347 N 1.64 3.77 -0.27 5.22 -0.11 0.12 -0.14 118.94 129.17 2dwi s TRP 347 Ca 0.04 1.70 -0.11 0.00 1.22 0.00 0.00 56.10 58.95 2dwi s TRP 347 Cb -0.19 -2.85 -0.05 0.00 -1.50 0.00 0.00 33.47 28.89 2dwi s TRP 347 CO 0.09 0.33 0.19 0.00 -4.62 0.00 0.00 176.95 172.94 2dwi s ALA 349 N 1.54 3.82 -0.46 0.00 0.00 0.31 -4.78 121.76 122.20 2dwi s ALA 349 Ca 0.08 -0.58 -0.14 0.00 0.00 0.00 0.00 51.96 51.32 2dwi s ALA 349 Cb -0.15 -2.07 0.07 0.00 0.00 0.00 0.00 23.12 20.97 2dwi s ALA 349 CO 0.09 0.53 0.36 0.08 0.00 0.00 0.00 175.76 176.82 2dwi s VAL 350 N -0.83 5.06 0.00 0.00 1.01 -1.26 -1.28 120.40 123.10 2dwi s VAL 350 Ca 0.16 -1.08 0.00 0.00 0.00 0.00 0.00 61.98 61.06 2dwi s VAL 350 Cb -0.13 -4.01 0.00 0.00 0.00 0.00 0.00 36.38 32.24 2dwi s VAL 350 CO 0.05 -0.54 0.00 0.61 0.00 0.00 0.00 175.10 175.22 2dwi n GLY 351 N 5.15 -0.83 0.23 4.51 0.00 -0.35 -4.25 105.19 109.65 2dwi n GLY 351 Ca -0.12 -1.67 0.02 0.00 0.00 0.00 0.00 46.02 44.25 2dwi n GLY 351 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dwi h PRO 352 N 0.00 0.18 -0.08 1.61 0.13 -1.94 -2.07 132.00 129.83 2dwi h PRO 352 Ca 0.00 -0.05 -0.22 0.00 -0.87 0.00 0.00 66.00 64.86 2dwi h PRO 352 Cb 0.00 -0.02 0.01 0.00 0.13 0.00 0.00 31.00 31.12 2dwi h PRO 352 CO 0.00 0.39 -0.82 0.93 -0.23 0.00 0.00 178.00 178.27 2dwi h GLU 353 N 0.17 0.70 -0.35 0.86 5.08 -1.96 -2.12 114.58 116.97 2dwi h GLU 353 Ca 0.03 -0.64 -0.09 0.00 -1.00 0.00 0.00 59.36 57.66 2dwi h GLU 353 Cb 0.47 0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 2dwi h GLU 353 CO 0.03 1.25 -0.16 0.93 -1.00 0.00 0.00 179.01 180.05 2dwi h GLU 354 N 0.39 0.63 -0.44 2.33 5.08 -1.72 -2.54 114.58 118.31 2dwi h GLU 354 Ca -0.08 -0.21 0.03 0.00 -1.00 0.00 0.00 59.36 58.10 2dwi h GLU 354 Cb 1.47 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 30.63 2dwi h GLU 354 CO 0.17 0.76 0.22 0.37 -1.00 0.00 0.00 179.01 179.53 2dwi h GLN 355 N 0.57 0.43 -0.44 2.33 4.15 -1.27 -0.55 115.11 120.32 2dwi h GLN 355 Ca 0.09 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.47 2dwi h GLN 355 Cb 0.60 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 28.18 2dwi h GLN 355 CO 0.04 0.29 0.20 -0.22 -1.93 0.00 0.00 178.83 177.20 2dwi h LYS 356 N 0.44 0.65 -0.51 1.69 3.64 -1.22 0.13 116.57 121.40 2dwi h LYS 356 Ca 0.19 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 2dwi h LYS 356 Cb 0.09 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 2dwi h LYS 356 CO -0.13 0.57 0.32 -0.22 -2.27 0.00 0.00 179.45 177.73 2dwi h LYS 357 N 0.57 0.68 -0.85 1.90 3.64 -1.28 -2.60 116.57 118.64 2dwi h LYS 357 Ca 0.15 -0.05 0.05 0.00 -1.27 0.00 0.00 60.65 59.52 2dwi h LYS 357 Cb 0.15 -0.15 -0.06 0.00 -0.41 0.00 0.00 32.23 31.77 2dwi h LYS 357 CO -0.02 0.47 0.54 0.00 -2.27 0.00 0.00 179.45 178.18 2dwi h GLN 359 N 1.02 1.04 -0.31 0.00 4.20 -0.66 0.51 115.11 120.90 2dwi h GLN 359 Ca 0.35 -0.11 -0.02 0.00 0.06 0.00 0.00 58.65 58.93 2dwi h GLN 359 Cb 0.08 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.64 2dwi h GLN 359 CO -0.14 0.76 0.11 1.96 -0.67 0.00 0.00 178.83 180.85 2dwi h GLN 360 N 1.05 0.46 -0.37 1.46 4.20 -1.08 -0.87 115.11 119.96 2dwi h GLN 360 Ca 0.27 -0.09 -0.01 0.00 0.06 0.00 0.00 58.65 58.88 2dwi h GLN 360 Cb 0.02 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 2dwi h GLN 360 CO -0.04 0.49 0.21 2.35 -0.67 0.00 0.00 178.83 181.16 2dwi h TRP 361 N 0.34 0.51 -0.26 2.96 7.01 -0.78 -1.57 115.95 124.15 2dwi h TRP 361 Ca 0.10 -0.01 0.04 0.00 2.11 0.00 0.00 58.89 61.13 2dwi h TRP 361 Cb 0.20 -0.16 -0.04 0.00 -2.10 0.00 0.00 29.16 27.06 2dwi h TRP 361 CO -0.00 0.39 0.04 1.03 -2.79 0.00 0.00 178.44 177.10 2dwi h SER 362 N 0.48 -0.02 0.23 2.65 0.87 0.14 -1.89 113.55 116.00 2dwi h SER 362 Ca 0.13 0.05 0.01 0.00 -1.23 0.00 0.00 61.79 60.74 2dwi h SER 362 Cb 0.04 0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.05 2dwi h SER 362 CO -0.02 0.02 -0.26 -0.61 -0.53 0.00 0.00 176.83 175.43 2dwi h GLN 363 N 0.13 -0.51 0.00 2.24 4.15 -1.01 -2.35 115.11 117.76 2dwi h GLN 363 Ca 0.12 0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.57 2dwi h GLN 363 Cb 0.14 0.12 -0.00 0.00 0.21 0.00 0.00 27.48 27.94 2dwi h GLN 363 CO -0.18 -0.34 -0.05 1.96 -1.93 0.00 0.00 178.83 178.29 2dwi h GLN 364 N -0.53 0.00 -0.05 1.69 1.08 -1.21 -2.58 115.11 113.51 2dwi h GLN 364 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2dwi h GLN 364 Cb 0.50 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.93 2dwi h GLN 364 CO -0.08 0.05 0.00 -1.13 -0.95 0.00 0.00 178.83 176.72 2dwi n SER 365 N -3.73 1.55 -1.51 1.46 3.41 -0.72 -4.93 113.62 109.15 2dwi n SER 365 Ca -0.02 -1.55 -0.12 0.00 -0.26 0.00 0.00 58.87 56.92 2dwi n SER 365 Cb 0.15 -0.02 0.01 0.00 -0.26 0.00 0.00 64.21 64.08 2dwi n SER 365 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dwi n GLY 366 N 1.17 -0.05 2.37 5.00 0.00 -0.97 -2.38 105.19 110.33 2dwi n GLY 366 Ca 0.18 -0.35 -0.10 0.00 0.00 0.00 0.00 46.02 45.76 2dwi n GLY 366 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2dwi n GLN 367 N -2.30 -0.85 0.23 1.61 3.00 -0.89 -4.88 117.38 113.29 2dwi n GLN 367 Ca -0.10 0.81 0.09 0.00 -0.01 0.00 0.00 57.00 57.78 2dwi n GLN 367 Cb 0.59 -4.77 0.53 0.00 0.00 0.00 0.00 30.24 26.58 2dwi n GLN 367 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.06 176.15 2dwi h ASN 368 N 0.00 0.00 -3.87 1.08 2.35 -1.71 -3.42 115.58 110.02 2dwi h ASN 368 Ca -0.20 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 54.99 2dwi h ASN 368 Cb 0.72 0.00 -0.31 0.00 0.05 0.00 0.00 38.32 38.78 2dwi h ASN 368 CO 0.29 0.24 -0.84 -0.69 -1.65 0.00 0.00 177.43 174.78 2dwi s VAL 369 N -3.95 1.44 0.43 2.81 1.01 -1.26 -1.83 120.40 119.07 2dwi s VAL 369 Ca -0.01 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 61.28 2dwi s VAL 369 Cb 0.12 -1.24 -0.02 0.00 0.00 0.00 0.00 36.38 35.24 2dwi s VAL 369 CO 0.64 0.42 0.10 0.42 0.00 0.00 0.00 175.10 176.68 2dwi s THR 370 N 0.07 0.71 -0.06 3.92 -4.23 0.10 -4.28 115.64 111.86 2dwi s THR 370 Ca -0.05 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.48 2dwi s THR 370 Cb -0.12 -2.30 0.02 0.00 1.34 0.00 0.00 72.50 71.44 2dwi s THR 370 CO 0.02 0.00 -0.10 0.00 -0.54 0.00 0.00 174.62 174.00 2dwi s ALA 372 N 0.79 3.44 -0.00 0.00 0.00 0.28 -4.93 121.76 121.34 2dwi s ALA 372 Ca -0.12 -1.16 0.05 0.00 0.00 0.00 0.00 51.96 50.72 2dwi s ALA 372 Cb -0.15 -1.28 -0.01 0.00 0.00 0.00 0.00 23.12 21.68 2dwi s ALA 372 CO 0.02 0.61 -0.15 0.99 0.00 0.00 0.00 175.76 177.24 2dwi s THR 373 N -1.54 1.16 0.16 0.00 2.01 -1.26 -0.53 115.64 115.64 2dwi s THR 373 Ca 0.29 -0.70 0.01 0.00 0.31 0.00 0.00 61.69 61.59 2dwi s THR 373 Cb -0.11 -0.98 -0.04 0.00 0.01 0.00 0.00 72.50 71.37 2dwi s THR 373 CO 0.21 0.27 0.03 0.00 -0.69 0.00 0.00 174.62 174.43 2dwi s ALA 374 N -0.44 1.19 -0.29 7.40 0.00 -0.40 -4.94 121.76 124.28 2dwi s ALA 374 Ca 0.05 -1.56 0.21 0.00 0.00 0.00 0.00 51.96 50.66 2dwi s ALA 374 Cb -0.06 0.69 0.12 0.00 0.00 0.00 0.00 23.12 23.87 2dwi s ALA 374 CO -0.00 -0.39 1.29 0.77 0.00 0.00 0.00 175.76 177.43 2dwi h SER 375 N 2.74 0.00 -4.59 0.00 0.02 -1.95 -0.91 113.55 108.86 2dwi h SER 375 Ca -0.36 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.34 2dwi h SER 375 Cb 1.20 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.60 2dwi h SER 375 CO 0.61 0.14 -0.68 0.42 -1.14 0.00 0.00 176.83 176.18 2dwi s THR 376 N -3.20 0.67 0.24 -2.27 -4.23 -1.26 -4.54 115.64 101.05 2dwi s THR 376 Ca 0.03 -1.96 -0.07 0.00 -1.18 0.00 0.00 61.69 58.52 2dwi s THR 376 Cb 0.07 -1.89 0.23 0.00 1.34 0.00 0.00 72.50 72.26 2dwi s THR 376 CO 0.74 -0.68 1.89 0.74 -0.54 0.00 0.00 174.62 176.76 2dwi h THR 377 N 2.84 1.26 -0.52 3.99 2.02 -1.91 -2.35 112.91 118.25 2dwi h THR 377 Ca -0.36 -0.57 -0.01 0.00 0.77 0.00 0.00 66.41 66.24 2dwi h THR 377 Cb 1.18 -0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 67.49 2dwi h THR 377 CO 0.64 0.27 0.31 0.44 0.37 0.00 0.00 175.52 177.55 2dwi h ASP 378 N 1.31 0.64 -0.93 4.18 3.32 -1.96 -0.73 116.42 122.25 2dwi h ASP 378 Ca 0.34 -0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.32 2dwi h ASP 378 Cb -0.05 -0.16 -0.05 0.00 0.22 0.00 0.00 39.33 39.29 2dwi h ASP 378 CO -0.06 0.52 0.58 0.44 -1.72 0.00 0.00 179.24 179.00 2dwi h ASP 379 N 0.70 1.11 -0.80 6.45 3.32 -1.95 -1.73 116.42 123.52 2dwi h ASP 379 Ca 0.19 -0.06 0.01 0.00 0.02 0.00 0.00 57.03 57.19 2dwi h ASP 379 Cb 0.01 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.24 2dwi h ASP 379 CO -0.03 0.84 0.53 0.00 -1.72 0.00 0.00 179.24 178.86 2dwi h ILE 381 N 1.09 1.19 -0.41 0.00 2.04 -0.59 -1.91 117.51 118.92 2dwi h ILE 381 Ca 0.29 -0.37 -0.10 0.00 1.00 0.00 0.00 64.86 65.69 2dwi h ILE 381 Cb -0.13 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 35.98 2dwi h ILE 381 CO -0.06 0.19 -0.13 0.58 0.00 0.00 0.00 178.15 178.73 2dwi h VAL 382 N 1.06 1.28 -0.60 1.67 2.07 -0.90 -1.83 116.25 118.99 2dwi h VAL 382 Ca 0.30 -1.25 0.04 0.00 0.82 0.00 0.00 66.70 66.61 2dwi h VAL 382 Cb -0.10 1.23 -0.05 0.00 -1.52 0.00 0.00 31.29 30.85 2dwi h VAL 382 CO -0.07 0.42 0.34 -0.07 0.02 0.00 0.00 177.57 178.22 2dwi h LEU 383 N 0.63 0.53 -0.52 2.57 3.38 -0.91 -1.54 115.31 119.45 2dwi h LEU 383 Ca 0.10 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.10 2dwi h LEU 383 Cb 0.67 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 2dwi h LEU 383 CO 0.05 0.36 0.34 0.58 0.09 0.00 0.00 178.44 179.85 2dwi h VAL 384 N 0.66 1.12 -0.78 1.22 2.07 -1.22 -0.97 116.25 118.35 2dwi h VAL 384 Ca 0.26 -0.23 0.02 0.00 0.82 0.00 0.00 66.70 67.56 2dwi h VAL 384 Cb 0.11 0.37 -0.04 0.00 -1.52 0.00 0.00 31.29 30.21 2dwi h VAL 384 CO -0.14 0.12 0.52 -0.07 0.02 0.00 0.00 177.57 178.02 2dwi h LEU 385 N 0.68 0.86 -0.47 2.57 3.38 -0.92 -1.82 115.31 119.60 2dwi h LEU 385 Ca 0.19 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.15 2dwi h LEU 385 Cb -0.06 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.48 2dwi h LEU 385 CO -0.05 0.61 0.00 0.11 0.09 0.00 0.00 178.44 179.20 2dwi h LYS 386 N 1.01 0.00 0.00 1.13 1.57 -0.89 -3.47 116.57 115.92 2dwi h LYS 386 Ca 0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 2dwi h LYS 386 Cb -0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.26 2dwi h LYS 386 CO -0.07 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.22 2dwi n GLY 387 N 0.64 0.59 0.08 3.86 0.00 -0.69 -4.96 105.19 104.71 2dwi n GLY 387 Ca 0.03 -0.36 0.12 0.00 0.00 0.00 0.00 46.02 45.81 2dwi n GLY 387 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2dwi n GLU 388 N -2.74 0.45 -4.25 1.61 1.02 -0.43 -4.87 120.64 111.43 2dwi n GLU 388 Ca 0.00 0.07 -0.14 0.00 -0.02 0.00 0.00 57.16 57.07 2dwi n GLU 388 Cb 0.00 -1.72 -0.10 0.00 -0.02 0.00 0.00 31.44 29.60 2dwi n GLU 388 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2dwi s ALA 389 N -3.28 1.41 -0.18 0.62 0.00 -1.13 -4.89 121.76 114.30 2dwi s ALA 389 Ca 0.02 -1.58 0.13 0.00 0.00 0.00 0.00 51.96 50.52 2dwi s ALA 389 Cb 0.12 0.42 -0.20 0.00 0.00 0.00 0.00 23.12 23.46 2dwi s ALA 389 CO 0.78 -0.26 0.01 -0.25 0.00 0.00 0.00 175.76 176.03 2dwi n ASP 390 N -0.25 1.00 -3.51 0.00 8.00 0.80 -4.12 116.55 118.47 2dwi n ASP 390 Ca -0.07 -0.03 -0.11 0.00 0.71 0.00 0.00 54.79 55.29 2dwi n ASP 390 Cb 0.63 0.67 -0.03 0.00 -0.02 0.00 0.00 41.12 42.36 2dwi n ASP 390 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2dwi s ALA 391 N -2.43 -1.81 0.25 2.24 0.00 -1.16 -4.02 121.76 114.83 2dwi s ALA 391 Ca -0.13 1.12 -0.21 0.00 0.00 0.00 0.00 51.96 52.74 2dwi s ALA 391 Cb 0.06 0.15 0.03 0.00 0.00 0.00 0.00 23.12 23.36 2dwi s ALA 391 CO 0.68 -0.56 0.69 -0.48 0.00 0.00 0.00 175.76 176.08 2dwi s LEU 392 N -2.01 -0.33 -0.20 0.00 2.34 -1.16 -1.40 118.68 115.92 2dwi s LEU 392 Ca 0.01 -0.46 -0.13 0.00 0.06 0.00 0.00 54.13 53.60 2dwi s LEU 392 Cb -0.01 2.69 -0.04 0.00 -0.56 0.00 0.00 46.19 48.26 2dwi s LEU 392 CO -0.04 -1.25 0.28 0.21 -1.06 0.00 0.00 176.35 174.48 2dwi s ASN 393 N -2.88 6.32 0.06 1.48 2.47 -1.26 -1.23 114.94 119.89 2dwi s ASN 393 Ca 0.09 0.36 0.08 0.00 0.42 0.00 0.00 52.86 53.81 2dwi s ASN 393 Cb -0.05 -2.17 -0.03 0.00 -1.45 0.00 0.00 41.25 37.56 2dwi s ASN 393 CO 0.02 0.03 -0.23 -0.76 -3.72 0.00 0.00 177.10 172.44 2dwi s LEU 394 N 0.97 2.19 0.69 3.21 1.43 0.36 -4.91 118.68 122.62 2dwi s LEU 394 Ca 0.14 -0.57 -0.15 0.00 -1.03 0.00 0.00 54.13 52.51 2dwi s LEU 394 Cb -0.14 -1.07 0.02 0.00 0.03 0.00 0.00 46.19 45.03 2dwi s LEU 394 CO 0.05 0.18 1.17 -0.62 0.23 0.00 0.00 176.35 177.36 2dwi s ASP 395 N -1.33 4.63 0.28 2.29 2.15 -1.26 -1.53 116.67 121.90 2dwi s ASP 395 Ca 0.09 2.21 0.02 0.00 0.43 0.00 0.00 52.55 55.30 2dwi s ASP 395 Cb -0.09 -2.57 0.67 0.00 -0.30 0.00 0.00 42.92 40.63 2dwi s ASP 395 CO 0.02 -1.96 1.67 1.23 -0.17 0.00 0.00 175.17 175.97 2dwi h GLY 396 N -0.09 1.37 1.16 2.66 0.00 -1.81 -1.22 103.07 105.15 2dwi h GLY 396 Ca -0.47 -0.09 0.04 0.00 0.00 0.00 0.00 47.33 46.81 2dwi h GLY 396 CO 0.52 -0.30 0.45 -1.33 0.00 0.00 0.00 176.54 175.88 2dwi h GLY 397 N 0.30 0.93 1.84 4.60 0.00 -1.89 -2.26 103.07 106.58 2dwi h GLY 397 Ca 0.53 -0.31 -0.13 0.00 0.00 0.00 0.00 47.33 47.42 2dwi h GLY 397 CO -0.58 0.26 -0.70 -0.97 0.00 0.00 0.00 176.54 174.55 2dwi h TYR 398 N 0.78 0.00 -0.35 5.60 0.05 -1.39 -3.12 116.97 118.55 2dwi h TYR 398 Ca 0.28 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 59.03 2dwi h TYR 398 Cb 0.13 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.86 2dwi h TYR 398 CO -0.00 0.57 0.09 0.82 -1.05 0.00 0.00 178.16 178.59 2dwi h ILE 399 N 0.00 1.16 -0.26 -2.88 2.04 -0.81 0.13 117.51 116.90 2dwi h ILE 399 Ca -0.03 -0.56 -0.02 0.00 1.00 0.00 0.00 64.86 65.25 2dwi h ILE 399 Cb 1.46 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 38.33 2dwi h ILE 399 CO 0.07 0.20 0.07 0.22 0.00 0.00 0.00 178.15 178.72 2dwi h TYR 400 N 0.50 0.42 -0.04 1.37 3.20 -1.40 -0.28 116.97 120.74 2dwi h TYR 400 Ca 0.12 -0.05 0.01 0.00 3.14 0.00 0.00 58.73 61.96 2dwi h TYR 400 Cb 0.19 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.32 2dwi h TYR 400 CO 0.01 0.47 -0.04 1.15 -1.64 0.00 0.00 178.16 178.12 2dwi h THR 401 N 0.25 0.89 -0.29 1.81 2.02 -1.41 -3.04 112.91 113.13 2dwi h THR 401 Ca 0.08 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.19 2dwi h THR 401 Cb 0.26 0.89 -0.02 0.00 -1.74 0.00 0.00 68.15 67.54 2dwi h THR 401 CO -0.00 0.00 -0.15 0.00 0.37 0.00 0.00 175.52 175.74 2dwi h ALA 402 N 1.00 1.20 -0.38 6.16 0.00 -0.72 -3.21 119.26 123.31 2dwi h ALA 402 Ca 0.03 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.53 2dwi h ALA 402 Cb 0.09 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2dwi h ALA 402 CO -0.07 0.51 -0.26 0.78 0.00 0.00 0.00 179.25 180.21 2dwi h GLY 403 N 0.95 0.92 1.72 0.00 0.00 -1.00 -1.48 103.07 104.18 2dwi h GLY 403 Ca 0.08 -0.88 0.03 0.00 0.00 0.00 0.00 47.33 46.56 2dwi h GLY 403 CO 0.03 0.80 0.11 0.50 0.00 0.00 0.00 176.54 177.98 2dwi h LYS 404 N 0.65 0.00 -0.36 4.80 1.57 -1.54 -1.15 116.57 120.54 2dwi h LYS 404 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2dwi h LYS 404 Cb 0.84 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.15 2dwi h LYS 404 CO 0.07 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.95 2dwi n GLY 406 N 1.17 0.74 3.86 0.00 0.00 -0.43 -5.06 105.19 105.45 2dwi n GLY 406 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 2dwi n GLY 406 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dwi s LEU 407 N 0.00 3.69 0.04 0.99 1.43 -0.62 -3.93 118.68 120.28 2dwi s LEU 407 Ca 0.00 1.39 0.05 0.00 -1.03 0.00 0.00 54.13 54.54 2dwi s LEU 407 Cb 0.00 -4.31 -0.02 0.00 0.03 0.00 0.00 46.19 41.89 2dwi s LEU 407 CO 0.00 -0.52 -0.15 0.68 0.23 0.00 0.00 176.35 176.58 2dwi s VAL 408 N -2.55 1.22 0.35 -1.59 -7.23 -0.21 -4.17 120.40 106.22 2dwi s VAL 408 Ca 0.56 -1.06 -0.28 0.00 -1.81 0.00 0.00 61.98 59.39 2dwi s VAL 408 Cb -0.10 -1.10 -0.09 0.00 0.56 0.00 0.00 36.38 35.64 2dwi s VAL 408 CO 0.32 0.03 1.22 -2.16 -0.31 0.00 0.00 175.10 174.20 2dwi s PRO 409 N -1.18 4.30 -0.02 4.82 0.04 -1.26 -1.95 135.00 139.74 2dwi s PRO 409 Ca 0.03 2.00 -0.01 0.00 0.04 0.00 0.00 61.00 63.06 2dwi s PRO 409 Cb -0.08 -2.95 -0.01 0.00 0.04 0.00 0.00 34.50 31.50 2dwi s PRO 409 CO 0.01 -0.16 -0.03 0.28 0.04 0.00 0.00 177.00 177.14 2dwi n VAL 410 N 0.61 0.13 -3.79 -0.36 0.31 0.61 -4.94 118.33 110.90 2dwi n VAL 410 Ca 0.01 -0.03 -0.13 0.00 -0.01 0.00 0.00 64.34 64.18 2dwi n VAL 410 Cb 0.44 -1.39 -0.10 0.00 -0.91 0.00 0.00 33.84 31.88 2dwi n VAL 410 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2dwi s LEU 411 N -5.98 1.01 0.03 7.52 1.43 -1.23 -4.48 118.68 116.98 2dwi s LEU 411 Ca -0.03 0.21 0.02 0.00 -1.03 0.00 0.00 54.13 53.30 2dwi s LEU 411 Cb 0.01 1.05 -0.04 0.00 0.03 0.00 0.00 46.19 47.24 2dwi s LEU 411 CO 0.04 -0.31 0.02 0.00 0.23 0.00 0.00 176.35 176.34 2dwi s ALA 412 N -0.80 3.36 0.29 4.21 0.00 -0.57 -0.32 121.76 127.92 2dwi s ALA 412 Ca -0.09 -0.99 -0.30 0.00 0.00 0.00 0.00 51.96 50.58 2dwi s ALA 412 Cb -0.05 -1.35 -0.12 0.00 0.00 0.00 0.00 23.12 21.61 2dwi s ALA 412 CO 0.02 0.68 1.55 0.39 0.00 0.00 0.00 175.76 178.41 2dwi n GLU 413 N 1.05 2.57 -3.94 0.00 1.02 -0.36 -0.06 120.64 120.91 2dwi n GLU 413 Ca -0.13 0.91 -0.27 0.00 -0.02 0.00 0.00 57.16 57.65 2dwi n GLU 413 Cb 0.52 -2.67 -0.17 0.00 -0.02 0.00 0.00 31.44 29.11 2dwi n GLU 413 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 2dwi s ASN 414 N 0.42 2.25 0.55 1.62 3.04 0.75 -4.80 114.94 118.77 2dwi s ASN 414 Ca 0.64 -0.33 0.05 0.00 0.04 0.00 0.00 52.86 53.26 2dwi s ASN 414 Cb -0.52 -0.89 0.06 0.00 -1.54 0.00 0.00 41.25 38.35 2dwi s ASN 414 CO 0.49 -0.10 0.75 0.00 -3.04 0.00 0.00 177.10 175.20 2dwi s ARG 415 N 1.64 2.42 0.15 0.43 1.70 -1.26 -0.89 118.95 123.14 2dwi s ARG 415 Ca 0.04 -1.19 -0.31 0.00 -0.47 0.00 0.00 55.73 53.80 2dwi s ARG 415 Cb -0.13 -2.58 -0.09 0.00 -0.57 0.00 0.00 34.95 31.58 2dwi s ARG 415 CO -0.08 -0.74 1.53 -1.59 -1.08 0.00 0.00 175.30 173.34 2dwi s LYS 416 N -4.68 4.24 0.52 3.89 -2.85 -1.26 -4.79 119.74 114.81 2dwi s LYS 416 Ca 0.59 2.30 0.02 0.00 -1.00 0.00 0.00 55.97 57.88 2dwi s LYS 416 Cb -0.08 -3.20 0.00 0.00 -2.06 0.00 0.00 37.83 32.49 2dwi s LYS 416 CO 0.38 -0.58 0.13 -1.54 0.10 0.00 0.00 175.35 173.84 2dwi s SER 417 N 1.21 4.29 -0.14 0.03 1.04 -1.26 -5.07 113.70 113.81 2dwi s SER 417 Ca 0.69 -1.53 0.14 0.00 0.48 0.00 0.00 55.95 55.74 2dwi s SER 417 Cb -0.42 0.50 -0.20 0.00 0.10 0.00 0.00 66.02 66.00 2dwi s SER 417 CO 0.31 -0.94 0.09 -1.54 0.98 0.00 0.00 173.24 172.15 2dwi n SER 418 N -1.43 1.17 -4.86 7.02 3.41 -1.26 -4.98 113.62 112.69 2dwi n SER 418 Ca -0.14 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.26 2dwi n SER 418 Cb 0.66 1.00 -0.04 0.00 -0.26 0.00 0.00 64.21 65.57 2dwi n SER 418 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2dwi s LYS 419 N -2.48 2.54 -1.40 4.33 2.36 -1.26 -4.53 119.74 119.29 2dwi s LYS 419 Ca -0.07 -1.52 0.00 0.00 -2.55 0.00 0.00 55.97 51.83 2dwi s LYS 419 Cb 0.05 -2.36 0.00 0.00 -1.05 0.00 0.00 37.83 34.47 2dwi s LYS 419 CO 0.64 -0.14 0.00 0.72 1.55 0.00 0.00 175.35 178.13 2dwi n HIS 420 N -1.49 -0.37 -0.04 4.03 8.25 -1.26 -4.93 115.22 119.42 2dwi n HIS 420 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 2dwi n HIS 420 Cb 0.62 -2.86 0.29 0.00 1.12 0.00 0.00 29.99 29.16 2dwi n HIS 420 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2dwi h SER 421 N 0.00 0.56 -0.58 0.41 4.64 -1.94 -2.94 113.55 113.70 2dwi h SER 421 Ca -0.33 -0.08 0.01 0.00 -0.47 0.00 0.00 61.79 60.92 2dwi h SER 421 Cb 1.12 -0.15 -0.03 0.00 -0.31 0.00 0.00 62.40 63.03 2dwi h SER 421 CO 0.43 0.57 0.38 0.77 -0.87 0.00 0.00 176.83 178.11 2dwi h SER 422 N 0.60 0.65 -4.08 4.97 4.64 -1.97 -3.44 113.55 114.92 2dwi h SER 422 Ca 0.14 -0.02 -0.47 0.00 -0.47 0.00 0.00 61.79 60.97 2dwi h SER 422 Cb 0.24 -0.16 0.03 0.00 -0.31 0.00 0.00 62.40 62.20 2dwi h SER 422 CO -0.00 0.47 0.39 -0.76 -0.87 0.00 0.00 176.83 176.06 2dwi s LEU 423 N -9.66 3.83 0.72 5.97 1.43 -1.11 -5.03 118.68 114.83 2dwi s LEU 423 Ca -0.09 1.96 -0.14 0.00 -1.03 0.00 0.00 54.13 54.83 2dwi s LEU 423 Cb 0.18 -4.56 0.03 0.00 0.03 0.00 0.00 46.19 41.87 2dwi s LEU 423 CO 0.76 -0.85 1.14 -0.62 0.23 0.00 0.00 176.35 177.01 2dwi s ASP 424 N -1.97 4.53 0.21 2.29 2.15 -1.26 -4.85 116.67 117.76 2dwi s ASP 424 Ca 0.68 2.09 -0.10 0.00 0.43 0.00 0.00 52.55 55.65 2dwi s ASP 424 Cb -0.17 -2.56 0.19 0.00 -0.30 0.00 0.00 42.92 40.08 2dwi s ASP 424 CO 0.21 -2.03 1.86 0.00 -0.17 0.00 0.00 175.17 175.05 2dwi h VAL 426 N 0.95 0.80 -0.02 0.00 2.07 -1.92 -2.87 116.25 115.26 2dwi h VAL 426 Ca 0.29 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.42 2dwi h VAL 426 Cb -0.03 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 2dwi h VAL 426 CO -0.09 0.10 -0.24 0.18 0.02 0.00 0.00 177.57 177.54 2dwi n LEU 427 N -4.02 2.19 -4.74 2.57 4.77 -1.00 -0.86 117.00 115.91 2dwi n LEU 427 Ca -0.02 -0.86 -0.41 0.00 -0.03 0.00 0.00 56.01 54.69 2dwi n LEU 427 Cb 0.19 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.23 2dwi n LEU 427 CO 0.32 0.39 0.71 -0.60 -1.33 0.00 0.00 177.39 176.88 2dwi s ARG 428 N -1.99 4.70 0.50 3.23 3.52 -0.93 -4.95 118.95 123.04 2dwi s ARG 428 Ca 0.19 1.57 -0.23 0.00 -0.13 0.00 0.00 55.73 57.13 2dwi s ARG 428 Cb 0.16 -3.30 -0.06 0.00 -1.56 0.00 0.00 34.95 30.18 2dwi s ARG 428 CO 0.39 0.25 1.35 -2.14 -0.81 0.00 0.00 175.30 174.34 2dwi s PRO 429 N -0.55 3.44 0.42 5.12 0.02 -1.26 -4.86 135.00 137.33 2dwi s PRO 429 Ca 0.46 2.23 -0.22 0.00 0.02 0.00 0.00 61.00 63.49 2dwi s PRO 429 Cb -0.27 -2.43 -0.10 0.00 0.02 0.00 0.00 34.50 31.72 2dwi s PRO 429 CO 0.33 -0.95 0.96 0.95 -0.33 0.00 0.00 177.00 177.96 2dwi s THR 430 N -1.30 4.28 -0.07 0.99 -4.23 -1.26 -5.01 115.64 109.04 2dwi s THR 430 Ca 0.66 1.50 0.18 0.00 -1.18 0.00 0.00 61.69 62.86 2dwi s THR 430 Cb -0.40 -3.65 -0.28 0.00 1.34 0.00 0.00 72.50 69.51 2dwi s THR 430 CO 0.49 -0.23 0.32 -0.62 -0.54 0.00 0.00 174.62 174.04 2dwi n GLU 431 N -0.47 0.73 0.00 3.99 1.02 -1.26 -5.06 120.64 119.59 2dwi n GLU 431 Ca 0.06 -0.13 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 2dwi n GLU 431 Cb 0.53 -1.46 0.00 0.00 -0.02 0.00 0.00 31.44 30.49 2dwi n GLU 431 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2dwi n GLY 432 N 1.55 0.66 3.53 0.62 0.00 -1.26 -4.96 105.19 105.33 2dwi n GLY 432 Ca -0.11 -1.80 -0.25 0.00 0.00 0.00 0.00 46.02 43.85 2dwi n GLY 432 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2dwi s TYR 433 N -2.63 2.36 -0.27 1.61 -0.85 -0.28 -4.87 117.35 112.41 2dwi s TYR 433 Ca 0.00 -0.50 -0.15 0.00 -0.52 0.00 0.00 57.07 55.90 2dwi s TYR 433 Cb 0.00 -1.32 -0.03 0.00 0.38 0.00 0.00 41.96 40.99 2dwi s TYR 433 CO 0.00 0.58 0.38 -0.51 -1.52 0.00 0.00 175.55 174.48 2dwi s LEU 434 N -3.59 4.06 -0.12 -3.49 1.43 -1.26 0.30 118.68 116.02 2dwi s LEU 434 Ca 0.32 0.26 -0.30 0.00 -1.03 0.00 0.00 54.13 53.39 2dwi s LEU 434 Cb 0.02 -2.43 -0.02 0.00 0.03 0.00 0.00 46.19 43.79 2dwi s LEU 434 CO 0.16 -0.20 1.14 0.00 0.23 0.00 0.00 176.35 177.68 2dwi s ALA 435 N 2.08 3.54 0.23 4.21 0.00 -0.41 -1.12 121.76 130.29 2dwi s ALA 435 Ca 0.15 0.45 0.10 0.00 0.00 0.00 0.00 51.96 52.66 2dwi s ALA 435 Cb -0.16 -3.53 -0.05 0.00 0.00 0.00 0.00 23.12 19.39 2dwi s ALA 435 CO 0.10 -0.86 -0.18 0.14 0.00 0.00 0.00 175.76 174.95 2dwi s VAL 436 N 2.62 2.13 -0.15 0.00 -7.23 -0.04 -0.22 120.40 117.51 2dwi s VAL 436 Ca 0.52 -2.24 -0.03 0.00 -1.81 0.00 0.00 61.98 58.42 2dwi s VAL 436 Cb -0.21 -2.14 -0.02 0.00 0.56 0.00 0.00 36.38 34.57 2dwi s VAL 436 CO 0.17 -0.43 -0.06 0.00 -0.31 0.00 0.00 175.10 174.46 2dwi s ALA 437 N -2.53 2.87 -0.04 1.32 0.00 -1.26 -2.31 121.76 119.81 2dwi s ALA 437 Ca 0.25 -0.87 0.07 0.00 0.00 0.00 0.00 51.96 51.40 2dwi s ALA 437 Cb -0.04 -1.47 -0.01 0.00 0.00 0.00 0.00 23.12 21.59 2dwi s ALA 437 CO 0.11 0.16 -0.25 0.08 0.00 0.00 0.00 175.76 175.86 2dwi s VAL 438 N 0.47 2.02 0.28 0.00 1.01 0.24 -0.84 120.40 123.59 2dwi s VAL 438 Ca -0.05 -1.07 0.03 0.00 0.00 0.00 0.00 61.98 60.89 2dwi s VAL 438 Cb -0.15 -1.70 -0.06 0.00 0.00 0.00 0.00 36.38 34.48 2dwi s VAL 438 CO 0.03 0.57 0.06 0.68 0.00 0.00 0.00 175.10 176.44 2dwi s VAL 439 N -0.32 0.92 0.17 2.92 -7.23 0.06 -1.14 120.40 115.79 2dwi s VAL 439 Ca 0.01 -2.01 -0.30 0.00 -1.81 0.00 0.00 61.98 57.88 2dwi s VAL 439 Cb -0.12 -2.66 -0.07 0.00 0.56 0.00 0.00 36.38 34.08 2dwi s VAL 439 CO 0.02 -0.05 1.05 -0.54 -0.31 0.00 0.00 175.10 175.26 2dwi s LYS 440 N -3.94 4.65 0.21 4.82 3.01 -1.26 -1.04 119.74 126.20 2dwi s LYS 440 Ca 0.36 1.63 -0.11 0.00 -1.01 0.00 0.00 55.97 56.84 2dwi s LYS 440 Cb 0.08 -3.30 0.29 0.00 -1.01 0.00 0.00 37.83 33.89 2dwi s LYS 440 CO 0.14 0.17 1.66 -0.22 0.51 0.00 0.00 175.35 177.61 2dwi h LYS 441 N 5.05 0.12 0.00 1.68 3.64 -0.55 -1.75 116.57 124.75 2dwi h LYS 441 Ca -0.44 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 2dwi h LYS 441 Cb 1.21 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 2dwi h LYS 441 CO 0.71 0.08 0.11 0.00 -2.27 0.00 0.00 179.45 178.08 2dwi h ALA 442 N 1.56 1.09 -1.25 5.00 0.00 -1.93 -3.23 119.26 120.50 2dwi h ALA 442 Ca 0.32 0.00 -0.76 0.00 0.00 0.00 0.00 54.91 54.47 2dwi h ALA 442 Cb 0.51 0.00 -0.18 0.00 0.00 0.00 0.00 17.79 18.13 2dwi h ALA 442 CO -0.52 -0.09 1.68 -1.71 0.00 0.00 0.00 179.25 178.61 2dwi n ASN 443 N -2.58 5.29 -4.75 0.00 2.85 -0.66 -5.01 115.26 110.40 2dwi n ASN 443 Ca -0.02 -3.12 -0.34 0.00 -0.11 0.00 0.00 54.58 50.99 2dwi n ASN 443 Cb 0.15 -1.47 0.06 0.00 1.24 0.00 0.00 39.78 39.76 2dwi n ASN 443 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 2dwi s GLU 444 N 0.20 2.66 0.00 1.20 2.02 -1.22 -3.44 118.70 120.11 2dwi s GLU 444 Ca 0.39 1.59 0.00 0.00 0.02 0.00 0.00 54.97 56.97 2dwi s GLU 444 Cb 0.06 -1.91 0.00 0.00 0.10 0.00 0.00 34.13 32.37 2dwi s GLU 444 CO 0.01 -1.40 0.00 0.41 0.02 0.00 0.00 175.26 174.31 2dwi n GLY 445 N -0.01 0.21 3.58 -1.39 0.00 -1.26 -4.95 105.19 101.37 2dwi n GLY 445 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 2dwi n GLY 445 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2dwi s LEU 446 N 0.00 4.19 0.00 0.99 2.96 -1.22 -4.92 118.68 120.68 2dwi s LEU 446 Ca 0.00 0.29 0.03 0.00 -0.22 0.00 0.00 54.13 54.22 2dwi s LEU 446 Cb 0.00 -2.87 -0.01 0.00 0.50 0.00 0.00 46.19 43.81 2dwi s LEU 446 CO 0.00 -0.60 0.09 0.35 -1.32 0.00 0.00 176.35 174.87 2dwi n THR 447 N 5.59 0.00 -0.07 3.68 -2.24 -1.26 -4.98 114.28 115.00 2dwi n THR 447 Ca 0.00 -1.87 0.03 0.00 -2.27 0.00 0.00 64.05 59.94 2dwi n THR 447 Cb 0.48 0.61 0.37 0.00 -2.10 0.00 0.00 70.33 69.70 2dwi n THR 447 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 175.07 174.25 2dwi h TRP 448 N 1.46 0.64 -0.11 4.78 2.91 -1.83 -2.48 115.95 121.33 2dwi h TRP 448 Ca -0.27 0.02 0.00 0.00 1.13 0.00 0.00 58.89 59.77 2dwi h TRP 448 Cb 0.96 -0.22 0.00 0.00 -0.51 0.00 0.00 29.16 29.40 2dwi h TRP 448 CO 0.00 0.40 0.00 0.09 -1.03 0.00 0.00 178.44 177.90 2dwi n ASN 449 N -4.46 0.84 -1.73 2.65 3.02 -1.26 -3.53 115.26 110.80 2dwi n ASN 449 Ca 0.05 -1.68 -0.03 0.00 -0.03 0.00 0.00 54.58 52.88 2dwi n ASN 449 Cb 0.06 -0.07 0.08 0.00 -0.61 0.00 0.00 39.78 39.23 2dwi n ASN 449 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2dwi n SER 450 N -0.18 2.29 0.15 6.41 3.41 -0.94 -4.80 113.62 119.96 2dwi n SER 450 Ca 0.12 -2.92 0.03 0.00 -0.26 0.00 0.00 58.87 55.85 2dwi n SER 450 Cb 0.18 -0.41 0.04 0.00 -0.26 0.00 0.00 64.21 63.76 2dwi n SER 450 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2dwi h LEU 451 N 1.69 0.00 -9.75 1.04 3.38 -1.60 -3.44 115.31 106.63 2dwi h LEU 451 Ca -0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 2dwi h LEU 451 Cb 1.43 0.00 0.07 0.00 0.09 0.00 0.00 40.66 42.25 2dwi h LEU 451 CO 0.26 0.45 0.94 -0.75 0.09 0.00 0.00 178.44 179.43 2dwi s LYS 452 N -2.99 4.11 0.00 1.13 2.20 -1.26 -1.80 119.74 121.13 2dwi s LYS 452 Ca 0.04 2.60 0.00 0.00 -0.36 0.00 0.00 55.97 58.26 2dwi s LYS 452 Cb 0.07 -3.04 0.00 0.00 -1.51 0.00 0.00 37.83 33.35 2dwi s LYS 452 CO 0.74 -0.69 0.00 -0.25 -0.36 0.00 0.00 175.35 174.79 2dwi n ASP 453 N 2.90 -3.47 -4.31 1.43 10.43 -0.18 -4.96 116.55 118.38 2dwi n ASP 453 Ca 0.11 0.00 -0.27 0.00 2.57 0.00 0.00 54.79 57.21 2dwi n ASP 453 Cb 0.36 -1.55 0.16 0.00 1.84 0.00 0.00 41.12 41.93 2dwi n ASP 453 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 2dwi s LYS 454 N -0.72 0.97 -0.18 -1.24 -0.14 -0.75 -3.95 119.74 113.73 2dwi s LYS 454 Ca 0.00 -0.90 -0.07 0.00 -1.36 0.00 0.00 55.97 53.64 2dwi s LYS 454 Cb 0.00 -2.08 -0.04 0.00 -1.68 0.00 0.00 37.83 34.02 2dwi s LYS 454 CO 0.00 -2.06 0.07 0.15 -0.76 0.00 0.00 175.35 172.75 2dwi s LYS 455 N -5.56 3.93 0.11 1.68 1.02 -1.26 -0.85 119.74 118.82 2dwi s LYS 455 Ca 0.72 -0.33 0.10 0.00 0.02 0.00 0.00 55.97 56.48 2dwi s LYS 455 Cb -0.03 -3.21 -0.04 0.00 -0.52 0.00 0.00 37.83 34.03 2dwi s LYS 455 CO 0.49 0.31 -0.24 -1.54 -0.92 0.00 0.00 175.35 173.45 2dwi s SER 456 N 0.26 3.46 -0.15 2.83 1.04 -0.41 0.37 113.70 121.09 2dwi s SER 456 Ca 0.04 -0.66 0.01 0.00 0.48 0.00 0.00 55.95 55.82 2dwi s SER 456 Cb -0.12 -0.33 0.02 0.00 0.10 0.00 0.00 66.02 65.69 2dwi s SER 456 CO 0.00 0.20 -0.19 0.00 0.98 0.00 0.00 173.24 174.23 2dwi s HIS 458 N 1.16 1.77 0.15 0.00 3.76 -0.60 -1.14 115.29 120.38 2dwi s HIS 458 Ca -0.00 -0.38 -0.16 0.00 -0.15 0.00 0.00 55.06 54.36 2dwi s HIS 458 Cb -0.14 -1.03 0.01 0.00 1.11 0.00 0.00 32.58 32.53 2dwi s HIS 458 CO -0.08 0.11 1.80 1.79 -0.85 0.00 0.00 174.74 177.52 2dwi h THR 459 N 4.30 1.08 0.00 1.30 1.35 -1.74 -3.41 112.91 115.79 2dwi h THR 459 Ca -0.43 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.26 2dwi h THR 459 Cb 1.17 0.54 0.00 0.00 -1.73 0.00 0.00 68.15 68.13 2dwi h THR 459 CO 0.43 0.09 0.00 0.00 -0.25 0.00 0.00 175.52 175.79 2dwi n ALA 460 N -2.21 0.00 -1.76 6.62 0.00 -1.26 -1.03 120.51 120.87 2dwi n ALA 460 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 2dwi n ALA 460 Cb 0.04 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.51 2dwi n ALA 460 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2dwi s VAL 461 N -2.00 2.16 0.00 0.00 1.01 0.56 -3.21 120.40 118.91 2dwi s VAL 461 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.11 2dwi s VAL 461 Cb 0.00 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.31 2dwi s VAL 461 CO 0.00 0.01 0.00 0.47 0.00 0.00 0.00 175.10 175.58 2dwi n ASP 462 N -0.65 -1.33 -4.92 3.32 8.00 -1.26 -4.98 116.55 114.74 2dwi n ASP 462 Ca 0.08 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.30 2dwi n ASP 462 Cb 0.44 -0.47 -0.03 0.00 -0.02 0.00 0.00 41.12 41.03 2dwi n ASP 462 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2dwi s ARG 463 N -0.14 3.55 0.02 -1.24 0.52 -1.20 -4.00 118.95 116.46 2dwi s ARG 463 Ca 0.00 -0.25 -0.11 0.00 -0.52 0.00 0.00 55.73 54.86 2dwi s ARG 463 Cb 0.00 -2.80 -0.06 0.00 0.52 0.00 0.00 34.95 32.61 2dwi s ARG 463 CO 0.00 0.37 1.16 1.15 0.02 0.00 0.00 175.30 178.00 2dwi h THR 464 N 1.57 0.00 0.00 0.02 2.02 -1.92 0.83 112.91 115.42 2dwi h THR 464 Ca -0.48 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 66.57 2dwi h THR 464 Cb 1.19 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.58 2dwi h THR 464 CO 0.68 0.00 -0.64 0.00 0.37 0.00 0.00 175.52 175.93 2dwi h ALA 465 N -1.79 0.84 0.00 6.16 0.00 -1.90 -1.40 119.26 121.17 2dwi h ALA 465 Ca -0.04 -0.58 -0.04 0.00 0.00 0.00 0.00 54.91 54.26 2dwi h ALA 465 Cb 0.29 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2dwi h ALA 465 CO 0.06 0.80 -0.66 0.78 0.00 0.00 0.00 179.25 180.22 2dwi h GLY 466 N 2.23 0.00 0.00 0.00 0.00 -1.66 -3.38 103.07 100.26 2dwi h GLY 466 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 2dwi h GLY 466 CO 0.08 0.00 0.00 1.87 0.00 0.00 0.00 176.54 178.49 2dwi n TRP 467 N -2.92 -1.03 -0.14 5.60 -0.00 -0.75 -4.25 117.44 113.94 2dwi n TRP 467 Ca 0.00 0.18 -0.03 0.00 -0.00 0.00 0.00 57.50 57.65 2dwi n TRP 467 Cb 0.61 0.60 0.05 0.00 -0.00 0.00 0.00 31.31 32.56 2dwi n TRP 467 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 177.69 176.78 2dwi h ASN 468 N 0.00 -0.12 0.54 5.87 2.35 -0.83 0.10 115.58 123.50 2dwi h ASN 468 Ca 0.00 0.10 -0.03 0.00 -0.55 0.00 0.00 56.30 55.82 2dwi h ASN 468 Cb 0.00 0.16 0.01 0.00 0.05 0.00 0.00 38.32 38.53 2dwi h ASN 468 CO 0.00 -0.03 -0.26 0.40 -1.65 0.00 0.00 177.43 175.90 2dwi h ILE 469 N 0.15 0.00 -0.86 2.81 1.08 -1.48 -1.68 117.51 117.53 2dwi h ILE 469 Ca 0.22 -0.46 -0.01 0.00 -0.39 0.00 0.00 64.86 64.22 2dwi h ILE 469 Cb 0.31 0.00 -0.04 0.00 -3.07 0.00 0.00 36.82 34.02 2dwi h ILE 469 CO -0.34 0.00 0.49 1.55 -0.69 0.00 0.00 178.15 179.16 2dwi h PRO 470 N -1.18 1.18 -0.07 2.37 0.13 -1.78 -1.55 132.00 131.09 2dwi h PRO 470 Ca -0.07 -0.12 -0.17 0.00 -0.87 0.00 0.00 66.00 64.76 2dwi h PRO 470 Cb 0.55 -0.24 -0.01 0.00 0.13 0.00 0.00 31.00 31.44 2dwi h PRO 470 CO 0.12 0.84 -0.70 0.52 -0.23 0.00 0.00 178.00 178.55 2dwi h MET 471 N 1.18 0.35 -0.68 0.86 2.86 -1.09 -1.84 114.93 116.57 2dwi h MET 471 Ca 0.30 -0.28 0.01 0.00 -2.06 0.00 0.00 59.70 57.68 2dwi h MET 471 Cb -0.01 0.06 -0.04 0.00 0.06 0.00 0.00 31.60 31.67 2dwi h MET 471 CO -0.05 0.92 0.45 0.78 1.06 0.00 0.00 176.91 180.06 2dwi h GLY 472 N 1.38 0.96 1.21 8.32 0.00 -1.03 0.11 103.07 114.01 2dwi h GLY 472 Ca -0.02 -0.35 -0.12 0.00 0.00 0.00 0.00 47.33 46.84 2dwi h GLY 472 CO 0.12 0.33 -0.18 1.41 0.00 0.00 0.00 176.54 178.22 2dwi h LEU 473 N 0.91 0.93 -0.44 3.11 3.38 -1.18 -1.88 115.31 120.13 2dwi h LEU 473 Ca 0.25 -0.33 -0.16 0.00 0.09 0.00 0.00 57.88 57.74 2dwi h LEU 473 Cb -0.08 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.41 2dwi h LEU 473 CO -0.06 1.09 -0.41 0.40 0.09 0.00 0.00 178.44 179.54 2dwi h ILE 474 N 0.80 1.28 0.23 1.22 2.04 -1.04 -0.55 117.51 121.49 2dwi h ILE 474 Ca 0.11 -1.58 -0.01 0.00 1.00 0.00 0.00 64.86 64.38 2dwi h ILE 474 Cb 0.73 1.44 0.00 0.00 -0.74 0.00 0.00 36.82 38.25 2dwi h ILE 474 CO 0.06 0.52 -0.11 0.58 0.00 0.00 0.00 178.15 179.20 2dwi h VAL 475 N 0.69 0.82 -0.57 1.67 2.07 -0.96 0.04 116.25 120.00 2dwi h VAL 475 Ca 0.05 -0.28 0.10 0.00 0.82 0.00 0.00 66.70 67.39 2dwi h VAL 475 Cb 0.99 0.98 -0.08 0.00 -1.52 0.00 0.00 31.29 31.66 2dwi h VAL 475 CO 0.09 0.06 0.14 0.78 0.02 0.00 0.00 177.57 178.66 2dwi h ASN 476 N -0.45 0.04 0.12 0.57 4.21 -1.30 0.60 115.58 119.38 2dwi h ASN 476 Ca -0.03 0.10 -0.14 0.00 1.21 0.00 0.00 56.30 57.44 2dwi h ASN 476 Cb 0.34 0.13 -0.01 0.00 -1.12 0.00 0.00 38.32 37.66 2dwi h ASN 476 CO 0.05 0.04 -0.50 1.56 -1.29 0.00 0.00 177.43 177.29 2dwi h GLN 477 N 0.28 0.43 -0.00 0.81 4.20 -0.97 -3.16 115.11 116.69 2dwi h GLN 477 Ca 0.30 -0.25 0.00 0.00 0.06 0.00 0.00 58.65 58.76 2dwi h GLN 477 Cb 0.42 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.22 2dwi h GLN 477 CO -0.37 0.83 -0.58 0.25 -0.67 0.00 0.00 178.83 178.30 2dwi n THR 478 N -3.97 0.00 -3.66 -0.54 -2.24 -0.01 -4.96 114.28 98.90 2dwi n THR 478 Ca -0.02 -0.01 -0.28 0.00 -2.27 0.00 0.00 64.05 61.47 2dwi n THR 478 Cb 0.56 0.42 0.02 0.00 -2.10 0.00 0.00 70.33 69.23 2dwi n THR 478 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2dwi n GLY 479 N 1.49 -0.50 3.03 3.38 0.00 0.18 -4.98 105.19 107.79 2dwi n GLY 479 Ca 0.06 0.16 -0.12 0.00 0.00 0.00 0.00 46.02 46.12 2dwi n GLY 479 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dwi s SER 480 N -3.08 -0.05 0.00 1.61 0.15 -1.22 -5.03 113.70 106.08 2dwi s SER 480 Ca 0.56 0.06 0.25 0.00 0.70 0.00 0.00 55.95 57.52 2dwi s SER 480 Cb -0.28 0.23 0.99 0.00 -1.71 0.00 0.00 66.02 65.25 2dwi s SER 480 CO 0.69 -0.16 1.70 0.00 1.20 0.00 0.00 173.24 176.67 2dwi n ALA 482 N 0.14 5.64 0.15 0.00 0.00 -1.26 -4.50 120.51 120.68 2dwi n ALA 482 Ca 0.18 -1.44 0.10 0.00 0.00 0.00 0.00 53.44 52.28 2dwi n ALA 482 Cb 0.33 -2.14 0.52 0.00 0.00 0.00 0.00 19.45 18.16 2dwi n ALA 482 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 2dwi n PHE 483 N 2.39 0.65 0.94 0.00 -1.74 -1.26 -0.70 117.46 117.75 2dwi n PHE 483 Ca 0.34 0.34 0.12 0.00 -0.56 0.00 0.00 57.45 57.69 2dwi n PHE 483 Cb 0.79 -1.04 0.56 0.00 1.52 0.00 0.00 39.48 41.31 2dwi n PHE 483 CO 0.00 0.00 0.00 -3.47 -0.56 0.00 0.00 176.76 172.73 2dwi n ASP 484 N -2.17 0.00 -0.05 5.98 4.64 -1.26 -3.56 116.55 120.13 2dwi n ASP 484 Ca -0.01 0.39 0.01 0.00 -1.38 0.00 0.00 54.79 53.79 2dwi n ASP 484 Cb 0.03 -0.46 -0.00 0.00 -1.04 0.00 0.00 41.12 39.65 2dwi n ASP 484 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 2dwi n GLU 485 N -1.46 2.62 0.15 -0.67 1.02 0.13 -4.76 120.64 117.66 2dwi n GLU 485 Ca 0.07 -0.34 -0.14 0.00 -0.02 0.00 0.00 57.16 56.74 2dwi n GLU 485 Cb 0.28 -0.83 -0.08 0.00 -0.02 0.00 0.00 31.44 30.78 2dwi n GLU 485 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 2dwi h PHE 486 N 0.24 -0.32 -3.41 -0.32 3.57 -1.60 -3.44 116.94 111.66 2dwi h PHE 486 Ca 0.00 -0.01 -0.54 0.00 3.53 0.00 0.00 57.97 60.95 2dwi h PHE 486 Cb 0.07 0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.89 2dwi h PHE 486 CO 0.00 -0.07 -0.08 -0.06 -2.23 0.00 0.00 178.31 175.87 2dwi s PHE 487 N -5.37 3.50 0.19 0.41 0.08 -1.26 -1.01 117.98 114.51 2dwi s PHE 487 Ca -0.15 0.99 -0.07 0.00 0.12 0.00 0.00 56.93 57.82 2dwi s PHE 487 Cb 0.04 -2.33 0.10 0.00 -0.57 0.00 0.00 43.02 40.25 2dwi s PHE 487 CO 0.61 0.32 1.57 0.66 -0.10 0.00 0.00 175.22 178.28 2dwi h SER 488 N 2.96 0.86 -4.49 1.36 4.64 -1.12 -3.45 113.55 114.31 2dwi h SER 488 Ca -0.48 -0.35 -0.10 0.00 -0.47 0.00 0.00 61.79 60.40 2dwi h SER 488 Cb 1.18 -0.24 -0.21 0.00 -0.31 0.00 0.00 62.40 62.82 2dwi h SER 488 CO 0.67 1.09 -0.13 -1.10 -0.87 0.00 0.00 176.83 176.50 2dwi s GLN 489 N -4.51 0.70 0.15 4.77 -0.21 -1.25 -4.92 119.66 114.39 2dwi s GLN 489 Ca -0.10 0.30 -0.05 0.00 0.02 0.00 0.00 55.36 55.52 2dwi s GLN 489 Cb 0.12 0.33 -0.02 0.00 1.00 0.00 0.00 33.01 34.44 2dwi s GLN 489 CO 0.85 -0.16 0.18 -1.12 -2.12 0.00 0.00 175.29 172.93 2dwi s SER 490 N -0.57 0.16 -0.24 5.90 0.01 -0.42 -1.29 113.70 117.24 2dwi s SER 490 Ca -0.07 -1.04 0.00 0.00 1.31 0.00 0.00 55.95 56.16 2dwi s SER 490 Cb -0.03 0.38 0.04 0.00 0.21 0.00 0.00 66.02 66.61 2dwi s SER 490 CO 0.04 -0.83 -0.10 0.00 0.41 0.00 0.00 173.24 172.76 2dwi s ALA 492 N 1.24 1.79 0.17 0.00 0.00 -0.11 -1.56 121.76 123.31 2dwi s ALA 492 Ca -0.02 -2.61 -0.33 0.00 0.00 0.00 0.00 51.96 49.00 2dwi s ALA 492 Cb -0.17 -1.71 -0.16 0.00 0.00 0.00 0.00 23.12 21.08 2dwi s ALA 492 CO -0.06 -2.02 1.14 -2.30 0.00 0.00 0.00 175.76 172.52 2dwi n PRO 493 N 2.92 1.12 0.00 0.00 -0.02 -1.26 -2.33 135.00 135.43 2dwi n PRO 493 Ca 0.24 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 2dwi n PRO 493 Cb 0.43 -1.88 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 2dwi n PRO 493 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2dwi n GLY 494 N 1.97 0.17 3.97 -1.23 0.00 -0.27 -0.32 105.19 109.47 2dwi n GLY 494 Ca 0.15 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.91 2dwi n GLY 494 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dwi s ALA 495 N -2.00 3.24 -0.02 4.61 0.00 -0.98 -4.92 121.76 121.69 2dwi s ALA 495 Ca 0.00 -1.53 -0.30 0.00 0.00 0.00 0.00 51.96 50.13 2dwi s ALA 495 Cb 0.00 -2.27 -0.07 0.00 0.00 0.00 0.00 23.12 20.79 2dwi s ALA 495 CO 0.00 -1.74 1.71 0.34 0.00 0.00 0.00 175.76 176.07 2dwi s ASP 496 N -4.77 6.62 0.62 0.00 2.15 -1.26 -4.88 116.67 115.15 2dwi s ASP 496 Ca 0.68 2.35 0.34 0.00 0.43 0.00 0.00 52.55 56.35 2dwi s ASP 496 Cb -0.05 -2.54 1.93 0.00 -0.30 0.00 0.00 42.92 41.96 2dwi s ASP 496 CO 0.47 -0.94 2.20 -0.65 -0.17 0.00 0.00 175.17 176.07 2dwi h PRO 497 N 9.59 0.00 -0.00 4.34 0.11 -1.94 0.25 132.00 144.35 2dwi h PRO 497 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 2dwi h PRO 497 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2dwi h PRO 497 CO 0.95 0.00 -0.17 1.63 -0.21 0.00 0.00 178.00 180.20 2dwi n LYS 498 N -3.48 0.09 -2.54 1.05 4.01 -1.26 -4.72 118.16 111.31 2dwi n LYS 498 Ca -0.01 -0.03 -0.22 0.00 -0.51 0.00 0.00 58.31 57.54 2dwi n LYS 498 Cb 0.20 -1.50 0.05 0.00 -0.51 0.00 0.00 35.03 33.27 2dwi n LYS 498 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 2dwi s SER 499 N -2.92 5.11 0.49 4.39 1.04 0.07 -4.99 113.70 116.88 2dwi s SER 499 Ca 0.15 0.06 0.26 0.00 0.48 0.00 0.00 55.95 56.90 2dwi s SER 499 Cb 0.19 -0.85 1.23 0.00 0.10 0.00 0.00 66.02 66.69 2dwi s SER 499 CO 0.57 -1.29 1.96 0.08 0.98 0.00 0.00 173.24 175.54 2dwi h ARG 500 N -0.11 0.00 0.00 4.02 0.11 -1.91 -1.90 114.38 114.59 2dwi h ARG 500 Ca -0.42 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.66 2dwi h ARG 500 Cb 1.30 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.38 2dwi h ARG 500 CO 0.53 0.16 0.00 1.28 0.10 0.00 0.00 179.97 182.04 2dwi n LEU 501 N -3.49 0.43 -0.14 0.08 4.77 -1.26 -1.30 117.00 116.08 2dwi n LEU 501 Ca -0.01 0.66 0.02 0.00 -0.03 0.00 0.00 56.01 56.65 2dwi n LEU 501 Cb 0.32 -0.67 0.01 0.00 -2.33 0.00 0.00 43.42 40.75 2dwi n LEU 501 CO 0.31 -0.70 0.29 0.00 -1.33 0.00 0.00 177.39 175.96 2dwi h ALA 503 N 0.69 2.09 -0.01 0.00 0.00 -1.25 -2.21 119.26 118.57 2dwi h ALA 503 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2dwi h ALA 503 Cb 0.15 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2dwi h ALA 503 CO 0.00 -0.24 -0.56 1.28 0.00 0.00 0.00 179.25 179.73 2dwi n LEU 504 N -4.46 1.17 -4.80 0.00 4.32 -0.45 -4.93 117.00 107.85 2dwi n LEU 504 Ca 0.11 -0.40 -0.32 0.00 -0.02 0.00 0.00 56.01 55.37 2dwi n LEU 504 Cb 0.43 -0.09 0.02 0.00 -1.62 0.00 0.00 43.42 42.17 2dwi n LEU 504 CO 0.34 0.24 0.72 0.00 -1.22 0.00 0.00 177.39 177.47 2dwi n ALA 506 N -2.27 2.17 -0.32 0.00 0.00 -1.26 -4.83 120.51 114.00 2dwi n ALA 506 Ca 0.09 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2dwi n ALA 506 Cb 0.53 -0.11 0.00 0.00 0.00 0.00 0.00 19.45 19.87 2dwi n ALA 506 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dwi n GLY 507 N 2.08 -0.58 0.00 0.00 0.00 -1.26 -4.41 105.19 101.01 2dwi n GLY 507 Ca -0.00 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.90 2dwi n GLY 507 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2dwi n ASP 508 N -0.83 0.00 0.05 1.61 5.68 0.77 -1.62 116.55 122.21 2dwi n ASP 508 Ca 0.00 -0.79 0.04 0.00 -0.50 0.00 0.00 54.79 53.54 2dwi n ASP 508 Cb 0.00 0.00 0.21 0.00 -1.14 0.00 0.00 41.12 40.19 2dwi n ASP 508 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 2dwi n ASP 509 N -2.38 0.19 -0.27 -1.12 5.75 -1.26 -1.07 116.55 116.39 2dwi n ASP 509 Ca 0.00 0.58 0.03 0.00 -0.01 0.00 0.00 54.79 55.39 2dwi n ASP 509 Cb 0.00 -0.61 0.05 0.00 -1.03 0.00 0.00 41.12 39.53 2dwi n ASP 509 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2dwi n GLN 510 N -1.75 1.04 -1.01 0.11 6.02 -1.26 -4.97 117.38 115.57 2dwi n GLN 510 Ca -0.00 -1.22 -0.00 0.00 -0.01 0.00 0.00 57.00 55.77 2dwi n GLN 510 Cb 0.03 -1.12 -0.00 0.00 1.02 0.00 0.00 30.24 30.16 2dwi n GLN 510 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2dwi n GLY 511 N 0.21 0.47 3.92 1.08 0.00 -0.23 -5.03 105.19 105.60 2dwi n GLY 511 Ca 0.04 -0.18 -0.26 0.00 0.00 0.00 0.00 46.02 45.63 2dwi n GLY 511 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dwi s LEU 512 N -0.04 3.68 -1.48 0.99 1.43 -1.26 -4.34 118.68 117.65 2dwi s LEU 512 Ca 0.00 0.75 -0.01 0.00 -1.03 0.00 0.00 54.13 53.83 2dwi s LEU 512 Cb 0.00 -3.66 0.00 0.00 0.03 0.00 0.00 46.19 42.56 2dwi s LEU 512 CO 0.00 -0.57 0.19 0.47 0.23 0.00 0.00 176.35 176.67 2dwi n ASP 513 N -2.17 -5.38 -4.69 2.29 8.00 -1.26 -0.16 116.55 113.18 2dwi n ASP 513 Ca -0.00 -0.10 -0.44 0.00 0.71 0.00 0.00 54.79 54.96 2dwi n ASP 513 Cb 0.56 -4.36 -0.04 0.00 -0.02 0.00 0.00 41.12 37.26 2dwi n ASP 513 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 2dwi n LYS 514 N -3.05 2.51 -1.01 -1.24 4.81 -1.26 -1.98 118.16 116.94 2dwi n LYS 514 Ca -0.17 0.91 -0.01 0.00 -0.87 0.00 0.00 58.31 58.17 2dwi n LYS 514 Cb 0.64 -2.74 -0.00 0.00 0.02 0.00 0.00 35.03 32.95 2dwi n LYS 514 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2dwi s VAL 516 N -1.67 3.06 -1.37 0.00 -7.23 -0.84 -1.12 120.40 111.24 2dwi s VAL 516 Ca 0.00 0.99 -0.09 0.00 -1.81 0.00 0.00 61.98 61.08 2dwi s VAL 516 Cb 0.00 -3.60 0.09 0.00 0.56 0.00 0.00 36.38 33.43 2dwi s VAL 516 CO 0.00 0.18 2.25 -0.81 -0.31 0.00 0.00 175.10 176.41 2dwi n PRO 517 N 0.57 3.82 -3.97 4.82 -0.04 -1.26 -4.40 135.00 134.54 2dwi n PRO 517 Ca 0.02 -3.16 -0.09 0.00 -0.04 0.00 0.00 63.50 60.23 2dwi n PRO 517 Cb 0.44 -2.87 -0.05 0.00 -0.04 0.00 0.00 33.50 30.98 2dwi n PRO 517 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2dwi s ASN 518 N 1.26 -0.11 0.00 3.54 2.20 -1.26 -4.48 114.94 116.09 2dwi s ASN 518 Ca 0.50 -0.88 0.11 0.00 -0.94 0.00 0.00 52.86 51.65 2dwi s ASN 518 Cb 0.14 0.60 0.64 0.00 -2.00 0.00 0.00 41.25 40.63 2dwi s ASN 518 CO -0.05 -1.15 1.09 -1.54 -2.94 0.00 0.00 177.10 172.51 2dwi n SER 519 N -0.38 0.00 0.11 3.54 3.41 -1.26 -1.82 113.62 117.22 2dwi n SER 519 Ca -0.02 -0.71 -0.03 0.00 -0.26 0.00 0.00 58.87 57.84 2dwi n SER 519 Cb 0.62 0.00 0.13 0.00 -0.26 0.00 0.00 64.21 64.69 2dwi n SER 519 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2dwi h LYS 520 N 0.00 0.09 -6.25 4.33 1.57 -1.94 -3.42 116.57 110.95 2dwi h LYS 520 Ca 0.00 -0.07 -0.56 0.00 -1.87 0.00 0.00 60.65 58.16 2dwi h LYS 520 Cb 0.00 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 2dwi h LYS 520 CO 0.00 0.71 0.89 -2.00 -0.57 0.00 0.00 179.45 178.48 2dwi s GLU 521 N -3.58 4.25 0.30 3.15 2.56 -0.75 -3.25 118.70 121.38 2dwi s GLU 521 Ca -0.02 1.84 0.05 0.00 0.00 0.00 0.00 54.97 56.83 2dwi s GLU 521 Cb 0.12 -3.73 0.77 0.00 2.00 0.00 0.00 34.13 33.29 2dwi s GLU 521 CO 0.78 -0.66 1.69 -0.22 -0.56 0.00 0.00 175.26 176.29 2dwi h LYS 522 N 8.24 0.36 -0.78 4.30 3.64 -1.56 -2.46 116.57 128.31 2dwi h LYS 522 Ca -0.33 -0.02 -0.29 0.00 -1.27 0.00 0.00 60.65 58.74 2dwi h LYS 522 Cb 1.14 -0.08 -0.17 0.00 -0.41 0.00 0.00 32.23 32.71 2dwi h LYS 522 CO 0.94 0.24 0.35 0.66 -2.27 0.00 0.00 179.45 179.37 2dwi n TYR 523 N -5.07 2.54 -3.02 1.91 4.01 -1.26 -4.50 117.16 111.77 2dwi n TYR 523 Ca 0.23 -1.38 -0.35 0.00 -0.16 0.00 0.00 57.90 56.23 2dwi n TYR 523 Cb 0.69 -0.74 -0.06 0.00 -0.31 0.00 0.00 39.34 38.92 2dwi n TYR 523 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 2dwi s TYR 524 N -3.09 3.57 0.00 -0.72 5.04 -0.93 -2.70 117.35 118.52 2dwi s TYR 524 Ca 0.55 1.45 0.00 0.00 -2.44 0.00 0.00 57.07 56.63 2dwi s TYR 524 Cb 0.45 -2.68 0.00 0.00 0.35 0.00 0.00 41.96 40.08 2dwi s TYR 524 CO 0.12 0.22 0.00 0.41 -1.34 0.00 0.00 175.55 174.96 2dwi n GLY 525 N 0.34 -2.54 0.18 8.97 0.00 -0.20 -2.10 105.19 109.85 2dwi n GLY 525 Ca 0.01 -1.61 -0.09 0.00 0.00 0.00 0.00 46.02 44.32 2dwi n GLY 525 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2dwi h TYR 526 N 0.00 -0.32 -0.36 1.61 0.05 -1.93 -0.79 116.97 115.22 2dwi h TYR 526 Ca 0.00 0.02 -0.04 0.00 0.05 0.00 0.00 58.73 58.76 2dwi h TYR 526 Cb 0.00 0.16 -0.01 0.00 1.01 0.00 0.00 36.73 37.89 2dwi h TYR 526 CO 0.00 -0.19 0.07 1.15 -1.05 0.00 0.00 178.16 178.14 2dwi h THR 527 N -0.16 1.23 -0.35 -2.88 2.02 -1.88 -2.44 112.91 108.45 2dwi h THR 527 Ca 0.09 -0.81 -0.01 0.00 0.77 0.00 0.00 66.41 66.44 2dwi h THR 527 Cb 0.28 1.07 -0.02 0.00 -1.74 0.00 0.00 68.15 67.75 2dwi h THR 527 CO -0.21 0.27 0.17 1.23 0.37 0.00 0.00 175.52 177.36 2dwi h GLY 528 N 0.43 0.53 1.41 2.16 0.00 -1.31 -0.75 103.07 105.55 2dwi h GLY 528 Ca 0.11 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.17 2dwi h GLY 528 CO 0.00 0.25 0.30 0.00 0.00 0.00 0.00 176.54 177.09 2dwi h ALA 529 N 1.03 1.47 -0.02 3.60 0.00 -0.93 -0.97 119.26 123.45 2dwi h ALA 529 Ca 0.12 -0.09 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 2dwi h ALA 529 Cb 0.10 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2dwi h ALA 529 CO -0.02 0.43 -0.73 0.35 0.00 0.00 0.00 179.25 179.28 2dwi h PHE 530 N 0.78 0.19 -0.55 0.00 3.57 -1.17 -2.84 116.94 116.93 2dwi h PHE 530 Ca 0.20 -0.09 -0.08 0.00 3.53 0.00 0.00 57.97 61.53 2dwi h PHE 530 Cb 0.03 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.72 2dwi h PHE 530 CO 0.00 0.82 0.03 -0.09 -2.23 0.00 0.00 178.31 176.84 2dwi h ARG 531 N 0.09 0.91 -0.93 1.11 2.43 -0.74 -0.53 114.38 116.72 2dwi h ARG 531 Ca -0.02 -0.25 0.04 0.00 -0.81 0.00 0.00 59.98 58.95 2dwi h ARG 531 Cb 1.29 -0.10 -0.06 0.00 -0.42 0.00 0.00 29.97 30.68 2dwi h ARG 531 CO 0.11 0.89 0.61 0.00 -1.51 0.00 0.00 179.97 180.06 2dwi h LEU 533 N 1.14 -0.08 -1.57 0.00 5.85 -1.25 -1.46 115.31 117.93 2dwi h LEU 533 Ca 0.38 -0.51 0.17 0.00 0.84 0.00 0.00 57.88 58.76 2dwi h LEU 533 Cb 0.07 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.07 2dwi h LEU 533 CO -0.13 0.51 0.53 0.00 -0.34 0.00 0.00 178.44 179.02 2dwi h ALA 534 N 0.09 2.16 -0.11 1.25 0.00 -0.70 0.16 119.26 122.11 2dwi h ALA 534 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2dwi h ALA 534 Cb 0.58 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2dwi h ALA 534 CO 0.02 -0.38 0.00 0.39 0.00 0.00 0.00 179.25 179.27 2dwi n GLU 535 N -4.48 1.71 -2.16 0.00 1.02 -0.22 -4.92 120.64 111.59 2dwi n GLU 535 Ca 0.16 -1.06 -0.17 0.00 -0.02 0.00 0.00 57.16 56.07 2dwi n GLU 535 Cb 0.59 -1.43 -0.02 0.00 -0.02 0.00 0.00 31.44 30.56 2dwi n GLU 535 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2dwi n ASP 536 N 0.28 -5.04 -0.04 1.62 8.00 0.57 -4.90 116.55 117.03 2dwi n ASP 536 Ca 0.17 0.07 -0.15 0.00 0.71 0.00 0.00 54.79 55.60 2dwi n ASP 536 Cb 0.34 -4.12 -0.08 0.00 -0.02 0.00 0.00 41.12 37.24 2dwi n ASP 536 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2dwi h VAL 537 N 0.00 1.38 -1.80 2.53 2.07 -1.48 -3.46 116.25 115.48 2dwi h VAL 537 Ca -0.40 -1.62 -0.57 0.00 0.82 0.00 0.00 66.70 64.94 2dwi h VAL 537 Cb 1.26 2.10 -0.09 0.00 -1.52 0.00 0.00 31.29 33.04 2dwi h VAL 537 CO 0.49 0.48 -0.56 -0.83 0.02 0.00 0.00 177.57 177.16 2dwi s GLY 538 N -3.71 2.14 0.10 2.17 0.00 -0.96 -4.92 107.32 102.14 2dwi s GLY 538 Ca -0.14 -1.99 0.19 0.00 0.00 0.00 0.00 44.72 42.78 2dwi s GLY 538 CO 0.79 -1.88 0.88 1.22 0.00 0.00 0.00 173.10 174.11 2dwi n ASP 539 N -1.08 0.85 -3.83 1.64 8.00 0.16 -4.62 116.55 117.67 2dwi n ASP 539 Ca -0.03 0.36 -0.13 0.00 0.71 0.00 0.00 54.79 55.70 2dwi n ASP 539 Cb 0.63 0.26 -0.14 0.00 -0.02 0.00 0.00 41.12 41.85 2dwi n ASP 539 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2dwi s VAL 540 N -3.06 -0.02 -0.08 2.53 0.11 -0.94 -4.43 120.40 114.52 2dwi s VAL 540 Ca -0.02 0.07 0.03 0.00 -2.93 0.00 0.00 61.98 59.13 2dwi s VAL 540 Cb 0.09 -0.08 -0.02 0.00 -1.53 0.00 0.00 36.38 34.84 2dwi s VAL 540 CO 0.81 0.03 -0.15 0.00 -3.33 0.00 0.00 175.10 172.46 2dwi s ALA 541 N 0.40 2.59 -0.48 1.54 0.00 -0.29 -0.11 121.76 125.41 2dwi s ALA 541 Ca -0.03 -0.96 -0.09 0.00 0.00 0.00 0.00 51.96 50.88 2dwi s ALA 541 Cb -0.05 -1.02 0.12 0.00 0.00 0.00 0.00 23.12 22.18 2dwi s ALA 541 CO -0.01 0.44 0.36 -0.06 0.00 0.00 0.00 175.76 176.49 2dwi s PHE 542 N -0.31 3.43 0.00 0.00 0.08 -0.30 -0.59 117.98 120.29 2dwi s PHE 542 Ca 0.02 -1.88 0.00 0.00 0.12 0.00 0.00 56.93 55.19 2dwi s PHE 542 Cb -0.13 -3.51 0.00 0.00 -0.57 0.00 0.00 43.02 38.81 2dwi s PHE 542 CO 0.03 -0.99 0.00 1.33 -0.10 0.00 0.00 175.22 175.48 2dwi n VAL 543 N 4.87 0.00 -4.21 -0.44 0.24 -0.98 -3.80 118.33 114.02 2dwi n VAL 543 Ca -0.07 0.00 -0.23 0.00 -2.04 0.00 0.00 64.34 61.99 2dwi n VAL 543 Cb 0.41 0.00 -0.07 0.00 -1.47 0.00 0.00 33.84 32.71 2dwi n VAL 543 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 2dwi s LYS 544 N 0.73 2.30 0.26 7.34 -2.85 -1.26 -0.86 119.74 125.41 2dwi s LYS 544 Ca 0.00 -1.53 -0.01 0.00 -1.00 0.00 0.00 55.97 53.43 2dwi s LYS 544 Cb 0.00 -2.13 0.53 0.00 -2.06 0.00 0.00 37.83 34.16 2dwi s LYS 544 CO 0.00 0.21 1.76 -0.97 0.10 0.00 0.00 175.35 176.45 2dwi h ASN 545 N 1.71 0.53 -0.24 0.03 -1.24 -1.47 -2.32 115.58 112.58 2dwi h ASN 545 Ca -0.44 0.09 -0.01 0.00 0.71 0.00 0.00 56.30 56.65 2dwi h ASN 545 Cb 1.25 0.01 -0.01 0.00 0.73 0.00 0.00 38.32 40.29 2dwi h ASN 545 CO 0.63 0.23 0.13 0.44 -1.29 0.00 0.00 177.43 177.56 2dwi h ASP 546 N 0.63 0.34 -0.54 1.15 5.19 -1.96 -2.99 116.42 118.23 2dwi h ASP 546 Ca 0.46 -0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.85 2dwi h ASP 546 Cb 0.64 -0.09 -0.03 0.00 0.18 0.00 0.00 39.33 40.04 2dwi h ASP 546 CO -0.36 0.30 0.34 0.74 -3.12 0.00 0.00 179.24 177.14 2dwi h THR 547 N 0.39 1.15 0.05 0.35 2.02 -1.82 -1.42 112.91 113.63 2dwi h THR 547 Ca 0.10 -0.29 0.02 0.00 0.77 0.00 0.00 66.41 67.00 2dwi h THR 547 Cb 0.05 0.38 -0.03 0.00 -1.74 0.00 0.00 68.15 66.82 2dwi h THR 547 CO -0.01 0.15 -0.16 0.58 0.37 0.00 0.00 175.52 176.44 2dwi h VAL 548 N 0.73 0.62 -0.71 3.16 2.07 -1.65 -2.65 116.25 117.82 2dwi h VAL 548 Ca 0.20 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.71 2dwi h VAL 548 Cb -0.06 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 2dwi h VAL 548 CO -0.04 0.00 0.40 -0.50 0.02 0.00 0.00 177.57 177.45 2dwi h TRP 549 N -0.30 0.94 0.00 1.57 4.06 -1.58 -2.98 115.95 117.66 2dwi h TRP 549 Ca 0.04 -0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.98 2dwi h TRP 549 Cb 0.33 -0.31 0.00 0.00 -1.00 0.00 0.00 29.16 28.19 2dwi h TRP 549 CO -0.19 0.64 0.00 0.93 -3.56 0.00 0.00 178.44 176.26 2dwi h GLU 550 N 0.98 0.00 -0.04 0.49 5.08 -1.11 -3.25 114.58 116.72 2dwi h GLU 550 Ca 0.25 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.60 2dwi h GLU 550 Cb -0.01 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2dwi h GLU 550 CO -0.04 0.00 -0.13 0.09 -1.00 0.00 0.00 179.01 177.92 2dwi n ASN 551 N -2.35 2.33 -4.17 1.42 3.02 -1.01 -3.25 115.26 111.24 2dwi n ASN 551 Ca 0.05 -3.33 -0.11 0.00 -0.03 0.00 0.00 54.58 51.16 2dwi n ASN 551 Cb 0.43 -0.48 -0.10 0.00 -0.61 0.00 0.00 39.78 39.03 2dwi n ASN 551 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2dwi s THR 552 N -2.99 0.61 -1.46 3.41 -4.23 -1.14 -4.76 115.64 105.09 2dwi s THR 552 Ca 0.35 -1.93 -0.03 0.00 -1.18 0.00 0.00 61.69 58.90 2dwi s THR 552 Cb 0.32 -1.75 0.00 0.00 1.34 0.00 0.00 72.50 72.41 2dwi s THR 552 CO 0.01 -0.81 0.45 0.59 -0.54 0.00 0.00 174.62 174.31 2dwi n ASN 553 N -0.06 -5.69 0.00 3.99 4.13 0.87 -2.24 115.26 116.27 2dwi n ASN 553 Ca -0.11 -0.21 0.00 0.00 1.68 0.00 0.00 54.58 55.94 2dwi n ASN 553 Cb 0.61 -4.56 0.00 0.00 -1.54 0.00 0.00 39.78 34.30 2dwi n ASN 553 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2dwi n GLY 554 N -1.37 0.72 0.21 7.41 0.00 -1.26 -4.91 105.19 105.98 2dwi n GLY 554 Ca -0.13 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.97 2dwi n GLY 554 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2dwi h GLU 555 N 1.93 0.00 -6.20 1.61 4.39 -1.70 -3.41 114.58 111.20 2dwi h GLU 555 Ca 0.00 0.00 -0.69 0.00 0.34 0.00 0.00 59.36 59.01 2dwi h GLU 555 Cb 0.03 0.00 -0.23 0.00 -0.10 0.00 0.00 28.75 28.45 2dwi h GLU 555 CO 0.00 0.29 -0.76 0.45 -1.16 0.00 0.00 179.01 177.83 2dwi s SER 556 N -6.41 4.08 0.00 1.42 0.15 -1.20 -4.88 113.70 106.85 2dwi s SER 556 Ca -0.01 -0.20 0.22 0.00 0.70 0.00 0.00 55.95 56.67 2dwi s SER 556 Cb 0.12 -0.96 0.24 0.00 -1.71 0.00 0.00 66.02 63.71 2dwi s SER 556 CO 0.66 0.33 1.25 0.35 1.20 0.00 0.00 173.24 177.03 2dwi n THR 557 N 2.43 0.14 -1.56 6.45 -2.24 -1.26 -4.13 114.28 114.10 2dwi n THR 557 Ca -0.17 -0.57 -0.37 0.00 -2.27 0.00 0.00 64.05 60.67 2dwi n THR 557 Cb 0.52 1.34 0.06 0.00 -2.10 0.00 0.00 70.33 70.15 2dwi n THR 557 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dwi n ALA 558 N 1.30 -0.01 0.17 6.98 0.00 -1.26 -4.71 120.51 122.98 2dwi n ALA 558 Ca 0.15 -0.04 0.02 0.00 0.00 0.00 0.00 53.44 53.56 2dwi n ALA 558 Cb 0.57 -2.09 0.35 0.00 0.00 0.00 0.00 19.45 18.28 2dwi n ALA 558 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2dwi h ASP 559 N 0.29 0.05 1.45 0.00 3.58 -2.01 -1.08 116.42 118.70 2dwi h ASP 559 Ca -0.48 -0.02 -0.08 0.00 0.42 0.00 0.00 57.03 56.87 2dwi h ASP 559 Cb 1.36 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 42.39 2dwi h ASP 559 CO 0.49 0.39 -0.37 4.11 -2.88 0.00 0.00 179.24 180.99 2dwi h TRP 560 N 0.04 0.00 0.00 0.28 5.08 -1.98 -3.35 115.95 116.01 2dwi h TRP 560 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 2dwi h TRP 560 Cb 0.64 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.80 2dwi h TRP 560 CO 0.00 0.37 -0.92 0.00 -1.28 0.00 0.00 178.44 176.62 2dwi n ALA 561 N -2.21 4.00 -0.33 0.11 0.00 -0.87 -4.65 120.51 116.57 2dwi n ALA 561 Ca 0.02 -0.47 -0.01 0.00 0.00 0.00 0.00 53.44 52.98 2dwi n ALA 561 Cb 0.64 -0.61 0.03 0.00 0.00 0.00 0.00 19.45 19.52 2dwi n ALA 561 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2dwi n LYS 562 N -1.48 -0.21 -0.20 0.00 5.02 -0.46 -2.34 118.16 118.48 2dwi n LYS 562 Ca 0.02 1.33 0.11 0.00 -2.02 0.00 0.00 58.31 57.76 2dwi n LYS 562 Cb 0.29 -1.98 0.21 0.00 -0.02 0.00 0.00 35.03 33.53 2dwi n LYS 562 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2dwi n ASN 563 N -5.27 3.39 -4.73 4.39 3.02 -1.26 -4.33 115.26 110.47 2dwi n ASN 563 Ca 0.09 -1.96 -0.41 0.00 -0.03 0.00 0.00 54.58 52.26 2dwi n ASN 563 Cb 0.34 -0.26 -0.03 0.00 -0.61 0.00 0.00 39.78 39.22 2dwi n ASN 563 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2dwi s LEU 564 N -1.34 4.41 -0.09 3.41 1.43 -0.99 -4.94 118.68 120.58 2dwi s LEU 564 Ca 0.37 2.32 0.02 0.00 -1.03 0.00 0.00 54.13 55.81 2dwi s LEU 564 Cb 0.21 -3.60 -0.02 0.00 0.03 0.00 0.00 46.19 42.81 2dwi s LEU 564 CO 0.29 -0.50 -0.16 -0.75 0.23 0.00 0.00 176.35 175.46 2dwi s LYS 565 N 0.09 2.96 0.38 1.70 2.36 -1.26 -0.09 119.74 125.87 2dwi s LYS 565 Ca 0.57 -0.73 0.16 0.00 -2.55 0.00 0.00 55.97 53.41 2dwi s LYS 565 Cb -0.35 -2.46 1.03 0.00 -1.05 0.00 0.00 37.83 35.00 2dwi s LYS 565 CO 0.36 0.37 1.77 0.00 1.55 0.00 0.00 175.35 179.40 2dwi h ARG 566 N 6.16 0.45 0.00 4.03 3.08 -1.93 -1.51 114.38 124.66 2dwi h ARG 566 Ca -0.33 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.69 2dwi h ARG 566 Cb 1.19 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.14 2dwi h ARG 566 CO 0.52 0.30 0.00 -1.91 -1.07 0.00 0.00 179.97 177.81 2dwi n GLU 567 N -4.68 0.11 0.00 0.04 0.00 -1.26 -2.11 120.64 112.75 2dwi n GLU 567 Ca 0.25 0.40 0.15 0.00 0.00 0.00 0.00 57.16 57.96 2dwi n GLU 567 Cb 0.82 -1.74 0.77 0.00 0.00 0.00 0.00 31.44 31.29 2dwi n GLU 567 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2dwi n ASP 568 N -1.96 0.54 -4.34 4.31 8.00 -0.57 -4.80 116.55 117.73 2dwi n ASP 568 Ca 0.02 -1.10 -0.24 0.00 0.71 0.00 0.00 54.79 54.18 2dwi n ASP 568 Cb 0.17 -0.01 -0.12 0.00 -0.02 0.00 0.00 41.12 41.14 2dwi n ASP 568 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2dwi s PHE 569 N -2.06 1.94 0.01 1.24 0.08 -0.90 0.16 117.98 118.45 2dwi s PHE 569 Ca 0.42 -0.42 0.01 0.00 0.12 0.00 0.00 56.93 57.07 2dwi s PHE 569 Cb 0.21 -1.01 -0.01 0.00 -0.57 0.00 0.00 43.02 41.64 2dwi s PHE 569 CO 0.37 0.31 -0.05 1.03 -0.10 0.00 0.00 175.22 176.78 2dwi s ARG 570 N -2.34 0.39 0.10 0.44 1.81 -0.20 -4.39 118.95 114.76 2dwi s ARG 570 Ca 0.13 -0.28 -0.23 0.00 -1.72 0.00 0.00 55.73 53.62 2dwi s ARG 570 Cb -0.08 -0.32 -0.07 0.00 -0.45 0.00 0.00 34.95 34.03 2dwi s ARG 570 CO 0.06 0.08 0.71 -0.51 -0.68 0.00 0.00 175.30 174.96 2dwi s LEU 571 N -0.42 4.53 -0.22 2.53 1.43 -0.37 -0.76 118.68 125.41 2dwi s LEU 571 Ca -0.01 1.47 -0.19 0.00 -1.03 0.00 0.00 54.13 54.37 2dwi s LEU 571 Cb -0.03 -3.16 -0.03 0.00 0.03 0.00 0.00 46.19 43.00 2dwi s LEU 571 CO -0.00 0.17 0.57 -0.76 0.23 0.00 0.00 176.35 176.56 2dwi s LEU 572 N -0.82 4.11 0.33 1.79 1.43 -0.02 -1.98 118.68 123.53 2dwi s LEU 572 Ca 0.34 0.69 -0.01 0.00 -1.03 0.00 0.00 54.13 54.12 2dwi s LEU 572 Cb -0.21 -2.77 -0.04 0.00 0.03 0.00 0.00 46.19 43.20 2dwi s LEU 572 CO 0.23 -0.26 0.55 0.00 0.23 0.00 0.00 176.35 177.11 2dwi h LEU 574 N 1.00 0.00 -1.29 0.00 3.38 -1.88 -2.79 115.31 113.74 2dwi h LEU 574 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.48 2dwi h LEU 574 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 2dwi h LEU 574 CO 0.63 0.00 0.00 -0.90 0.09 0.00 0.00 178.44 178.26 2dwi n ASP 575 N -2.73 1.84 0.00 -0.43 5.75 -1.26 -4.89 116.55 114.82 2dwi n ASP 575 Ca 0.02 -2.13 0.00 0.00 -0.01 0.00 0.00 54.79 52.67 2dwi n ASP 575 Cb 0.33 -0.33 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 2dwi n ASP 575 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2dwi n GLY 576 N 0.61 1.43 3.91 6.12 0.00 -1.05 -5.04 105.19 111.16 2dwi n GLY 576 Ca 0.09 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.83 2dwi n GLY 576 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2dwi s THR 577 N -2.58 2.80 -0.01 2.61 -4.23 -1.26 -4.65 115.64 108.32 2dwi s THR 577 Ca 0.00 0.07 0.07 0.00 -1.18 0.00 0.00 61.69 60.65 2dwi s THR 577 Cb 0.00 -3.22 -0.02 0.00 1.34 0.00 0.00 72.50 70.60 2dwi s THR 577 CO 0.00 -0.27 -0.23 -0.13 -0.54 0.00 0.00 174.62 173.45 2dwi s ARG 578 N -5.32 1.82 0.06 3.99 0.52 -1.26 -2.30 118.95 116.45 2dwi s ARG 578 Ca 0.59 -0.85 0.01 0.00 -0.52 0.00 0.00 55.73 54.96 2dwi s ARG 578 Cb -0.11 -1.78 -0.03 0.00 0.52 0.00 0.00 34.95 33.55 2dwi s ARG 578 CO 0.48 0.49 -0.05 0.15 0.02 0.00 0.00 175.30 176.38 2dwi s LYS 579 N -0.63 0.59 0.73 3.54 1.02 -0.84 -4.96 119.74 119.20 2dwi s LYS 579 Ca 0.09 -1.01 -0.16 0.00 0.02 0.00 0.00 55.97 54.91 2dwi s LYS 579 Cb -0.09 -0.06 0.04 0.00 -0.52 0.00 0.00 37.83 37.20 2dwi s LYS 579 CO -0.00 -0.03 1.25 -2.30 -0.92 0.00 0.00 175.35 173.34 2dwi n PRO 580 N 0.71 0.63 0.07 -1.68 -0.02 -1.26 -1.24 135.00 132.21 2dwi n PRO 580 Ca -0.18 0.28 0.06 0.00 -2.02 0.00 0.00 63.50 61.65 2dwi n PRO 580 Cb 0.58 -2.48 0.31 0.00 -0.02 0.00 0.00 33.50 31.88 2dwi n PRO 580 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 2dwi n VAL 581 N -2.64 1.34 0.61 -1.45 0.24 -1.26 -0.61 118.33 114.57 2dwi n VAL 581 Ca 0.15 0.48 0.10 0.00 -2.04 0.00 0.00 64.34 63.03 2dwi n VAL 581 Cb 0.49 -1.42 0.43 0.00 -1.47 0.00 0.00 33.84 31.88 2dwi n VAL 581 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2dwi n THR 582 N -1.84 0.68 -1.22 3.34 -2.24 -1.26 -3.77 114.28 107.97 2dwi n THR 582 Ca 0.01 0.12 -0.06 0.00 -2.27 0.00 0.00 64.05 61.85 2dwi n THR 582 Cb 0.08 -0.87 0.23 0.00 -2.10 0.00 0.00 70.33 67.68 2dwi n THR 582 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2dwi n GLU 583 N -1.76 2.60 0.01 -0.78 4.71 0.22 -4.68 120.64 120.97 2dwi n GLU 583 Ca 0.04 -3.06 0.07 0.00 -0.01 0.00 0.00 57.16 54.20 2dwi n GLU 583 Cb 0.25 -1.99 0.48 0.00 -1.01 0.00 0.00 31.44 29.18 2dwi n GLU 583 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2dwi h ALA 584 N 1.57 1.86 0.00 0.62 0.00 -1.76 -1.72 119.26 119.82 2dwi h ALA 584 Ca 0.27 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 2dwi h ALA 584 Cb 2.02 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.69 2dwi h ALA 584 CO 0.58 0.09 -0.01 0.37 0.00 0.00 0.00 179.25 180.28 2dwi h GLN 585 N 0.42 0.00 -0.07 0.00 4.15 -1.93 -2.61 115.11 115.07 2dwi h GLN 585 Ca 0.17 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.59 2dwi h GLN 585 Cb 0.14 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.83 2dwi h GLN 585 CO -0.04 0.01 0.00 -1.13 -1.93 0.00 0.00 178.83 175.74 2dwi n SER 586 N -3.57 1.86 -3.04 -0.69 3.41 -0.69 -4.81 113.62 106.09 2dwi n SER 586 Ca -0.03 -1.55 -0.17 0.00 -0.26 0.00 0.00 58.87 56.86 2dwi n SER 586 Cb 0.10 -0.05 -0.01 0.00 -0.26 0.00 0.00 64.21 63.99 2dwi n SER 586 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2dwi s HIS 588 N -0.93 2.02 -0.10 0.00 -3.43 -1.22 -4.70 115.29 106.94 2dwi s HIS 588 Ca 0.34 -0.83 0.16 0.00 -0.80 0.00 0.00 55.06 53.93 2dwi s HIS 588 Cb 0.25 -1.28 -0.16 0.00 -1.43 0.00 0.00 32.58 29.96 2dwi s HIS 588 CO -0.12 0.16 0.80 -0.07 -2.00 0.00 0.00 174.74 173.51 2dwi h LEU 589 N 2.14 0.00 -7.04 5.38 3.38 -0.92 -3.43 115.31 114.81 2dwi h LEU 589 Ca -0.41 0.00 0.35 0.00 0.09 0.00 0.00 57.88 57.91 2dwi h LEU 589 Cb 1.24 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.83 2dwi h LEU 589 CO 0.70 0.69 0.94 0.00 0.09 0.00 0.00 178.44 180.86 2dwi s ALA 590 N -2.84 -2.34 -0.15 1.53 0.00 -1.24 -5.01 121.76 111.71 2dwi s ALA 590 Ca -0.03 1.25 -0.08 0.00 0.00 0.00 0.00 51.96 53.10 2dwi s ALA 590 Cb 0.08 0.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.20 2dwi s ALA 590 CO 0.81 -0.87 0.11 0.54 0.00 0.00 0.00 175.76 176.36 2dwi s VAL 591 N -2.13 5.28 -0.02 0.00 0.11 -1.26 -1.29 120.40 121.09 2dwi s VAL 591 Ca 0.13 0.13 -0.00 0.00 -2.93 0.00 0.00 61.98 59.31 2dwi s VAL 591 Cb 0.04 -3.35 -0.04 0.00 -1.53 0.00 0.00 36.38 31.51 2dwi s VAL 591 CO -0.05 0.53 0.06 0.00 -3.33 0.00 0.00 175.10 172.31 2dwi s ALA 592 N -0.34 3.49 0.45 1.54 0.00 0.15 -4.90 121.76 122.15 2dwi s ALA 592 Ca 0.11 -0.87 -0.23 0.00 0.00 0.00 0.00 51.96 50.96 2dwi s ALA 592 Cb -0.12 -1.53 -0.08 0.00 0.00 0.00 0.00 23.12 21.40 2dwi s ALA 592 CO 0.01 0.67 1.18 -1.25 0.00 0.00 0.00 175.76 176.37 2dwi s PRO 593 N -1.58 3.81 0.73 0.00 0.04 -1.26 -1.12 135.00 135.62 2dwi s PRO 593 Ca 0.21 1.82 -0.15 0.00 0.04 0.00 0.00 61.00 62.92 2dwi s PRO 593 Cb -0.12 -2.48 0.04 0.00 0.04 0.00 0.00 34.50 31.99 2dwi s PRO 593 CO 0.11 -0.52 1.23 -0.80 0.04 0.00 0.00 177.00 177.06 2dwi s ASN 594 N -1.27 4.11 0.54 6.66 0.01 -1.26 -4.49 114.94 119.25 2dwi s ASN 594 Ca 0.62 2.42 -0.21 0.00 -0.71 0.00 0.00 52.86 54.98 2dwi s ASN 594 Cb -0.30 -2.60 -0.06 0.00 0.41 0.00 0.00 41.25 38.71 2dwi s ASN 594 CO 0.37 -2.32 1.20 1.41 -1.51 0.00 0.00 177.10 176.25 2dwi n HIS 595 N -2.70 1.74 -3.84 2.20 8.25 -1.26 -4.59 115.22 115.02 2dwi n HIS 595 Ca 0.14 0.45 -0.12 0.00 -0.26 0.00 0.00 57.72 57.93 2dwi n HIS 595 Cb 0.50 -2.28 -0.11 0.00 1.12 0.00 0.00 29.99 29.21 2dwi n HIS 595 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2dwi s ALA 596 N -1.34 -0.37 0.14 -1.41 0.00 -0.58 -1.23 121.76 116.96 2dwi s ALA 596 Ca 0.71 0.18 -0.31 0.00 0.00 0.00 0.00 51.96 52.54 2dwi s ALA 596 Cb -0.44 -0.09 -0.09 0.00 0.00 0.00 0.00 23.12 22.50 2dwi s ALA 596 CO 0.50 -0.14 1.48 0.08 0.00 0.00 0.00 175.76 177.67 2dwi s VAL 597 N -0.63 2.97 0.22 0.00 1.01 0.57 -0.48 120.40 124.06 2dwi s VAL 597 Ca -0.07 0.70 0.11 0.00 0.00 0.00 0.00 61.98 62.71 2dwi s VAL 597 Cb -0.04 -3.45 -0.05 0.00 0.00 0.00 0.00 36.38 32.85 2dwi s VAL 597 CO 0.01 0.05 -0.21 0.68 0.00 0.00 0.00 175.10 175.63 2dwi s VAL 598 N 1.14 2.26 0.30 2.92 -7.23 -0.36 -0.28 120.40 119.15 2dwi s VAL 598 Ca 0.67 -2.15 -0.12 0.00 -1.81 0.00 0.00 61.98 58.57 2dwi s VAL 598 Cb -0.40 -2.13 0.01 0.00 0.56 0.00 0.00 36.38 34.42 2dwi s VAL 598 CO 0.31 -0.28 0.58 -0.94 -0.31 0.00 0.00 175.10 174.46 2dwi s SER 599 N -2.99 0.14 0.35 4.85 1.04 -0.82 -2.97 113.70 113.30 2dwi s SER 599 Ca 0.23 -1.06 -0.29 0.00 0.48 0.00 0.00 55.95 55.31 2dwi s SER 599 Cb -0.06 0.68 -0.11 0.00 0.10 0.00 0.00 66.02 66.63 2dwi s SER 599 CO 0.11 -1.33 1.45 -0.13 0.98 0.00 0.00 173.24 174.32 2dwi s ARG 600 N -3.41 4.18 0.27 4.02 0.52 -1.26 -1.05 118.95 122.24 2dwi s ARG 600 Ca 0.21 2.46 0.00 0.00 -0.52 0.00 0.00 55.73 57.89 2dwi s ARG 600 Cb -0.02 -3.01 0.62 0.00 0.52 0.00 0.00 34.95 33.06 2dwi s ARG 600 CO 0.12 -0.45 1.69 1.03 0.02 0.00 0.00 175.30 177.71 2dwi h SER 601 N 3.42 0.20 0.28 0.23 0.87 -1.92 0.11 113.55 116.74 2dwi h SER 601 Ca -0.50 0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.22 2dwi h SER 601 Cb 1.23 0.16 0.00 0.00 -0.44 0.00 0.00 62.40 63.35 2dwi h SER 601 CO 0.67 -0.02 0.00 -0.90 -0.53 0.00 0.00 176.83 176.05 2dwi n ASP 602 N -5.09 0.00 -0.17 6.23 5.75 -1.26 -2.77 116.55 119.24 2dwi n ASP 602 Ca 0.19 0.07 0.03 0.00 -0.01 0.00 0.00 54.79 55.07 2dwi n ASP 602 Cb 0.57 -0.29 0.01 0.00 -1.03 0.00 0.00 41.12 40.39 2dwi n ASP 602 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2dwi n ARG 603 N -1.29 1.58 -0.21 0.11 5.12 0.35 -4.81 116.66 117.52 2dwi n ARG 603 Ca 0.07 -0.60 -0.03 0.00 -1.93 0.00 0.00 57.85 55.37 2dwi n ARG 603 Cb 0.12 -1.01 0.08 0.00 -1.16 0.00 0.00 32.46 30.49 2dwi n ARG 603 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2dwi h ALA 604 N 1.11 0.82 -0.18 7.54 0.00 -1.29 -1.18 119.26 126.08 2dwi h ALA 604 Ca 0.00 0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.76 2dwi h ALA 604 Cb 0.22 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2dwi h ALA 604 CO 0.00 0.04 -0.56 0.00 0.00 0.00 0.00 179.25 178.73 2dwi h ALA 605 N 1.31 0.69 -0.13 0.00 0.00 -1.87 -1.33 119.26 117.92 2dwi h ALA 605 Ca 0.27 -0.52 -0.21 0.00 0.00 0.00 0.00 54.91 54.46 2dwi h ALA 605 Cb 0.13 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2dwi h ALA 605 CO -0.16 0.69 -0.75 1.25 0.00 0.00 0.00 179.25 180.28 2dwi h HIS 606 N 0.42 0.88 -0.44 0.00 6.17 -1.83 -2.07 115.15 118.28 2dwi h HIS 606 Ca 0.01 -0.38 -0.03 0.00 0.71 0.00 0.00 60.37 60.67 2dwi h HIS 606 Cb 1.11 -0.14 -0.02 0.00 2.52 0.00 0.00 27.41 30.88 2dwi h HIS 606 CO 0.05 1.19 0.16 0.28 0.71 0.00 0.00 177.93 180.31 2dwi h VAL 607 N 0.45 1.21 0.01 5.26 2.07 -1.07 -2.66 116.25 121.52 2dwi h VAL 607 Ca -0.04 -0.68 0.01 0.00 0.82 0.00 0.00 66.70 66.81 2dwi h VAL 607 Cb 1.36 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.94 2dwi h VAL 607 CO 0.15 0.25 -0.08 -0.08 0.02 0.00 0.00 177.57 177.82 2dwi h GLU 608 N 0.57 -0.14 -0.35 1.57 4.81 -1.20 -1.64 114.58 118.21 2dwi h GLU 608 Ca 0.14 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.43 2dwi h GLU 608 Cb 0.23 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.60 2dwi h GLU 608 CO -0.01 -0.09 0.10 0.37 -0.73 0.00 0.00 179.01 178.65 2dwi h GLN 609 N -0.14 0.23 -0.47 1.92 4.15 -1.37 -1.77 115.11 117.66 2dwi h GLN 609 Ca 0.03 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.42 2dwi h GLN 609 Cb 0.18 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.79 2dwi h GLN 609 CO -0.07 0.15 0.23 0.28 -1.93 0.00 0.00 178.83 177.48 2dwi h VAL 610 N 0.23 1.19 -0.49 2.39 2.07 -1.34 -2.99 116.25 117.31 2dwi h VAL 610 Ca 0.16 -0.52 -0.10 0.00 0.82 0.00 0.00 66.70 67.06 2dwi h VAL 610 Cb 0.15 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 2dwi h VAL 610 CO -0.18 0.20 -0.09 -0.07 0.02 0.00 0.00 177.57 177.45 2dwi h LEU 611 N 0.61 0.92 -0.90 2.57 4.07 -1.00 -0.36 115.31 121.23 2dwi h LEU 611 Ca 0.16 -0.35 0.12 0.00 0.08 0.00 0.00 57.88 57.89 2dwi h LEU 611 Cb 0.12 -0.25 -0.08 0.00 1.08 0.00 0.00 40.66 41.52 2dwi h LEU 611 CO -0.02 1.06 0.52 -0.07 -1.08 0.00 0.00 178.44 178.85 2dwi h LEU 612 N 0.78 0.73 -0.24 1.67 3.38 -1.32 -0.97 115.31 119.33 2dwi h LEU 612 Ca 0.13 0.06 -0.21 0.00 0.09 0.00 0.00 57.88 57.95 2dwi h LEU 612 Cb 0.64 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 41.31 2dwi h LEU 612 CO 0.04 0.38 -0.69 -0.74 0.09 0.00 0.00 178.44 177.52 2dwi h HIS 613 N 0.82 1.02 -0.28 1.13 2.76 -1.33 -2.92 115.15 116.35 2dwi h HIS 613 Ca 0.45 -0.42 -0.02 0.00 -2.20 0.00 0.00 60.37 58.18 2dwi h HIS 613 Cb 0.50 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 29.27 2dwi h HIS 613 CO -0.05 1.24 0.07 1.96 -1.30 0.00 0.00 177.93 179.86 2dwi h GLN 614 N 0.55 0.39 0.00 5.26 1.08 -0.77 -2.90 115.11 118.73 2dwi h GLN 614 Ca -0.03 -0.05 -0.19 0.00 -1.45 0.00 0.00 58.65 56.93 2dwi h GLN 614 Cb 1.31 -0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 28.64 2dwi h GLN 614 CO 0.14 0.36 -0.89 -0.56 -0.95 0.00 0.00 178.83 176.93 2dwi h GLN 615 N 0.39 0.00 -0.20 1.46 3.07 -1.17 -0.30 115.11 118.36 2dwi h GLN 615 Ca 0.10 0.00 0.03 0.00 0.09 0.00 0.00 58.65 58.87 2dwi h GLN 615 Cb 0.15 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.70 2dwi h GLN 615 CO -0.00 0.89 0.14 0.00 0.09 0.00 0.00 178.83 179.95 2dwi h ALA 616 N 1.11 2.03 0.11 0.06 0.00 -1.32 0.20 119.26 121.44 2dwi h ALA 616 Ca -0.01 -0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.59 2dwi h ALA 616 Cb 1.65 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.40 2dwi h ALA 616 CO 0.12 -0.06 -1.57 -0.07 0.00 0.00 0.00 179.25 177.66 2dwi h LEU 617 N 0.13 0.36 -0.89 0.00 4.07 -1.43 -1.11 115.31 116.43 2dwi h LEU 617 Ca 0.09 -0.84 0.00 0.00 0.08 0.00 0.00 57.88 57.20 2dwi h LEU 617 Cb 0.18 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 41.81 2dwi h LEU 617 CO -0.01 1.68 0.00 0.49 -1.08 0.00 0.00 178.44 179.52 2dwi n PHE 618 N -3.85 0.00 -0.53 1.13 3.72 -0.13 -0.10 117.46 117.70 2dwi n PHE 618 Ca -0.28 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.12 2dwi n PHE 618 Cb 0.92 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.46 2dwi n PHE 618 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2dwi n GLY 619 N 0.09 -1.81 0.29 1.37 0.00 0.70 -1.41 105.19 104.43 2dwi n GLY 619 Ca 0.00 -1.53 0.05 0.00 0.00 0.00 0.00 46.02 44.54 2dwi n GLY 619 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2dwi h LYS 620 N 0.00 0.62 -0.33 1.61 3.64 -1.81 -2.05 116.57 118.24 2dwi h LYS 620 Ca 0.00 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 59.21 2dwi h LYS 620 Cb 0.00 -0.14 -0.08 0.00 -0.41 0.00 0.00 32.23 31.60 2dwi h LYS 620 CO 0.00 0.41 -0.03 0.09 -2.27 0.00 0.00 179.45 177.65 2dwi n ASN 621 N -4.85 2.93 -4.78 4.20 5.03 -1.26 -4.92 115.26 111.61 2dwi n ASN 621 Ca 0.15 -3.52 -0.33 0.00 0.87 0.00 0.00 54.58 51.74 2dwi n ASN 621 Cb 0.36 -0.61 0.03 0.00 -1.02 0.00 0.00 39.78 38.54 2dwi n ASN 621 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 2dwi s GLY 622 N -2.33 2.21 0.37 7.41 0.00 -0.77 -4.90 107.32 109.31 2dwi s GLY 622 Ca 0.44 0.55 0.17 0.00 0.00 0.00 0.00 44.72 45.88 2dwi s GLY 622 CO 0.03 0.89 1.69 0.50 0.00 0.00 0.00 173.10 176.21 2dwi h LYS 623 N 0.27 0.33 -0.08 2.90 6.56 -1.09 -2.94 116.57 122.50 2dwi h LYS 623 Ca -0.47 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.10 2dwi h LYS 623 Cb 1.24 -0.07 0.00 0.00 -0.57 0.00 0.00 32.23 32.83 2dwi h LYS 623 CO 0.55 0.22 0.00 0.09 -2.06 0.00 0.00 179.45 178.25 2dwi n ASN 624 N -4.88 2.18 0.07 0.86 3.02 0.86 -4.90 115.26 112.46 2dwi n ASN 624 Ca 0.31 -1.94 -0.04 0.00 -0.03 0.00 0.00 54.58 52.87 2dwi n ASN 624 Cb 1.00 -0.06 -0.02 0.00 -0.61 0.00 0.00 39.78 40.10 2dwi n ASN 624 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2dwi h PRO 626 N -0.93 1.04 0.01 0.00 0.11 -1.83 -3.22 132.00 127.18 2dwi h PRO 626 Ca -0.03 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.02 2dwi h PRO 626 Cb 0.20 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 31.07 2dwi h PRO 626 CO 0.04 0.69 -0.00 -0.44 -0.21 0.00 0.00 178.00 178.08 2dwi h ASP 627 N 1.08 -0.01 0.00 -2.05 3.32 -1.89 -3.42 116.42 113.44 2dwi h ASP 627 Ca 0.34 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.32 2dwi h ASP 627 Cb 0.03 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 2dwi h ASP 627 CO -0.10 -0.00 -0.71 0.11 -1.72 0.00 0.00 179.24 176.82 2dwi h LYS 628 N -0.03 0.00 -2.16 3.56 1.57 -1.00 -3.50 116.57 115.01 2dwi h LYS 628 Ca -0.00 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 2dwi h LYS 628 Cb 0.01 0.00 -0.22 0.00 0.08 0.00 0.00 32.23 32.10 2dwi h LYS 628 CO 0.00 0.38 0.01 0.12 -0.57 0.00 0.00 179.45 179.39 2dwi s PHE 629 N -2.23 -0.80 -0.23 -1.35 5.36 -0.44 -5.02 117.98 113.27 2dwi s PHE 629 Ca -0.19 1.81 -0.01 0.00 -0.96 0.00 0.00 56.93 57.58 2dwi s PHE 629 Cb 0.03 0.36 0.02 0.00 -0.34 0.00 0.00 43.02 43.09 2dwi s PHE 629 CO 0.35 -0.40 -0.09 0.00 -1.46 0.00 0.00 175.22 173.62 2dwi h LEU 631 N 8.01 0.99 -3.47 0.00 3.38 -1.57 -3.07 115.31 119.59 2dwi h LEU 631 Ca -0.37 0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.48 2dwi h LEU 631 Cb 1.12 -0.20 -0.08 0.00 0.09 0.00 0.00 40.66 41.59 2dwi h LEU 631 CO 0.59 0.64 0.17 0.49 0.09 0.00 0.00 178.44 180.42 2dwi n PHE 632 N -4.53 2.15 -4.45 1.13 3.72 -1.26 -4.75 117.46 109.48 2dwi n PHE 632 Ca 0.14 -0.96 -0.27 0.00 -0.05 0.00 0.00 57.45 56.31 2dwi n PHE 632 Cb 0.16 -0.59 -0.13 0.00 -0.94 0.00 0.00 39.48 37.98 2dwi n PHE 632 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 2dwi s LYS 633 N -2.71 1.36 -0.17 -1.08 -0.14 -1.16 -4.36 119.74 111.47 2dwi s LYS 633 Ca 0.50 -1.22 0.01 0.00 -1.36 0.00 0.00 55.97 53.90 2dwi s LYS 633 Cb 0.40 -1.71 0.03 0.00 -1.68 0.00 0.00 37.83 34.87 2dwi s LYS 633 CO 0.13 0.41 0.82 -1.13 -0.76 0.00 0.00 175.35 174.82 2dwi n SER 634 N 1.17 -0.61 -4.00 2.83 3.41 -1.26 -4.93 113.62 110.23 2dwi n SER 634 Ca -0.18 -1.35 -0.41 0.00 -0.26 0.00 0.00 58.87 56.66 2dwi n SER 634 Cb 0.53 0.54 0.02 0.00 -0.26 0.00 0.00 64.21 65.04 2dwi n SER 634 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 2dwi n GLU 635 N -0.33 -0.55 -1.15 4.33 0.28 -1.26 -2.23 120.64 119.73 2dwi n GLU 635 Ca -0.16 0.24 -0.05 0.00 -0.16 0.00 0.00 57.16 57.03 2dwi n GLU 635 Cb 0.58 -2.55 -0.02 0.00 1.43 0.00 0.00 31.44 30.88 2dwi n GLU 635 CO 0.00 0.00 0.00 -2.37 -0.16 0.00 0.00 177.13 174.60 2dwi n THR 636 N -4.50 0.00 1.00 3.84 5.66 -1.26 -4.83 114.28 114.19 2dwi n THR 636 Ca -0.15 0.00 0.11 0.00 -3.05 0.00 0.00 64.05 60.95 2dwi n THR 636 Cb 0.59 -0.93 -0.06 0.00 -1.55 0.00 0.00 70.33 68.39 2dwi n THR 636 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2dwi n LYS 637 N -1.38 0.64 -3.78 1.09 5.02 -0.95 -4.82 118.16 113.98 2dwi n LYS 637 Ca -0.05 -0.53 -0.25 0.00 -2.02 0.00 0.00 58.31 55.46 2dwi n LYS 637 Cb 0.35 -1.49 0.01 0.00 -0.02 0.00 0.00 35.03 33.89 2dwi n LYS 637 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2dwi n ASN 638 N -0.72 -1.71 -4.70 4.39 5.03 -1.26 -4.93 115.26 111.36 2dwi n ASN 638 Ca 0.07 -0.93 -0.38 0.00 0.87 0.00 0.00 54.58 54.21 2dwi n ASN 638 Cb 0.40 -3.57 -0.07 0.00 -1.02 0.00 0.00 39.78 35.53 2dwi n ASN 638 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2dwi s LEU 639 N -6.72 4.22 0.00 3.41 1.43 -1.26 -4.40 118.68 115.37 2dwi s LEU 639 Ca 0.10 0.69 0.00 0.00 -1.03 0.00 0.00 54.13 53.89 2dwi s LEU 639 Cb -0.03 -2.62 0.00 0.00 0.03 0.00 0.00 46.19 43.57 2dwi s LEU 639 CO 0.85 -0.04 0.00 0.18 0.23 0.00 0.00 176.35 177.57 2dwi n LEU 640 N 4.04 0.00 -4.14 1.79 4.77 -1.26 -4.77 117.00 117.43 2dwi n LEU 640 Ca -0.07 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.79 2dwi n LEU 640 Cb 0.51 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.50 2dwi n LEU 640 CO 0.42 0.00 -0.39 -0.36 -1.33 0.00 0.00 177.39 175.72 2dwi s PHE 641 N 0.00 0.85 0.37 -1.77 0.08 -1.26 -4.45 117.98 111.80 2dwi s PHE 641 Ca 0.00 -0.76 -0.28 0.00 0.12 0.00 0.00 56.93 56.01 2dwi s PHE 641 Cb 0.00 -0.49 -0.10 0.00 -0.57 0.00 0.00 43.02 41.86 2dwi s PHE 641 CO 0.00 -0.11 1.40 -0.80 -0.10 0.00 0.00 175.22 175.61 2dwi s ASN 642 N -2.54 6.47 0.46 1.36 0.01 -1.26 -4.49 114.94 114.95 2dwi s ASN 642 Ca 0.05 2.87 0.23 0.00 -0.71 0.00 0.00 52.86 55.30 2dwi s ASN 642 Cb -0.00 -2.66 1.10 0.00 0.41 0.00 0.00 41.25 40.10 2dwi s ASN 642 CO -0.03 -0.77 1.93 0.44 -1.51 0.00 0.00 177.10 177.17 2dwi h ASP 643 N 3.06 0.00 -0.07 -1.22 3.32 -1.91 -2.56 116.42 117.04 2dwi h ASP 643 Ca -0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.55 2dwi h ASP 643 Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.79 2dwi h ASP 643 CO 0.64 0.22 0.00 -0.46 -1.72 0.00 0.00 179.24 177.92 2dwi n ASN 644 N -3.66 0.40 -4.68 6.45 6.94 -1.26 -4.79 115.26 114.67 2dwi n ASN 644 Ca -0.01 -1.98 -0.42 0.00 -0.02 0.00 0.00 54.58 52.15 2dwi n ASN 644 Cb 0.34 -0.05 -0.03 0.00 -2.36 0.00 0.00 39.78 37.69 2dwi n ASN 644 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 2dwi s THR 645 N -1.90 3.67 -0.05 5.53 2.01 -0.97 -4.37 115.64 119.57 2dwi s THR 645 Ca 0.06 0.97 -0.21 0.00 0.31 0.00 0.00 61.69 62.82 2dwi s THR 645 Cb 0.03 -3.62 -0.31 0.00 0.01 0.00 0.00 72.50 68.60 2dwi s THR 645 CO 0.04 -0.04 0.86 -0.08 -0.69 0.00 0.00 174.62 174.71 2dwi h GLU 646 N 8.46 0.31 -2.98 4.92 4.81 -1.32 -3.45 114.58 125.33 2dwi h GLU 646 Ca -0.37 -0.53 0.06 0.00 -0.13 0.00 0.00 59.36 58.38 2dwi h GLU 646 Cb 1.17 0.20 -0.06 0.00 0.63 0.00 0.00 28.75 30.68 2dwi h GLU 646 CO 0.93 1.25 0.23 0.00 -0.73 0.00 0.00 179.01 180.70 2dwi s LEU 648 N -2.89 4.32 -0.00 0.00 1.43 -1.26 -0.18 118.68 120.10 2dwi s LEU 648 Ca 0.09 0.98 0.04 0.00 -1.03 0.00 0.00 54.13 54.21 2dwi s LEU 648 Cb -0.05 -2.84 -0.03 0.00 0.03 0.00 0.00 46.19 43.30 2dwi s LEU 648 CO 0.03 -0.00 -0.10 0.00 0.23 0.00 0.00 176.35 176.51 2dwi s ALA 649 N 0.48 2.89 0.72 4.21 0.00 0.91 -4.60 121.76 126.36 2dwi s ALA 649 Ca 0.30 -1.04 -0.14 0.00 0.00 0.00 0.00 51.96 51.08 2dwi s ALA 649 Cb -0.16 -1.04 0.03 0.00 0.00 0.00 0.00 23.12 21.94 2dwi s ALA 649 CO 0.14 0.59 1.14 0.15 0.00 0.00 0.00 175.76 177.78 2dwi s LYS 650 N -1.27 2.38 -0.20 0.00 1.02 -0.04 -1.52 119.74 120.11 2dwi s LYS 650 Ca 0.15 1.49 -0.18 0.00 0.02 0.00 0.00 55.97 57.45 2dwi s LYS 650 Cb -0.11 -1.89 -0.20 0.00 -0.52 0.00 0.00 37.83 35.12 2dwi s LYS 650 CO 0.06 -1.60 0.18 1.28 -0.92 0.00 0.00 175.35 174.35 2dwi n LEU 651 N -2.80 2.03 -0.94 3.17 4.77 -1.26 -4.81 117.00 117.15 2dwi n LEU 651 Ca 0.11 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 56.46 2dwi n LEU 651 Cb 0.52 -0.98 0.00 0.00 -2.33 0.00 0.00 43.42 40.63 2dwi n LEU 651 CO 0.49 0.42 -0.13 0.61 -1.33 0.00 0.00 177.39 177.45 2dwi n GLY 652 N 1.53 -4.07 0.79 -0.72 0.00 -1.26 -4.79 105.19 96.67 2dwi n GLY 652 Ca -0.35 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.06 2dwi n GLY 652 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dwi n GLY 653 N 0.50 0.77 3.33 -0.02 0.00 -1.26 -4.60 105.19 103.91 2dwi n GLY 653 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 2dwi n GLY 653 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dwi n ARG 654 N -2.21 -0.62 -2.31 1.61 1.74 -1.26 -4.77 116.66 108.83 2dwi n ARG 654 Ca 0.00 -0.13 -0.34 0.00 -0.77 0.00 0.00 57.85 56.61 2dwi n ARG 654 Cb 0.00 -0.14 -0.01 0.00 -1.02 0.00 0.00 32.46 31.29 2dwi n ARG 654 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2dwi s PRO 655 N -4.18 3.53 1.00 5.56 0.04 -1.26 -5.05 135.00 134.63 2dwi s PRO 655 Ca 0.06 1.37 -0.14 0.00 0.04 0.00 0.00 61.00 62.33 2dwi s PRO 655 Cb -0.03 -2.05 0.19 0.00 0.04 0.00 0.00 34.50 32.65 2dwi s PRO 655 CO 0.21 -0.66 1.15 0.95 0.04 0.00 0.00 177.00 178.69 2dwi s THR 656 N -2.08 1.91 0.46 1.26 -4.23 -1.26 -4.76 115.64 106.93 2dwi s THR 656 Ca 0.67 0.00 0.14 0.00 -1.18 0.00 0.00 61.69 61.33 2dwi s THR 656 Cb -0.18 -2.69 0.20 0.00 1.34 0.00 0.00 72.50 71.17 2dwi s THR 656 CO 0.27 0.00 2.02 0.10 -0.54 0.00 0.00 174.62 176.47 2dwi h TYR 657 N -1.83 0.02 -0.16 3.99 -0.00 -1.94 0.12 116.97 117.17 2dwi h TYR 657 Ca -0.49 -0.00 -0.17 0.00 0.00 0.00 0.00 58.73 58.07 2dwi h TYR 657 Cb 1.31 -0.01 0.01 0.00 0.00 0.00 0.00 36.73 38.04 2dwi h TYR 657 CO -0.48 0.16 -0.57 0.93 -0.00 0.00 0.00 178.16 178.20 2dwi h GLU 658 N 0.02 0.66 -0.60 0.10 5.08 -1.95 -0.65 114.58 117.25 2dwi h GLU 658 Ca 0.00 -0.51 -0.10 0.00 -1.00 0.00 0.00 59.36 57.76 2dwi h GLU 658 Cb 0.26 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 2dwi h GLU 658 CO 0.02 1.13 -0.01 0.93 -1.00 0.00 0.00 179.01 180.07 2dwi h GLU 659 N 0.34 1.06 -0.37 2.33 5.08 -1.87 0.45 114.58 121.60 2dwi h GLU 659 Ca -0.03 -0.34 -0.01 0.00 -1.00 0.00 0.00 59.36 57.98 2dwi h GLU 659 Cb 1.20 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.34 2dwi h GLU 659 CO 0.12 1.04 0.19 -0.92 -1.00 0.00 0.00 179.01 178.44 2dwi h TYR 660 N 0.96 0.53 -0.02 4.33 3.20 -0.70 -3.06 116.97 122.20 2dwi h TYR 660 Ca 0.17 -0.02 -0.17 0.00 3.14 0.00 0.00 58.73 61.85 2dwi h TYR 660 Cb 0.57 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.66 2dwi h TYR 660 CO 0.04 0.43 -0.75 -0.07 -1.64 0.00 0.00 178.16 176.17 2dwi h LEU 661 N 0.47 0.22 0.00 2.82 3.38 -1.08 -3.48 115.31 117.64 2dwi h LEU 661 Ca 0.13 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2dwi h LEU 661 Cb 0.09 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2dwi h LEU 661 CO -0.02 0.89 0.00 0.61 0.09 0.00 0.00 178.44 180.01 2dwi n GLY 662 N 0.60 0.04 0.33 0.83 0.00 0.14 -4.42 105.19 102.72 2dwi n GLY 662 Ca -0.03 -1.52 0.01 0.00 0.00 0.00 0.00 46.02 44.48 2dwi n GLY 662 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2dwi h THR 663 N 0.00 1.18 0.12 2.61 2.02 -1.89 -2.19 112.91 114.75 2dwi h THR 663 Ca 0.00 -0.40 0.02 0.00 0.77 0.00 0.00 66.41 66.81 2dwi h THR 663 Cb 0.00 0.29 -0.04 0.00 -1.74 0.00 0.00 68.15 66.65 2dwi h THR 663 CO 0.00 0.19 -0.34 -0.33 0.37 0.00 0.00 175.52 175.40 2dwi h GLU 664 N 0.87 -0.55 -0.36 6.66 4.39 -1.96 -2.84 114.58 120.80 2dwi h GLU 664 Ca 0.23 0.04 -0.06 0.00 0.34 0.00 0.00 59.36 59.90 2dwi h GLU 664 Cb -0.03 0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 2dwi h GLU 664 CO -0.04 -0.37 -0.02 -0.92 -1.16 0.00 0.00 179.01 176.50 2dwi h TYR 665 N -0.57 0.71 0.00 4.33 3.20 -1.68 -2.91 116.97 120.05 2dwi h TYR 665 Ca 0.03 -0.13 -0.03 0.00 3.14 0.00 0.00 58.73 61.74 2dwi h TYR 665 Cb 0.60 -0.18 -0.00 0.00 1.54 0.00 0.00 36.73 38.68 2dwi h TYR 665 CO -0.31 0.76 -0.15 -0.39 -1.64 0.00 0.00 178.16 176.43 2dwi h VAL 666 N 0.46 0.44 0.02 1.81 -1.51 -1.44 -2.17 116.25 113.84 2dwi h VAL 666 Ca 0.10 -0.84 -0.24 0.00 -1.23 0.00 0.00 66.70 64.50 2dwi h VAL 666 Cb 0.49 1.59 -0.03 0.00 -2.13 0.00 0.00 31.29 31.22 2dwi h VAL 666 CO 0.02 0.15 -1.20 0.71 -1.23 0.00 0.00 177.57 176.02 2dwi h THR 667 N 0.00 1.49 0.08 7.19 1.35 -1.42 -2.55 112.91 119.05 2dwi h THR 667 Ca -0.00 -3.21 0.01 0.00 -0.55 0.00 0.00 66.41 62.65 2dwi h THR 667 Cb 0.58 2.76 -0.01 0.00 -1.73 0.00 0.00 68.15 69.75 2dwi h THR 667 CO 0.02 0.86 -0.10 0.00 -0.25 0.00 0.00 175.52 176.06 2dwi h ALA 668 N 0.94 -0.18 -0.57 6.62 0.00 -1.28 -1.91 119.26 122.88 2dwi h ALA 668 Ca -0.09 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.84 2dwi h ALA 668 Cb 1.85 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 19.74 2dwi h ALA 668 CO 0.13 -0.61 0.31 0.82 0.00 0.00 0.00 179.25 179.89 2dwi h ILE 669 N -0.21 0.99 -0.58 0.00 2.04 -1.43 -2.04 117.51 116.29 2dwi h ILE 669 Ca 0.01 -0.21 -0.04 0.00 1.00 0.00 0.00 64.86 65.62 2dwi h ILE 669 Cb 0.21 0.34 -0.03 0.00 -0.74 0.00 0.00 36.82 36.60 2dwi h ILE 669 CO -0.04 0.11 0.21 0.00 0.00 0.00 0.00 178.15 178.44 2dwi h ALA 670 N 1.29 0.75 -0.48 1.87 0.00 -1.40 0.31 119.26 121.59 2dwi h ALA 670 Ca 0.25 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 2dwi h ALA 670 Cb 0.12 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2dwi h ALA 670 CO -0.15 0.38 0.08 -0.91 0.00 0.00 0.00 179.25 178.65 2dwi h ASN 671 N 0.80 0.69 0.04 0.00 2.35 -1.20 -2.08 115.58 116.19 2dwi h ASN 671 Ca 0.19 -0.13 -0.22 0.00 -0.55 0.00 0.00 56.30 55.59 2dwi h ASN 671 Cb 0.23 -0.18 0.01 0.00 0.05 0.00 0.00 38.32 38.42 2dwi h ASN 671 CO -0.01 0.71 -0.83 0.25 -1.65 0.00 0.00 177.43 175.91 2dwi h LEU 672 N 0.71 0.77 -2.15 1.61 5.85 -1.07 -3.21 115.31 117.81 2dwi h LEU 672 Ca 0.15 -0.53 -0.01 0.00 0.84 0.00 0.00 57.88 58.33 2dwi h LEU 672 Cb 0.32 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.12 2dwi h LEU 672 CO 0.00 1.32 -0.07 0.11 -0.34 0.00 0.00 178.44 179.46 2dwi h LYS 673 N 0.41 0.00 0.00 1.25 1.79 -0.10 -1.20 116.57 118.72 2dwi h LYS 673 Ca -0.06 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.41 2dwi h LYS 673 Cb 1.44 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 32.09 2dwi h LYS 673 CO 0.16 0.07 -0.01 0.87 -1.08 0.00 0.00 179.45 179.46 2dwi h LYS 674 N 0.00 0.00 0.04 3.15 1.57 -1.38 -2.87 116.57 117.08 2dwi h LYS 674 Ca -0.00 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.56 2dwi h LYS 674 Cb 0.19 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.52 2dwi h LYS 674 CO 0.01 0.01 -0.89 0.00 -0.57 0.00 0.00 179.45 178.00 2dwi h SER 676 N 0.09 0.62 0.00 0.00 0.02 -1.63 -3.50 113.55 109.14 2dwi h SER 676 Ca -0.12 -0.79 0.00 0.00 -0.84 0.00 0.00 61.79 60.04 2dwi h SER 676 Cb 1.59 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.93 2dwi h SER 676 CO 0.17 1.65 0.00 -0.11 -1.14 0.00 0.00 176.83 177.40 2dwi n LEU 681 N -3.59 0.00 -4.44 5.07 7.94 -1.26 -5.16 117.00 115.57 2dwi n LEU 681 Ca -0.19 0.00 -0.41 0.00 -1.11 0.00 0.00 56.01 54.30 2dwi n LEU 681 Cb 1.07 0.00 -0.11 0.00 0.53 0.00 0.00 43.42 44.92 2dwi n LEU 681 CO 0.54 0.00 -0.13 -0.70 -1.11 0.00 0.00 177.39 176.00 2dwi s GLU 682 N 0.00 3.05 0.00 1.96 2.12 -1.26 -5.02 118.70 119.54 2dwi s GLU 682 Ca 0.00 -0.95 0.00 0.00 0.36 0.00 0.00 54.97 54.38 2dwi s GLU 682 Cb 0.00 -3.81 0.00 0.00 0.26 0.00 0.00 34.13 30.58 2dwi s GLU 682 CO 0.00 -0.64 0.00 0.00 -0.54 0.00 0.00 175.26 174.08 2dwi n ALA 683 N 5.07 0.00 -2.06 6.30 0.00 -1.26 -5.14 120.51 123.42 2dwi n ALA 683 Ca -0.12 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.90 2dwi n ALA 683 Cb 0.47 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.89 2dwi n ALA 683 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dwi n ALA 685 N 3.52 1.82 0.03 0.00 0.00 -1.26 -5.04 120.51 119.58 2dwi n ALA 685 Ca 0.10 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2dwi n ALA 685 Cb 0.41 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.65 2dwi n ALA 685 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69