#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sdx n THR 343 N 0.00 0.06 -2.99 -0.72 5.66 -1.26 -5.03 114.28 110.00 1sdx n THR 343 Ca 0.00 -0.53 -0.33 0.00 -3.05 0.00 0.00 64.05 60.14 1sdx n THR 343 Cb 0.00 1.01 -0.07 0.00 -1.55 0.00 0.00 70.33 69.72 1sdx n THR 343 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1sdx s ARG 344 N -0.22 4.12 -0.13 1.09 1.70 -1.26 -5.00 118.95 119.25 1sdx s ARG 344 Ca 0.03 0.88 -0.03 0.00 -0.47 0.00 0.00 55.73 56.14 1sdx s ARG 344 Cb 0.02 -2.34 -0.03 0.00 -0.57 0.00 0.00 34.95 32.03 1sdx s ARG 344 CO 0.03 0.08 -0.03 0.08 -1.08 0.00 0.00 175.30 174.39 1sdx s VAL 345 N -2.05 4.03 -0.36 4.99 1.01 -0.37 -5.00 120.40 122.64 1sdx s VAL 345 Ca 0.57 -0.33 -0.14 0.00 0.00 0.00 0.00 61.98 62.09 1sdx s VAL 345 Cb -0.10 -2.73 -0.00 0.00 0.00 0.00 0.00 36.38 33.54 1sdx s VAL 345 CO 0.16 0.54 0.27 -0.69 0.00 0.00 0.00 175.10 175.37 1sdx s VAL 346 N -0.14 5.27 0.26 2.92 1.01 -1.26 -0.86 120.40 127.60 1sdx s VAL 346 Ca 0.03 -0.36 -0.13 0.00 0.00 0.00 0.00 61.98 61.52 1sdx s VAL 346 Cb -0.13 -3.79 -0.08 0.00 0.00 0.00 0.00 36.38 32.38 1sdx s VAL 346 CO 0.02 -0.12 0.63 0.86 0.00 0.00 0.00 175.10 176.50 1sdx s TRP 347 N 1.72 3.43 -0.23 5.22 -0.11 0.11 -0.34 118.94 128.75 1sdx s TRP 347 Ca 0.06 1.05 -0.05 0.00 1.22 0.00 0.00 56.10 58.38 1sdx s TRP 347 Cb -0.18 -2.40 -0.02 0.00 -1.50 0.00 0.00 33.47 29.38 1sdx s TRP 347 CO 0.10 0.22 0.01 0.00 -4.62 0.00 0.00 176.95 172.67 1sdx s ALA 349 N 1.43 3.81 -0.45 0.00 0.00 0.57 -4.79 121.76 122.34 1sdx s ALA 349 Ca 0.05 -0.69 -0.14 0.00 0.00 0.00 0.00 51.96 51.18 1sdx s ALA 349 Cb -0.15 -1.88 0.06 0.00 0.00 0.00 0.00 23.12 21.15 1sdx s ALA 349 CO 0.01 0.64 0.35 0.08 0.00 0.00 0.00 175.76 176.83 1sdx s VAL 350 N -1.07 5.06 0.00 0.00 1.01 -1.26 -1.26 120.40 122.89 1sdx s VAL 350 Ca 0.17 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 61.14 1sdx s VAL 350 Cb -0.12 -3.98 0.00 0.00 0.00 0.00 0.00 36.38 32.28 1sdx s VAL 350 CO 0.06 -0.49 0.00 0.61 0.00 0.00 0.00 175.10 175.28 1sdx n GLY 351 N 5.14 -0.83 0.26 4.51 0.00 -0.31 -4.27 105.19 109.69 1sdx n GLY 351 Ca -0.12 -1.65 0.02 0.00 0.00 0.00 0.00 46.02 44.27 1sdx n GLY 351 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1sdx h PRO 352 N 0.00 0.44 -0.23 1.61 0.11 -1.93 -2.00 132.00 129.99 1sdx h PRO 352 Ca 0.00 -0.03 -0.18 0.00 0.11 0.00 0.00 66.00 65.90 1sdx h PRO 352 Cb 0.00 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.02 1sdx h PRO 352 CO 0.00 0.29 -0.58 0.93 -0.21 0.00 0.00 178.00 178.43 1sdx h GLU 353 N 0.45 0.80 -0.19 1.05 5.08 -1.96 -1.71 114.58 118.09 1sdx h GLU 353 Ca 0.36 -0.55 -0.10 0.00 -1.00 0.00 0.00 59.36 58.07 1sdx h GLU 353 Cb 0.48 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 1sdx h GLU 353 CO -0.35 1.18 -0.32 0.93 -1.00 0.00 0.00 179.01 179.45 1sdx h GLU 354 N 0.55 0.39 -0.11 2.33 5.08 -1.72 -2.45 114.58 118.65 1sdx h GLU 354 Ca -0.01 -0.16 -0.00 0.00 -1.00 0.00 0.00 59.36 58.19 1sdx h GLU 354 Cb 1.19 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 1sdx h GLU 354 CO 0.13 0.67 0.06 0.37 -1.00 0.00 0.00 179.01 179.23 1sdx h GLN 355 N 0.34 0.14 -0.51 2.33 4.15 -1.21 0.62 115.11 120.98 1sdx h GLN 355 Ca 0.04 -0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.49 1sdx h GLN 355 Cb 0.73 -0.03 -0.04 0.00 0.21 0.00 0.00 27.48 28.34 1sdx h GLN 355 CO 0.06 0.15 0.25 -0.22 -1.93 0.00 0.00 178.83 177.14 1sdx h LYS 356 N 0.10 0.48 -0.22 1.69 3.64 -1.08 0.73 116.57 121.91 1sdx h LYS 356 Ca 0.04 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.31 1sdx h LYS 356 Cb 0.04 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 1sdx h LYS 356 CO -0.01 0.32 -0.22 -0.22 -2.27 0.00 0.00 179.45 177.05 1sdx h LYS 357 N 0.50 0.40 -0.58 1.90 3.64 -1.21 -2.55 116.57 118.66 1sdx h LYS 357 Ca 0.22 -0.13 -0.10 0.00 -1.27 0.00 0.00 60.65 59.37 1sdx h LYS 357 Cb 0.14 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 1sdx h LYS 357 CO -0.16 0.60 -0.03 0.00 -2.27 0.00 0.00 179.45 177.59 1sdx h GLN 359 N 0.92 1.17 -0.38 0.00 4.20 -0.51 0.12 115.11 120.63 1sdx h GLN 359 Ca 0.16 -0.07 -0.05 0.00 0.06 0.00 0.00 58.65 58.75 1sdx h GLN 359 Cb 0.59 -0.26 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 1sdx h GLN 359 CO 0.03 0.78 0.03 1.96 -0.67 0.00 0.00 178.83 180.97 1sdx h GLN 360 N 1.21 0.66 -0.37 1.46 4.20 -1.20 -1.24 115.11 119.82 1sdx h GLN 360 Ca 0.41 -0.19 -0.06 0.00 0.06 0.00 0.00 58.65 58.86 1sdx h GLN 360 Cb 0.08 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 1sdx h GLN 360 CO -0.14 0.73 -0.04 2.35 -0.67 0.00 0.00 178.83 181.06 1sdx h TRP 361 N 0.49 0.64 0.08 2.96 7.01 -0.79 -1.65 115.95 124.69 1sdx h TRP 361 Ca 0.11 -0.08 -0.00 0.00 2.11 0.00 0.00 58.89 61.03 1sdx h TRP 361 Cb 0.41 -0.18 0.00 0.00 -2.10 0.00 0.00 29.16 27.30 1sdx h TRP 361 CO 0.03 0.64 -0.04 1.03 -2.79 0.00 0.00 178.44 177.31 1sdx h SER 362 N 0.57 -0.09 0.05 2.65 0.87 -0.49 -1.72 113.55 115.39 1sdx h SER 362 Ca 0.11 -0.16 0.03 0.00 -1.23 0.00 0.00 61.79 60.54 1sdx h SER 362 Cb 0.42 0.02 -0.05 0.00 -0.44 0.00 0.00 62.40 62.36 1sdx h SER 362 CO 0.02 0.11 -0.40 -0.61 -0.53 0.00 0.00 176.83 175.41 1sdx h GLN 363 N -0.29 -0.57 0.00 2.24 4.15 -0.96 -1.53 115.11 118.15 1sdx h GLN 363 Ca -0.01 0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.44 1sdx h GLN 363 Cb 0.25 0.13 -0.00 0.00 0.21 0.00 0.00 27.48 28.06 1sdx h GLN 363 CO 0.02 -0.38 -0.03 1.96 -1.93 0.00 0.00 178.83 178.47 1sdx h GLN 364 N -0.59 0.00 -0.01 1.69 1.08 -1.31 -2.56 115.11 113.40 1sdx h GLN 364 Ca 0.04 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 1sdx h GLN 364 Cb 0.65 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.08 1sdx h GLN 364 CO -0.28 0.03 -0.10 -1.13 -0.95 0.00 0.00 178.83 176.40 1sdx n SER 365 N -3.17 1.06 -1.71 1.46 3.41 -0.65 -4.91 113.62 109.11 1sdx n SER 365 Ca -0.01 -1.12 -0.13 0.00 -0.26 0.00 0.00 58.87 57.36 1sdx n SER 365 Cb 0.23 0.03 0.01 0.00 -0.26 0.00 0.00 64.21 64.22 1sdx n SER 365 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1sdx n GLY 366 N 1.23 -0.03 2.47 5.00 0.00 -0.97 -2.57 105.19 110.32 1sdx n GLY 366 Ca 0.17 -0.29 -0.15 0.00 0.00 0.00 0.00 46.02 45.74 1sdx n GLY 366 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1sdx n GLN 367 N -2.50 -1.11 0.21 1.61 1.13 -0.63 -4.83 117.38 111.25 1sdx n GLN 367 Ca -0.08 1.01 0.08 0.00 -1.94 0.00 0.00 57.00 56.08 1sdx n GLN 367 Cb 0.58 -5.18 0.37 0.00 0.11 0.00 0.00 30.24 26.12 1sdx n GLN 367 CO 0.00 0.00 0.00 -0.91 -1.44 0.00 0.00 177.06 174.71 1sdx h ASN 368 N 0.00 0.00 -4.11 1.08 2.35 -1.73 -3.41 115.58 109.76 1sdx h ASN 368 Ca -0.30 0.00 -0.69 0.00 -0.55 0.00 0.00 56.30 54.76 1sdx h ASN 368 Cb 1.01 0.00 -0.31 0.00 0.05 0.00 0.00 38.32 39.07 1sdx h ASN 368 CO 0.44 0.27 -0.88 -0.69 -1.65 0.00 0.00 177.43 174.93 1sdx s VAL 369 N -3.53 2.12 0.34 2.81 1.01 -1.26 -1.24 120.40 120.65 1sdx s VAL 369 Ca 0.01 -1.05 0.03 0.00 0.00 0.00 0.00 61.98 60.97 1sdx s VAL 369 Cb 0.10 -1.76 -0.05 0.00 0.00 0.00 0.00 36.38 34.66 1sdx s VAL 369 CO 0.66 0.57 0.09 0.28 0.00 0.00 0.00 175.10 176.70 1sdx s THR 370 N -0.26 0.89 0.02 3.92 -1.32 -0.04 -4.34 115.64 114.50 1sdx s THR 370 Ca -0.00 -2.00 0.05 0.00 -1.21 0.00 0.00 61.69 58.53 1sdx s THR 370 Cb -0.13 -2.63 -0.02 0.00 -1.51 0.00 0.00 72.50 68.21 1sdx s THR 370 CO 0.03 0.00 -0.16 0.00 -2.21 0.00 0.00 174.62 172.27 1sdx s ALA 372 N -0.61 1.99 0.07 0.00 0.00 0.06 -4.93 121.76 118.34 1sdx s ALA 372 Ca 0.05 -1.25 0.06 0.00 0.00 0.00 0.00 51.96 50.81 1sdx s ALA 372 Cb -0.07 -0.34 -0.03 0.00 0.00 0.00 0.00 23.12 22.68 1sdx s ALA 372 CO 0.00 0.44 -0.16 0.99 0.00 0.00 0.00 175.76 177.04 1sdx s THR 373 N -0.99 1.24 0.07 0.00 2.01 -1.26 -0.31 115.64 116.39 1sdx s THR 373 Ca 0.09 -1.27 -0.06 0.00 0.31 0.00 0.00 61.69 60.77 1sdx s THR 373 Cb -0.10 -1.16 -0.02 0.00 0.01 0.00 0.00 72.50 71.24 1sdx s THR 373 CO 0.04 -0.12 0.10 0.00 -0.69 0.00 0.00 174.62 173.94 1sdx s ALA 374 N -1.13 0.05 -0.08 7.40 0.00 -0.39 -4.92 121.76 122.69 1sdx s ALA 374 Ca 0.01 -0.81 0.20 0.00 0.00 0.00 0.00 51.96 51.36 1sdx s ALA 374 Cb -0.09 0.37 0.48 0.00 0.00 0.00 0.00 23.12 23.87 1sdx s ALA 374 CO 0.02 -0.43 1.63 0.77 0.00 0.00 0.00 175.76 177.76 1sdx h SER 375 N 3.04 0.00 -5.42 0.00 0.02 -1.95 -0.80 113.55 108.43 1sdx h SER 375 Ca -0.34 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.42 1sdx h SER 375 Cb 1.18 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.57 1sdx h SER 375 CO 0.59 0.30 -0.65 0.42 -1.14 0.00 0.00 176.83 176.35 1sdx s THR 376 N -3.29 0.10 0.18 -2.27 -4.23 -1.26 -4.49 115.64 100.38 1sdx s THR 376 Ca 0.03 -1.92 -0.10 0.00 -1.18 0.00 0.00 61.69 58.52 1sdx s THR 376 Cb 0.08 -2.07 0.07 0.00 1.34 0.00 0.00 72.50 71.93 1sdx s THR 376 CO 0.69 -0.44 1.67 0.74 -0.54 0.00 0.00 174.62 176.73 1sdx h THR 377 N 2.85 1.26 -0.69 3.99 2.02 -1.90 -2.32 112.91 118.11 1sdx h THR 377 Ca -0.35 -1.03 -0.00 0.00 0.77 0.00 0.00 66.41 65.80 1sdx h THR 377 Cb 1.20 0.73 -0.03 0.00 -1.74 0.00 0.00 68.15 68.30 1sdx h THR 377 CO 0.59 0.38 0.43 0.44 0.37 0.00 0.00 175.52 177.73 1sdx h ASP 378 N 0.94 0.82 -0.04 4.18 3.32 -1.96 -1.50 116.42 122.17 1sdx h ASP 378 Ca 0.19 -0.04 -0.12 0.00 0.02 0.00 0.00 57.03 57.08 1sdx h ASP 378 Cb 0.45 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 1sdx h ASP 378 CO 0.01 0.62 -0.35 0.44 -1.72 0.00 0.00 179.24 178.24 1sdx h ASP 379 N 0.95 0.55 -0.48 6.45 3.32 -1.90 -2.49 116.42 122.83 1sdx h ASP 379 Ca 0.25 -0.23 -0.08 0.00 0.02 0.00 0.00 57.03 57.00 1sdx h ASP 379 Cb -0.06 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.31 1sdx h ASP 379 CO -0.05 0.86 0.02 0.00 -1.72 0.00 0.00 179.24 178.35 1sdx h ILE 381 N 0.83 1.13 -0.60 0.00 1.08 -1.01 -1.54 117.51 117.40 1sdx h ILE 381 Ca 0.16 -0.29 -0.01 0.00 -0.39 0.00 0.00 64.86 64.33 1sdx h ILE 381 Cb 0.47 0.21 -0.03 0.00 -3.07 0.00 0.00 36.82 34.39 1sdx h ILE 381 CO 0.02 0.16 0.35 0.58 -0.69 0.00 0.00 178.15 178.56 1sdx h VAL 382 N 0.85 1.19 -1.01 1.67 2.07 -1.07 -0.56 116.25 119.39 1sdx h VAL 382 Ca 0.25 -0.45 0.01 0.00 0.82 0.00 0.00 66.70 67.33 1sdx h VAL 382 Cb -0.05 0.39 -0.05 0.00 -1.52 0.00 0.00 31.29 30.06 1sdx h VAL 382 CO -0.07 0.20 0.67 -0.07 0.02 0.00 0.00 177.57 178.31 1sdx h LEU 383 N 0.82 1.15 -0.26 2.57 3.38 -0.85 -0.10 115.31 122.01 1sdx h LEU 383 Ca 0.21 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 1sdx h LEU 383 Cb 0.02 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 1sdx h LEU 383 CO -0.04 0.83 0.10 0.58 0.09 0.00 0.00 178.44 180.00 1sdx h VAL 384 N 1.35 1.18 -0.87 1.22 2.07 -0.72 -0.45 116.25 120.03 1sdx h VAL 384 Ca 0.37 -0.55 0.04 0.00 0.82 0.00 0.00 66.70 67.38 1sdx h VAL 384 Cb -0.14 1.05 -0.06 0.00 -1.52 0.00 0.00 31.29 30.63 1sdx h VAL 384 CO -0.08 0.19 0.56 -0.07 0.02 0.00 0.00 177.57 178.18 1sdx h LEU 385 N 0.27 0.91 -1.17 2.57 3.38 -0.52 -0.82 115.31 119.93 1sdx h LEU 385 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1sdx h LEU 385 Cb 0.20 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1sdx h LEU 385 CO -0.01 0.61 0.00 0.11 0.09 0.00 0.00 178.44 179.24 1sdx h LYS 386 N 1.06 0.00 0.00 1.13 1.57 -0.71 -3.46 116.57 116.15 1sdx h LYS 386 Ca 0.36 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.14 1sdx h LYS 386 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1sdx h LYS 386 CO -0.14 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.15 1sdx n GLY 387 N 0.13 0.80 0.04 3.86 0.00 -0.31 -4.94 105.19 104.77 1sdx n GLY 387 Ca 0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.16 1sdx n GLY 387 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1sdx n GLU 388 N -2.32 0.17 -4.02 1.61 1.02 -0.29 -4.83 120.64 111.98 1sdx n GLU 388 Ca 0.00 0.06 -0.10 0.00 -0.02 0.00 0.00 57.16 57.11 1sdx n GLU 388 Cb 0.00 -1.62 -0.11 0.00 -0.02 0.00 0.00 31.44 29.69 1sdx n GLU 388 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1sdx s ALA 389 N -3.09 0.31 -0.21 0.62 0.00 -1.10 -4.94 121.76 113.34 1sdx s ALA 389 Ca 0.09 -0.74 0.04 0.00 0.00 0.00 0.00 51.96 51.35 1sdx s ALA 389 Cb 0.15 0.14 -0.20 0.00 0.00 0.00 0.00 23.12 23.21 1sdx s ALA 389 CO 0.68 -0.16 -0.01 -0.25 0.00 0.00 0.00 175.76 176.02 1sdx n ASP 390 N 1.31 1.60 -3.77 0.00 8.00 0.54 -4.08 116.55 120.16 1sdx n ASP 390 Ca -0.22 -0.02 -0.04 0.00 0.71 0.00 0.00 54.79 55.22 1sdx n ASP 390 Cb 0.56 -0.23 -0.01 0.00 -0.02 0.00 0.00 41.12 41.41 1sdx n ASP 390 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1sdx s ALA 391 N -2.53 -1.60 -0.01 2.24 0.00 -1.07 -4.20 121.76 114.60 1sdx s ALA 391 Ca -0.27 0.07 -0.29 0.00 0.00 0.00 0.00 51.96 51.48 1sdx s ALA 391 Cb 0.08 0.67 0.10 0.00 0.00 0.00 0.00 23.12 23.97 1sdx s ALA 391 CO 0.68 -1.04 0.88 -0.48 0.00 0.00 0.00 175.76 175.81 1sdx s LEU 392 N -2.93 -0.37 -0.16 0.00 2.34 -1.19 -1.62 118.68 114.74 1sdx s LEU 392 Ca 0.12 0.01 -0.17 0.00 0.06 0.00 0.00 54.13 54.15 1sdx s LEU 392 Cb -0.02 2.03 -0.04 0.00 -0.56 0.00 0.00 46.19 47.60 1sdx s LEU 392 CO 0.03 -0.62 0.46 0.21 -1.06 0.00 0.00 176.35 175.36 1sdx s ASN 393 N -2.45 6.58 0.10 1.48 2.47 -1.26 -1.60 114.94 120.25 1sdx s ASN 393 Ca 0.05 0.69 0.08 0.00 0.42 0.00 0.00 52.86 54.09 1sdx s ASN 393 Cb -0.01 -2.27 -0.03 0.00 -1.45 0.00 0.00 41.25 37.49 1sdx s ASN 393 CO -0.09 -0.06 -0.19 -0.76 -3.72 0.00 0.00 177.10 172.28 1sdx s LEU 394 N 1.02 2.30 0.69 3.21 1.43 0.15 -4.91 118.68 122.56 1sdx s LEU 394 Ca 0.23 -0.67 -0.12 0.00 -1.03 0.00 0.00 54.13 52.53 1sdx s LEU 394 Cb -0.15 -0.81 0.01 0.00 0.03 0.00 0.00 46.19 45.27 1sdx s LEU 394 CO 0.09 0.03 1.07 -0.62 0.23 0.00 0.00 176.35 177.15 1sdx s ASP 395 N -1.89 5.21 0.32 2.29 2.15 -1.26 -1.12 116.67 122.37 1sdx s ASP 395 Ca 0.05 1.77 0.06 0.00 0.43 0.00 0.00 52.55 54.85 1sdx s ASP 395 Cb -0.10 -2.52 0.71 0.00 -0.30 0.00 0.00 42.92 40.71 1sdx s ASP 395 CO 0.04 -1.56 1.84 1.23 -0.17 0.00 0.00 175.17 176.55 1sdx h GLY 396 N -0.46 1.48 1.21 2.66 0.00 -1.82 -1.69 103.07 104.44 1sdx h GLY 396 Ca -0.45 -0.36 -0.03 0.00 0.00 0.00 0.00 47.33 46.49 1sdx h GLY 396 CO 0.55 0.08 0.31 -1.33 0.00 0.00 0.00 176.54 176.15 1sdx h GLY 397 N 0.81 1.09 2.00 4.60 0.00 -1.89 -1.59 103.07 108.09 1sdx h GLY 397 Ca 0.49 -0.55 -0.07 0.00 0.00 0.00 0.00 47.33 47.20 1sdx h GLY 397 CO -0.26 0.52 -0.36 -0.97 0.00 0.00 0.00 176.54 175.48 1sdx h TYR 398 N 1.01 0.00 -0.07 5.60 0.05 -1.52 -2.87 116.97 119.17 1sdx h TYR 398 Ca 0.24 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.94 1sdx h TYR 398 Cb 0.15 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.88 1sdx h TYR 398 CO 0.01 0.36 -0.35 0.82 -1.05 0.00 0.00 178.16 177.95 1sdx h ILE 399 N 0.00 1.27 -0.25 -2.88 2.04 -0.44 -0.87 117.51 116.38 1sdx h ILE 399 Ca -0.00 -1.29 -0.03 0.00 1.00 0.00 0.00 64.86 64.53 1sdx h ILE 399 Cb 1.16 1.61 -0.01 0.00 -0.74 0.00 0.00 36.82 38.83 1sdx h ILE 399 CO 0.05 0.38 0.03 0.22 0.00 0.00 0.00 178.15 178.83 1sdx h TYR 400 N 0.12 0.46 -0.08 1.37 3.20 -1.15 0.27 116.97 121.15 1sdx h TYR 400 Ca 0.01 -0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.81 1sdx h TYR 400 Cb 0.67 -0.12 -0.00 0.00 1.54 0.00 0.00 36.73 38.81 1sdx h TYR 400 CO 0.01 0.56 0.05 1.15 -1.64 0.00 0.00 178.16 178.29 1sdx h THR 401 N 0.23 1.03 -0.79 1.81 2.02 -1.37 -2.60 112.91 113.24 1sdx h THR 401 Ca 0.08 -0.07 -0.03 0.00 0.77 0.00 0.00 66.41 67.16 1sdx h THR 401 Cb 0.36 0.93 -0.04 0.00 -1.74 0.00 0.00 68.15 67.66 1sdx h THR 401 CO 0.01 0.03 0.38 0.00 0.37 0.00 0.00 175.52 176.31 1sdx h ALA 402 N 1.02 1.18 -0.39 6.16 0.00 -1.12 -3.07 119.26 123.03 1sdx h ALA 402 Ca 0.03 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.80 1sdx h ALA 402 Cb 0.00 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1sdx h ALA 402 CO -0.01 0.63 0.24 0.78 0.00 0.00 0.00 179.25 180.89 1sdx h GLY 403 N 1.16 0.54 2.00 0.00 0.00 -0.70 -0.87 103.07 105.20 1sdx h GLY 403 Ca 0.27 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.41 1sdx h GLY 403 CO -0.04 0.16 -0.06 0.50 0.00 0.00 0.00 176.54 177.11 1sdx h LYS 404 N 0.48 0.00 -0.43 4.80 1.57 -1.38 0.10 116.57 121.72 1sdx h LYS 404 Ca 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1sdx h LYS 404 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.30 1sdx h LYS 404 CO -0.06 0.06 0.00 0.00 -0.57 0.00 0.00 179.45 178.88 1sdx n GLY 406 N 1.24 0.75 3.89 0.00 0.00 0.35 -5.07 105.19 106.35 1sdx n GLY 406 Ca 0.16 -0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 1sdx n GLY 406 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sdx s LEU 407 N 0.00 3.68 0.11 0.99 1.43 -0.43 -4.18 118.68 120.28 1sdx s LEU 407 Ca 0.00 1.04 0.06 0.00 -1.03 0.00 0.00 54.13 54.21 1sdx s LEU 407 Cb 0.00 -3.98 -0.04 0.00 0.03 0.00 0.00 46.19 42.21 1sdx s LEU 407 CO 0.00 -0.53 -0.15 0.68 0.23 0.00 0.00 176.35 176.58 1sdx s VAL 408 N -2.63 1.37 0.35 -1.59 -7.23 -0.12 -4.17 120.40 106.38 1sdx s VAL 408 Ca 0.49 -1.60 -0.28 0.00 -1.81 0.00 0.00 61.98 58.78 1sdx s VAL 408 Cb -0.10 -1.44 -0.10 0.00 0.56 0.00 0.00 36.38 35.29 1sdx s VAL 408 CO 0.40 -0.31 1.28 -2.84 -0.31 0.00 0.00 175.10 173.32 1sdx s PRO 409 N -2.33 4.28 0.01 4.82 0.02 -1.26 -1.89 135.00 138.65 1sdx s PRO 409 Ca 0.06 2.13 0.00 0.00 0.02 0.00 0.00 61.00 63.22 1sdx s PRO 409 Cb -0.07 -2.98 0.00 0.00 0.02 0.00 0.00 34.50 31.47 1sdx s PRO 409 CO 0.03 -0.22 0.00 0.28 -0.33 0.00 0.00 177.00 176.76 1sdx n VAL 410 N 0.63 0.17 -3.83 3.83 0.31 0.77 -4.92 118.33 115.29 1sdx n VAL 410 Ca 0.01 0.06 -0.12 0.00 -0.01 0.00 0.00 64.34 64.28 1sdx n VAL 410 Cb 0.43 -1.48 -0.09 0.00 -0.91 0.00 0.00 33.84 31.79 1sdx n VAL 410 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1sdx s LEU 411 N -6.11 1.28 0.17 7.52 1.43 -1.24 -4.41 118.68 117.33 1sdx s LEU 411 Ca 0.00 -0.11 0.09 0.00 -1.03 0.00 0.00 54.13 53.08 1sdx s LEU 411 Cb 0.00 0.92 -0.04 0.00 0.03 0.00 0.00 46.19 47.09 1sdx s LEU 411 CO 0.00 -0.41 -0.12 0.00 0.23 0.00 0.00 176.35 176.05 1sdx s ALA 412 N -1.45 2.88 0.31 4.21 0.00 -0.26 -0.76 121.76 126.69 1sdx s ALA 412 Ca -0.14 -1.48 -0.29 0.00 0.00 0.00 0.00 51.96 50.06 1sdx s ALA 412 Cb -0.06 -0.69 -0.10 0.00 0.00 0.00 0.00 23.12 22.27 1sdx s ALA 412 CO 0.02 0.48 1.17 -1.21 0.00 0.00 0.00 175.76 176.22 1sdx s GLU 413 N -2.74 4.51 -0.09 0.00 2.02 -0.65 0.09 118.70 121.84 1sdx s GLU 413 Ca 0.24 1.93 0.00 0.00 0.02 0.00 0.00 54.97 57.16 1sdx s GLU 413 Cb -0.09 -3.11 0.02 0.00 0.10 0.00 0.00 34.13 31.06 1sdx s GLU 413 CO 0.14 0.05 -0.08 1.21 0.02 0.00 0.00 175.26 176.60 1sdx s ASN 414 N -0.79 1.86 0.47 -0.19 3.04 0.07 -4.77 114.94 114.64 1sdx s ASN 414 Ca 0.47 -0.26 0.08 0.00 0.04 0.00 0.00 52.86 53.19 1sdx s ASN 414 Cb -0.34 -0.75 0.03 0.00 -1.54 0.00 0.00 41.25 38.65 1sdx s ASN 414 CO 0.44 -0.08 0.57 0.00 -3.04 0.00 0.00 177.10 174.99 1sdx s ARG 415 N 1.37 2.56 0.07 0.43 1.70 -1.26 0.12 118.95 123.94 1sdx s ARG 415 Ca -0.02 -1.50 -0.31 0.00 -0.47 0.00 0.00 55.73 53.43 1sdx s ARG 415 Cb -0.14 -2.57 -0.08 0.00 -0.57 0.00 0.00 34.95 31.59 1sdx s ARG 415 CO -0.04 -0.45 1.61 -1.59 -1.08 0.00 0.00 175.30 173.75 1sdx s LYS 416 N -4.38 4.21 0.12 3.89 -2.85 -1.26 -4.79 119.74 114.68 1sdx s LYS 416 Ca 0.53 2.29 0.04 0.00 -1.00 0.00 0.00 55.97 57.83 1sdx s LYS 416 Cb -0.06 -3.53 -0.04 0.00 -2.06 0.00 0.00 37.83 32.14 1sdx s LYS 416 CO 0.32 -0.69 -0.11 -1.54 0.10 0.00 0.00 175.35 173.43 1sdx s SER 417 N 2.15 1.68 -0.22 0.03 1.04 -1.26 -5.09 113.70 112.03 1sdx s SER 417 Ca 0.72 -0.89 0.00 0.00 0.48 0.00 0.00 55.95 56.26 1sdx s SER 417 Cb -0.39 -0.01 -0.20 0.00 0.10 0.00 0.00 66.02 65.52 1sdx s SER 417 CO 0.31 -0.27 -0.05 -1.54 0.98 0.00 0.00 173.24 172.67 1sdx n SER 418 N 0.25 1.94 0.17 7.02 3.41 -1.26 -4.65 113.62 120.51 1sdx n SER 418 Ca -0.14 -0.04 0.02 0.00 -0.26 0.00 0.00 58.87 58.45 1sdx n SER 418 Cb 0.59 -0.48 0.31 0.00 -0.26 0.00 0.00 64.21 64.37 1sdx n SER 418 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1sdx h LYS 419 N 0.02 0.00 -2.28 4.33 3.11 -2.03 -3.26 116.57 116.46 1sdx h LYS 419 Ca -0.53 0.00 -0.62 0.00 -2.81 0.00 0.00 60.65 56.68 1sdx h LYS 419 Cb 1.95 0.00 -0.40 0.00 -1.00 0.00 0.00 32.23 32.78 1sdx h LYS 419 CO -0.04 0.43 -0.41 0.72 -2.81 0.00 0.00 179.45 177.35 1sdx n HIS 420 N -4.00 3.88 0.65 1.91 8.25 -1.26 -4.86 115.22 119.79 1sdx n HIS 420 Ca -0.02 -3.79 0.13 0.00 -0.26 0.00 0.00 57.72 53.78 1sdx n HIS 420 Cb 0.46 -0.58 0.33 0.00 1.12 0.00 0.00 29.99 31.32 1sdx n HIS 420 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1sdx n SER 421 N -0.23 0.70 0.17 0.41 3.41 -1.23 -3.87 113.62 112.98 1sdx n SER 421 Ca 0.33 0.38 0.03 0.00 -0.26 0.00 0.00 58.87 59.35 1sdx n SER 421 Cb 0.37 -0.40 0.28 0.00 -0.26 0.00 0.00 64.21 64.21 1sdx n SER 421 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1sdx h SER 422 N 0.00 0.00 -3.58 4.04 4.64 -1.91 -3.45 113.55 113.29 1sdx h SER 422 Ca 0.00 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.81 1sdx h SER 422 Cb 0.71 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.79 1sdx h SER 422 CO 0.00 0.47 0.03 -0.76 -0.87 0.00 0.00 176.83 175.70 1sdx s LEU 423 N -7.45 4.00 0.64 5.97 1.43 -1.25 -5.07 118.68 116.95 1sdx s LEU 423 Ca -0.01 1.07 -0.15 0.00 -1.03 0.00 0.00 54.13 54.01 1sdx s LEU 423 Cb 0.12 -3.90 -0.01 0.00 0.03 0.00 0.00 46.19 42.43 1sdx s LEU 423 CO 0.72 -0.25 1.09 -0.62 0.23 0.00 0.00 176.35 177.52 1sdx s ASP 424 N -2.75 5.36 0.14 2.29 2.15 -1.26 -4.84 116.67 117.76 1sdx s ASP 424 Ca 0.50 1.91 -0.19 0.00 0.43 0.00 0.00 52.55 55.21 1sdx s ASP 424 Cb -0.10 -2.54 0.01 0.00 -0.30 0.00 0.00 42.92 39.98 1sdx s ASP 424 CO 0.25 -1.46 1.72 0.00 -0.17 0.00 0.00 175.17 175.51 1sdx h VAL 426 N 0.10 0.64 -0.00 0.00 2.07 -1.93 -1.96 116.25 115.16 1sdx h VAL 426 Ca 0.12 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.64 1sdx h VAL 426 Cb 0.15 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1sdx h VAL 426 CO -0.20 0.00 -0.92 0.18 0.02 0.00 0.00 177.57 176.66 1sdx n LEU 427 N -4.04 0.98 -4.74 2.57 4.77 -1.08 -0.98 117.00 114.49 1sdx n LEU 427 Ca -0.00 -0.51 -0.41 0.00 -0.03 0.00 0.00 56.01 55.05 1sdx n LEU 427 Cb 0.21 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.26 1sdx n LEU 427 CO 0.30 0.24 0.89 -0.60 -1.33 0.00 0.00 177.39 176.89 1sdx s ARG 428 N -2.86 4.47 0.74 3.23 3.52 -0.64 -4.95 118.95 122.46 1sdx s ARG 428 Ca 0.08 1.89 -0.15 0.00 -0.13 0.00 0.00 55.73 57.41 1sdx s ARG 428 Cb 0.15 -3.25 0.04 0.00 -1.56 0.00 0.00 34.95 30.34 1sdx s ARG 428 CO 0.81 -0.12 1.23 -2.14 -0.81 0.00 0.00 175.30 174.27 1sdx s PRO 429 N -0.10 2.04 0.17 5.12 0.02 -1.26 -4.88 135.00 136.11 1sdx s PRO 429 Ca 0.54 1.85 -0.15 0.00 0.02 0.00 0.00 61.00 63.25 1sdx s PRO 429 Cb -0.33 -1.81 -0.07 0.00 0.02 0.00 0.00 34.50 32.31 1sdx s PRO 429 CO 0.36 -1.94 0.59 0.95 -0.33 0.00 0.00 177.00 176.63 1sdx s THR 430 N -1.88 4.79 -0.08 0.99 -4.23 -1.26 -5.00 115.64 108.96 1sdx s THR 430 Ca 0.76 0.93 -0.03 0.00 -1.18 0.00 0.00 61.69 62.17 1sdx s THR 430 Cb -0.31 -3.76 -0.26 0.00 1.34 0.00 0.00 72.50 69.50 1sdx s THR 430 CO 0.46 0.23 0.51 -0.08 -0.54 0.00 0.00 174.62 175.20 1sdx h GLU 431 N 3.51 0.23 0.00 3.99 4.81 -1.94 -3.50 114.58 121.68 1sdx h GLU 431 Ca -0.48 -0.39 0.00 0.00 -0.13 0.00 0.00 59.36 58.35 1sdx h GLU 431 Cb 1.19 0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.72 1sdx h GLU 431 CO 0.66 1.08 0.00 0.41 -0.73 0.00 0.00 179.01 180.43 1sdx n GLY 432 N 1.86 1.08 3.52 1.92 0.00 -1.26 -4.96 105.19 107.35 1sdx n GLY 432 Ca -0.27 -1.89 -0.25 0.00 0.00 0.00 0.00 46.02 43.61 1sdx n GLY 432 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1sdx s TYR 433 N -2.34 2.37 -0.28 1.61 -0.85 -0.26 -4.86 117.35 112.74 1sdx s TYR 433 Ca 0.00 -0.42 -0.17 0.00 -0.52 0.00 0.00 57.07 55.95 1sdx s TYR 433 Cb 0.00 -1.23 -0.02 0.00 0.38 0.00 0.00 41.96 41.09 1sdx s TYR 433 CO 0.00 0.63 0.49 -0.51 -1.52 0.00 0.00 175.55 174.65 1sdx s LEU 434 N -3.58 4.11 -0.12 -3.49 1.43 -1.26 0.76 118.68 116.54 1sdx s LEU 434 Ca 0.32 0.37 -0.28 0.00 -1.03 0.00 0.00 54.13 53.51 1sdx s LEU 434 Cb -0.01 -2.61 -0.02 0.00 0.03 0.00 0.00 46.19 43.59 1sdx s LEU 434 CO 0.16 -0.31 0.92 0.00 0.23 0.00 0.00 176.35 177.35 1sdx s ALA 435 N 2.29 3.42 0.22 4.21 0.00 -0.13 -1.11 121.76 130.66 1sdx s ALA 435 Ca 0.20 0.25 0.05 0.00 0.00 0.00 0.00 51.96 52.45 1sdx s ALA 435 Cb -0.16 -3.32 -0.05 0.00 0.00 0.00 0.00 23.12 19.60 1sdx s ALA 435 CO 0.10 -0.55 -0.06 0.14 0.00 0.00 0.00 175.76 175.39 1sdx s VAL 436 N 1.89 1.32 -0.18 0.00 -7.23 -0.11 -0.06 120.40 116.03 1sdx s VAL 436 Ca 0.44 -2.09 -0.01 0.00 -1.81 0.00 0.00 61.98 58.51 1sdx s VAL 436 Cb -0.18 -2.22 -0.00 0.00 0.56 0.00 0.00 36.38 34.55 1sdx s VAL 436 CO 0.17 -0.45 -0.13 0.00 -0.31 0.00 0.00 175.10 174.37 1sdx s ALA 437 N -3.23 2.56 -0.00 1.32 0.00 -1.26 -2.22 121.76 118.92 1sdx s ALA 437 Ca 0.25 -1.10 0.07 0.00 0.00 0.00 0.00 51.96 51.18 1sdx s ALA 437 Cb 0.04 -1.35 -0.03 0.00 0.00 0.00 0.00 23.12 21.78 1sdx s ALA 437 CO 0.07 -0.18 -0.21 0.08 0.00 0.00 0.00 175.76 175.52 1sdx s VAL 438 N 1.05 2.50 0.19 0.00 1.01 -0.22 -1.04 120.40 123.89 1sdx s VAL 438 Ca -0.01 -1.07 -0.01 0.00 0.00 0.00 0.00 61.98 60.89 1sdx s VAL 438 Cb -0.15 -1.96 -0.04 0.00 0.00 0.00 0.00 36.38 34.23 1sdx s VAL 438 CO -0.03 0.49 0.11 0.68 0.00 0.00 0.00 175.10 176.35 1sdx s VAL 439 N -0.75 0.08 0.05 2.92 -7.23 -0.29 -1.33 120.40 113.85 1sdx s VAL 439 Ca 0.12 -1.98 -0.22 0.00 -1.81 0.00 0.00 61.98 58.09 1sdx s VAL 439 Cb -0.10 -2.38 -0.06 0.00 0.56 0.00 0.00 36.38 34.39 1sdx s VAL 439 CO 0.01 -0.13 0.66 -0.54 -0.31 0.00 0.00 175.10 174.79 1sdx s LYS 440 N -4.12 4.38 0.22 4.82 1.02 -1.26 -1.12 119.74 123.68 1sdx s LYS 440 Ca 0.35 0.88 -0.08 0.00 0.02 0.00 0.00 55.97 57.14 1sdx s LYS 440 Cb 0.07 -3.32 0.35 0.00 -0.52 0.00 0.00 37.83 34.41 1sdx s LYS 440 CO 0.09 0.42 1.70 -0.22 -0.92 0.00 0.00 175.35 176.42 1sdx h LYS 441 N 5.26 0.25 -0.39 1.68 3.64 -0.82 -0.72 116.57 125.49 1sdx h LYS 441 Ca -0.46 -0.02 0.11 0.00 -1.27 0.00 0.00 60.65 59.02 1sdx h LYS 441 Cb 1.21 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.95 1sdx h LYS 441 CO 0.68 0.17 0.38 0.00 -2.27 0.00 0.00 179.45 178.41 1sdx h ALA 442 N 1.53 2.12 -0.22 5.00 0.00 -1.94 -2.83 119.26 122.92 1sdx h ALA 442 Ca 0.35 -0.01 -0.70 0.00 0.00 0.00 0.00 54.91 54.55 1sdx h ALA 442 Cb 0.55 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1sdx h ALA 442 CO -0.44 -0.58 3.33 -1.71 0.00 0.00 0.00 179.25 179.85 1sdx n ASN 443 N -3.85 8.18 -4.70 0.00 2.85 -0.28 -4.95 115.26 112.52 1sdx n ASN 443 Ca 0.07 -2.78 -0.32 0.00 -0.11 0.00 0.00 54.58 51.44 1sdx n ASN 443 Cb 0.56 -1.50 0.14 0.00 1.24 0.00 0.00 39.78 40.21 1sdx n ASN 443 CO 0.00 0.00 0.00 -1.83 -2.11 0.00 0.00 177.26 173.32 1sdx s GLU 444 N 1.16 1.43 0.00 1.20 -1.05 -1.07 -2.92 118.70 117.46 1sdx s GLU 444 Ca 0.63 1.52 0.00 0.00 -0.15 0.00 0.00 54.97 56.97 1sdx s GLU 444 Cb 0.18 -1.78 0.00 0.00 -0.44 0.00 0.00 34.13 32.09 1sdx s GLU 444 CO -0.07 -2.32 0.00 0.41 0.95 0.00 0.00 175.26 174.23 1sdx n GLY 445 N -0.01 2.82 3.67 -3.83 0.00 -1.26 -4.98 105.19 101.60 1sdx n GLY 445 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1sdx n GLY 445 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1sdx s LEU 446 N 0.00 4.16 0.33 0.99 2.96 -1.15 -4.94 118.68 121.05 1sdx s LEU 446 Ca 0.00 1.18 0.05 0.00 -0.22 0.00 0.00 54.13 55.13 1sdx s LEU 446 Cb 0.00 -3.25 -0.03 0.00 0.50 0.00 0.00 46.19 43.41 1sdx s LEU 446 CO 0.00 -0.42 0.19 0.42 -1.32 0.00 0.00 176.35 175.22 1sdx s THR 447 N 2.27 0.26 0.42 3.68 -4.23 -1.26 -4.98 115.64 111.79 1sdx s THR 447 Ca 0.38 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 59.04 1sdx s THR 447 Cb -0.16 -2.46 0.34 0.00 1.34 0.00 0.00 72.50 71.56 1sdx s THR 447 CO 0.12 0.00 1.93 -0.25 -0.54 0.00 0.00 174.62 175.88 1sdx h TRP 448 N 2.10 0.51 0.00 3.99 2.91 -1.82 -1.21 115.95 122.44 1sdx h TRP 448 Ca -0.31 0.01 0.00 0.00 1.13 0.00 0.00 58.89 59.72 1sdx h TRP 448 Cb 1.25 -0.16 0.00 0.00 -0.51 0.00 0.00 29.16 29.74 1sdx h TRP 448 CO 1.35 0.21 0.00 0.09 -1.03 0.00 0.00 178.44 179.06 1sdx n ASN 449 N -4.48 0.00 -0.64 2.65 3.02 -1.26 -3.61 115.26 110.93 1sdx n ASN 449 Ca 0.14 -0.57 0.06 0.00 -0.03 0.00 0.00 54.58 54.17 1sdx n ASN 449 Cb 0.48 -0.13 0.14 0.00 -0.61 0.00 0.00 39.78 39.65 1sdx n ASN 449 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1sdx n SER 450 N -1.13 1.56 0.25 6.41 3.41 -0.46 -4.76 113.62 118.89 1sdx n SER 450 Ca 0.19 -3.17 0.15 0.00 -0.26 0.00 0.00 58.87 55.78 1sdx n SER 450 Cb 0.17 -0.43 0.46 0.00 -0.26 0.00 0.00 64.21 64.15 1sdx n SER 450 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1sdx h LEU 451 N 0.67 0.00 -9.45 1.04 3.38 -1.61 -3.45 115.31 105.90 1sdx h LEU 451 Ca -0.04 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.32 1sdx h LEU 451 Cb 1.21 0.00 0.06 0.00 0.09 0.00 0.00 40.66 42.02 1sdx h LEU 451 CO 0.02 0.02 0.67 1.17 0.09 0.00 0.00 178.44 180.42 1sdx n LYS 452 N -3.11 1.85 -0.97 1.13 0.00 -1.26 -1.69 118.16 114.10 1sdx n LYS 452 Ca 0.02 0.67 0.00 0.00 0.00 0.00 0.00 58.31 58.99 1sdx n LYS 452 Cb 0.41 -2.38 0.00 0.00 0.00 0.00 0.00 35.03 33.05 1sdx n LYS 452 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1sdx n ASP 453 N 3.02 -3.93 -3.71 3.14 10.43 -0.27 -4.97 116.55 120.26 1sdx n ASP 453 Ca 0.17 0.00 -0.17 0.00 2.57 0.00 0.00 54.79 57.36 1sdx n ASP 453 Cb 0.26 -1.86 0.10 0.00 1.84 0.00 0.00 41.12 41.46 1sdx n ASP 453 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 1sdx n LYS 454 N -1.18 -0.09 -3.89 -1.24 4.76 -0.68 -3.92 118.16 111.92 1sdx n LYS 454 Ca 0.00 -1.83 -0.35 0.00 -2.87 0.00 0.00 58.31 53.25 1sdx n LYS 454 Cb 0.21 -0.56 -0.08 0.00 -1.84 0.00 0.00 35.03 32.76 1sdx n LYS 454 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1sdx s LYS 455 N -4.44 3.83 0.14 1.97 1.02 -1.26 -1.27 119.74 119.72 1sdx s LYS 455 Ca 0.48 -0.24 0.10 0.00 0.02 0.00 0.00 55.97 56.33 1sdx s LYS 455 Cb -0.02 -3.25 -0.04 0.00 -0.52 0.00 0.00 37.83 34.00 1sdx s LYS 455 CO 0.32 0.46 -0.24 -1.54 -0.92 0.00 0.00 175.35 173.44 1sdx s SER 456 N -0.13 3.02 -0.15 2.83 1.04 -0.64 -0.48 113.70 119.19 1sdx s SER 456 Ca 0.09 -0.76 0.01 0.00 0.48 0.00 0.00 55.95 55.77 1sdx s SER 456 Cb -0.12 -0.19 0.02 0.00 0.10 0.00 0.00 66.02 65.83 1sdx s SER 456 CO 0.01 0.11 -0.18 0.00 0.98 0.00 0.00 173.24 174.15 1sdx s HIS 458 N 1.14 2.19 0.13 0.00 3.76 -0.55 -1.40 115.29 120.57 1sdx s HIS 458 Ca -0.01 -0.39 -0.17 0.00 -0.15 0.00 0.00 55.06 54.34 1sdx s HIS 458 Cb -0.14 -1.22 -0.03 0.00 1.11 0.00 0.00 32.58 32.30 1sdx s HIS 458 CO -0.07 0.26 1.71 1.79 -0.85 0.00 0.00 174.74 177.58 1sdx h THR 459 N 4.02 1.15 0.00 1.30 1.35 -1.74 -3.41 112.91 115.57 1sdx h THR 459 Ca -0.49 -0.40 0.00 0.00 -0.55 0.00 0.00 66.41 64.97 1sdx h THR 459 Cb 1.17 0.82 0.00 0.00 -1.73 0.00 0.00 68.15 68.41 1sdx h THR 459 CO 0.40 0.15 0.00 0.00 -0.25 0.00 0.00 175.52 175.83 1sdx n ALA 460 N -2.24 0.00 -1.75 6.62 0.00 -1.26 -1.31 120.51 120.56 1sdx n ALA 460 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.04 1sdx n ALA 460 Cb 0.09 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.58 1sdx n ALA 460 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1sdx s VAL 461 N -2.00 2.19 0.00 0.00 1.01 0.26 -2.79 120.40 119.06 1sdx s VAL 461 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.12 1sdx s VAL 461 Cb 0.00 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.31 1sdx s VAL 461 CO 0.00 -0.00 0.00 0.47 0.00 0.00 0.00 175.10 175.57 1sdx n ASP 462 N -0.91 0.00 -4.91 3.32 8.00 -1.26 -4.96 116.55 115.83 1sdx n ASP 462 Ca 0.10 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.32 1sdx n ASP 462 Cb 0.45 -0.21 -0.02 0.00 -0.02 0.00 0.00 41.12 41.33 1sdx n ASP 462 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1sdx s ARG 463 N -0.07 3.60 0.00 -1.24 0.52 -1.12 -4.00 118.95 116.64 1sdx s ARG 463 Ca 0.00 0.09 0.00 0.00 -0.52 0.00 0.00 55.73 55.30 1sdx s ARG 463 Cb 0.00 -2.51 0.00 0.00 0.52 0.00 0.00 34.95 32.96 1sdx s ARG 463 CO 0.00 0.01 0.93 2.41 0.02 0.00 0.00 175.30 178.68 1sdx n THR 464 N -1.61 0.00 0.05 0.02 -1.04 -1.26 -0.43 114.28 110.01 1sdx n THR 464 Ca -0.01 1.43 -0.06 0.00 -2.04 0.00 0.00 64.05 63.37 1sdx n THR 464 Cb 0.55 -2.41 0.11 0.00 -1.82 0.00 0.00 70.33 66.76 1sdx n THR 464 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1sdx h ALA 465 N -1.96 0.83 0.00 2.41 0.00 -1.91 -1.76 119.26 116.87 1sdx h ALA 465 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1sdx h ALA 465 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1sdx h ALA 465 CO 0.00 0.69 -0.15 0.78 0.00 0.00 0.00 179.25 180.57 1sdx h GLY 466 N 1.28 0.00 0.00 0.00 0.00 -1.68 -3.40 103.07 99.27 1sdx h GLY 466 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1sdx h GLY 466 CO 0.09 0.00 0.00 1.87 0.00 0.00 0.00 176.54 178.50 1sdx n TRP 467 N -2.74 -1.56 -0.21 5.60 -0.00 -0.61 -4.27 117.44 113.66 1sdx n TRP 467 Ca 0.04 0.29 0.01 0.00 -0.00 0.00 0.00 57.50 57.85 1sdx n TRP 467 Cb 0.50 0.71 0.12 0.00 -0.00 0.00 0.00 31.31 32.63 1sdx n TRP 467 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 177.69 176.78 1sdx h ASN 468 N 0.00 0.08 0.36 5.87 2.35 -0.75 -0.88 115.58 122.61 1sdx h ASN 468 Ca 0.00 0.11 -0.02 0.00 -0.55 0.00 0.00 56.30 55.84 1sdx h ASN 468 Cb 0.00 0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.50 1sdx h ASN 468 CO 0.00 0.04 -0.17 0.40 -1.65 0.00 0.00 177.43 176.05 1sdx h ILE 469 N 0.31 0.53 0.08 2.81 1.08 -1.54 -2.13 117.51 118.66 1sdx h ILE 469 Ca 0.33 -0.62 0.02 0.00 -0.39 0.00 0.00 64.86 64.20 1sdx h ILE 469 Cb 0.48 0.79 -0.04 0.00 -3.07 0.00 0.00 36.82 34.98 1sdx h ILE 469 CO -0.39 0.10 -0.32 -0.65 -0.69 0.00 0.00 178.15 176.20 1sdx h PRO 470 N -0.89 -0.50 -0.12 2.37 0.11 -1.76 -1.84 132.00 129.37 1sdx h PRO 470 Ca -0.05 0.03 -0.09 0.00 0.11 0.00 0.00 66.00 66.01 1sdx h PRO 470 Cb 0.54 0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.75 1sdx h PRO 470 CO 0.08 -0.34 -0.31 0.52 -0.21 0.00 0.00 178.00 177.75 1sdx h MET 471 N -0.52 0.24 -0.31 1.05 2.86 -1.30 -1.18 114.93 115.76 1sdx h MET 471 Ca 0.04 -0.09 -0.05 0.00 -2.06 0.00 0.00 59.70 57.54 1sdx h MET 471 Cb 0.57 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.20 1sdx h MET 471 CO -0.21 0.52 -0.01 0.78 1.06 0.00 0.00 176.91 179.05 1sdx h GLY 472 N 1.05 0.61 1.01 8.32 0.00 -1.23 0.21 103.07 113.05 1sdx h GLY 472 Ca 0.03 -0.46 -0.03 0.00 0.00 0.00 0.00 47.33 46.87 1sdx h GLY 472 CO 0.05 0.42 0.32 1.41 0.00 0.00 0.00 176.54 178.74 1sdx h LEU 473 N 0.36 0.91 -0.60 3.11 3.38 -1.06 -1.98 115.31 119.43 1sdx h LEU 473 Ca 0.09 -0.14 -0.14 0.00 0.09 0.00 0.00 57.88 57.77 1sdx h LEU 473 Cb 0.46 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1sdx h LEU 473 CO 0.02 0.79 -0.46 0.40 0.09 0.00 0.00 178.44 179.28 1sdx h ILE 474 N 0.96 1.31 0.20 1.22 2.04 -1.08 -1.62 117.51 120.53 1sdx h ILE 474 Ca 0.24 -1.66 -0.01 0.00 1.00 0.00 0.00 64.86 64.43 1sdx h ILE 474 Cb 0.13 1.63 0.00 0.00 -0.74 0.00 0.00 36.82 37.84 1sdx h ILE 474 CO -0.03 0.52 -0.10 0.58 0.00 0.00 0.00 178.15 179.13 1sdx h VAL 475 N 0.46 0.87 0.08 1.67 2.07 -0.77 -0.85 116.25 119.80 1sdx h VAL 475 Ca 0.03 -0.37 -0.00 0.00 0.82 0.00 0.00 66.70 67.18 1sdx h VAL 475 Cb 0.98 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 1sdx h VAL 475 CO 0.09 0.08 -0.14 0.78 0.02 0.00 0.00 177.57 178.40 1sdx h ASN 476 N -0.45 -0.40 -0.61 0.57 2.35 -1.33 0.42 115.58 116.14 1sdx h ASN 476 Ca -0.03 0.04 0.18 0.00 -0.55 0.00 0.00 56.30 55.94 1sdx h ASN 476 Cb 0.34 0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.83 1sdx h ASN 476 CO 0.04 -0.16 0.72 1.56 -1.65 0.00 0.00 177.43 177.94 1sdx h GLN 477 N -0.23 0.00 0.00 0.81 4.20 -1.32 -0.66 115.11 117.91 1sdx h GLN 477 Ca -0.01 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.66 1sdx h GLN 477 Cb 0.22 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 1sdx h GLN 477 CO -0.05 0.00 -1.93 2.41 -0.67 0.00 0.00 178.83 178.59 1sdx n THR 478 N -3.49 0.24 -2.49 -0.54 -1.04 -0.33 -4.98 114.28 101.65 1sdx n THR 478 Ca 0.12 -0.55 -0.17 0.00 -2.04 0.00 0.00 64.05 61.42 1sdx n THR 478 Cb 0.93 -0.10 0.00 0.00 -1.82 0.00 0.00 70.33 69.34 1sdx n THR 478 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1sdx n GLY 479 N 1.31 -0.30 3.14 3.41 0.00 0.14 -4.99 105.19 107.89 1sdx n GLY 479 Ca -0.07 -0.14 -0.12 0.00 0.00 0.00 0.00 46.02 45.68 1sdx n GLY 479 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1sdx s SER 480 N -2.41 -0.18 -0.02 1.61 0.15 -1.19 -5.02 113.70 106.64 1sdx s SER 480 Ca 0.08 0.26 0.14 0.00 0.70 0.00 0.00 55.95 57.13 1sdx s SER 480 Cb -0.03 0.40 0.44 0.00 -1.71 0.00 0.00 66.02 65.11 1sdx s SER 480 CO 0.10 -0.21 1.35 0.00 1.20 0.00 0.00 173.24 175.67 1sdx n ALA 482 N 0.85 6.47 0.26 0.00 0.00 -1.26 -4.58 120.51 122.25 1sdx n ALA 482 Ca 0.16 -2.65 0.10 0.00 0.00 0.00 0.00 53.44 51.06 1sdx n ALA 482 Cb 0.45 -2.26 0.49 0.00 0.00 0.00 0.00 19.45 18.13 1sdx n ALA 482 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1sdx n PHE 483 N 1.56 0.66 1.38 0.00 -1.74 -1.26 -0.93 117.46 117.14 1sdx n PHE 483 Ca 0.48 0.31 0.14 0.00 -0.56 0.00 0.00 57.45 57.81 1sdx n PHE 483 Cb 0.67 -0.99 0.60 0.00 1.52 0.00 0.00 39.48 41.28 1sdx n PHE 483 CO 0.00 0.00 0.00 -0.40 -0.56 0.00 0.00 176.76 175.80 1sdx n ASP 484 N -2.15 0.47 -0.28 5.98 5.75 -1.26 -3.32 116.55 121.74 1sdx n ASP 484 Ca 0.00 -0.54 0.03 0.00 -0.01 0.00 0.00 54.79 54.27 1sdx n ASP 484 Cb 0.12 -0.07 0.06 0.00 -1.03 0.00 0.00 41.12 40.19 1sdx n ASP 484 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1sdx n GLU 485 N -0.97 2.19 -0.04 0.11 1.02 -0.11 -4.74 120.64 118.11 1sdx n GLU 485 Ca 0.14 -1.54 -0.10 0.00 -0.02 0.00 0.00 57.16 55.64 1sdx n GLU 485 Cb 0.28 -1.12 -0.09 0.00 -0.02 0.00 0.00 31.44 30.49 1sdx n GLU 485 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1sdx h PHE 486 N 0.97 -0.04 -3.34 -0.32 3.57 -1.54 -3.46 116.94 112.78 1sdx h PHE 486 Ca 0.00 -0.00 -0.52 0.00 3.53 0.00 0.00 57.97 60.98 1sdx h PHE 486 Cb 0.52 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.26 1sdx h PHE 486 CO 0.08 0.60 -0.09 -0.06 -2.23 0.00 0.00 178.31 176.61 1sdx s PHE 487 N -2.39 3.46 0.05 0.41 0.08 -1.26 -1.11 117.98 117.21 1sdx s PHE 487 Ca -0.13 0.77 -0.17 0.00 0.12 0.00 0.00 56.93 57.51 1sdx s PHE 487 Cb -0.01 -2.20 -0.19 0.00 -0.57 0.00 0.00 43.02 40.05 1sdx s PHE 487 CO 0.49 0.15 1.22 0.66 -0.10 0.00 0.00 175.22 177.63 1sdx h SER 488 N 1.81 0.67 -5.00 1.36 4.64 -1.30 -3.45 113.55 112.28 1sdx h SER 488 Ca -0.47 -0.66 -0.12 0.00 -0.47 0.00 0.00 61.79 60.06 1sdx h SER 488 Cb 1.18 -0.20 -0.20 0.00 -0.31 0.00 0.00 62.40 62.88 1sdx h SER 488 CO 0.66 1.23 -0.35 -1.10 -0.87 0.00 0.00 176.83 176.40 1sdx s GLN 489 N -3.60 0.63 0.27 4.77 -0.21 -1.25 -4.90 119.66 115.37 1sdx s GLN 489 Ca -0.12 -0.34 -0.14 0.00 0.02 0.00 0.00 55.36 54.77 1sdx s GLN 489 Cb 0.06 0.27 0.00 0.00 1.00 0.00 0.00 33.01 34.34 1sdx s GLN 489 CO 0.84 -0.17 0.54 -1.12 -2.12 0.00 0.00 175.29 173.26 1sdx s SER 490 N -1.52 -0.06 -0.25 5.90 0.01 -0.07 -1.62 113.70 116.10 1sdx s SER 490 Ca -0.12 -0.91 0.01 0.00 1.31 0.00 0.00 55.95 56.23 1sdx s SER 490 Cb -0.05 0.63 0.07 0.00 0.21 0.00 0.00 66.02 66.88 1sdx s SER 490 CO 0.02 -1.21 -0.03 0.00 0.41 0.00 0.00 173.24 172.43 1sdx s ALA 492 N 1.38 1.84 0.09 0.00 0.00 0.31 -1.48 121.76 123.90 1sdx s ALA 492 Ca -0.03 -2.50 -0.36 0.00 0.00 0.00 0.00 51.96 49.07 1sdx s ALA 492 Cb -0.19 -1.78 -0.18 0.00 0.00 0.00 0.00 23.12 20.98 1sdx s ALA 492 CO -0.08 -2.06 1.15 -2.30 0.00 0.00 0.00 175.76 172.47 1sdx n PRO 493 N 3.35 0.69 0.00 0.00 -0.02 -1.26 -2.34 135.00 135.41 1sdx n PRO 493 Ca 0.16 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 1sdx n PRO 493 Cb 0.38 -1.76 0.00 0.00 -0.02 0.00 0.00 33.50 32.10 1sdx n PRO 493 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sdx n GLY 494 N 2.03 1.15 3.97 -1.23 0.00 -0.45 -0.57 105.19 110.09 1sdx n GLY 494 Ca 0.18 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.96 1sdx n GLY 494 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sdx s ALA 495 N -2.18 3.48 0.01 4.61 0.00 -0.99 -4.94 121.76 121.76 1sdx s ALA 495 Ca 0.00 -1.48 -0.30 0.00 0.00 0.00 0.00 51.96 50.18 1sdx s ALA 495 Cb 0.00 -2.20 -0.08 0.00 0.00 0.00 0.00 23.12 20.85 1sdx s ALA 495 CO 0.00 -1.44 1.87 0.34 0.00 0.00 0.00 175.76 176.54 1sdx s ASP 496 N -4.67 6.51 0.59 0.00 2.15 -1.26 -4.88 116.67 115.11 1sdx s ASP 496 Ca 0.65 2.55 0.29 0.00 0.43 0.00 0.00 52.55 56.47 1sdx s ASP 496 Cb -0.07 -2.53 1.53 0.00 -0.30 0.00 0.00 42.92 41.56 1sdx s ASP 496 CO 0.44 -1.01 1.96 -0.65 -0.17 0.00 0.00 175.17 175.74 1sdx h PRO 497 N 10.21 0.00 -0.01 4.34 0.11 -1.94 -0.55 132.00 144.16 1sdx h PRO 497 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1sdx h PRO 497 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1sdx h PRO 497 CO 0.94 0.00 -0.28 1.63 -0.21 0.00 0.00 178.00 180.08 1sdx n LYS 498 N -3.71 0.67 -2.52 1.05 5.02 -1.26 -4.71 118.16 112.70 1sdx n LYS 498 Ca 0.06 -0.38 -0.25 0.00 -2.02 0.00 0.00 58.31 55.72 1sdx n LYS 498 Cb 0.55 -1.49 0.03 0.00 -0.02 0.00 0.00 35.03 34.10 1sdx n LYS 498 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1sdx s SER 499 N -2.59 5.49 0.24 4.39 1.04 -0.22 -4.97 113.70 117.09 1sdx s SER 499 Ca 0.22 0.50 0.21 0.00 0.48 0.00 0.00 55.95 57.37 1sdx s SER 499 Cb 0.19 -1.48 0.96 0.00 0.10 0.00 0.00 66.02 65.79 1sdx s SER 499 CO 0.55 -1.08 1.65 -2.11 0.98 0.00 0.00 173.24 173.23 1sdx n ARG 500 N -2.50 0.16 0.09 4.02 1.85 -1.26 -1.71 116.66 117.31 1sdx n ARG 500 Ca 0.05 0.47 0.11 0.00 -1.00 0.00 0.00 57.85 57.48 1sdx n ARG 500 Cb 0.58 -1.85 0.45 0.00 -1.05 0.00 0.00 32.46 30.59 1sdx n ARG 500 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1sdx n LEU 501 N -2.16 0.52 -0.09 2.89 4.77 -1.26 -0.89 117.00 120.78 1sdx n LEU 501 Ca 0.01 0.60 0.01 0.00 -0.03 0.00 0.00 56.01 56.60 1sdx n LEU 501 Cb 0.17 -0.49 0.01 0.00 -2.33 0.00 0.00 43.42 40.77 1sdx n LEU 501 CO 0.16 -0.37 0.26 0.00 -1.33 0.00 0.00 177.39 176.11 1sdx h ALA 503 N 0.46 1.99 0.00 0.00 0.00 -1.21 -1.66 119.26 118.84 1sdx h ALA 503 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1sdx h ALA 503 Cb 0.10 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1sdx h ALA 503 CO 0.00 -0.30 -0.57 1.28 0.00 0.00 0.00 179.25 179.66 1sdx n LEU 504 N -4.59 0.56 -4.76 0.00 4.32 -0.15 -4.93 117.00 107.44 1sdx n LEU 504 Ca 0.20 0.07 -0.34 0.00 -0.02 0.00 0.00 56.01 55.92 1sdx n LEU 504 Cb 0.63 -0.22 0.03 0.00 -1.62 0.00 0.00 43.42 42.24 1sdx n LEU 504 CO 0.28 0.07 0.78 0.00 -1.22 0.00 0.00 177.39 177.29 1sdx n ALA 506 N -1.91 2.48 -0.31 0.00 0.00 -1.26 -4.81 120.51 114.70 1sdx n ALA 506 Ca 0.12 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1sdx n ALA 506 Cb 0.51 -0.13 0.00 0.00 0.00 0.00 0.00 19.45 19.83 1sdx n ALA 506 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sdx n GLY 507 N 0.70 -0.99 0.00 0.00 0.00 -1.26 -4.51 105.19 99.13 1sdx n GLY 507 Ca 0.01 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.84 1sdx n GLY 507 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1sdx n ASP 508 N -0.75 0.00 -0.35 1.61 5.68 0.27 -1.94 116.55 121.07 1sdx n ASP 508 Ca 0.00 -0.57 0.25 0.00 -0.50 0.00 0.00 54.79 53.97 1sdx n ASP 508 Cb 0.00 0.00 0.50 0.00 -1.14 0.00 0.00 41.12 40.48 1sdx n ASP 508 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1sdx h ASP 509 N 0.00 0.48 -0.22 -1.12 3.32 -1.89 -0.38 116.42 116.62 1sdx h ASP 509 Ca 0.00 0.17 0.00 0.00 0.02 0.00 0.00 57.03 57.22 1sdx h ASP 509 Cb 0.00 0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.66 1sdx h ASP 509 CO 0.00 -0.10 0.00 0.00 -1.72 0.00 0.00 179.24 177.42 1sdx n GLN 510 N -4.94 2.33 -0.56 3.56 6.02 -1.26 -4.94 117.38 117.59 1sdx n GLN 510 Ca 0.32 -2.08 0.00 0.00 -0.01 0.00 0.00 57.00 55.23 1sdx n GLN 510 Cb 1.02 -1.47 0.00 0.00 1.02 0.00 0.00 30.24 30.81 1sdx n GLN 510 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1sdx n GLY 511 N 1.37 0.74 3.93 1.08 0.00 -0.15 -5.06 105.19 107.11 1sdx n GLY 511 Ca 0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.93 1sdx n GLY 511 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sdx s LEU 512 N 0.00 3.53 -1.62 0.99 1.43 -1.26 -4.37 118.68 117.38 1sdx s LEU 512 Ca 0.00 0.52 -0.00 0.00 -1.03 0.00 0.00 54.13 53.62 1sdx s LEU 512 Cb 0.00 -3.39 0.00 0.00 0.03 0.00 0.00 46.19 42.83 1sdx s LEU 512 CO 0.00 -0.78 0.05 0.47 0.23 0.00 0.00 176.35 176.32 1sdx n ASP 513 N -2.25 -5.54 -4.67 2.29 8.00 -1.26 -0.56 116.55 112.56 1sdx n ASP 513 Ca 0.02 -0.04 -0.47 0.00 0.71 0.00 0.00 54.79 55.01 1sdx n ASP 513 Cb 0.57 -4.57 -0.04 0.00 -0.02 0.00 0.00 41.12 37.06 1sdx n ASP 513 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1sdx n LYS 514 N -2.92 2.08 -1.01 -1.24 4.81 -1.26 -1.66 118.16 116.95 1sdx n LYS 514 Ca -0.22 0.75 -0.00 0.00 -0.87 0.00 0.00 58.31 57.97 1sdx n LYS 514 Cb 0.67 -2.52 -0.00 0.00 0.02 0.00 0.00 35.03 33.19 1sdx n LYS 514 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1sdx s VAL 516 N -1.53 3.21 -1.35 0.00 -7.23 -0.67 -1.33 120.40 111.50 1sdx s VAL 516 Ca 0.00 1.10 -0.09 0.00 -1.81 0.00 0.00 61.98 61.18 1sdx s VAL 516 Cb 0.00 -3.65 -0.07 0.00 0.56 0.00 0.00 36.38 33.21 1sdx s VAL 516 CO 0.00 0.17 2.95 -0.81 -0.31 0.00 0.00 175.10 177.10 1sdx n PRO 517 N 0.51 3.61 -3.98 4.82 -0.04 -1.26 -4.41 135.00 134.24 1sdx n PRO 517 Ca 0.02 -2.27 -0.09 0.00 -0.04 0.00 0.00 63.50 61.12 1sdx n PRO 517 Cb 0.45 -2.66 -0.05 0.00 -0.04 0.00 0.00 33.50 31.21 1sdx n PRO 517 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1sdx s ASN 518 N 1.80 -0.06 0.00 3.54 2.20 -1.26 -4.52 114.94 116.64 1sdx s ASN 518 Ca 0.67 -0.93 0.04 0.00 -0.94 0.00 0.00 52.86 51.70 1sdx s ASN 518 Cb 0.20 0.61 0.25 0.00 -2.00 0.00 0.00 41.25 40.32 1sdx s ASN 518 CO -0.06 -1.19 0.80 -1.54 -2.94 0.00 0.00 177.10 172.17 1sdx n SER 519 N -0.47 0.00 0.13 3.54 3.41 -1.26 -1.93 113.62 117.03 1sdx n SER 519 Ca -0.02 -0.04 -0.02 0.00 -0.26 0.00 0.00 58.87 58.53 1sdx n SER 519 Cb 0.61 -0.08 0.14 0.00 -0.26 0.00 0.00 64.21 64.63 1sdx n SER 519 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1sdx h LYS 520 N 0.00 0.01 -6.29 4.33 1.57 -1.94 -3.41 116.57 110.83 1sdx h LYS 520 Ca 0.00 -0.01 -0.55 0.00 -1.87 0.00 0.00 60.65 58.22 1sdx h LYS 520 Cb 0.01 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 1sdx h LYS 520 CO 0.00 0.66 0.82 -2.00 -0.57 0.00 0.00 179.45 178.36 1sdx s GLU 521 N -3.55 4.29 0.28 3.15 2.56 -0.81 -3.33 118.70 121.29 1sdx s GLU 521 Ca -0.01 1.81 0.01 0.00 0.00 0.00 0.00 54.97 56.78 1sdx s GLU 521 Cb 0.12 -3.64 0.59 0.00 2.00 0.00 0.00 34.13 33.20 1sdx s GLU 521 CO 0.77 -0.58 1.79 -0.22 -0.56 0.00 0.00 175.26 176.46 1sdx h LYS 522 N 7.90 0.77 -0.95 4.30 3.64 -1.63 -2.53 116.57 128.07 1sdx h LYS 522 Ca -0.34 -0.05 -0.46 0.00 -1.27 0.00 0.00 60.65 58.53 1sdx h LYS 522 Cb 1.16 -0.17 -0.28 0.00 -0.41 0.00 0.00 32.23 32.53 1sdx h LYS 522 CO 0.91 0.51 0.58 0.66 -2.27 0.00 0.00 179.45 179.84 1sdx n TYR 523 N -4.75 2.94 -3.01 1.91 4.01 -1.26 -4.49 117.16 112.51 1sdx n TYR 523 Ca 0.19 -1.74 -0.34 0.00 -0.16 0.00 0.00 57.90 55.85 1sdx n TYR 523 Cb 0.44 -0.90 -0.06 0.00 -0.31 0.00 0.00 39.34 38.50 1sdx n TYR 523 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 1sdx s TYR 524 N -3.25 3.49 0.07 -0.72 5.04 -0.96 -2.98 117.35 118.04 1sdx s TYR 524 Ca 0.57 1.44 0.00 0.00 -2.44 0.00 0.00 57.07 56.63 1sdx s TYR 524 Cb 0.47 -2.68 0.00 0.00 0.35 0.00 0.00 41.96 40.10 1sdx s TYR 524 CO 0.11 0.14 0.00 0.41 -1.34 0.00 0.00 175.55 174.87 1sdx n GLY 525 N 0.04 -1.86 0.14 8.97 0.00 -0.43 -1.83 105.19 110.22 1sdx n GLY 525 Ca 0.02 -1.31 -0.09 0.00 0.00 0.00 0.00 46.02 44.64 1sdx n GLY 525 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1sdx h TYR 526 N -0.27 -0.21 -0.48 1.61 0.05 -1.93 0.35 116.97 116.10 1sdx h TYR 526 Ca 0.01 0.02 -0.07 0.00 0.05 0.00 0.00 58.73 58.74 1sdx h TYR 526 Cb 0.26 0.11 -0.02 0.00 1.01 0.00 0.00 36.73 38.10 1sdx h TYR 526 CO 0.00 -0.13 0.03 1.15 -1.05 0.00 0.00 178.16 178.16 1sdx h THR 527 N -0.08 1.26 -0.31 -2.88 2.02 -1.89 -2.29 112.91 108.73 1sdx h THR 527 Ca 0.09 -1.00 -0.03 0.00 0.77 0.00 0.00 66.41 66.24 1sdx h THR 527 Cb 0.21 0.97 -0.01 0.00 -1.74 0.00 0.00 68.15 67.58 1sdx h THR 527 CO -0.20 0.35 0.09 1.23 0.37 0.00 0.00 175.52 177.36 1sdx h GLY 528 N 0.68 0.52 1.18 2.16 0.00 -1.16 -1.31 103.07 105.14 1sdx h GLY 528 Ca 0.14 -0.32 -0.05 0.00 0.00 0.00 0.00 47.33 47.10 1sdx h GLY 528 CO 0.02 0.30 0.23 0.00 0.00 0.00 0.00 176.54 177.08 1sdx h ALA 529 N 0.92 1.11 -0.20 3.60 0.00 -0.82 -0.57 119.26 123.31 1sdx h ALA 529 Ca 0.10 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 1sdx h ALA 529 Cb 0.27 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1sdx h ALA 529 CO -0.00 0.61 -0.33 0.35 0.00 0.00 0.00 179.25 179.89 1sdx h PHE 530 N 1.00 0.46 -0.25 0.00 3.57 -1.28 -2.64 116.94 117.81 1sdx h PHE 530 Ca 0.22 -0.11 -0.09 0.00 3.53 0.00 0.00 57.97 61.52 1sdx h PHE 530 Cb 0.26 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 1sdx h PHE 530 CO 0.02 0.68 -0.24 -0.09 -2.23 0.00 0.00 178.31 176.45 1sdx h ARG 531 N 0.35 0.47 -0.64 1.11 2.43 -0.61 0.47 114.38 117.95 1sdx h ARG 531 Ca 0.04 -0.17 -0.02 0.00 -0.81 0.00 0.00 59.98 59.02 1sdx h ARG 531 Cb 0.74 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.23 1sdx h ARG 531 CO 0.06 0.68 0.32 0.00 -1.51 0.00 0.00 179.97 179.52 1sdx h LEU 533 N 0.90 0.39 -1.15 0.00 5.85 -1.18 -1.03 115.31 119.09 1sdx h LEU 533 Ca 0.22 -0.87 0.12 0.00 0.84 0.00 0.00 57.88 58.20 1sdx h LEU 533 Cb 0.06 -0.12 -0.08 0.00 0.37 0.00 0.00 40.66 40.89 1sdx h LEU 533 CO -0.03 1.22 0.60 0.00 -0.34 0.00 0.00 178.44 179.89 1sdx h ALA 534 N 0.18 1.66 -0.34 1.25 0.00 -0.55 0.21 119.26 121.66 1sdx h ALA 534 Ca -0.09 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1sdx h ALA 534 Cb 1.36 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1sdx h ALA 534 CO 0.11 0.11 0.00 0.39 0.00 0.00 0.00 179.25 179.86 1sdx n GLU 535 N -4.58 1.95 -2.55 0.00 1.02 -0.38 -4.92 120.64 111.18 1sdx n GLU 535 Ca 0.18 -1.30 -0.20 0.00 -0.02 0.00 0.00 57.16 55.82 1sdx n GLU 535 Cb 0.39 -1.35 -0.00 0.00 -0.02 0.00 0.00 31.44 30.46 1sdx n GLU 535 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1sdx n ASP 536 N 0.50 -5.61 0.12 1.62 8.00 0.75 -4.86 116.55 117.08 1sdx n ASP 536 Ca 0.12 -0.05 -0.20 0.00 0.71 0.00 0.00 54.79 55.38 1sdx n ASP 536 Cb 0.35 -4.65 -0.15 0.00 -0.02 0.00 0.00 41.12 36.65 1sdx n ASP 536 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1sdx h VAL 537 N -0.29 1.41 -1.95 2.53 2.07 -1.41 -3.46 116.25 115.14 1sdx h VAL 537 Ca -0.47 -2.91 -0.59 0.00 0.82 0.00 0.00 66.70 63.54 1sdx h VAL 537 Cb 1.34 2.99 -0.12 0.00 -1.52 0.00 0.00 31.29 33.98 1sdx h VAL 537 CO 0.55 0.86 -0.64 -0.83 0.02 0.00 0.00 177.57 177.52 1sdx s GLY 538 N -4.64 2.08 -0.04 2.17 0.00 -0.82 -4.91 107.32 101.16 1sdx s GLY 538 Ca -0.06 -1.98 0.13 0.00 0.00 0.00 0.00 44.72 42.81 1sdx s GLY 538 CO 0.91 -1.94 0.65 1.22 0.00 0.00 0.00 173.10 173.94 1sdx n ASP 539 N -0.89 0.82 -3.91 1.64 8.00 0.37 -4.60 116.55 117.99 1sdx n ASP 539 Ca -0.05 0.39 -0.11 0.00 0.71 0.00 0.00 54.79 55.74 1sdx n ASP 539 Cb 0.62 0.03 -0.12 0.00 -0.02 0.00 0.00 41.12 41.63 1sdx n ASP 539 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1sdx s VAL 540 N -2.63 0.06 -0.04 2.53 0.11 -1.05 -4.40 120.40 114.98 1sdx s VAL 540 Ca -0.05 -0.49 0.05 0.00 -2.93 0.00 0.00 61.98 58.56 1sdx s VAL 540 Cb 0.08 -0.21 -0.01 0.00 -1.53 0.00 0.00 36.38 34.71 1sdx s VAL 540 CO 0.82 -0.27 -0.20 0.00 -3.33 0.00 0.00 175.10 172.13 1sdx s ALA 541 N -0.82 1.72 -0.46 1.54 0.00 -0.44 -0.78 121.76 122.52 1sdx s ALA 541 Ca -0.09 -0.82 -0.10 0.00 0.00 0.00 0.00 51.96 50.95 1sdx s ALA 541 Cb -0.06 -0.53 0.10 0.00 0.00 0.00 0.00 23.12 22.63 1sdx s ALA 541 CO -0.00 0.34 0.33 -0.06 0.00 0.00 0.00 175.76 176.37 1sdx s PHE 542 N -0.11 3.37 0.00 0.00 0.08 -0.49 -1.05 117.98 119.78 1sdx s PHE 542 Ca -0.02 -1.65 0.00 0.00 0.12 0.00 0.00 56.93 55.38 1sdx s PHE 542 Cb -0.11 -3.32 0.00 0.00 -0.57 0.00 0.00 43.02 39.02 1sdx s PHE 542 CO 0.02 -0.93 0.00 1.33 -0.10 0.00 0.00 175.22 175.54 1sdx n VAL 543 N 4.96 0.00 -4.39 -0.44 0.24 -0.94 -3.87 118.33 113.88 1sdx n VAL 543 Ca -0.09 0.00 -0.21 0.00 -2.04 0.00 0.00 64.34 61.99 1sdx n VAL 543 Cb 0.42 0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 32.68 1sdx n VAL 543 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 1sdx s LYS 544 N 1.78 1.46 0.24 7.34 -2.85 -1.26 -0.94 119.74 125.51 1sdx s LYS 544 Ca 0.00 -1.62 -0.07 0.00 -1.00 0.00 0.00 55.97 53.28 1sdx s LYS 544 Cb 0.00 -1.43 0.43 0.00 -2.06 0.00 0.00 37.83 34.77 1sdx s LYS 544 CO 0.00 0.26 1.64 -0.97 0.10 0.00 0.00 175.35 176.39 1sdx h ASN 545 N 2.60 -0.28 -0.44 0.03 -1.24 -1.47 -1.95 115.58 112.83 1sdx h ASN 545 Ca -0.40 0.18 0.02 0.00 0.71 0.00 0.00 56.30 56.81 1sdx h ASN 545 Cb 1.23 0.31 -0.02 0.00 0.73 0.00 0.00 38.32 40.57 1sdx h ASN 545 CO 0.59 -0.15 0.30 0.44 -1.29 0.00 0.00 177.43 177.31 1sdx h ASP 546 N 0.13 0.46 -0.80 1.15 5.19 -1.97 -2.96 116.42 117.62 1sdx h ASP 546 Ca 0.41 -0.01 0.04 0.00 -0.62 0.00 0.00 57.03 56.85 1sdx h ASP 546 Cb 0.71 -0.11 -0.05 0.00 0.18 0.00 0.00 39.33 40.06 1sdx h ASP 546 CO -0.63 0.33 0.50 0.74 -3.12 0.00 0.00 179.24 177.06 1sdx h THR 547 N 0.54 1.09 -0.13 0.35 2.02 -1.76 -2.10 112.91 112.92 1sdx h THR 547 Ca 0.17 -0.33 0.02 0.00 0.77 0.00 0.00 66.41 67.04 1sdx h THR 547 Cb 0.03 0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 66.47 1sdx h THR 547 CO -0.04 0.17 0.00 0.58 0.37 0.00 0.00 175.52 176.60 1sdx h VAL 548 N 0.95 0.91 -0.53 3.16 2.07 -1.63 -2.76 116.25 118.43 1sdx h VAL 548 Ca 0.33 -0.02 -0.05 0.00 0.82 0.00 0.00 66.70 67.79 1sdx h VAL 548 Cb 0.07 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 1sdx h VAL 548 CO -0.13 0.01 0.15 -0.50 0.02 0.00 0.00 177.57 177.11 1sdx h TRP 549 N 0.05 0.86 0.00 1.57 4.06 -1.59 -2.94 115.95 117.97 1sdx h TRP 549 Ca 0.06 -0.09 0.00 0.00 2.06 0.00 0.00 58.89 60.91 1sdx h TRP 549 Cb 0.07 -0.25 0.00 0.00 -1.00 0.00 0.00 29.16 27.98 1sdx h TRP 549 CO -0.14 0.75 0.00 0.39 -3.56 0.00 0.00 178.44 175.88 1sdx n GLU 550 N -4.45 0.18 -0.11 0.49 1.02 -0.81 -3.17 120.64 113.78 1sdx n GLU 550 Ca 0.02 0.42 0.08 0.00 -0.02 0.00 0.00 57.16 57.66 1sdx n GLU 550 Cb 0.21 -1.85 0.14 0.00 -0.02 0.00 0.00 31.44 29.92 1sdx n GLU 550 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1sdx n ASN 551 N -2.19 2.52 -4.25 1.62 3.02 -1.05 -3.79 115.26 111.14 1sdx n ASN 551 Ca 0.02 -2.90 -0.14 0.00 -0.03 0.00 0.00 54.58 51.53 1sdx n ASN 551 Cb 0.22 -0.38 -0.10 0.00 -0.61 0.00 0.00 39.78 38.91 1sdx n ASN 551 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1sdx s THR 552 N -2.57 0.66 -1.48 3.41 -4.23 -1.15 -4.77 115.64 105.51 1sdx s THR 552 Ca 0.29 -1.98 -0.11 0.00 -1.18 0.00 0.00 61.69 58.71 1sdx s THR 552 Cb 0.25 -2.17 0.07 0.00 1.34 0.00 0.00 72.50 71.98 1sdx s THR 552 CO 0.04 -0.43 0.92 0.59 -0.54 0.00 0.00 174.62 175.20 1sdx n ASN 553 N -0.26 -4.03 0.00 3.99 4.13 0.15 -2.35 115.26 116.90 1sdx n ASN 553 Ca -0.06 -0.79 0.00 0.00 1.68 0.00 0.00 54.58 55.42 1sdx n ASN 553 Cb 0.63 -3.93 0.00 0.00 -1.54 0.00 0.00 39.78 34.94 1sdx n ASN 553 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1sdx n GLY 554 N -1.68 0.62 0.07 7.41 0.00 -1.26 -4.93 105.19 105.41 1sdx n GLY 554 Ca -0.03 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.10 1sdx n GLY 554 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1sdx n GLU 555 N -2.40 0.14 -0.01 1.61 -0.58 -0.99 -4.25 120.64 114.15 1sdx n GLU 555 Ca 0.00 0.25 0.01 0.00 -0.42 0.00 0.00 57.16 57.00 1sdx n GLU 555 Cb 0.03 -1.71 -0.03 0.00 -0.57 0.00 0.00 31.44 29.16 1sdx n GLU 555 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1sdx n SER 556 N -1.96 3.98 0.00 1.62 2.88 -1.25 -4.87 113.62 114.02 1sdx n SER 556 Ca 0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 1sdx n SER 556 Cb 0.30 1.06 0.00 0.00 -0.75 0.00 0.00 64.21 64.82 1sdx n SER 556 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1sdx n THR 557 N -1.77 0.00 -2.09 2.46 -2.24 -1.26 -4.90 114.28 104.48 1sdx n THR 557 Ca -0.02 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.35 1sdx n THR 557 Cb 0.24 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.45 1sdx n THR 557 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sdx s ALA 558 N -0.89 3.51 0.19 6.98 0.00 -1.26 -4.72 121.76 125.57 1sdx s ALA 558 Ca 0.00 1.28 -0.20 0.00 0.00 0.00 0.00 51.96 53.05 1sdx s ALA 558 Cb 0.00 -3.49 0.13 0.00 0.00 0.00 0.00 23.12 19.76 1sdx s ALA 558 CO 0.00 -0.67 1.42 -0.40 0.00 0.00 0.00 175.76 176.10 1sdx n ASP 559 N 0.90 -0.71 0.25 0.00 5.75 -1.26 -0.48 116.55 121.01 1sdx n ASP 559 Ca 0.01 1.61 0.16 0.00 -0.01 0.00 0.00 54.79 56.55 1sdx n ASP 559 Cb 0.42 -0.32 0.60 0.00 -1.03 0.00 0.00 41.12 40.78 1sdx n ASP 559 CO 0.00 0.00 0.00 4.11 -0.11 0.00 0.00 177.20 181.20 1sdx h TRP 560 N 0.00 0.00 0.00 2.11 5.08 -2.01 -3.28 115.95 117.85 1sdx h TRP 560 Ca 0.27 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.24 1sdx h TRP 560 Cb 0.50 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.66 1sdx h TRP 560 CO -0.84 0.00 -0.97 0.00 -1.28 0.00 0.00 178.44 175.35 1sdx n ALA 561 N -2.05 3.68 -0.29 0.11 0.00 0.26 -4.69 120.51 117.54 1sdx n ALA 561 Ca 0.01 -0.42 0.10 0.00 0.00 0.00 0.00 53.44 53.13 1sdx n ALA 561 Cb 0.33 -0.56 0.23 0.00 0.00 0.00 0.00 19.45 19.45 1sdx n ALA 561 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1sdx h LYS 562 N 0.00 0.11 -0.66 0.00 1.57 -0.84 -2.35 116.57 114.41 1sdx h LYS 562 Ca 0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1sdx h LYS 562 Cb 0.45 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.74 1sdx h LYS 562 CO 0.00 0.08 0.00 0.09 -0.57 0.00 0.00 179.45 179.05 1sdx n ASN 563 N -5.34 4.40 -4.73 0.86 3.02 -1.26 -4.32 115.26 107.90 1sdx n ASN 563 Ca 0.18 -2.37 -0.41 0.00 -0.03 0.00 0.00 54.58 51.96 1sdx n ASN 563 Cb 0.61 -0.55 -0.04 0.00 -0.61 0.00 0.00 39.78 39.18 1sdx n ASN 563 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1sdx s LEU 564 N -1.66 4.44 -0.04 3.41 1.43 -0.88 -4.97 118.68 120.41 1sdx s LEU 564 Ca 0.48 1.65 0.05 0.00 -1.03 0.00 0.00 54.13 55.28 1sdx s LEU 564 Cb 0.30 -3.48 -0.02 0.00 0.03 0.00 0.00 46.19 43.02 1sdx s LEU 564 CO 0.24 -0.10 -0.19 -0.75 0.23 0.00 0.00 176.35 175.78 1sdx s LYS 565 N 0.30 2.42 0.56 1.70 2.36 -1.26 0.35 119.74 126.17 1sdx s LYS 565 Ca 0.46 -0.79 0.32 0.00 -2.55 0.00 0.00 55.97 53.40 1sdx s LYS 565 Cb -0.22 -2.26 1.68 0.00 -1.05 0.00 0.00 37.83 35.99 1sdx s LYS 565 CO 0.27 0.56 2.15 0.00 1.55 0.00 0.00 175.35 179.87 1sdx h ARG 566 N 5.53 0.00 0.00 4.03 3.08 -1.93 -2.01 114.38 123.08 1sdx h ARG 566 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.62 1sdx h ARG 566 Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.20 1sdx h ARG 566 CO 0.49 0.07 0.00 1.49 -1.07 0.00 0.00 179.97 180.95 1sdx h GLU 567 N 0.00 0.00 -0.04 0.04 4.22 -2.03 -2.17 114.58 114.61 1sdx h GLU 567 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1sdx h GLU 567 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1sdx h GLU 567 CO 0.01 0.00 0.00 -0.25 -2.18 0.00 0.00 179.01 176.59 1sdx n ASP 568 N -2.57 0.59 -4.41 1.04 8.00 -0.75 -4.82 116.55 113.62 1sdx n ASP 568 Ca 0.01 -1.39 -0.24 0.00 0.71 0.00 0.00 54.79 53.89 1sdx n ASP 568 Cb 0.24 -0.02 -0.11 0.00 -0.02 0.00 0.00 41.12 41.21 1sdx n ASP 568 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1sdx s PHE 569 N -1.95 2.13 0.01 1.24 0.08 -0.82 -0.14 117.98 118.54 1sdx s PHE 569 Ca 0.36 -0.40 -0.01 0.00 0.12 0.00 0.00 56.93 56.99 1sdx s PHE 569 Cb 0.17 -1.00 -0.01 0.00 -0.57 0.00 0.00 43.02 41.61 1sdx s PHE 569 CO 0.28 0.52 0.01 1.03 -0.10 0.00 0.00 175.22 176.96 1sdx s ARG 570 N -3.09 0.33 -0.05 0.44 1.81 -0.28 -4.38 118.95 113.73 1sdx s ARG 570 Ca 0.23 -0.53 -0.07 0.00 -1.72 0.00 0.00 55.73 53.64 1sdx s ARG 570 Cb -0.06 0.12 -0.04 0.00 -0.45 0.00 0.00 34.95 34.52 1sdx s ARG 570 CO 0.11 -0.06 0.21 -0.51 -0.68 0.00 0.00 175.30 174.37 1sdx s LEU 571 N -1.36 4.39 -0.27 2.53 1.43 0.48 -1.14 118.68 124.73 1sdx s LEU 571 Ca -0.15 0.53 -0.16 0.00 -1.03 0.00 0.00 54.13 53.32 1sdx s LEU 571 Cb -0.09 -2.40 -0.03 0.00 0.03 0.00 0.00 46.19 43.70 1sdx s LEU 571 CO -0.00 0.33 0.40 -0.76 0.23 0.00 0.00 176.35 176.55 1sdx s LEU 572 N -1.41 4.06 0.19 1.79 1.43 -0.21 -1.91 118.68 122.63 1sdx s LEU 572 Ca 0.22 0.30 -0.05 0.00 -1.03 0.00 0.00 54.13 53.57 1sdx s LEU 572 Cb -0.13 -2.47 -0.06 0.00 0.03 0.00 0.00 46.19 43.57 1sdx s LEU 572 CO 0.11 -0.22 0.44 0.00 0.23 0.00 0.00 176.35 176.91 1sdx h LEU 574 N 2.45 0.00 -2.13 0.00 3.38 -1.86 -2.48 115.31 114.66 1sdx h LEU 574 Ca -0.47 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.48 1sdx h LEU 574 Cb 1.17 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 1sdx h LEU 574 CO 0.70 0.00 0.03 -0.90 0.09 0.00 0.00 178.44 178.36 1sdx n ASP 575 N -3.10 2.97 0.00 -0.43 5.75 -1.26 -4.84 116.55 115.64 1sdx n ASP 575 Ca -0.03 -2.41 0.00 0.00 -0.01 0.00 0.00 54.79 52.34 1sdx n ASP 575 Cb 0.10 -0.58 0.00 0.00 -1.03 0.00 0.00 41.12 39.60 1sdx n ASP 575 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1sdx n GLY 576 N 0.20 0.73 3.99 6.12 0.00 -0.94 -5.04 105.19 110.25 1sdx n GLY 576 Ca 0.13 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.96 1sdx n GLY 576 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1sdx s THR 577 N -2.88 2.75 -0.02 2.61 -1.32 -1.24 -4.65 115.64 110.90 1sdx s THR 577 Ca 0.00 -1.08 0.07 0.00 -1.21 0.00 0.00 61.69 59.47 1sdx s THR 577 Cb 0.00 -2.82 -0.02 0.00 -1.51 0.00 0.00 72.50 68.15 1sdx s THR 577 CO 0.00 0.00 -0.22 -0.13 -2.21 0.00 0.00 174.62 172.06 1sdx s ARG 578 N -4.36 1.77 0.06 7.08 0.52 -1.26 -1.17 118.95 121.59 1sdx s ARG 578 Ca 0.54 -0.78 -0.06 0.00 -0.52 0.00 0.00 55.73 54.92 1sdx s ARG 578 Cb -0.08 -1.71 -0.01 0.00 0.52 0.00 0.00 34.95 33.67 1sdx s ARG 578 CO 0.33 0.46 0.11 0.15 0.02 0.00 0.00 175.30 176.37 1sdx s LYS 579 N -0.50 0.71 0.70 3.54 1.02 -0.80 -4.96 119.74 119.45 1sdx s LYS 579 Ca 0.08 -0.97 -0.15 0.00 0.02 0.00 0.00 55.97 54.95 1sdx s LYS 579 Cb -0.08 0.28 0.02 0.00 -0.52 0.00 0.00 37.83 37.52 1sdx s LYS 579 CO -0.01 -0.19 1.17 -2.14 -0.92 0.00 0.00 175.35 173.26 1sdx s PRO 580 N -3.53 2.43 0.00 -1.68 0.02 -1.26 -0.39 135.00 130.59 1sdx s PRO 580 Ca 0.03 1.63 0.09 0.00 0.02 0.00 0.00 61.00 62.76 1sdx s PRO 580 Cb 0.04 -1.88 0.51 0.00 0.02 0.00 0.00 34.50 33.18 1sdx s PRO 580 CO -0.09 -1.59 1.06 1.33 -0.33 0.00 0.00 177.00 177.38 1sdx n VAL 581 N -2.54 0.32 0.74 3.83 0.24 -1.26 -1.52 118.33 118.14 1sdx n VAL 581 Ca 0.12 0.08 0.13 0.00 -2.04 0.00 0.00 64.34 62.63 1sdx n VAL 581 Cb 0.51 -0.94 0.38 0.00 -1.47 0.00 0.00 33.84 32.33 1sdx n VAL 581 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1sdx n THR 582 N -1.11 0.34 -1.34 3.34 -2.24 -1.26 -3.88 114.28 108.13 1sdx n THR 582 Ca 0.06 -0.19 -0.21 0.00 -2.27 0.00 0.00 64.05 61.44 1sdx n THR 582 Cb 0.05 -0.37 0.16 0.00 -2.10 0.00 0.00 70.33 68.06 1sdx n THR 582 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1sdx n GLU 583 N -1.97 2.28 -0.17 -0.78 4.71 -0.58 -4.71 120.64 119.42 1sdx n GLU 583 Ca 0.05 -3.15 0.09 0.00 -0.01 0.00 0.00 57.16 54.15 1sdx n GLU 583 Cb 0.40 -2.12 0.41 0.00 -1.01 0.00 0.00 31.44 29.12 1sdx n GLU 583 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1sdx h ALA 584 N 1.22 1.83 0.00 0.62 0.00 -1.78 -0.69 119.26 120.47 1sdx h ALA 584 Ca 0.53 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.43 1sdx h ALA 584 Cb 2.19 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.83 1sdx h ALA 584 CO 1.01 0.02 0.00 0.94 0.00 0.00 0.00 179.25 181.22 1sdx n GLN 585 N -4.49 0.16 -0.03 0.00 -0.06 -1.26 -2.27 117.38 109.43 1sdx n GLN 585 Ca 0.12 0.44 0.01 0.00 -2.00 0.00 0.00 57.00 55.57 1sdx n GLN 585 Cb 0.32 -1.84 0.03 0.00 -4.06 0.00 0.00 30.24 24.69 1sdx n GLN 585 CO 0.00 0.00 0.00 -1.13 -0.20 0.00 0.00 177.06 175.73 1sdx n SER 586 N -2.15 2.03 -2.92 1.69 3.41 -0.33 -4.80 113.62 110.55 1sdx n SER 586 Ca 0.02 -1.86 -0.14 0.00 -0.26 0.00 0.00 58.87 56.63 1sdx n SER 586 Cb 0.19 -0.04 0.02 0.00 -0.26 0.00 0.00 64.21 64.12 1sdx n SER 586 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sdx s HIS 588 N -0.47 1.78 0.03 0.00 -0.00 -1.21 -4.73 115.29 110.68 1sdx s HIS 588 Ca 0.31 -0.69 0.10 0.00 -0.00 0.00 0.00 55.06 54.78 1sdx s HIS 588 Cb 0.26 -0.95 -0.19 0.00 -0.00 0.00 0.00 32.58 31.70 1sdx s HIS 588 CO -0.12 0.25 1.07 -0.07 -0.00 0.00 0.00 174.74 175.86 1sdx h LEU 589 N 2.43 0.00 0.00 5.38 3.38 -0.80 -3.44 115.31 122.26 1sdx h LEU 589 Ca -0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.58 1sdx h LEU 589 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 1sdx h LEU 589 CO 0.65 0.94 0.00 0.00 0.09 0.00 0.00 178.44 180.12 1sdx n ALA 590 N -2.41 0.00 -2.81 1.53 0.00 -1.23 -5.01 120.51 110.59 1sdx n ALA 590 Ca -0.06 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.03 1sdx n ALA 590 Cb 0.96 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 20.31 1sdx n ALA 590 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1sdx s VAL 591 N -2.00 4.86 0.06 0.00 0.11 -1.26 -0.96 120.40 121.21 1sdx s VAL 591 Ca 0.00 -0.01 0.03 0.00 -2.93 0.00 0.00 61.98 59.06 1sdx s VAL 591 Cb 0.00 -3.16 -0.04 0.00 -1.53 0.00 0.00 36.38 31.65 1sdx s VAL 591 CO 0.00 0.50 0.05 0.00 -3.33 0.00 0.00 175.10 172.32 1sdx s ALA 592 N 0.01 3.45 0.26 1.54 0.00 0.23 -4.90 121.76 122.35 1sdx s ALA 592 Ca 0.06 -1.01 -0.30 0.00 0.00 0.00 0.00 51.96 50.72 1sdx s ALA 592 Cb -0.12 -1.38 -0.10 0.00 0.00 0.00 0.00 23.12 21.52 1sdx s ALA 592 CO 0.01 0.71 1.35 -2.14 0.00 0.00 0.00 175.76 175.69 1sdx s PRO 593 N -2.12 4.34 0.82 0.00 0.02 -1.26 -1.10 135.00 135.70 1sdx s PRO 593 Ca 0.26 2.18 -0.13 0.00 0.02 0.00 0.00 61.00 63.33 1sdx s PRO 593 Cb -0.12 -3.13 0.07 0.00 0.02 0.00 0.00 34.50 31.35 1sdx s PRO 593 CO 0.18 -0.28 1.08 0.09 -0.33 0.00 0.00 177.00 177.73 1sdx n ASN 594 N 1.98 0.55 -4.75 2.53 3.02 -1.26 -4.49 115.26 112.84 1sdx n ASN 594 Ca 0.04 0.56 -0.35 0.00 -0.03 0.00 0.00 54.58 54.80 1sdx n ASN 594 Cb 0.42 -1.46 0.05 0.00 -0.61 0.00 0.00 39.78 38.18 1sdx n ASN 594 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1sdx s HIS 595 N -2.16 2.31 0.07 3.10 3.76 -1.26 -4.65 115.29 116.46 1sdx s HIS 595 Ca 0.71 1.53 -0.09 0.00 -0.15 0.00 0.00 55.06 57.06 1sdx s HIS 595 Cb -0.29 -3.47 0.00 0.00 1.11 0.00 0.00 32.58 29.93 1sdx s HIS 595 CO 0.53 -2.31 0.19 0.00 -0.85 0.00 0.00 174.74 172.30 1sdx s ALA 596 N -1.73 -0.29 0.08 -1.40 0.00 -0.28 -1.63 121.76 116.51 1sdx s ALA 596 Ca 0.76 -0.47 -0.27 0.00 0.00 0.00 0.00 51.96 51.98 1sdx s ALA 596 Cb -0.30 0.40 -0.06 0.00 0.00 0.00 0.00 23.12 23.16 1sdx s ALA 596 CO 0.37 -0.45 0.86 0.08 0.00 0.00 0.00 175.76 176.63 1sdx s VAL 597 N -3.31 4.62 0.21 0.00 1.01 0.06 0.29 120.40 123.28 1sdx s VAL 597 Ca 0.01 1.85 0.08 0.00 0.00 0.00 0.00 61.98 63.92 1sdx s VAL 597 Cb 0.02 -4.22 -0.05 0.00 0.00 0.00 0.00 36.38 32.14 1sdx s VAL 597 CO -0.08 0.34 -0.15 0.68 0.00 0.00 0.00 175.10 175.89 1sdx s VAL 598 N -0.02 1.83 0.23 2.92 -7.23 -0.63 -0.17 120.40 117.33 1sdx s VAL 598 Ca 0.43 -2.20 -0.23 0.00 -1.81 0.00 0.00 61.98 58.17 1sdx s VAL 598 Cb -0.22 -2.05 0.04 0.00 0.56 0.00 0.00 36.38 34.71 1sdx s VAL 598 CO 0.26 -0.54 0.81 -0.94 -0.31 0.00 0.00 175.10 174.38 1sdx s SER 599 N -3.27 -0.23 0.37 4.85 1.04 -0.79 -3.19 113.70 112.47 1sdx s SER 599 Ca 0.23 -0.52 -0.27 0.00 0.48 0.00 0.00 55.95 55.86 1sdx s SER 599 Cb -0.02 0.63 -0.10 0.00 0.10 0.00 0.00 66.02 66.64 1sdx s SER 599 CO 0.08 -1.17 1.34 -0.13 0.98 0.00 0.00 173.24 174.34 1sdx s ARG 600 N -3.67 4.15 0.37 4.02 0.52 -1.26 -0.95 118.95 122.14 1sdx s ARG 600 Ca 0.11 2.25 0.10 0.00 -0.52 0.00 0.00 55.73 57.68 1sdx s ARG 600 Cb -0.04 -2.92 0.86 0.00 0.52 0.00 0.00 34.95 33.37 1sdx s ARG 600 CO 0.05 -0.38 1.90 0.66 0.02 0.00 0.00 175.30 177.55 1sdx h SER 601 N 3.02 0.59 0.35 0.23 4.64 -1.92 0.18 113.55 120.64 1sdx h SER 601 Ca -0.50 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1sdx h SER 601 Cb 1.24 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1sdx h SER 601 CO 0.64 0.32 0.00 -0.90 -0.87 0.00 0.00 176.83 176.02 1sdx n ASP 602 N -4.52 0.00 -0.07 4.97 5.75 -1.26 -2.55 116.55 118.87 1sdx n ASP 602 Ca 0.15 0.37 0.02 0.00 -0.01 0.00 0.00 54.79 55.32 1sdx n ASP 602 Cb 0.44 -0.43 -0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1sdx n ASP 602 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1sdx n ARG 603 N -1.43 2.93 -0.09 0.11 5.12 0.57 -4.83 116.66 119.06 1sdx n ARG 603 Ca 0.04 -0.34 -0.06 0.00 -1.93 0.00 0.00 57.85 55.56 1sdx n ARG 603 Cb 0.13 -0.85 -0.00 0.00 -1.16 0.00 0.00 32.46 30.57 1sdx n ARG 603 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1sdx h ALA 604 N 0.60 0.11 -0.95 7.54 0.00 -1.06 -1.38 119.26 124.12 1sdx h ALA 604 Ca 0.00 0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.06 1sdx h ALA 604 Cb 0.12 0.37 -0.05 0.00 0.00 0.00 0.00 17.79 18.22 1sdx h ALA 604 CO 0.00 -0.54 0.62 0.00 0.00 0.00 0.00 179.25 179.33 1sdx h ALA 605 N 1.16 1.24 -0.11 0.00 0.00 -1.88 0.32 119.26 119.98 1sdx h ALA 605 Ca 0.16 -0.05 -0.20 0.00 0.00 0.00 0.00 54.91 54.83 1sdx h ALA 605 Cb 0.35 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1sdx h ALA 605 CO -0.39 0.51 -0.75 1.25 0.00 0.00 0.00 179.25 179.88 1sdx h HIS 606 N 1.21 0.78 -0.45 0.00 6.17 -1.83 -2.49 115.15 118.54 1sdx h HIS 606 Ca 0.37 -0.35 -0.09 0.00 0.71 0.00 0.00 60.37 61.01 1sdx h HIS 606 Cb -0.03 -0.12 -0.01 0.00 2.52 0.00 0.00 27.41 29.77 1sdx h HIS 606 CO -0.01 1.14 -0.08 0.28 0.71 0.00 0.00 177.93 179.97 1sdx h VAL 607 N 0.40 1.27 -0.24 5.26 2.07 -0.90 -2.76 116.25 121.34 1sdx h VAL 607 Ca -0.04 -1.18 0.03 0.00 0.82 0.00 0.00 66.70 66.32 1sdx h VAL 607 Cb 1.35 1.12 -0.03 0.00 -1.52 0.00 0.00 31.29 32.22 1sdx h VAL 607 CO 0.14 0.41 0.08 -0.08 0.02 0.00 0.00 177.57 178.13 1sdx h GLU 608 N 0.68 0.18 -0.02 1.57 4.81 -0.90 -1.66 114.58 119.23 1sdx h GLU 608 Ca 0.12 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.36 1sdx h GLU 608 Cb 0.62 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.93 1sdx h GLU 608 CO 0.04 0.12 -0.12 0.37 -0.73 0.00 0.00 179.01 178.69 1sdx h GLN 609 N 0.19 -0.19 -0.06 1.92 4.15 -1.38 -2.17 115.11 117.58 1sdx h GLN 609 Ca 0.11 0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.54 1sdx h GLN 609 Cb 0.08 0.04 -0.00 0.00 0.21 0.00 0.00 27.48 27.81 1sdx h GLN 609 CO -0.12 -0.13 0.03 0.28 -1.93 0.00 0.00 178.83 176.97 1sdx h VAL 610 N -0.20 1.06 -0.71 2.39 2.07 -1.36 -2.92 116.25 116.58 1sdx h VAL 610 Ca 0.05 -0.18 0.08 0.00 0.82 0.00 0.00 66.70 67.48 1sdx h VAL 610 Cb 0.26 1.08 -0.07 0.00 -1.52 0.00 0.00 31.29 31.05 1sdx h VAL 610 CO -0.14 0.05 0.38 -0.07 0.02 0.00 0.00 177.57 177.82 1sdx h LEU 611 N 0.02 0.53 -1.30 2.57 4.07 -1.21 0.04 115.31 120.02 1sdx h LEU 611 Ca 0.02 0.05 0.03 0.00 0.08 0.00 0.00 57.88 58.06 1sdx h LEU 611 Cb 0.06 -0.05 -0.04 0.00 1.08 0.00 0.00 40.66 41.71 1sdx h LEU 611 CO -0.00 0.32 0.49 -0.07 -1.08 0.00 0.00 178.44 178.09 1sdx h LEU 612 N 0.66 0.78 -0.23 1.67 3.38 -1.26 -0.90 115.31 119.42 1sdx h LEU 612 Ca 0.34 -0.01 -0.22 0.00 0.09 0.00 0.00 57.88 58.08 1sdx h LEU 612 Cb 0.30 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1sdx h LEU 612 CO -0.23 0.54 -0.85 -0.74 0.09 0.00 0.00 178.44 177.24 1sdx h HIS 613 N 0.91 0.73 -0.49 1.13 2.76 -1.08 -3.00 115.15 116.11 1sdx h HIS 613 Ca 0.30 -0.36 -0.04 0.00 -2.20 0.00 0.00 60.37 58.06 1sdx h HIS 613 Cb 0.05 -0.10 -0.02 0.00 1.55 0.00 0.00 27.41 28.89 1sdx h HIS 613 CO -0.00 1.16 0.12 1.96 -1.30 0.00 0.00 177.93 179.87 1sdx h GLN 614 N 0.33 0.74 0.00 5.26 1.08 -0.30 -2.74 115.11 119.48 1sdx h GLN 614 Ca -0.06 -0.14 -0.08 0.00 -1.45 0.00 0.00 58.65 56.92 1sdx h GLN 614 Cb 1.47 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 28.77 1sdx h GLN 614 CO 0.16 0.67 -0.37 -0.56 -0.95 0.00 0.00 178.83 177.77 1sdx h GLN 615 N 0.72 0.00 0.00 1.46 3.07 -1.19 -0.39 115.11 118.78 1sdx h GLN 615 Ca 0.16 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.87 1sdx h GLN 615 Cb 0.26 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.82 1sdx h GLN 615 CO -0.00 0.37 -0.15 0.00 0.09 0.00 0.00 178.83 179.14 1sdx h ALA 616 N 1.63 1.23 0.04 0.06 0.00 -1.34 0.21 119.26 121.09 1sdx h ALA 616 Ca -0.00 -0.14 -0.32 0.00 0.00 0.00 0.00 54.91 54.45 1sdx h ALA 616 Cb 1.23 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 1sdx h ALA 616 CO 0.05 0.19 -1.75 1.28 0.00 0.00 0.00 179.25 179.02 1sdx n LEU 617 N -3.60 2.22 -0.28 0.00 4.77 -1.04 -1.70 117.00 117.36 1sdx n LEU 617 Ca -0.01 0.30 0.03 0.00 -0.03 0.00 0.00 56.01 56.30 1sdx n LEU 617 Cb 0.28 -1.00 0.05 0.00 -2.33 0.00 0.00 43.42 40.42 1sdx n LEU 617 CO 0.31 0.56 0.43 0.49 -1.33 0.00 0.00 177.39 177.84 1sdx n PHE 618 N -4.01 0.09 -0.63 -1.77 3.72 -0.18 0.18 117.46 114.85 1sdx n PHE 618 Ca -0.36 -0.18 -0.00 0.00 -0.05 0.00 0.00 57.45 56.86 1sdx n PHE 618 Cb 0.85 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.38 1sdx n PHE 618 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1sdx n GLY 619 N 0.24 -2.08 0.34 1.37 0.00 0.75 -1.45 105.19 104.35 1sdx n GLY 619 Ca 0.05 -1.51 -0.08 0.00 0.00 0.00 0.00 46.02 44.47 1sdx n GLY 619 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1sdx h LYS 620 N 0.00 -0.27 -0.33 1.61 3.64 -1.81 -2.41 116.57 117.00 1sdx h LYS 620 Ca -0.00 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1sdx h LYS 620 Cb 0.00 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1sdx h LYS 620 CO 0.00 -0.18 0.00 0.09 -2.27 0.00 0.00 179.45 177.09 1sdx n ASN 621 N -5.42 3.25 -4.41 4.20 5.03 -1.26 -4.92 115.26 111.72 1sdx n ASN 621 Ca 0.00 -1.94 -0.38 0.00 0.87 0.00 0.00 54.58 53.14 1sdx n ASN 621 Cb 0.34 -0.21 0.04 0.00 -1.02 0.00 0.00 39.78 38.92 1sdx n ASN 621 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1sdx n GLY 622 N 1.31 -1.94 0.31 7.41 0.00 -0.91 -4.90 105.19 106.48 1sdx n GLY 622 Ca 0.17 -0.24 0.15 0.00 0.00 0.00 0.00 46.02 46.10 1sdx n GLY 622 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sdx h LYS 623 N 0.02 0.20 -0.00 1.61 6.56 -1.14 -2.53 116.57 121.29 1sdx h LYS 623 Ca -0.45 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.13 1sdx h LYS 623 Cb 1.40 -0.04 0.00 0.00 -0.57 0.00 0.00 32.23 33.01 1sdx h LYS 623 CO 0.44 0.13 -0.60 0.09 -2.06 0.00 0.00 179.45 177.46 1sdx n ASN 624 N -5.23 1.01 0.00 0.86 3.02 0.13 -4.97 115.26 110.08 1sdx n ASN 624 Ca 0.23 -1.01 0.00 0.00 -0.03 0.00 0.00 54.58 53.78 1sdx n ASN 624 Cb 0.74 0.83 0.00 0.00 -0.61 0.00 0.00 39.78 40.74 1sdx n ASN 624 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sdx h PRO 626 N 0.00 -0.01 0.00 0.00 0.11 -1.88 -2.96 132.00 127.27 1sdx h PRO 626 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1sdx h PRO 626 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1sdx h PRO 626 CO 0.00 -0.01 0.00 -0.25 -0.21 0.00 0.00 178.00 177.53 1sdx n ASP 627 N -5.54 0.00 -0.10 -2.05 8.00 -1.14 -4.51 116.55 111.21 1sdx n ASP 627 Ca 0.12 0.73 -0.21 0.00 0.71 0.00 0.00 54.79 56.14 1sdx n ASP 627 Cb 0.43 -0.23 -0.08 0.00 -0.02 0.00 0.00 41.12 41.21 1sdx n ASP 627 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1sdx n LYS 628 N -1.86 0.46 -3.64 -1.24 5.02 -0.34 -5.07 118.16 111.49 1sdx n LYS 628 Ca 0.00 0.18 -0.12 0.00 -2.02 0.00 0.00 58.31 56.35 1sdx n LYS 628 Cb 0.00 -1.29 -0.07 0.00 -0.02 0.00 0.00 35.03 33.65 1sdx n LYS 628 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 1sdx s PHE 629 N -2.39 -0.84 -0.24 2.13 5.36 -1.13 -5.05 117.98 115.83 1sdx s PHE 629 Ca -0.29 1.90 0.02 0.00 -0.96 0.00 0.00 56.93 57.61 1sdx s PHE 629 Cb 0.10 0.37 0.05 0.00 -0.34 0.00 0.00 43.02 43.20 1sdx s PHE 629 CO 0.39 -0.41 -0.13 0.00 -1.46 0.00 0.00 175.22 173.61 1sdx h LEU 631 N 7.82 0.86 -3.20 0.00 6.46 -1.58 -3.08 115.31 122.59 1sdx h LEU 631 Ca -0.26 0.01 -0.14 0.00 -0.12 0.00 0.00 57.88 57.36 1sdx h LEU 631 Cb 1.07 -0.17 -0.09 0.00 -0.73 0.00 0.00 40.66 40.74 1sdx h LEU 631 CO 0.51 0.54 0.18 0.49 -0.62 0.00 0.00 178.44 179.54 1sdx n PHE 632 N -4.49 1.90 -4.37 1.25 3.72 -1.26 -4.77 117.46 109.45 1sdx n PHE 632 Ca 0.13 -0.92 -0.22 0.00 -0.05 0.00 0.00 57.45 56.40 1sdx n PHE 632 Cb 0.22 -0.56 -0.13 0.00 -0.94 0.00 0.00 39.48 38.07 1sdx n PHE 632 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1sdx s LYS 633 N -2.44 1.07 -0.22 -1.08 3.01 -1.17 -4.32 119.74 114.59 1sdx s LYS 633 Ca 0.43 -0.95 0.05 0.00 -1.01 0.00 0.00 55.97 54.49 1sdx s LYS 633 Cb 0.34 -1.17 0.18 0.00 -1.01 0.00 0.00 37.83 36.17 1sdx s LYS 633 CO 0.11 0.28 1.04 -1.13 0.51 0.00 0.00 175.35 176.16 1sdx n SER 634 N 1.54 -0.94 -4.15 2.83 3.41 -1.26 -4.90 113.62 110.15 1sdx n SER 634 Ca -0.19 -1.68 -0.40 0.00 -0.26 0.00 0.00 58.87 56.34 1sdx n SER 634 Cb 0.54 0.58 -0.02 0.00 -0.26 0.00 0.00 64.21 65.04 1sdx n SER 634 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1sdx n GLU 635 N -0.63 -0.67 -0.90 4.33 0.28 -1.26 -1.35 120.64 120.44 1sdx n GLU 635 Ca -0.12 0.11 0.00 0.00 -0.16 0.00 0.00 57.16 56.98 1sdx n GLU 635 Cb 0.69 -3.05 0.00 0.00 1.43 0.00 0.00 31.44 30.50 1sdx n GLU 635 CO 0.00 0.00 0.00 -2.37 -0.16 0.00 0.00 177.13 174.60 1sdx n THR 636 N -4.84 0.00 1.08 3.84 5.66 -1.26 -4.88 114.28 113.89 1sdx n THR 636 Ca -0.20 0.00 0.13 0.00 -3.05 0.00 0.00 64.05 60.93 1sdx n THR 636 Cb 0.62 -0.26 0.34 0.00 -1.55 0.00 0.00 70.33 69.48 1sdx n THR 636 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1sdx n LYS 637 N -1.80 0.23 -3.73 1.09 4.01 -0.46 -4.84 118.16 112.66 1sdx n LYS 637 Ca 0.00 -0.12 -0.25 0.00 -0.51 0.00 0.00 58.31 57.43 1sdx n LYS 637 Cb 0.08 -1.50 0.03 0.00 -0.51 0.00 0.00 35.03 33.13 1sdx n LYS 637 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 1sdx n ASN 638 N -1.28 -2.70 -4.65 4.39 5.03 -1.26 -4.92 115.26 109.87 1sdx n ASN 638 Ca 0.08 -0.93 -0.40 0.00 0.87 0.00 0.00 54.58 54.20 1sdx n ASN 638 Cb 0.33 -3.66 -0.06 0.00 -1.02 0.00 0.00 39.78 35.37 1sdx n ASN 638 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1sdx s LEU 639 N -6.59 4.13 0.00 3.41 1.43 -1.26 -4.30 118.68 115.49 1sdx s LEU 639 Ca 0.19 0.79 0.00 0.00 -1.03 0.00 0.00 54.13 54.08 1sdx s LEU 639 Cb -0.06 -2.86 0.00 0.00 0.03 0.00 0.00 46.19 43.30 1sdx s LEU 639 CO 0.84 -0.28 0.00 0.18 0.23 0.00 0.00 176.35 177.32 1sdx n LEU 640 N 5.14 0.00 -4.10 1.79 4.77 -1.26 -4.80 117.00 118.54 1sdx n LEU 640 Ca -0.02 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.87 1sdx n LEU 640 Cb 0.50 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.48 1sdx n LEU 640 CO 0.43 0.00 -0.37 -0.36 -1.33 0.00 0.00 177.39 175.76 1sdx s PHE 641 N 0.00 0.63 0.24 -1.77 0.08 -1.26 -4.53 117.98 111.38 1sdx s PHE 641 Ca 0.00 -0.89 -0.30 0.00 0.12 0.00 0.00 56.93 55.87 1sdx s PHE 641 Cb 0.00 -0.41 -0.09 0.00 -0.57 0.00 0.00 43.02 41.95 1sdx s PHE 641 CO 0.00 -0.24 1.22 -0.80 -0.10 0.00 0.00 175.22 175.29 1sdx s ASN 642 N -2.64 7.03 0.53 1.36 0.01 -1.26 -4.40 114.94 115.58 1sdx s ASN 642 Ca 0.04 2.37 0.36 0.00 -0.71 0.00 0.00 52.86 54.92 1sdx s ASN 642 Cb 0.03 -2.62 1.87 0.00 0.41 0.00 0.00 41.25 40.93 1sdx s ASN 642 CO -0.06 -0.38 2.09 0.44 -1.51 0.00 0.00 177.10 177.68 1sdx h ASP 643 N 4.50 0.00 -0.44 -1.22 3.32 -1.90 -2.20 116.42 118.48 1sdx h ASP 643 Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 1sdx h ASP 643 Cb 1.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.77 1sdx h ASP 643 CO 0.71 0.00 0.00 -0.46 -1.72 0.00 0.00 179.24 177.77 1sdx n ASN 644 N -2.80 2.91 -4.69 6.45 6.94 -1.26 -4.78 115.26 118.02 1sdx n ASN 644 Ca -0.02 -2.16 -0.42 0.00 -0.02 0.00 0.00 54.58 51.96 1sdx n ASN 644 Cb 0.10 -0.40 -0.03 0.00 -2.36 0.00 0.00 39.78 37.10 1sdx n ASN 644 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1sdx s THR 645 N -1.58 4.00 -0.03 5.53 2.01 -0.83 -4.32 115.64 120.41 1sdx s THR 645 Ca 0.32 1.37 -0.10 0.00 0.31 0.00 0.00 61.69 63.59 1sdx s THR 645 Cb 0.19 -3.88 -0.31 0.00 0.01 0.00 0.00 72.50 68.51 1sdx s THR 645 CO 0.18 0.02 0.75 -0.08 -0.69 0.00 0.00 174.62 174.80 1sdx h GLU 646 N 7.42 0.39 -2.19 4.92 4.81 -0.63 -3.46 114.58 125.84 1sdx h GLU 646 Ca -0.37 -0.67 0.19 0.00 -0.13 0.00 0.00 59.36 58.38 1sdx h GLU 646 Cb 1.18 0.25 -0.10 0.00 0.63 0.00 0.00 28.75 30.71 1sdx h GLU 646 CO 0.87 1.30 0.54 0.00 -0.73 0.00 0.00 179.01 181.00 1sdx s LEU 648 N -2.88 4.24 0.08 0.00 1.43 -1.26 -0.75 118.68 119.54 1sdx s LEU 648 Ca 0.12 0.42 0.05 0.00 -1.03 0.00 0.00 54.13 53.68 1sdx s LEU 648 Cb -0.00 -2.28 -0.04 0.00 0.03 0.00 0.00 46.19 43.90 1sdx s LEU 648 CO -0.00 0.13 -0.02 0.00 0.23 0.00 0.00 176.35 176.69 1sdx s ALA 649 N 0.41 3.23 0.59 4.21 0.00 0.11 -4.55 121.76 125.76 1sdx s ALA 649 Ca 0.14 -1.11 -0.17 0.00 0.00 0.00 0.00 51.96 50.82 1sdx s ALA 649 Cb -0.12 -1.16 -0.04 0.00 0.00 0.00 0.00 23.12 21.80 1sdx s ALA 649 CO 0.02 0.68 1.10 0.15 0.00 0.00 0.00 175.76 177.71 1sdx s LYS 650 N -2.16 3.20 -0.15 0.00 1.02 -0.15 -1.10 119.74 120.39 1sdx s LYS 650 Ca 0.24 1.41 -0.21 0.00 0.02 0.00 0.00 55.97 57.43 1sdx s LYS 650 Cb -0.12 -2.00 -0.24 0.00 -0.52 0.00 0.00 37.83 34.95 1sdx s LYS 650 CO 0.16 -0.94 0.49 -0.07 -0.92 0.00 0.00 175.35 174.07 1sdx h LEU 651 N 0.65 0.14 -1.56 3.17 3.38 -1.89 -3.46 115.31 115.74 1sdx h LEU 651 Ca -0.48 -0.76 0.00 0.00 0.09 0.00 0.00 57.88 56.73 1sdx h LEU 651 Cb 1.24 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1sdx h LEU 651 CO 0.56 1.41 -0.30 0.61 0.09 0.00 0.00 178.44 180.82 1sdx n GLY 652 N 1.59 -3.95 0.00 0.83 0.00 -1.26 -4.81 105.19 97.59 1sdx n GLY 652 Ca -0.24 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.30 1sdx n GLY 652 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sdx n GLY 653 N 0.57 0.92 3.29 -0.02 0.00 -1.26 -4.60 105.19 104.09 1sdx n GLY 653 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1sdx n GLY 653 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sdx n ARG 654 N -1.90 -0.61 -1.94 1.61 1.74 -1.26 -4.78 116.66 109.52 1sdx n ARG 654 Ca 0.00 -0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.69 1sdx n ARG 654 Cb 0.00 -0.47 0.01 0.00 -1.02 0.00 0.00 32.46 30.98 1sdx n ARG 654 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1sdx s PRO 655 N -4.11 3.73 0.99 5.56 0.05 -1.26 -5.05 135.00 134.91 1sdx s PRO 655 Ca 0.06 2.24 -0.17 0.00 0.05 0.00 0.00 61.00 63.18 1sdx s PRO 655 Cb -0.04 -2.62 0.22 0.00 0.05 0.00 0.00 34.50 32.11 1sdx s PRO 655 CO 0.30 -0.71 1.33 0.95 0.05 0.00 0.00 177.00 178.91 1sdx s THR 656 N -1.27 1.97 0.29 1.26 -4.23 -1.26 -4.71 115.64 107.70 1sdx s THR 656 Ca 0.61 0.00 0.08 0.00 -1.18 0.00 0.00 61.69 61.20 1sdx s THR 656 Cb -0.40 -2.97 0.02 0.00 1.34 0.00 0.00 72.50 70.50 1sdx s THR 656 CO 0.50 0.00 1.68 0.10 -0.54 0.00 0.00 174.62 176.37 1sdx h TYR 657 N -1.76 0.19 -0.42 3.99 -0.00 -1.95 -1.42 116.97 115.60 1sdx h TYR 657 Ca -0.44 -0.06 -0.14 0.00 0.00 0.00 0.00 58.73 58.09 1sdx h TYR 657 Cb 1.23 -0.04 -0.01 0.00 0.00 0.00 0.00 36.73 37.90 1sdx h TYR 657 CO -1.38 0.60 -0.28 0.93 -0.00 0.00 0.00 178.16 178.03 1sdx h GLU 658 N 0.13 0.91 -0.25 0.10 5.08 -1.96 -1.20 114.58 117.39 1sdx h GLU 658 Ca 0.01 -0.41 -0.14 0.00 -1.00 0.00 0.00 59.36 57.82 1sdx h GLU 658 Cb 0.88 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.10 1sdx h GLU 658 CO 0.07 1.07 -0.41 0.93 -1.00 0.00 0.00 179.01 179.67 1sdx h GLU 659 N 0.77 0.60 -0.22 2.33 5.08 -1.88 0.76 114.58 122.02 1sdx h GLU 659 Ca 0.09 -0.31 -0.04 0.00 -1.00 0.00 0.00 59.36 58.10 1sdx h GLU 659 Cb 0.85 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.10 1sdx h GLU 659 CO 0.07 0.91 -0.01 -0.92 -1.00 0.00 0.00 179.01 178.06 1sdx h TYR 660 N 0.49 0.44 0.00 4.33 3.20 -1.03 -3.06 116.97 121.34 1sdx h TYR 660 Ca 0.04 -0.08 -0.12 0.00 3.14 0.00 0.00 58.73 61.71 1sdx h TYR 660 Cb 0.92 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 39.06 1sdx h TYR 660 CO 0.04 0.59 -0.59 -0.07 -1.64 0.00 0.00 178.16 176.49 1sdx h LEU 661 N 0.16 0.00 0.00 2.82 3.38 -1.18 -3.48 115.31 117.01 1sdx h LEU 661 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1sdx h LEU 661 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1sdx h LEU 661 CO 0.01 0.59 0.00 0.61 0.09 0.00 0.00 178.44 179.75 1sdx n GLY 662 N 0.44 -0.29 0.22 0.83 0.00 0.26 -4.44 105.19 102.21 1sdx n GLY 662 Ca -0.01 -1.47 0.06 0.00 0.00 0.00 0.00 46.02 44.61 1sdx n GLY 662 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1sdx h THR 663 N 0.00 0.99 0.57 2.61 2.02 -1.89 -1.96 112.91 115.26 1sdx h THR 663 Ca 0.00 -0.94 -0.03 0.00 0.77 0.00 0.00 66.41 66.21 1sdx h THR 663 Cb 0.00 1.54 0.01 0.00 -1.74 0.00 0.00 68.15 67.95 1sdx h THR 663 CO 0.00 0.25 -0.27 -0.33 0.37 0.00 0.00 175.52 175.54 1sdx h GLU 664 N 0.00 -0.74 -0.63 6.66 4.39 -1.95 -2.59 114.58 119.72 1sdx h GLU 664 Ca -0.00 0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.72 1sdx h GLU 664 Cb 0.52 0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 29.31 1sdx h GLU 664 CO 0.03 -0.46 0.27 -0.92 -1.16 0.00 0.00 179.01 176.78 1sdx h TYR 665 N -0.86 0.94 -0.93 4.33 3.20 -1.75 -2.65 116.97 119.25 1sdx h TYR 665 Ca -0.08 -0.06 0.01 0.00 3.14 0.00 0.00 58.73 61.74 1sdx h TYR 665 Cb 0.62 -0.28 -0.05 0.00 1.54 0.00 0.00 36.73 38.56 1sdx h TYR 665 CO -0.02 0.73 0.60 0.28 -1.64 0.00 0.00 178.16 178.11 1sdx h VAL 666 N 0.88 1.24 -0.10 1.81 2.07 -1.37 -1.83 116.25 118.95 1sdx h VAL 666 Ca 0.21 -0.46 -0.12 0.00 0.82 0.00 0.00 66.70 67.16 1sdx h VAL 666 Cb 0.17 -0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 29.81 1sdx h VAL 666 CO -0.02 0.24 -0.46 0.71 0.02 0.00 0.00 177.57 178.05 1sdx h THR 667 N 1.26 1.33 -0.23 2.57 1.35 -1.34 -2.21 112.91 115.65 1sdx h THR 667 Ca 0.34 -1.65 -0.00 0.00 -0.55 0.00 0.00 66.41 64.55 1sdx h THR 667 Cb -0.13 1.77 -0.01 0.00 -1.73 0.00 0.00 68.15 68.05 1sdx h THR 667 CO -0.07 0.49 0.14 0.00 -0.25 0.00 0.00 175.52 175.83 1sdx h ALA 668 N 1.31 0.29 -0.16 6.62 0.00 -1.00 -1.40 119.26 124.93 1sdx h ALA 668 Ca 0.01 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1sdx h ALA 668 Cb 0.90 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1sdx h ALA 668 CO 0.07 -0.21 0.04 0.82 0.00 0.00 0.00 179.25 179.97 1sdx h ILE 669 N 0.28 1.20 -0.17 0.00 2.04 -1.27 -2.07 117.51 117.53 1sdx h ILE 669 Ca 0.08 -0.65 0.05 0.00 1.00 0.00 0.00 64.86 65.35 1sdx h ILE 669 Cb 0.02 1.33 -0.07 0.00 -0.74 0.00 0.00 36.82 37.37 1sdx h ILE 669 CO -0.02 0.20 -0.31 0.00 0.00 0.00 0.00 178.15 178.02 1sdx h ALA 670 N 0.84 -0.32 -0.59 1.87 0.00 -1.31 0.18 119.26 119.93 1sdx h ALA 670 Ca 0.05 0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.07 1sdx h ALA 670 Cb 0.27 0.60 -0.06 0.00 0.00 0.00 0.00 17.79 18.59 1sdx h ALA 670 CO 0.00 -0.77 0.26 -0.91 0.00 0.00 0.00 179.25 177.83 1sdx h ASN 671 N -0.36 0.32 -0.33 0.00 2.35 -1.19 -1.60 115.58 114.77 1sdx h ASN 671 Ca 0.11 0.06 -0.09 0.00 -0.55 0.00 0.00 56.30 55.83 1sdx h ASN 671 Cb 0.53 0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.89 1sdx h ASN 671 CO -0.37 0.20 -0.09 0.25 -1.65 0.00 0.00 177.43 175.77 1sdx h LEU 672 N 0.48 0.74 -1.59 1.61 5.85 -0.74 -2.55 115.31 119.11 1sdx h LEU 672 Ca 0.28 -0.21 -0.05 0.00 0.84 0.00 0.00 57.88 58.74 1sdx h LEU 672 Cb 0.28 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 1sdx h LEU 672 CO -0.24 0.86 -0.22 0.11 -0.34 0.00 0.00 178.44 178.61 1sdx h LYS 673 N 0.69 0.00 -0.50 1.25 1.79 0.06 -1.75 116.57 118.10 1sdx h LYS 673 Ca 0.12 0.00 0.14 0.00 -2.18 0.00 0.00 60.65 58.73 1sdx h LYS 673 Cb 0.56 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.19 1sdx h LYS 673 CO 0.03 0.22 0.39 1.57 -1.08 0.00 0.00 179.45 180.59 1sdx h LYS 674 N 0.00 0.00 -0.13 3.15 2.10 -0.87 -0.63 116.57 120.20 1sdx h LYS 674 Ca -0.00 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.58 1sdx h LYS 674 Cb 0.45 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.78 1sdx h LYS 674 CO 0.03 0.00 -0.20 0.00 -2.00 0.00 0.00 179.45 177.28