#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ib0 s THR 343 N 0.00 3.80 0.55 -3.48 -4.23 -1.26 -5.11 115.64 105.91 3ib0 s THR 343 Ca 0.00 -1.29 -0.18 0.00 -1.18 0.00 0.00 61.69 59.04 3ib0 s THR 343 Cb 0.00 -2.88 -0.05 0.00 1.34 0.00 0.00 72.50 70.91 3ib0 s THR 343 CO 0.00 -0.04 1.08 -0.13 -0.54 0.00 0.00 174.62 174.99 3ib0 s ARG 344 N -2.74 3.41 -0.22 3.99 0.52 -1.26 -5.02 118.95 117.62 3ib0 s ARG 344 Ca 0.27 1.40 -0.09 0.00 -0.52 0.00 0.00 55.73 56.78 3ib0 s ARG 344 Cb -0.10 -2.03 -0.05 0.00 0.52 0.00 0.00 34.95 33.29 3ib0 s ARG 344 CO 0.18 -0.76 0.12 0.08 0.02 0.00 0.00 175.30 174.94 3ib0 s VAL 345 N -2.09 5.11 -0.43 3.52 1.01 -0.21 -4.98 120.40 122.32 3ib0 s VAL 345 Ca 0.68 0.09 -0.17 0.00 0.00 0.00 0.00 61.98 62.57 3ib0 s VAL 345 Cb -0.19 -3.35 0.03 0.00 0.00 0.00 0.00 36.38 32.86 3ib0 s VAL 345 CO 0.29 0.39 0.45 -0.69 0.00 0.00 0.00 175.10 175.54 3ib0 s VAL 346 N 0.83 5.08 0.39 2.92 1.01 -1.26 -0.90 120.40 128.47 3ib0 s VAL 346 Ca 0.06 -0.39 -0.14 0.00 0.00 0.00 0.00 61.98 61.51 3ib0 s VAL 346 Cb -0.13 -4.07 -0.08 0.00 0.00 0.00 0.00 36.38 32.10 3ib0 s VAL 346 CO 0.02 -0.46 0.80 0.86 0.00 0.00 0.00 175.10 176.32 3ib0 s TRP 347 N 2.16 3.41 -0.22 5.22 -0.11 0.33 0.17 118.94 129.89 3ib0 s TRP 347 Ca 0.12 1.24 -0.04 0.00 1.22 0.00 0.00 56.10 58.64 3ib0 s TRP 347 Cb -0.18 -2.57 -0.01 0.00 -1.50 0.00 0.00 33.47 29.21 3ib0 s TRP 347 CO 0.13 -0.05 -0.04 0.00 -4.62 0.00 0.00 176.95 172.37 3ib0 s ALA 349 N 1.48 3.75 -0.49 0.00 0.00 0.22 -4.75 121.76 121.98 3ib0 s ALA 349 Ca 0.06 -0.52 -0.17 0.00 0.00 0.00 0.00 51.96 51.32 3ib0 s ALA 349 Cb -0.14 -2.18 0.07 0.00 0.00 0.00 0.00 23.12 20.87 3ib0 s ALA 349 CO -0.03 0.40 0.50 0.08 0.00 0.00 0.00 175.76 176.71 3ib0 s VAL 350 N -0.50 5.07 0.00 0.00 1.01 -1.26 -1.36 120.40 123.37 3ib0 s VAL 350 Ca 0.16 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.34 3ib0 s VAL 350 Cb -0.13 -4.20 0.00 0.00 0.00 0.00 0.00 36.38 32.05 3ib0 s VAL 350 CO 0.05 -0.68 0.00 0.61 0.00 0.00 0.00 175.10 175.08 3ib0 n GLY 351 N 5.19 -1.06 0.18 4.51 0.00 0.11 -4.24 105.19 109.88 3ib0 n GLY 351 Ca -0.10 -1.63 0.04 0.00 0.00 0.00 0.00 46.02 44.33 3ib0 n GLY 351 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ib0 h PRO 352 N 0.00 0.00 -0.13 1.61 0.13 -1.92 -1.57 132.00 130.12 3ib0 h PRO 352 Ca 0.00 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.04 3ib0 h PRO 352 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3ib0 h PRO 352 CO 0.00 0.41 -0.27 0.93 -0.23 0.00 0.00 178.00 178.84 3ib0 h GLU 353 N 0.00 0.40 -0.78 0.86 5.08 -1.97 -1.48 114.58 116.69 3ib0 h GLU 353 Ca -0.00 -0.27 0.01 0.00 -1.00 0.00 0.00 59.36 58.10 3ib0 h GLU 353 Cb 0.84 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.08 3ib0 h GLU 353 CO 0.05 0.87 0.52 0.93 -1.00 0.00 0.00 179.01 180.39 3ib0 h GLU 354 N -0.01 1.02 -0.43 2.33 5.08 -1.71 -2.14 114.58 118.72 3ib0 h GLU 354 Ca 0.00 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.24 3ib0 h GLU 354 Cb 0.87 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 3ib0 h GLU 354 CO 0.06 0.68 0.01 0.37 -1.00 0.00 0.00 179.01 179.12 3ib0 h GLN 355 N 1.05 0.68 -0.35 2.33 4.15 -1.09 0.13 115.11 122.01 3ib0 h GLN 355 Ca 0.29 -0.17 -0.06 0.00 0.77 0.00 0.00 58.65 59.48 3ib0 h GLN 355 Cb -0.11 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.48 3ib0 h GLN 355 CO -0.07 0.70 -0.03 -0.22 -1.93 0.00 0.00 178.83 177.28 3ib0 h LYS 356 N 0.65 0.64 -0.53 1.69 3.64 -0.85 -1.16 116.57 120.66 3ib0 h LYS 356 Ca 0.13 -0.22 -0.06 0.00 -1.27 0.00 0.00 60.65 59.23 3ib0 h LYS 356 Cb 0.39 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.14 3ib0 h LYS 356 CO 0.01 0.78 0.09 -0.22 -2.27 0.00 0.00 179.45 177.84 3ib0 h LYS 357 N 0.44 0.87 -0.81 1.90 3.64 -1.11 -2.16 116.57 119.34 3ib0 h LYS 357 Ca 0.10 -0.23 -0.02 0.00 -1.27 0.00 0.00 60.65 59.23 3ib0 h LYS 357 Cb 0.51 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.19 3ib0 h LYS 357 CO 0.02 0.84 0.43 0.00 -2.27 0.00 0.00 179.45 178.48 3ib0 h GLN 359 N 1.14 0.81 -0.33 0.00 4.20 -0.90 0.11 115.11 120.15 3ib0 h GLN 359 Ca 0.29 -0.20 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 3ib0 h GLN 359 Cb 0.05 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 3ib0 h GLN 359 CO -0.04 0.79 0.16 1.96 -0.67 0.00 0.00 178.83 181.03 3ib0 h GLN 360 N 0.77 0.48 -0.56 1.46 4.20 -0.82 -1.60 115.11 119.03 3ib0 h GLN 360 Ca 0.16 -0.07 0.01 0.00 0.06 0.00 0.00 58.65 58.80 3ib0 h GLN 360 Cb 0.41 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.07 3ib0 h GLN 360 CO 0.01 0.44 0.37 2.35 -0.67 0.00 0.00 178.83 181.33 3ib0 h TRP 361 N 0.40 0.70 -0.34 2.96 7.01 -0.74 -1.33 115.95 124.60 3ib0 h TRP 361 Ca 0.11 0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.16 3ib0 h TRP 361 Cb 0.13 -0.23 -0.03 0.00 -2.10 0.00 0.00 29.16 26.92 3ib0 h TRP 361 CO -0.02 0.43 0.15 1.03 -2.79 0.00 0.00 178.44 177.25 3ib0 h SER 362 N 0.75 0.21 -0.30 2.65 0.87 -0.57 0.10 113.55 117.26 3ib0 h SER 362 Ca 0.21 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.79 3ib0 h SER 362 Cb -0.08 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 61.85 3ib0 h SER 362 CO -0.05 0.16 0.19 -0.61 -0.53 0.00 0.00 176.83 176.00 3ib0 h GLN 363 N 0.32 0.38 0.00 2.24 4.15 -0.97 -1.67 115.11 119.57 3ib0 h GLN 363 Ca 0.15 -0.02 -0.07 0.00 0.77 0.00 0.00 58.65 59.48 3ib0 h GLN 363 Cb 0.08 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.67 3ib0 h GLN 363 CO -0.12 0.25 -0.31 1.96 -1.93 0.00 0.00 178.83 178.69 3ib0 h GLN 364 N 0.39 0.00 -0.00 1.69 1.08 -0.85 -2.53 115.11 114.90 3ib0 h GLN 364 Ca 0.11 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.31 3ib0 h GLN 364 Cb -0.04 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.39 3ib0 h GLN 364 CO -0.03 0.31 -0.01 -1.13 -0.95 0.00 0.00 178.83 177.02 3ib0 n SER 365 N -3.91 0.40 -2.40 1.46 3.41 0.32 -4.89 113.62 108.01 3ib0 n SER 365 Ca -0.02 -1.05 -0.17 0.00 -0.26 0.00 0.00 58.87 57.37 3ib0 n SER 365 Cb 0.38 -0.02 0.03 0.00 -0.26 0.00 0.00 64.21 64.34 3ib0 n SER 365 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ib0 n GLY 366 N 1.08 -0.23 2.51 5.00 0.00 -0.95 -2.13 105.19 110.47 3ib0 n GLY 366 Ca 0.22 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3ib0 n GLY 366 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3ib0 n GLN 367 N -3.31 -0.94 0.23 1.61 1.13 -0.67 -4.87 117.38 110.57 3ib0 n GLN 367 Ca -0.08 0.24 0.08 0.00 -1.94 0.00 0.00 57.00 55.29 3ib0 n GLN 367 Cb 0.59 -3.95 0.56 0.00 0.11 0.00 0.00 30.24 27.55 3ib0 n GLN 367 CO 0.00 0.00 0.00 -0.91 -1.44 0.00 0.00 177.06 174.71 3ib0 h ASN 368 N 0.00 0.00 -3.89 1.08 2.35 -1.66 -3.40 115.58 110.05 3ib0 h ASN 368 Ca 0.00 0.00 -0.69 0.00 -0.55 0.00 0.00 56.30 55.06 3ib0 h ASN 368 Cb 0.47 0.00 -0.31 0.00 0.05 0.00 0.00 38.32 38.53 3ib0 h ASN 368 CO 0.00 0.20 -0.87 -0.69 -1.65 0.00 0.00 177.43 174.41 3ib0 s VAL 369 N -4.36 2.16 0.43 2.81 1.01 -1.26 -1.04 120.40 120.14 3ib0 s VAL 369 Ca -0.03 -1.02 0.03 0.00 0.00 0.00 0.00 61.98 60.96 3ib0 s VAL 369 Cb 0.14 -1.79 -0.03 0.00 0.00 0.00 0.00 36.38 34.70 3ib0 s VAL 369 CO 0.66 0.57 0.06 0.42 0.00 0.00 0.00 175.10 176.81 3ib0 s THR 370 N -0.10 1.02 -0.06 3.92 -4.23 -0.08 -4.24 115.64 111.87 3ib0 s THR 370 Ca -0.05 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.48 3ib0 s THR 370 Cb -0.14 -2.43 0.01 0.00 1.34 0.00 0.00 72.50 71.28 3ib0 s THR 370 CO 0.04 0.00 -0.14 0.00 -0.54 0.00 0.00 174.62 173.99 3ib0 s ALA 372 N 0.53 3.22 0.01 0.00 0.00 0.49 -4.93 121.76 121.09 3ib0 s ALA 372 Ca -0.13 -1.44 0.00 0.00 0.00 0.00 0.00 51.96 50.39 3ib0 s ALA 372 Cb -0.15 -0.96 -0.01 0.00 0.00 0.00 0.00 23.12 21.99 3ib0 s ALA 372 CO 0.04 0.41 -0.02 -0.08 0.00 0.00 0.00 175.76 176.10 3ib0 s THR 373 N -1.91 0.12 0.17 0.00 -1.32 -1.26 -0.61 115.64 110.84 3ib0 s THR 373 Ca 0.29 -0.55 -0.00 0.00 -1.21 0.00 0.00 61.69 60.22 3ib0 s THR 373 Cb -0.08 -0.20 -0.04 0.00 -1.51 0.00 0.00 72.50 70.66 3ib0 s THR 373 CO 0.19 -0.27 0.07 0.00 -2.21 0.00 0.00 174.62 172.41 3ib0 s ALA 374 N -0.84 1.14 -0.29 11.08 0.00 -0.46 -4.93 121.76 127.45 3ib0 s ALA 374 Ca -0.09 -1.61 0.20 0.00 0.00 0.00 0.00 51.96 50.46 3ib0 s ALA 374 Cb -0.06 0.99 0.16 0.00 0.00 0.00 0.00 23.12 24.21 3ib0 s ALA 374 CO -0.00 -0.49 1.42 0.77 0.00 0.00 0.00 175.76 177.46 3ib0 h SER 375 N 2.71 0.00 -5.29 0.00 0.02 -1.95 0.34 113.55 109.38 3ib0 h SER 375 Ca -0.36 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.45 3ib0 h SER 375 Cb 1.22 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.61 3ib0 h SER 375 CO 0.58 0.22 -0.65 0.42 -1.14 0.00 0.00 176.83 176.26 3ib0 s THR 376 N -3.12 0.18 0.18 -2.27 -4.23 -1.26 -4.41 115.64 100.71 3ib0 s THR 376 Ca 0.04 -1.80 -0.12 0.00 -1.18 0.00 0.00 61.69 58.63 3ib0 s THR 376 Cb 0.07 -1.66 0.09 0.00 1.34 0.00 0.00 72.50 72.34 3ib0 s THR 376 CO 0.72 -0.82 1.77 0.74 -0.54 0.00 0.00 174.62 176.49 3ib0 h THR 377 N 3.04 1.21 -0.96 3.99 2.02 -1.90 -1.71 112.91 118.59 3ib0 h THR 377 Ca -0.34 -0.57 0.07 0.00 0.77 0.00 0.00 66.41 66.34 3ib0 h THR 377 Cb 1.16 0.46 -0.07 0.00 -1.74 0.00 0.00 68.15 67.96 3ib0 h THR 377 CO 0.63 0.24 0.61 0.44 0.37 0.00 0.00 175.52 177.81 3ib0 h ASP 378 N 0.84 0.97 -0.31 4.18 3.32 -1.96 0.27 116.42 123.72 3ib0 h ASP 378 Ca 0.21 0.02 -0.08 0.00 0.02 0.00 0.00 57.03 57.20 3ib0 h ASP 378 Cb 0.09 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 3ib0 h ASP 378 CO -0.03 0.60 -0.06 0.44 -1.72 0.00 0.00 179.24 178.47 3ib0 h ASP 379 N 1.09 0.68 -0.67 6.45 3.32 -1.83 -1.17 116.42 124.30 3ib0 h ASP 379 Ca 0.43 -0.17 -0.05 0.00 0.02 0.00 0.00 57.03 57.26 3ib0 h ASP 379 Cb 0.21 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.55 3ib0 h ASP 379 CO -0.19 0.79 0.24 0.00 -1.72 0.00 0.00 179.24 178.36 3ib0 h ILE 381 N 0.96 1.14 -0.65 0.00 2.04 -0.53 -1.08 117.51 119.38 3ib0 h ILE 381 Ca 0.22 -0.34 -0.05 0.00 1.00 0.00 0.00 64.86 65.69 3ib0 h ILE 381 Cb 0.25 0.05 -0.03 0.00 -0.74 0.00 0.00 36.82 36.35 3ib0 h ILE 381 CO -0.01 0.18 0.22 0.58 0.00 0.00 0.00 178.15 179.12 3ib0 h VAL 382 N 1.00 1.25 -0.94 1.67 2.07 -0.83 0.56 116.25 121.04 3ib0 h VAL 382 Ca 0.31 -0.83 0.06 0.00 0.82 0.00 0.00 66.70 67.06 3ib0 h VAL 382 Cb -0.02 0.55 -0.06 0.00 -1.52 0.00 0.00 31.29 30.24 3ib0 h VAL 382 CO -0.10 0.32 0.60 -0.07 0.02 0.00 0.00 177.57 178.34 3ib0 h LEU 383 N 0.94 0.96 -0.30 2.57 3.38 -0.27 -0.25 115.31 122.34 3ib0 h LEU 383 Ca 0.21 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.13 3ib0 h LEU 383 Cb 0.27 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3ib0 h LEU 383 CO -0.01 0.62 -0.04 0.58 0.09 0.00 0.00 178.44 179.68 3ib0 h VAL 384 N 1.10 1.27 -0.72 1.22 2.07 -0.62 0.27 116.25 120.84 3ib0 h VAL 384 Ca 0.40 -1.04 0.09 0.00 0.82 0.00 0.00 66.70 66.97 3ib0 h VAL 384 Cb 0.14 1.34 -0.05 0.00 -1.52 0.00 0.00 31.29 31.20 3ib0 h VAL 384 CO -0.16 0.33 0.47 -0.07 0.02 0.00 0.00 177.57 178.16 3ib0 h LEU 385 N 0.34 0.58 -0.01 2.57 3.38 -0.40 -0.36 115.31 121.40 3ib0 h LEU 385 Ca 0.08 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3ib0 h LEU 385 Cb 0.51 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.14 3ib0 h LEU 385 CO 0.02 0.35 0.00 0.29 0.09 0.00 0.00 178.44 179.20 3ib0 n LYS 386 N -4.49 0.08 -0.81 1.13 5.02 -0.15 -4.89 118.16 114.05 3ib0 n LYS 386 Ca 0.12 0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.49 3ib0 n LYS 386 Cb 0.31 -1.60 0.00 0.00 -0.02 0.00 0.00 35.03 33.72 3ib0 n LYS 386 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ib0 n GLY 387 N 1.35 0.54 0.35 0.72 0.00 -0.15 -4.93 105.19 103.08 3ib0 n GLY 387 Ca 0.06 -0.47 0.12 0.00 0.00 0.00 0.00 46.02 45.73 3ib0 n GLY 387 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ib0 n GLU 388 N -2.81 0.96 -3.92 1.61 1.02 0.89 -4.85 120.64 113.54 3ib0 n GLU 388 Ca 0.00 -0.70 -0.09 0.00 -0.02 0.00 0.00 57.16 56.35 3ib0 n GLU 388 Cb 0.00 -1.49 -0.08 0.00 -0.02 0.00 0.00 31.44 29.86 3ib0 n GLU 388 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ib0 s ALA 389 N -2.52 -0.03 -0.20 0.62 0.00 -0.99 -4.88 121.76 113.76 3ib0 s ALA 389 Ca 0.21 -0.79 -0.01 0.00 0.00 0.00 0.00 51.96 51.36 3ib0 s ALA 389 Cb 0.19 0.55 -0.21 0.00 0.00 0.00 0.00 23.12 23.65 3ib0 s ALA 389 CO 0.56 -0.52 0.02 -0.25 0.00 0.00 0.00 175.76 175.58 3ib0 n ASP 390 N -0.07 2.03 -3.48 0.00 8.00 0.13 -4.14 116.55 119.01 3ib0 n ASP 390 Ca -0.13 0.01 -0.10 0.00 0.71 0.00 0.00 54.79 55.28 3ib0 n ASP 390 Cb 0.62 -0.59 -0.02 0.00 -0.02 0.00 0.00 41.12 41.11 3ib0 n ASP 390 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ib0 s ALA 391 N -2.54 -1.76 0.20 2.24 0.00 -1.05 -4.13 121.76 114.72 3ib0 s ALA 391 Ca -0.30 0.87 -0.21 0.00 0.00 0.00 0.00 51.96 52.33 3ib0 s ALA 391 Cb 0.08 0.54 0.04 0.00 0.00 0.00 0.00 23.12 23.78 3ib0 s ALA 391 CO 0.67 -0.70 0.61 -0.48 0.00 0.00 0.00 175.76 175.86 3ib0 s LEU 392 N -2.53 -0.28 -0.04 0.00 2.34 -1.16 -1.07 118.68 115.94 3ib0 s LEU 392 Ca 0.04 -0.32 -0.18 0.00 0.06 0.00 0.00 54.13 53.73 3ib0 s LEU 392 Cb -0.01 2.49 -0.05 0.00 -0.56 0.00 0.00 46.19 48.06 3ib0 s LEU 392 CO -0.10 -1.10 0.50 0.21 -1.06 0.00 0.00 176.35 174.80 3ib0 s ASN 393 N -2.84 6.83 -0.01 1.48 2.47 -1.26 -1.33 114.94 120.29 3ib0 s ASN 393 Ca 0.06 0.99 0.03 0.00 0.42 0.00 0.00 52.86 54.36 3ib0 s ASN 393 Cb -0.02 -2.30 -0.01 0.00 -1.45 0.00 0.00 41.25 37.46 3ib0 s ASN 393 CO -0.04 0.14 -0.11 -0.76 -3.72 0.00 0.00 177.10 172.61 3ib0 s LEU 394 N -0.19 2.01 0.74 3.21 1.43 0.98 -4.90 118.68 121.96 3ib0 s LEU 394 Ca 0.27 -0.20 -0.15 0.00 -1.03 0.00 0.00 54.13 53.02 3ib0 s LEU 394 Cb -0.17 -0.56 0.04 0.00 0.03 0.00 0.00 46.19 45.53 3ib0 s LEU 394 CO 0.14 0.13 1.21 -0.67 0.23 0.00 0.00 176.35 177.39 3ib0 n ASP 395 N 2.83 1.38 -0.08 2.29 2.03 -1.26 -1.22 116.55 122.52 3ib0 n ASP 395 Ca -0.14 0.69 0.16 0.00 0.52 0.00 0.00 54.79 56.02 3ib0 n ASP 395 Cb 0.56 -1.52 0.57 0.00 -0.72 0.00 0.00 41.12 40.02 3ib0 n ASP 395 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 3ib0 h GLY 396 N -0.28 0.40 1.05 0.27 0.00 -1.84 0.39 103.07 103.07 3ib0 h GLY 396 Ca -0.48 -0.11 -0.15 0.00 0.00 0.00 0.00 47.33 46.59 3ib0 h GLY 396 CO 0.49 0.05 -0.42 -1.33 0.00 0.00 0.00 176.54 175.33 3ib0 h GLY 397 N 0.25 0.85 1.57 4.60 0.00 -1.90 -1.98 103.07 106.48 3ib0 h GLY 397 Ca 0.30 -0.95 -0.06 0.00 0.00 0.00 0.00 47.33 46.62 3ib0 h GLY 397 CO -0.06 0.85 -0.06 -0.97 0.00 0.00 0.00 176.54 176.30 3ib0 h TYR 398 N 0.53 0.55 -0.70 5.60 0.05 -1.28 -1.52 116.97 120.20 3ib0 h TYR 398 Ca 0.03 -0.07 0.01 0.00 0.05 0.00 0.00 58.73 58.75 3ib0 h TYR 398 Cb 1.02 -0.15 -0.04 0.00 1.01 0.00 0.00 36.73 38.57 3ib0 h TYR 398 CO 0.08 0.58 0.47 0.82 -1.05 0.00 0.00 178.16 179.05 3ib0 h ILE 399 N 0.49 1.16 0.23 -2.88 2.04 -0.72 0.18 117.51 118.02 3ib0 h ILE 399 Ca 0.10 -0.32 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 3ib0 h ILE 399 Cb 0.42 0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.65 3ib0 h ILE 399 CO 0.02 0.17 -0.11 0.22 0.00 0.00 0.00 178.15 178.45 3ib0 h TYR 400 N 0.93 -0.29 -0.24 1.37 3.20 -0.53 0.48 116.97 121.90 3ib0 h TYR 400 Ca 0.26 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.17 3ib0 h TYR 400 Cb -0.08 0.10 -0.04 0.00 1.54 0.00 0.00 36.73 38.25 3ib0 h TYR 400 CO -0.00 -0.18 -0.04 1.15 -1.64 0.00 0.00 178.16 177.45 3ib0 h THR 401 N -0.31 0.79 -0.60 1.81 2.02 -0.86 -1.41 112.91 114.35 3ib0 h THR 401 Ca -0.03 -0.01 -0.05 0.00 0.77 0.00 0.00 66.41 67.09 3ib0 h THR 401 Cb 0.24 0.76 -0.03 0.00 -1.74 0.00 0.00 68.15 67.38 3ib0 h THR 401 CO 0.05 0.01 0.16 0.00 0.37 0.00 0.00 175.52 176.11 3ib0 h ALA 402 N 1.23 1.16 -0.19 6.16 0.00 -0.48 -2.92 119.26 124.22 3ib0 h ALA 402 Ca 0.11 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.69 3ib0 h ALA 402 Cb 0.16 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3ib0 h ALA 402 CO -0.22 0.58 -0.44 0.78 0.00 0.00 0.00 179.25 179.94 3ib0 h GLY 403 N 1.01 0.50 2.00 0.00 0.00 0.38 -1.21 103.07 105.75 3ib0 h GLY 403 Ca 0.19 -0.51 -0.03 0.00 0.00 0.00 0.00 47.33 46.99 3ib0 h GLY 403 CO -0.00 0.46 -0.15 0.50 0.00 0.00 0.00 176.54 177.34 3ib0 h LYS 404 N 0.37 0.00 -0.02 4.80 1.79 -1.08 -1.75 116.57 120.68 3ib0 h LYS 404 Ca 0.03 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 3ib0 h LYS 404 Cb 0.92 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.57 3ib0 h LYS 404 CO 0.08 0.15 -0.01 0.00 -1.08 0.00 0.00 179.45 178.59 3ib0 n GLY 406 N 1.23 0.47 3.82 0.00 0.00 -0.66 -5.00 105.19 105.06 3ib0 n GLY 406 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 3ib0 n GLY 406 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ib0 s LEU 407 N 0.00 3.51 0.10 0.99 1.43 -0.52 -4.59 118.68 119.60 3ib0 s LEU 407 Ca 0.00 1.68 0.08 0.00 -1.03 0.00 0.00 54.13 54.86 3ib0 s LEU 407 Cb 0.00 -4.52 -0.03 0.00 0.03 0.00 0.00 46.19 41.67 3ib0 s LEU 407 CO 0.00 -0.93 -0.21 0.68 0.23 0.00 0.00 176.35 176.12 3ib0 s VAL 408 N -2.61 1.75 0.38 -1.59 -7.23 0.08 -4.06 120.40 107.12 3ib0 s VAL 408 Ca 0.61 -1.55 -0.26 0.00 -1.81 0.00 0.00 61.98 58.97 3ib0 s VAL 408 Cb -0.13 -1.58 -0.09 0.00 0.56 0.00 0.00 36.38 35.14 3ib0 s VAL 408 CO 0.37 -0.04 1.13 -2.16 -0.31 0.00 0.00 175.10 174.09 3ib0 s PRO 409 N -1.90 4.16 -0.03 4.82 0.04 -1.26 -1.84 135.00 138.99 3ib0 s PRO 409 Ca 0.07 1.76 -0.02 0.00 0.04 0.00 0.00 61.00 62.86 3ib0 s PRO 409 Cb -0.10 -2.72 -0.01 0.00 0.04 0.00 0.00 34.50 31.71 3ib0 s PRO 409 CO 0.04 -0.21 -0.04 0.28 0.04 0.00 0.00 177.00 177.12 3ib0 n VAL 410 N 0.19 0.18 -3.71 -0.36 0.31 0.84 -4.89 118.33 110.89 3ib0 n VAL 410 Ca 0.04 -0.04 -0.14 0.00 -0.01 0.00 0.00 64.34 64.19 3ib0 n VAL 410 Cb 0.47 -1.54 -0.08 0.00 -0.91 0.00 0.00 33.84 31.78 3ib0 n VAL 410 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3ib0 s LEU 411 N -6.18 0.58 0.05 7.52 1.43 -1.25 -4.47 118.68 116.37 3ib0 s LEU 411 Ca -0.04 0.15 0.07 0.00 -1.03 0.00 0.00 54.13 53.28 3ib0 s LEU 411 Cb 0.02 1.51 -0.03 0.00 0.03 0.00 0.00 46.19 47.72 3ib0 s LEU 411 CO 0.05 -0.51 -0.17 0.00 0.23 0.00 0.00 176.35 175.96 3ib0 s ALA 412 N -1.53 2.65 0.27 4.21 0.00 -0.49 -0.64 121.76 126.24 3ib0 s ALA 412 Ca -0.12 -1.21 -0.30 0.00 0.00 0.00 0.00 51.96 50.33 3ib0 s ALA 412 Cb -0.04 -0.76 -0.12 0.00 0.00 0.00 0.00 23.12 22.21 3ib0 s ALA 412 CO 0.04 0.58 1.57 0.39 0.00 0.00 0.00 175.76 178.34 3ib0 n GLU 413 N 1.38 2.58 -3.98 0.00 1.02 -0.08 0.36 120.64 121.92 3ib0 n GLU 413 Ca -0.16 0.92 -0.30 0.00 -0.02 0.00 0.00 57.16 57.60 3ib0 n GLU 413 Cb 0.52 -2.69 -0.16 0.00 -0.02 0.00 0.00 31.44 29.10 3ib0 n GLU 413 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3ib0 s ASN 414 N 0.52 3.00 0.56 1.62 3.84 0.43 -4.77 114.94 120.14 3ib0 s ASN 414 Ca 0.66 -0.69 -0.00 0.00 0.21 0.00 0.00 52.86 53.04 3ib0 s ASN 414 Cb -0.53 -1.13 0.03 0.00 -0.55 0.00 0.00 41.25 39.07 3ib0 s ASN 414 CO 0.47 -0.12 0.80 0.00 -2.79 0.00 0.00 177.10 175.46 3ib0 s ARG 415 N 1.49 2.55 0.18 0.43 1.70 -1.26 -0.54 118.95 123.49 3ib0 s ARG 415 Ca 0.01 -0.67 -0.33 0.00 -0.47 0.00 0.00 55.73 54.28 3ib0 s ARG 415 Cb -0.15 -2.45 -0.16 0.00 -0.57 0.00 0.00 34.95 31.63 3ib0 s ARG 415 CO -0.09 -0.74 1.15 1.63 -1.08 0.00 0.00 175.30 176.16 3ib0 n LYS 416 N -2.40 1.14 -2.97 3.89 5.02 -1.26 -4.81 118.16 116.77 3ib0 n LYS 416 Ca 0.07 0.41 -0.29 0.00 -2.02 0.00 0.00 58.31 56.48 3ib0 n LYS 416 Cb 0.60 -1.89 -0.02 0.00 -0.02 0.00 0.00 35.03 33.69 3ib0 n LYS 416 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3ib0 s SER 417 N -0.05 6.43 0.42 4.39 1.04 -1.26 -4.95 113.70 119.73 3ib0 s SER 417 Ca 0.73 0.93 0.19 0.00 0.48 0.00 0.00 55.95 58.28 3ib0 s SER 417 Cb -0.85 -2.24 0.95 0.00 0.10 0.00 0.00 66.02 63.97 3ib0 s SER 417 CO 0.53 -0.37 1.88 0.28 0.98 0.00 0.00 173.24 176.54 3ib0 h SER 418 N 1.14 0.00 -4.31 7.02 0.02 -2.03 -3.43 113.55 111.96 3ib0 h SER 418 Ca -0.47 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 59.94 3ib0 h SER 418 Cb 1.19 0.00 -0.29 0.00 0.14 0.00 0.00 62.40 63.45 3ib0 h SER 418 CO 0.64 0.28 -0.83 -1.59 -1.14 0.00 0.00 176.83 174.19 3ib0 s LYS 419 N -4.06 1.36 0.03 3.45 0.00 -1.26 -5.09 119.74 114.17 3ib0 s LYS 419 Ca -0.02 -0.65 -0.32 0.00 0.00 0.00 0.00 55.97 54.98 3ib0 s LYS 419 Cb 0.13 -1.33 -0.17 0.00 0.00 0.00 0.00 37.83 36.46 3ib0 s LYS 419 CO 0.67 0.36 0.83 1.58 0.00 0.00 0.00 175.35 178.79 3ib0 n HIS 420 N 2.54 0.39 -4.23 1.78 -0.00 -1.26 -4.96 115.22 109.48 3ib0 n HIS 420 Ca -0.15 0.88 -0.17 0.00 -0.00 0.00 0.00 57.72 58.28 3ib0 n HIS 420 Cb 0.54 -1.75 -0.15 0.00 -0.00 0.00 0.00 29.99 28.63 3ib0 n HIS 420 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 3ib0 s SER 421 N -0.13 0.80 0.47 0.26 0.15 -1.26 -4.99 113.70 109.00 3ib0 s SER 421 Ca 0.73 -0.12 0.31 0.00 0.70 0.00 0.00 55.95 57.57 3ib0 s SER 421 Cb -1.03 -0.14 1.26 0.00 -1.71 0.00 0.00 66.02 64.41 3ib0 s SER 421 CO 0.48 0.06 1.91 0.77 1.20 0.00 0.00 173.24 177.67 3ib0 h SER 422 N 6.14 0.00 -4.08 5.45 4.64 -2.04 -3.46 113.55 120.20 3ib0 h SER 422 Ca -0.30 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 60.55 3ib0 h SER 422 Cb 1.18 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.30 3ib0 h SER 422 CO 0.50 0.00 0.38 -0.76 -0.87 0.00 0.00 176.83 176.08 3ib0 s LEU 423 N -5.73 3.84 0.51 5.97 1.43 -1.26 -5.01 118.68 118.42 3ib0 s LEU 423 Ca 0.02 1.91 -0.22 0.00 -1.03 0.00 0.00 54.13 54.81 3ib0 s LEU 423 Cb 0.09 -4.56 -0.06 0.00 0.03 0.00 0.00 46.19 41.69 3ib0 s LEU 423 CO 0.51 -0.77 1.26 -0.62 0.23 0.00 0.00 176.35 176.96 3ib0 s ASP 424 N -2.04 5.68 0.28 2.29 2.15 -1.26 -4.76 116.67 119.00 3ib0 s ASP 424 Ca 0.67 2.53 0.02 0.00 0.43 0.00 0.00 52.55 56.19 3ib0 s ASP 424 Cb -0.16 -2.62 0.61 0.00 -0.30 0.00 0.00 42.92 40.45 3ib0 s ASP 424 CO 0.20 -1.27 1.77 0.00 -0.17 0.00 0.00 175.17 175.70 3ib0 h VAL 426 N 0.68 0.15 -0.03 0.00 2.07 -1.91 -2.63 116.25 114.58 3ib0 h VAL 426 Ca 0.51 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.67 3ib0 h VAL 426 Cb 0.74 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 3ib0 h VAL 426 CO -0.37 0.03 0.00 0.18 0.02 0.00 0.00 177.57 177.43 3ib0 n LEU 427 N -3.23 1.96 -4.70 2.57 4.77 0.20 -1.17 117.00 117.40 3ib0 n LEU 427 Ca -0.01 -1.07 -0.42 0.00 -0.03 0.00 0.00 56.01 54.48 3ib0 n LEU 427 Cb 0.21 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.26 3ib0 n LEU 427 CO 0.26 0.39 0.76 -0.60 -1.33 0.00 0.00 177.39 176.86 3ib0 s ARG 428 N -0.90 4.47 0.35 3.23 3.52 -0.13 -4.87 118.95 124.62 3ib0 s ARG 428 Ca 0.13 1.42 -0.28 0.00 -0.13 0.00 0.00 55.73 56.87 3ib0 s ARG 428 Cb 0.09 -3.51 -0.12 0.00 -1.56 0.00 0.00 34.95 29.85 3ib0 s ARG 428 CO 0.14 -0.23 1.44 -2.30 -0.81 0.00 0.00 175.30 173.53 3ib0 n PRO 429 N 4.62 2.50 -1.45 5.12 -0.02 -1.26 -4.91 135.00 139.60 3ib0 n PRO 429 Ca 0.08 0.88 -0.31 0.00 -2.02 0.00 0.00 63.50 62.13 3ib0 n PRO 429 Cb 0.49 -2.57 0.07 0.00 -0.02 0.00 0.00 33.50 31.47 3ib0 n PRO 429 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3ib0 s THR 430 N -0.97 3.66 -0.07 3.45 -4.23 -1.26 -5.05 115.64 111.17 3ib0 s THR 430 Ca 0.55 0.56 0.04 0.00 -1.18 0.00 0.00 61.69 61.66 3ib0 s THR 430 Cb -0.51 -3.16 -0.02 0.00 1.34 0.00 0.00 72.50 70.15 3ib0 s THR 430 CO 0.61 -0.69 -0.19 -1.61 -0.54 0.00 0.00 174.62 172.20 3ib0 s GLU 431 N -4.91 2.71 0.99 3.99 2.02 -1.26 -5.11 118.70 117.12 3ib0 s GLU 431 Ca 0.60 -0.80 -0.12 0.00 0.02 0.00 0.00 54.97 54.67 3ib0 s GLU 431 Cb -0.16 -2.32 0.18 0.00 0.10 0.00 0.00 34.13 31.93 3ib0 s GLU 431 CO 0.54 0.42 1.10 0.20 0.02 0.00 0.00 175.26 177.54 3ib0 s GLY 432 N -0.22 1.57 0.34 -1.39 0.00 -1.26 -4.76 107.32 101.59 3ib0 s GLY 432 Ca -0.01 -0.35 0.03 0.00 0.00 0.00 0.00 44.72 44.40 3ib0 s GLY 432 CO 0.03 0.25 0.50 -2.52 0.00 0.00 0.00 173.10 171.37 3ib0 s TYR 433 N -2.98 3.33 -0.35 1.90 -0.85 -0.58 -4.78 117.35 113.04 3ib0 s TYR 433 Ca 0.65 0.08 -0.15 0.00 -0.52 0.00 0.00 57.07 57.13 3ib0 s TYR 433 Cb -0.18 -1.92 -0.01 0.00 0.38 0.00 0.00 41.96 40.23 3ib0 s TYR 433 CO 0.57 0.07 0.34 -0.51 -1.52 0.00 0.00 175.55 174.51 3ib0 s LEU 434 N -4.24 4.53 0.03 -3.49 1.43 -1.26 0.02 118.68 115.69 3ib0 s LEU 434 Ca 0.41 -0.34 -0.30 0.00 -1.03 0.00 0.00 54.13 52.87 3ib0 s LEU 434 Cb -0.09 -2.30 -0.05 0.00 0.03 0.00 0.00 46.19 43.78 3ib0 s LEU 434 CO 0.33 -0.35 1.14 0.00 0.23 0.00 0.00 176.35 177.71 3ib0 s ALA 435 N 1.95 3.35 0.13 4.21 0.00 -0.30 -0.65 121.76 130.45 3ib0 s ALA 435 Ca 0.10 0.74 0.02 0.00 0.00 0.00 0.00 51.96 52.82 3ib0 s ALA 435 Cb -0.17 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.48 3ib0 s ALA 435 CO 0.12 -0.43 -0.04 0.14 0.00 0.00 0.00 175.76 175.55 3ib0 s VAL 436 N 1.21 0.68 -0.26 0.00 -7.23 0.40 -0.43 120.40 114.77 3ib0 s VAL 436 Ca 0.57 -1.95 -0.03 0.00 -1.81 0.00 0.00 61.98 58.75 3ib0 s VAL 436 Cb -0.27 -1.85 0.02 0.00 0.56 0.00 0.00 36.38 34.84 3ib0 s VAL 436 CO 0.28 -0.72 -0.02 0.00 -0.31 0.00 0.00 175.10 174.33 3ib0 s ALA 437 N -3.64 2.81 -0.07 1.32 0.00 -1.26 -2.16 121.76 118.75 3ib0 s ALA 437 Ca 0.17 -1.48 0.00 0.00 0.00 0.00 0.00 51.96 50.65 3ib0 s ALA 437 Cb 0.06 -1.83 -0.03 0.00 0.00 0.00 0.00 23.12 21.31 3ib0 s ALA 437 CO -0.01 -0.87 -0.05 0.08 0.00 0.00 0.00 175.76 174.90 3ib0 s VAL 438 N 1.37 3.83 0.28 0.00 1.01 -0.12 -0.39 120.40 126.38 3ib0 s VAL 438 Ca 0.00 -0.43 0.02 0.00 0.00 0.00 0.00 61.98 61.58 3ib0 s VAL 438 Cb -0.17 -2.58 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 3ib0 s VAL 438 CO -0.02 0.60 0.12 0.68 0.00 0.00 0.00 175.10 176.48 3ib0 s VAL 439 N -0.80 0.48 0.19 2.92 -7.23 -0.08 -0.75 120.40 115.15 3ib0 s VAL 439 Ca 0.12 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 57.99 3ib0 s VAL 439 Cb -0.11 -2.58 -0.08 0.00 0.56 0.00 0.00 36.38 34.17 3ib0 s VAL 439 CO 0.02 0.00 0.94 -0.54 -0.31 0.00 0.00 175.10 175.21 3ib0 s LYS 440 N -3.94 4.79 0.28 4.82 -0.14 -1.26 -0.98 119.74 123.32 3ib0 s LYS 440 Ca 0.36 1.46 0.01 0.00 -1.36 0.00 0.00 55.97 56.44 3ib0 s LYS 440 Cb 0.07 -3.31 0.52 0.00 -1.68 0.00 0.00 37.83 33.43 3ib0 s LYS 440 CO 0.15 0.42 1.86 -0.22 -0.76 0.00 0.00 175.35 176.80 3ib0 h LYS 441 N 4.64 1.01 0.00 1.68 3.64 -1.18 -1.61 116.57 124.75 3ib0 h LYS 441 Ca -0.44 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 58.87 3ib0 h LYS 441 Cb 1.20 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 32.79 3ib0 h LYS 441 CO 0.69 0.67 -0.04 0.00 -2.27 0.00 0.00 179.45 178.50 3ib0 h ALA 442 N 1.52 1.17 -0.38 5.00 0.00 -1.92 -3.26 119.26 121.38 3ib0 h ALA 442 Ca 0.47 -0.04 -0.71 0.00 0.00 0.00 0.00 54.91 54.63 3ib0 h ALA 442 Cb 0.39 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.10 3ib0 h ALA 442 CO -0.23 0.05 2.71 -1.71 0.00 0.00 0.00 179.25 180.08 3ib0 n ASN 443 N -3.38 4.32 -4.78 0.00 2.85 -0.61 -4.97 115.26 108.71 3ib0 n ASN 443 Ca -0.02 -2.90 -0.36 0.00 -0.11 0.00 0.00 54.58 51.19 3ib0 n ASN 443 Cb 0.17 -1.64 -0.01 0.00 1.24 0.00 0.00 39.78 39.54 3ib0 n ASN 443 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 3ib0 s GLU 444 N 2.88 3.55 0.00 1.20 2.02 -1.23 -3.02 118.70 124.10 3ib0 s GLU 444 Ca 0.47 1.63 0.00 0.00 0.02 0.00 0.00 54.97 57.09 3ib0 s GLU 444 Cb 0.11 -2.16 0.00 0.00 0.10 0.00 0.00 34.13 32.18 3ib0 s GLU 444 CO -0.04 -0.69 0.00 0.41 0.02 0.00 0.00 175.26 174.96 3ib0 n GLY 445 N 0.22 2.56 3.68 -1.39 0.00 -1.26 -4.98 105.19 104.02 3ib0 n GLY 445 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 3ib0 n GLY 445 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ib0 s LEU 446 N 0.00 4.26 0.33 0.99 2.96 -1.17 -4.89 118.68 121.15 3ib0 s LEU 446 Ca 0.00 1.78 0.04 0.00 -0.22 0.00 0.00 54.13 55.73 3ib0 s LEU 446 Cb 0.00 -3.55 -0.03 0.00 0.50 0.00 0.00 46.19 43.10 3ib0 s LEU 446 CO 0.00 -0.61 0.17 0.42 -1.32 0.00 0.00 176.35 175.00 3ib0 s THR 447 N 2.46 0.34 0.36 3.68 -4.23 -1.26 -4.94 115.64 112.05 3ib0 s THR 447 Ca 0.55 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 59.18 3ib0 s THR 447 Cb -0.24 -2.49 0.34 0.00 1.34 0.00 0.00 72.50 71.46 3ib0 s THR 447 CO 0.20 0.00 1.81 -0.25 -0.54 0.00 0.00 174.62 175.85 3ib0 h TRP 448 N 2.13 0.80 -0.00 3.99 2.91 -1.82 -1.06 115.95 122.90 3ib0 h TRP 448 Ca -0.33 0.03 0.00 0.00 1.13 0.00 0.00 58.89 59.72 3ib0 h TRP 448 Cb 1.25 -0.24 0.00 0.00 -0.51 0.00 0.00 29.16 29.66 3ib0 h TRP 448 CO 1.19 0.19 -0.02 0.09 -1.03 0.00 0.00 178.44 178.86 3ib0 n ASN 449 N -4.63 0.10 -0.29 2.65 3.02 -1.26 -3.24 115.26 111.61 3ib0 n ASN 449 Ca 0.21 -0.52 0.08 0.00 -0.03 0.00 0.00 54.58 54.33 3ib0 n ASN 449 Cb 0.65 -0.15 0.17 0.00 -0.61 0.00 0.00 39.78 39.83 3ib0 n ASN 449 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3ib0 n SER 450 N -1.11 2.07 0.19 6.41 3.41 -0.41 -4.75 113.62 119.43 3ib0 n SER 450 Ca 0.18 -3.41 0.05 0.00 -0.26 0.00 0.00 58.87 55.42 3ib0 n SER 450 Cb 0.21 -0.47 0.37 0.00 -0.26 0.00 0.00 64.21 64.06 3ib0 n SER 450 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3ib0 h LEU 451 N 0.41 0.00 -9.49 1.04 3.38 -1.52 -3.44 115.31 105.69 3ib0 h LEU 451 Ca -0.00 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.36 3ib0 h LEU 451 Cb 1.01 0.00 0.08 0.00 0.09 0.00 0.00 40.66 41.84 3ib0 h LEU 451 CO 0.00 0.37 0.45 1.17 0.09 0.00 0.00 178.44 180.52 3ib0 n LYS 452 N -3.71 1.67 -0.95 1.13 4.81 -1.26 -1.32 118.16 118.53 3ib0 n LYS 452 Ca -0.01 0.59 0.00 0.00 -0.87 0.00 0.00 58.31 58.02 3ib0 n LYS 452 Cb 0.46 -2.17 0.00 0.00 0.02 0.00 0.00 35.03 33.34 3ib0 n LYS 452 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3ib0 n ASP 453 N 2.00 -3.49 -4.68 3.14 8.00 0.11 -4.94 116.55 116.69 3ib0 n ASP 453 Ca 0.12 0.00 -0.23 0.00 0.71 0.00 0.00 54.79 55.39 3ib0 n ASP 453 Cb 0.29 -1.75 0.11 0.00 -0.02 0.00 0.00 41.12 39.75 3ib0 n ASP 453 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3ib0 s LYS 454 N -0.84 1.69 -0.18 -1.24 -0.14 -0.44 -3.72 119.74 114.88 3ib0 s LYS 454 Ca 0.00 -1.12 -0.09 0.00 -1.36 0.00 0.00 55.97 53.41 3ib0 s LYS 454 Cb 0.00 -2.34 -0.05 0.00 -1.68 0.00 0.00 37.83 33.77 3ib0 s LYS 454 CO 0.00 -1.43 0.11 0.15 -0.76 0.00 0.00 175.35 173.42 3ib0 s LYS 455 N -5.13 3.95 0.12 1.68 1.02 -1.26 -0.82 119.74 119.29 3ib0 s LYS 455 Ca 0.66 -0.23 0.09 0.00 0.02 0.00 0.00 55.97 56.52 3ib0 s LYS 455 Cb -0.05 -3.31 -0.04 0.00 -0.52 0.00 0.00 37.83 33.91 3ib0 s LYS 455 CO 0.44 0.41 -0.23 -1.54 -0.92 0.00 0.00 175.35 173.51 3ib0 s SER 456 N 0.02 2.89 -0.14 2.83 1.04 -0.65 0.30 113.70 119.98 3ib0 s SER 456 Ca 0.09 -0.72 0.01 0.00 0.48 0.00 0.00 55.95 55.81 3ib0 s SER 456 Cb -0.11 -0.18 0.02 0.00 0.10 0.00 0.00 66.02 65.85 3ib0 s SER 456 CO -0.00 0.11 -0.18 0.00 0.98 0.00 0.00 173.24 174.15 3ib0 s HIS 458 N 1.17 2.29 0.10 0.00 3.76 -0.01 -1.14 115.29 121.45 3ib0 s HIS 458 Ca -0.01 -0.40 -0.29 0.00 -0.15 0.00 0.00 55.06 54.21 3ib0 s HIS 458 Cb -0.14 -1.33 -0.13 0.00 1.11 0.00 0.00 32.58 32.10 3ib0 s HIS 458 CO -0.07 0.19 1.63 1.79 -0.85 0.00 0.00 174.74 177.44 3ib0 h THR 459 N 4.12 0.40 -1.74 1.30 1.35 -1.74 -3.40 112.91 113.20 3ib0 h THR 459 Ca -0.48 0.00 0.17 0.00 -0.55 0.00 0.00 66.41 65.55 3ib0 h THR 459 Cb 1.15 0.40 -0.19 0.00 -1.73 0.00 0.00 68.15 67.78 3ib0 h THR 459 CO 0.42 0.00 0.66 0.00 -0.25 0.00 0.00 175.52 176.35 3ib0 s ALA 460 N -6.05 -1.96 0.41 6.62 0.00 -1.26 -1.17 121.76 118.34 3ib0 s ALA 460 Ca -0.16 1.42 -0.26 0.00 0.00 0.00 0.00 51.96 52.96 3ib0 s ALA 460 Cb 0.06 -0.14 -0.10 0.00 0.00 0.00 0.00 23.12 22.94 3ib0 s ALA 460 CO 0.64 -0.55 1.28 0.28 0.00 0.00 0.00 175.76 177.42 3ib0 n VAL 461 N 0.05 2.49 -0.50 0.00 0.31 0.31 -2.70 118.33 118.28 3ib0 n VAL 461 Ca -0.05 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.78 3ib0 n VAL 461 Cb 0.59 -1.59 0.00 0.00 -0.91 0.00 0.00 33.84 31.93 3ib0 n VAL 461 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 3ib0 n ASP 462 N 0.26 0.00 -4.90 4.52 8.00 -1.26 -4.95 116.55 118.22 3ib0 n ASP 462 Ca 0.06 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.28 3ib0 n ASP 462 Cb 0.39 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.47 3ib0 n ASP 462 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3ib0 s ARG 463 N -0.07 3.63 0.00 -1.24 0.52 -1.10 -3.87 118.95 116.83 3ib0 s ARG 463 Ca 0.00 0.19 -0.04 0.00 -0.52 0.00 0.00 55.73 55.35 3ib0 s ARG 463 Cb 0.00 -2.47 -0.02 0.00 0.52 0.00 0.00 34.95 32.98 3ib0 s ARG 463 CO 0.00 -0.02 0.91 1.15 0.02 0.00 0.00 175.30 177.35 3ib0 h THR 464 N 0.80 0.00 -0.10 0.02 2.02 -1.92 0.12 112.91 113.85 3ib0 h THR 464 Ca -0.47 -0.02 -0.15 0.00 0.77 0.00 0.00 66.41 66.53 3ib0 h THR 464 Cb 1.20 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.60 3ib0 h THR 464 CO 0.63 0.00 -0.61 0.00 0.37 0.00 0.00 175.52 175.92 3ib0 h ALA 465 N -1.91 0.78 0.00 6.16 0.00 -1.91 -1.31 119.26 121.08 3ib0 h ALA 465 Ca -0.02 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.35 3ib0 h ALA 465 Cb 0.12 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3ib0 h ALA 465 CO 0.03 0.72 0.00 0.78 0.00 0.00 0.00 179.25 180.78 3ib0 h GLY 466 N 1.35 0.00 0.00 0.00 0.00 -1.67 -3.38 103.07 99.37 3ib0 h GLY 466 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 3ib0 h GLY 466 CO 0.10 0.00 0.00 1.87 0.00 0.00 0.00 176.54 178.51 3ib0 n TRP 467 N -2.78 -2.62 -0.14 5.60 -0.00 -0.60 -4.24 117.44 112.66 3ib0 n TRP 467 Ca 0.04 0.60 -0.08 0.00 -0.00 0.00 0.00 57.50 58.07 3ib0 n TRP 467 Cb 0.49 1.27 0.01 0.00 -0.00 0.00 0.00 31.31 33.08 3ib0 n TRP 467 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 177.69 176.78 3ib0 h ASN 468 N 0.00 0.53 0.50 5.87 2.35 -0.61 0.13 115.58 124.35 3ib0 h ASN 468 Ca 0.00 -0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 55.67 3ib0 h ASN 468 Cb 0.00 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.24 3ib0 h ASN 468 CO 0.00 0.43 -0.24 0.40 -1.65 0.00 0.00 177.43 176.37 3ib0 h ILE 469 N 0.58 0.19 -0.49 2.81 1.08 -1.47 -0.94 117.51 119.27 3ib0 h ILE 469 Ca 0.16 -0.51 -0.07 0.00 -0.39 0.00 0.00 64.86 64.05 3ib0 h ILE 469 Cb 0.00 0.29 -0.02 0.00 -3.07 0.00 0.00 36.82 34.03 3ib0 h ILE 469 CO -0.03 0.04 0.04 1.55 -0.69 0.00 0.00 178.15 179.06 3ib0 h PRO 470 N -1.10 0.84 -0.13 2.37 0.13 -1.76 -0.91 132.00 131.44 3ib0 h PRO 470 Ca -0.07 -0.25 -0.13 0.00 -0.87 0.00 0.00 66.00 64.69 3ib0 h PRO 470 Cb 0.57 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 31.61 3ib0 h PRO 470 CO 0.11 0.86 -0.48 0.52 -0.23 0.00 0.00 178.00 178.78 3ib0 h MET 471 N 0.70 0.34 -0.46 0.86 2.86 -0.86 0.13 114.93 118.51 3ib0 h MET 471 Ca 0.14 -0.19 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 3ib0 h MET 471 Cb 0.45 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.10 3ib0 h MET 471 CO 0.02 0.74 0.23 0.78 1.06 0.00 0.00 176.91 179.74 3ib0 h GLY 472 N 1.24 0.70 0.98 8.32 0.00 -0.89 0.20 103.07 113.62 3ib0 h GLY 472 Ca 0.02 -0.34 -0.04 0.00 0.00 0.00 0.00 47.33 46.97 3ib0 h GLY 472 CO 0.08 0.32 0.20 1.41 0.00 0.00 0.00 176.54 178.55 3ib0 h LEU 473 N 0.60 0.77 -0.33 3.11 3.38 -0.91 -2.06 115.31 119.86 3ib0 h LEU 473 Ca 0.16 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 3ib0 h LEU 473 Cb 0.10 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3ib0 h LEU 473 CO -0.02 0.74 -0.00 0.40 0.09 0.00 0.00 178.44 179.65 3ib0 h ILE 474 N 0.75 1.26 -0.39 1.22 2.04 -0.58 -0.87 117.51 120.93 3ib0 h ILE 474 Ca 0.18 -0.97 0.06 0.00 1.00 0.00 0.00 64.86 65.13 3ib0 h ILE 474 Cb 0.23 1.24 -0.05 0.00 -0.74 0.00 0.00 36.82 37.49 3ib0 h ILE 474 CO -0.01 0.32 0.07 0.58 0.00 0.00 0.00 178.15 179.10 3ib0 h VAL 475 N 0.39 0.79 0.16 1.67 2.07 -0.58 -0.54 116.25 120.21 3ib0 h VAL 475 Ca 0.09 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.54 3ib0 h VAL 475 Cb 0.45 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 3ib0 h VAL 475 CO 0.02 0.03 -0.08 0.78 0.02 0.00 0.00 177.57 178.35 3ib0 h ASN 476 N 0.19 -0.18 0.18 0.57 2.35 -1.16 0.43 115.58 117.96 3ib0 h ASN 476 Ca 0.19 -0.04 -0.07 0.00 -0.55 0.00 0.00 56.30 55.83 3ib0 h ASN 476 Cb 0.23 0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 3ib0 h ASN 476 CO -0.25 -0.08 -0.27 1.56 -1.65 0.00 0.00 177.43 176.73 3ib0 h GLN 477 N -0.26 0.16 0.00 0.81 4.20 -1.01 -2.35 115.11 116.65 3ib0 h GLN 477 Ca -0.02 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.64 3ib0 h GLN 477 Cb 0.20 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.97 3ib0 h GLN 477 CO 0.04 0.42 -0.47 0.25 -0.67 0.00 0.00 178.83 178.40 3ib0 n THR 478 N -4.17 0.12 -2.12 -0.54 -2.24 -0.22 -4.92 114.28 100.19 3ib0 n THR 478 Ca -0.01 -0.09 -0.19 0.00 -2.27 0.00 0.00 64.05 61.49 3ib0 n THR 478 Cb 0.36 0.03 -0.03 0.00 -2.10 0.00 0.00 70.33 68.58 3ib0 n THR 478 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ib0 n GLY 479 N 1.45 0.28 3.02 3.38 0.00 0.11 -4.97 105.19 108.46 3ib0 n GLY 479 Ca 0.05 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.90 3ib0 n GLY 479 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ib0 s SER 480 N -2.24 0.92 0.00 1.61 0.15 -1.00 -5.02 113.70 108.12 3ib0 s SER 480 Ca 0.00 -0.25 0.24 0.00 0.70 0.00 0.00 55.95 56.64 3ib0 s SER 480 Cb 0.00 -0.07 0.97 0.00 -1.71 0.00 0.00 66.02 65.22 3ib0 s SER 480 CO 0.00 0.02 1.68 0.00 1.20 0.00 0.00 173.24 176.14 3ib0 n ALA 482 N 0.09 6.22 0.24 0.00 0.00 -1.26 -4.52 120.51 121.28 3ib0 n ALA 482 Ca 0.18 -2.12 0.08 0.00 0.00 0.00 0.00 53.44 51.58 3ib0 n ALA 482 Cb 0.31 -2.15 0.39 0.00 0.00 0.00 0.00 19.45 18.00 3ib0 n ALA 482 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 3ib0 n PHE 483 N 1.83 0.48 1.53 0.00 -1.74 -1.26 -1.36 117.46 116.94 3ib0 n PHE 483 Ca 0.42 0.23 0.15 0.00 -0.56 0.00 0.00 57.45 57.68 3ib0 n PHE 483 Cb 0.76 -0.86 0.73 0.00 1.52 0.00 0.00 39.48 41.63 3ib0 n PHE 483 CO 0.00 0.00 0.00 -0.40 -0.56 0.00 0.00 176.76 175.80 3ib0 n ASP 484 N -1.98 0.23 0.00 5.98 5.75 -1.26 -3.38 116.55 121.90 3ib0 n ASP 484 Ca 0.01 -0.52 0.00 0.00 -0.01 0.00 0.00 54.79 54.26 3ib0 n ASP 484 Cb 0.10 -0.14 0.00 0.00 -1.03 0.00 0.00 41.12 40.05 3ib0 n ASP 484 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3ib0 n GLU 485 N -1.05 1.88 0.07 0.11 1.02 -0.47 -4.73 120.64 117.47 3ib0 n GLU 485 Ca 0.16 -1.18 -0.10 0.00 -0.02 0.00 0.00 57.16 56.02 3ib0 n GLU 485 Cb 0.23 -0.94 -0.07 0.00 -0.02 0.00 0.00 31.44 30.64 3ib0 n GLU 485 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 3ib0 h PHE 486 N 0.00 -0.24 -3.64 -0.32 3.57 -1.57 -3.45 116.94 111.30 3ib0 h PHE 486 Ca 0.00 -0.01 -0.51 0.00 3.53 0.00 0.00 57.97 60.99 3ib0 h PHE 486 Cb 0.45 0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.24 3ib0 h PHE 486 CO 0.00 0.17 0.14 -0.06 -2.23 0.00 0.00 178.31 176.33 3ib0 s PHE 487 N -3.43 3.62 0.17 0.41 0.08 -1.26 -0.71 117.98 116.86 3ib0 s PHE 487 Ca -0.12 1.43 -0.14 0.00 0.12 0.00 0.00 56.93 58.21 3ib0 s PHE 487 Cb 0.01 -2.65 0.06 0.00 -0.57 0.00 0.00 43.02 39.86 3ib0 s PHE 487 CO 0.45 0.28 1.82 0.66 -0.10 0.00 0.00 175.22 178.33 3ib0 h SER 488 N 3.22 0.61 -5.07 1.36 4.64 -1.06 -3.45 113.55 113.81 3ib0 h SER 488 Ca -0.48 -0.03 -0.09 0.00 -0.47 0.00 0.00 61.79 60.72 3ib0 h SER 488 Cb 1.19 -0.15 -0.16 0.00 -0.31 0.00 0.00 62.40 62.96 3ib0 h SER 488 CO 0.65 0.46 -0.27 -1.10 -0.87 0.00 0.00 176.83 175.70 3ib0 s GLN 489 N -6.09 0.81 0.20 4.77 -0.21 -1.25 -4.89 119.66 113.00 3ib0 s GLN 489 Ca -0.13 -0.58 -0.09 0.00 0.02 0.00 0.00 55.36 54.59 3ib0 s GLN 489 Cb 0.12 0.35 -0.01 0.00 1.00 0.00 0.00 33.01 34.46 3ib0 s GLN 489 CO 0.75 -0.26 0.31 -1.12 -2.12 0.00 0.00 175.29 172.85 3ib0 s SER 490 N -2.18 0.02 -0.29 5.90 0.01 0.16 -1.64 113.70 115.68 3ib0 s SER 490 Ca -0.04 -0.99 -0.02 0.00 1.31 0.00 0.00 55.95 56.22 3ib0 s SER 490 Cb -0.00 0.47 0.05 0.00 0.21 0.00 0.00 66.02 66.75 3ib0 s SER 490 CO -0.05 -0.96 -0.01 0.00 0.41 0.00 0.00 173.24 172.64 3ib0 s ALA 492 N 1.26 2.21 0.18 0.00 0.00 0.52 -0.83 121.76 125.10 3ib0 s ALA 492 Ca -0.05 -2.83 -0.33 0.00 0.00 0.00 0.00 51.96 48.76 3ib0 s ALA 492 Cb -0.19 -1.82 -0.15 0.00 0.00 0.00 0.00 23.12 20.96 3ib0 s ALA 492 CO -0.01 -2.04 1.30 -2.30 0.00 0.00 0.00 175.76 172.71 3ib0 n PRO 493 N 2.85 1.53 0.00 0.00 -0.02 -1.26 -1.64 135.00 136.45 3ib0 n PRO 493 Ca 0.21 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 3ib0 n PRO 493 Cb 0.40 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 3ib0 n PRO 493 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ib0 n GLY 494 N 2.25 2.72 3.89 -1.23 0.00 0.49 -0.53 105.19 112.78 3ib0 n GLY 494 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 3ib0 n GLY 494 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ib0 s ALA 495 N -2.58 2.08 0.01 4.61 0.00 -0.65 -4.95 121.76 120.27 3ib0 s ALA 495 Ca 0.00 -1.11 -0.30 0.00 0.00 0.00 0.00 51.96 50.55 3ib0 s ALA 495 Cb 0.00 -2.81 -0.07 0.00 0.00 0.00 0.00 23.12 20.24 3ib0 s ALA 495 CO 0.00 -2.50 1.77 0.34 0.00 0.00 0.00 175.76 175.38 3ib0 s ASP 496 N -4.74 6.57 0.63 0.00 -1.08 -1.26 -4.87 116.67 111.91 3ib0 s ASP 496 Ca 0.72 2.46 0.37 0.00 -0.52 0.00 0.00 52.55 55.59 3ib0 s ASP 496 Cb -0.05 -2.54 2.12 0.00 -1.46 0.00 0.00 42.92 40.98 3ib0 s ASP 496 CO 0.53 -0.97 2.31 -0.65 0.52 0.00 0.00 175.17 176.91 3ib0 h PRO 497 N 9.64 0.00 -0.01 4.34 0.11 -1.92 -0.58 132.00 143.57 3ib0 h PRO 497 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3ib0 h PRO 497 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3ib0 h PRO 497 CO 0.94 0.00 -0.13 0.36 -0.21 0.00 0.00 178.00 178.96 3ib0 n LYS 498 N -3.48 1.36 -2.46 1.05 2.85 -1.26 -4.69 118.16 111.53 3ib0 n LYS 498 Ca -0.03 -0.86 -0.24 0.00 -1.05 0.00 0.00 58.31 56.13 3ib0 n LYS 498 Cb 0.08 -1.48 0.04 0.00 -0.65 0.00 0.00 35.03 33.02 3ib0 n LYS 498 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 3ib0 s SER 499 N -2.23 5.22 0.53 -5.58 1.04 -0.23 -4.96 113.70 107.50 3ib0 s SER 499 Ca 0.30 0.35 0.20 0.00 0.48 0.00 0.00 55.95 57.28 3ib0 s SER 499 Cb 0.20 -1.20 1.38 0.00 0.10 0.00 0.00 66.02 66.50 3ib0 s SER 499 CO 0.42 -1.25 2.15 0.03 0.98 0.00 0.00 173.24 175.57 3ib0 h ARG 500 N -0.20 0.00 0.00 4.02 3.08 -1.88 -1.69 114.38 117.70 3ib0 h ARG 500 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.61 3ib0 h ARG 500 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.34 3ib0 h ARG 500 CO 0.58 0.03 0.00 -0.07 -1.07 0.00 0.00 179.97 179.43 3ib0 h LEU 501 N 0.00 0.00 -1.53 3.04 3.38 -1.85 0.59 115.31 118.94 3ib0 h LEU 501 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ib0 h LEU 501 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3ib0 h LEU 501 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.53 3ib0 h ALA 503 N 1.28 1.65 -0.01 0.00 0.00 -0.88 -1.74 119.26 119.56 3ib0 h ALA 503 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3ib0 h ALA 503 Cb 0.33 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3ib0 h ALA 503 CO 0.00 0.11 -0.48 1.28 0.00 0.00 0.00 179.25 180.15 3ib0 n LEU 504 N -4.13 1.02 -4.77 0.00 4.77 0.19 -4.93 117.00 109.15 3ib0 n LEU 504 Ca -0.03 -0.30 -0.34 0.00 -0.03 0.00 0.00 56.01 55.31 3ib0 n LEU 504 Cb 0.17 -0.12 0.03 0.00 -2.33 0.00 0.00 43.42 41.16 3ib0 n LEU 504 CO 0.32 0.21 0.78 0.00 -1.33 0.00 0.00 177.39 177.37 3ib0 n ALA 506 N -1.80 2.00 -0.53 0.00 0.00 -1.26 -4.80 120.51 114.12 3ib0 n ALA 506 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 3ib0 n ALA 506 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 3ib0 n ALA 506 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ib0 n GLY 507 N 1.29 0.25 0.00 0.00 0.00 -1.26 -4.50 105.19 100.96 3ib0 n GLY 507 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.13 3ib0 n GLY 507 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ib0 n ASP 508 N -1.20 0.00 -0.34 1.61 5.68 0.05 -1.07 116.55 121.28 3ib0 n ASP 508 Ca 0.00 -0.47 0.09 0.00 -0.50 0.00 0.00 54.79 53.91 3ib0 n ASP 508 Cb 0.00 0.00 0.27 0.00 -1.14 0.00 0.00 41.12 40.25 3ib0 n ASP 508 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 3ib0 h ASP 509 N 0.00 0.78 -0.09 -1.12 3.32 -1.89 0.14 116.42 117.56 3ib0 h ASP 509 Ca 0.00 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.13 3ib0 h ASP 509 Cb 0.00 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.48 3ib0 h ASP 509 CO 0.00 0.34 0.00 0.00 -1.72 0.00 0.00 179.24 177.86 3ib0 n GLN 510 N -4.74 1.63 -0.99 3.56 6.02 -1.26 -4.93 117.38 116.67 3ib0 n GLN 510 Ca 0.20 -0.94 0.00 0.00 -0.01 0.00 0.00 57.00 56.25 3ib0 n GLN 510 Cb 0.46 -1.43 0.00 0.00 1.02 0.00 0.00 30.24 30.29 3ib0 n GLN 510 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ib0 n GLY 511 N 1.13 0.32 3.93 1.08 0.00 0.49 -4.99 105.19 107.14 3ib0 n GLY 511 Ca 0.18 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 3ib0 n GLY 511 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ib0 s LEU 512 N 0.00 3.51 -1.38 0.99 1.43 -1.26 -4.36 118.68 117.61 3ib0 s LEU 512 Ca 0.00 0.57 0.00 0.00 -1.03 0.00 0.00 54.13 53.67 3ib0 s LEU 512 Cb 0.00 -3.45 0.00 0.00 0.03 0.00 0.00 46.19 42.77 3ib0 s LEU 512 CO 0.00 -0.79 0.00 0.47 0.23 0.00 0.00 176.35 176.26 3ib0 n ASP 513 N -2.28 -4.80 -4.66 2.29 8.00 -1.26 -0.77 116.55 113.08 3ib0 n ASP 513 Ca 0.02 -0.01 -0.44 0.00 0.71 0.00 0.00 54.79 55.07 3ib0 n ASP 513 Cb 0.57 -3.91 -0.04 0.00 -0.02 0.00 0.00 41.12 37.73 3ib0 n ASP 513 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 3ib0 n LYS 514 N -2.54 2.59 -1.02 -1.24 4.81 -1.26 -1.94 118.16 117.55 3ib0 n LYS 514 Ca -0.19 0.94 -0.01 0.00 -0.87 0.00 0.00 58.31 58.18 3ib0 n LYS 514 Cb 0.64 -2.91 -0.00 0.00 0.02 0.00 0.00 35.03 32.78 3ib0 n LYS 514 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3ib0 s VAL 516 N -1.87 2.75 -1.30 0.00 -7.23 -0.82 -0.38 120.40 111.55 3ib0 s VAL 516 Ca 0.00 0.57 -0.07 0.00 -1.81 0.00 0.00 61.98 60.68 3ib0 s VAL 516 Cb 0.00 -3.30 0.14 0.00 0.56 0.00 0.00 36.38 33.79 3ib0 s VAL 516 CO 0.00 0.00 2.18 -0.81 -0.31 0.00 0.00 175.10 176.17 3ib0 n PRO 517 N -0.57 4.28 -4.01 4.82 -0.04 -1.26 -4.55 135.00 133.66 3ib0 n PRO 517 Ca 0.08 -3.53 -0.09 0.00 -0.04 0.00 0.00 63.50 59.92 3ib0 n PRO 517 Cb 0.47 -2.72 -0.05 0.00 -0.04 0.00 0.00 33.50 31.15 3ib0 n PRO 517 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3ib0 s ASN 518 N 0.45 -0.05 0.00 3.54 2.20 -1.26 -4.48 114.94 115.34 3ib0 s ASN 518 Ca 0.48 -0.97 0.00 0.00 -0.94 0.00 0.00 52.86 51.43 3ib0 s ASN 518 Cb 0.15 0.58 0.00 0.00 -2.00 0.00 0.00 41.25 39.99 3ib0 s ASN 518 CO -0.06 -1.14 0.93 -1.54 -2.94 0.00 0.00 177.10 172.35 3ib0 n SER 519 N -0.43 0.00 -0.00 3.54 3.41 -1.26 -1.74 113.62 117.14 3ib0 n SER 519 Ca -0.01 0.43 -0.05 0.00 -0.26 0.00 0.00 58.87 58.97 3ib0 n SER 519 Cb 0.62 -0.43 0.16 0.00 -0.26 0.00 0.00 64.21 64.30 3ib0 n SER 519 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3ib0 h LYS 520 N 0.00 0.54 -6.32 4.33 1.79 -1.94 -3.41 116.57 111.56 3ib0 h LYS 520 Ca 0.00 -0.22 -0.55 0.00 -2.18 0.00 0.00 60.65 57.70 3ib0 h LYS 520 Cb 0.04 -0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 30.67 3ib0 h LYS 520 CO 0.00 0.77 0.96 -2.00 -1.08 0.00 0.00 179.45 178.11 3ib0 s GLU 521 N -4.44 4.22 0.30 3.15 2.56 -0.71 -3.25 118.70 120.53 3ib0 s GLU 521 Ca -0.07 2.08 0.05 0.00 0.00 0.00 0.00 54.97 57.03 3ib0 s GLU 521 Cb 0.13 -3.75 0.75 0.00 2.00 0.00 0.00 34.13 33.26 3ib0 s GLU 521 CO 0.81 -0.72 1.72 -0.22 -0.56 0.00 0.00 175.26 176.29 3ib0 h LYS 522 N 8.60 0.49 -0.55 4.30 3.64 -1.34 -1.51 116.57 130.20 3ib0 h LYS 522 Ca -0.38 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 58.93 3ib0 h LYS 522 Cb 1.17 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.86 3ib0 h LYS 522 CO 0.93 0.32 0.05 0.66 -2.27 0.00 0.00 179.45 179.15 3ib0 n TYR 523 N -4.96 1.94 -2.43 1.91 4.01 -1.26 -4.44 117.16 111.93 3ib0 n TYR 523 Ca 0.23 -0.86 -0.39 0.00 -0.16 0.00 0.00 57.90 56.72 3ib0 n TYR 523 Cb 0.65 -0.51 -0.04 0.00 -0.31 0.00 0.00 39.34 39.13 3ib0 n TYR 523 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 3ib0 s TYR 524 N -2.84 3.37 0.00 -0.72 5.04 -0.57 -2.36 117.35 119.28 3ib0 s TYR 524 Ca 0.53 1.64 0.00 0.00 -2.44 0.00 0.00 57.07 56.79 3ib0 s TYR 524 Cb 0.41 -3.30 0.00 0.00 0.35 0.00 0.00 41.96 39.42 3ib0 s TYR 524 CO 0.14 -0.81 0.00 0.41 -1.34 0.00 0.00 175.55 173.95 3ib0 n GLY 525 N 0.88 -2.23 0.20 8.97 0.00 -0.32 -1.67 105.19 111.02 3ib0 n GLY 525 Ca 0.01 -1.51 -0.09 0.00 0.00 0.00 0.00 46.02 44.44 3ib0 n GLY 525 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3ib0 h TYR 526 N 0.00 -0.40 -0.36 1.61 0.05 -1.92 -0.04 116.97 115.91 3ib0 h TYR 526 Ca 0.00 0.03 -0.12 0.00 0.05 0.00 0.00 58.73 58.68 3ib0 h TYR 526 Cb 0.00 0.20 -0.01 0.00 1.01 0.00 0.00 36.73 37.94 3ib0 h TYR 526 CO 0.00 -0.23 -0.25 1.15 -1.05 0.00 0.00 178.16 177.78 3ib0 h THR 527 N -0.18 1.28 -0.45 -2.88 2.02 -1.92 -1.55 112.91 109.23 3ib0 h THR 527 Ca 0.11 -1.40 -0.03 0.00 0.77 0.00 0.00 66.41 65.85 3ib0 h THR 527 Cb 0.34 1.39 -0.02 0.00 -1.74 0.00 0.00 68.15 68.12 3ib0 h THR 527 CO -0.27 0.46 0.17 1.23 0.37 0.00 0.00 175.52 177.48 3ib0 h GLY 528 N 0.61 0.73 1.13 2.16 0.00 -1.18 0.18 103.07 106.70 3ib0 h GLY 528 Ca 0.07 -0.41 -0.10 0.00 0.00 0.00 0.00 47.33 46.89 3ib0 h GLY 528 CO 0.07 0.39 -0.05 0.00 0.00 0.00 0.00 176.54 176.95 3ib0 h ALA 529 N 1.01 0.83 -0.71 3.60 0.00 -0.61 -0.20 119.26 123.19 3ib0 h ALA 529 Ca 0.15 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 3ib0 h ALA 529 Cb 0.22 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3ib0 h ALA 529 CO -0.01 0.67 0.26 0.35 0.00 0.00 0.00 179.25 180.52 3ib0 h PHE 530 N 0.93 1.08 -0.61 0.00 3.57 -1.11 -2.38 116.94 118.43 3ib0 h PHE 530 Ca 0.16 -0.08 -0.05 0.00 3.53 0.00 0.00 57.97 61.53 3ib0 h PHE 530 Cb 0.61 -0.32 -0.03 0.00 2.79 0.00 0.00 35.95 39.00 3ib0 h PHE 530 CO 0.04 0.84 0.18 -0.09 -2.23 0.00 0.00 178.31 177.05 3ib0 h ARG 531 N 1.03 0.92 -0.99 1.11 2.43 -0.49 0.19 114.38 118.58 3ib0 h ARG 531 Ca 0.24 -0.18 0.04 0.00 -0.81 0.00 0.00 59.98 59.27 3ib0 h ARG 531 Cb 0.23 -0.14 -0.06 0.00 -0.42 0.00 0.00 29.97 29.58 3ib0 h ARG 531 CO -0.02 0.79 0.65 0.00 -1.51 0.00 0.00 179.97 179.89 3ib0 h LEU 533 N 1.23 0.45 -1.02 0.00 5.85 -0.93 -0.40 115.31 120.49 3ib0 h LEU 533 Ca 0.40 -0.63 0.07 0.00 0.84 0.00 0.00 57.88 58.57 3ib0 h LEU 533 Cb 0.05 -0.13 -0.07 0.00 0.37 0.00 0.00 40.66 40.88 3ib0 h LEU 533 CO -0.14 1.00 0.65 0.00 -0.34 0.00 0.00 178.44 179.61 3ib0 h ALA 534 N 0.46 1.42 -0.08 1.25 0.00 -0.03 0.40 119.26 122.69 3ib0 h ALA 534 Ca -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3ib0 h ALA 534 Cb 0.97 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3ib0 h ALA 534 CO 0.07 0.42 0.00 0.39 0.00 0.00 0.00 179.25 180.13 3ib0 n GLU 535 N -4.51 1.30 -1.87 0.00 1.02 -0.01 -4.89 120.64 111.69 3ib0 n GLU 535 Ca 0.16 -0.46 -0.19 0.00 -0.02 0.00 0.00 57.16 56.65 3ib0 n GLU 535 Cb 0.20 -1.31 -0.05 0.00 -0.02 0.00 0.00 31.44 30.26 3ib0 n GLU 535 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3ib0 n ASP 536 N -0.31 -5.44 -0.10 1.62 8.00 0.13 -4.87 116.55 115.59 3ib0 n ASP 536 Ca 0.14 0.29 -0.13 0.00 0.71 0.00 0.00 54.79 55.80 3ib0 n ASP 536 Cb 0.17 -4.58 -0.04 0.00 -0.02 0.00 0.00 41.12 36.65 3ib0 n ASP 536 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3ib0 h VAL 537 N 0.00 1.30 -1.94 2.53 2.07 -1.31 -3.45 116.25 115.44 3ib0 h VAL 537 Ca -0.42 -1.39 -0.56 0.00 0.82 0.00 0.00 66.70 65.15 3ib0 h VAL 537 Cb 1.30 1.50 -0.09 0.00 -1.52 0.00 0.00 31.29 32.48 3ib0 h VAL 537 CO 0.57 0.45 -0.58 -0.83 0.02 0.00 0.00 177.57 177.19 3ib0 s GLY 538 N -3.62 1.95 0.08 2.17 0.00 -0.76 -4.90 107.32 102.24 3ib0 s GLY 538 Ca -0.12 -1.86 0.15 0.00 0.00 0.00 0.00 44.72 42.88 3ib0 s GLY 538 CO 0.82 -1.81 0.93 -0.55 0.00 0.00 0.00 173.10 172.49 3ib0 h ASP 539 N 1.70 0.00 -4.27 1.64 3.32 -0.47 -3.41 116.42 114.93 3ib0 h ASP 539 Ca -0.43 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.43 3ib0 h ASP 539 Cb 1.25 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 40.56 3ib0 h ASP 539 CO 0.64 0.71 -0.63 0.54 -1.72 0.00 0.00 179.24 178.78 3ib0 s VAL 540 N -2.83 0.04 -0.06 -1.35 0.11 -0.94 -4.31 120.40 111.06 3ib0 s VAL 540 Ca -0.02 -0.35 0.06 0.00 -2.93 0.00 0.00 61.98 58.74 3ib0 s VAL 540 Cb 0.08 -0.20 -0.01 0.00 -1.53 0.00 0.00 36.38 34.73 3ib0 s VAL 540 CO 0.81 -0.19 -0.24 0.00 -3.33 0.00 0.00 175.10 172.15 3ib0 s ALA 541 N -0.58 2.06 -0.44 1.54 0.00 0.07 -0.28 121.76 124.13 3ib0 s ALA 541 Ca -0.07 -0.99 -0.11 0.00 0.00 0.00 0.00 51.96 50.79 3ib0 s ALA 541 Cb -0.04 -0.65 0.08 0.00 0.00 0.00 0.00 23.12 22.51 3ib0 s ALA 541 CO 0.00 0.39 0.31 -0.06 0.00 0.00 0.00 175.76 176.40 3ib0 s PHE 542 N -0.13 3.31 0.00 0.00 0.08 -0.29 -0.94 117.98 120.01 3ib0 s PHE 542 Ca -0.04 -1.33 0.00 0.00 0.12 0.00 0.00 56.93 55.68 3ib0 s PHE 542 Cb -0.13 -3.03 0.00 0.00 -0.57 0.00 0.00 43.02 39.28 3ib0 s PHE 542 CO 0.03 -0.83 0.00 1.33 -0.10 0.00 0.00 175.22 175.65 3ib0 n VAL 543 N 5.01 0.00 -4.44 -0.44 0.24 -0.92 -3.84 118.33 113.95 3ib0 n VAL 543 Ca -0.11 0.00 -0.22 0.00 -2.04 0.00 0.00 64.34 61.97 3ib0 n VAL 543 Cb 0.43 0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 32.70 3ib0 n VAL 543 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 3ib0 s LYS 544 N 1.86 1.58 0.23 7.34 -2.85 -1.26 -0.45 119.74 126.19 3ib0 s LYS 544 Ca 0.00 -1.73 -0.06 0.00 -1.00 0.00 0.00 55.97 53.18 3ib0 s LYS 544 Cb 0.00 -1.56 0.39 0.00 -2.06 0.00 0.00 37.83 34.61 3ib0 s LYS 544 CO 0.00 0.27 1.71 -0.97 0.10 0.00 0.00 175.35 176.46 3ib0 h ASN 545 N 2.34 0.14 -0.73 0.03 -1.24 -1.23 -1.89 115.58 113.01 3ib0 h ASN 545 Ca -0.40 0.11 0.04 0.00 0.71 0.00 0.00 56.30 56.77 3ib0 h ASN 545 Cb 1.25 0.13 -0.04 0.00 0.73 0.00 0.00 38.32 40.38 3ib0 h ASN 545 CO 0.61 0.05 0.48 0.44 -1.29 0.00 0.00 177.43 177.73 3ib0 h ASP 546 N 0.35 0.74 -0.83 1.15 5.19 -1.97 -2.26 116.42 118.80 3ib0 h ASP 546 Ca 0.38 -0.01 0.05 0.00 -0.62 0.00 0.00 57.03 56.83 3ib0 h ASP 546 Cb 0.57 -0.17 -0.05 0.00 0.18 0.00 0.00 39.33 39.86 3ib0 h ASP 546 CO -0.42 0.50 0.52 0.74 -3.12 0.00 0.00 179.24 177.46 3ib0 h THR 547 N 0.85 1.08 -0.26 0.35 2.02 -1.74 0.37 112.91 115.58 3ib0 h THR 547 Ca 0.30 -0.34 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 3ib0 h THR 547 Cb 0.11 0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 66.53 3ib0 h THR 547 CO -0.09 0.18 0.11 0.58 0.37 0.00 0.00 175.52 176.67 3ib0 h VAL 548 N 0.98 1.16 -0.28 3.16 2.07 -1.46 -2.85 116.25 119.02 3ib0 h VAL 548 Ca 0.34 -0.49 -0.11 0.00 0.82 0.00 0.00 66.70 67.26 3ib0 h VAL 548 Cb 0.09 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 3ib0 h VAL 548 CO -0.14 0.17 -0.30 -0.50 0.02 0.00 0.00 177.57 176.82 3ib0 h TRP 549 N 0.28 0.67 0.00 1.57 4.06 -1.36 -3.05 115.95 118.12 3ib0 h TRP 549 Ca 0.09 -0.16 0.00 0.00 2.06 0.00 0.00 58.89 60.88 3ib0 h TRP 549 Cb 0.16 -0.16 0.00 0.00 -1.00 0.00 0.00 29.16 28.16 3ib0 h TRP 549 CO -0.01 0.82 0.00 0.39 -3.56 0.00 0.00 178.44 176.07 3ib0 n GLU 550 N -4.09 0.04 -0.25 0.49 1.02 0.06 -3.37 120.64 114.55 3ib0 n GLU 550 Ca -0.01 0.09 0.08 0.00 -0.02 0.00 0.00 57.16 57.30 3ib0 n GLU 550 Cb 0.45 -1.55 0.12 0.00 -0.02 0.00 0.00 31.44 30.44 3ib0 n GLU 550 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3ib0 n ASN 551 N -1.62 1.80 -4.29 1.62 3.02 -1.09 -3.24 115.26 111.45 3ib0 n ASN 551 Ca 0.06 -2.94 -0.16 0.00 -0.03 0.00 0.00 54.58 51.52 3ib0 n ASN 551 Cb 0.32 -0.39 -0.10 0.00 -0.61 0.00 0.00 39.78 38.99 3ib0 n ASN 551 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3ib0 s THR 552 N -2.29 0.80 -1.54 3.41 -4.23 -1.18 -4.70 115.64 105.92 3ib0 s THR 552 Ca 0.27 -2.01 -0.14 0.00 -1.18 0.00 0.00 61.69 58.63 3ib0 s THR 552 Cb 0.24 -2.32 0.09 0.00 1.34 0.00 0.00 72.50 71.85 3ib0 s THR 552 CO 0.01 -0.31 0.91 0.59 -0.54 0.00 0.00 174.62 175.28 3ib0 n ASN 553 N -0.36 -4.61 0.00 3.99 4.13 -0.03 -1.37 115.26 117.01 3ib0 n ASN 553 Ca -0.05 -0.76 0.00 0.00 1.68 0.00 0.00 54.58 55.45 3ib0 n ASN 553 Cb 0.64 -3.70 0.00 0.00 -1.54 0.00 0.00 39.78 35.19 3ib0 n ASN 553 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3ib0 n GLY 554 N -1.61 1.89 0.26 7.41 0.00 -1.26 -4.88 105.19 107.00 3ib0 n GLY 554 Ca 0.04 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.17 3ib0 n GLY 554 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3ib0 h GLU 555 N 2.74 0.00 -5.93 1.61 4.39 -1.47 -3.39 114.58 112.53 3ib0 h GLU 555 Ca 0.00 0.00 -0.69 0.00 0.34 0.00 0.00 59.36 59.01 3ib0 h GLU 555 Cb 0.00 0.00 -0.30 0.00 -0.10 0.00 0.00 28.75 28.35 3ib0 h GLU 555 CO 0.00 0.11 -0.85 0.45 -1.16 0.00 0.00 179.01 177.56 3ib0 s SER 556 N -6.42 3.36 0.00 1.42 0.15 -1.20 -4.83 113.70 106.18 3ib0 s SER 556 Ca -0.04 -0.44 0.23 0.00 0.70 0.00 0.00 55.95 56.41 3ib0 s SER 556 Cb 0.14 -0.98 0.57 0.00 -1.71 0.00 0.00 66.02 64.04 3ib0 s SER 556 CO 0.61 0.24 1.47 0.35 1.20 0.00 0.00 173.24 177.11 3ib0 n THR 557 N 2.96 0.25 -1.75 6.45 -2.24 -1.26 -3.70 114.28 114.99 3ib0 n THR 557 Ca -0.18 -0.50 -0.40 0.00 -2.27 0.00 0.00 64.05 60.70 3ib0 n THR 557 Cb 0.52 0.81 0.02 0.00 -2.10 0.00 0.00 70.33 69.59 3ib0 n THR 557 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ib0 n ALA 558 N 0.91 1.81 -0.33 6.98 0.00 -1.26 -4.61 120.51 124.02 3ib0 n ALA 558 Ca 0.17 0.22 0.12 0.00 0.00 0.00 0.00 53.44 53.95 3ib0 n ALA 558 Cb 0.48 -2.36 0.33 0.00 0.00 0.00 0.00 19.45 17.90 3ib0 n ALA 558 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 3ib0 h ASP 559 N 2.05 0.76 1.66 0.00 3.58 -1.99 1.04 116.42 123.52 3ib0 h ASP 559 Ca -0.50 0.07 -0.06 0.00 0.42 0.00 0.00 57.03 56.96 3ib0 h ASP 559 Cb 1.28 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 42.25 3ib0 h ASP 559 CO 0.60 0.33 -0.34 4.11 -2.88 0.00 0.00 179.24 181.06 3ib0 h TRP 560 N 0.78 0.00 0.00 0.28 5.08 -1.98 -3.34 115.95 116.77 3ib0 h TRP 560 Ca 0.52 0.00 -0.12 0.00 1.08 0.00 0.00 58.89 60.37 3ib0 h TRP 560 Cb 0.79 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.93 3ib0 h TRP 560 CO -0.00 0.26 -1.90 0.00 -1.28 0.00 0.00 178.44 175.52 3ib0 n ALA 561 N -2.17 2.21 0.08 0.11 0.00 -0.24 -4.65 120.51 115.84 3ib0 n ALA 561 Ca 0.02 -0.66 0.16 0.00 0.00 0.00 0.00 53.44 52.96 3ib0 n ALA 561 Cb 0.64 -0.37 0.67 0.00 0.00 0.00 0.00 19.45 20.39 3ib0 n ALA 561 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 3ib0 h LYS 562 N 0.00 0.01 -0.56 0.00 2.10 0.97 -0.76 116.57 118.33 3ib0 h LYS 562 Ca -0.18 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.47 3ib0 h LYS 562 Cb 1.26 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.59 3ib0 h LYS 562 CO 0.01 0.01 0.00 -1.71 -2.00 0.00 0.00 179.45 175.76 3ib0 n ASN 563 N -4.43 3.48 -4.77 7.07 5.15 -1.26 -4.33 115.26 116.17 3ib0 n ASN 563 Ca 0.06 -2.00 -0.39 0.00 -0.60 0.00 0.00 54.58 51.65 3ib0 n ASN 563 Cb 0.44 -0.37 -0.06 0.00 -0.53 0.00 0.00 39.78 39.26 3ib0 n ASN 563 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3ib0 s LEU 564 N -1.00 4.56 -0.07 1.20 1.43 -0.29 -4.96 118.68 119.55 3ib0 s LEU 564 Ca 0.37 1.79 0.04 0.00 -1.03 0.00 0.00 54.13 55.30 3ib0 s LEU 564 Cb 0.19 -3.56 -0.02 0.00 0.03 0.00 0.00 46.19 42.84 3ib0 s LEU 564 CO 0.25 0.13 -0.20 -0.75 0.23 0.00 0.00 176.35 176.02 3ib0 s LYS 565 N -1.36 2.68 0.37 1.70 2.47 -1.26 -0.85 119.74 123.49 3ib0 s LYS 565 Ca 0.41 -0.80 0.12 0.00 -1.56 0.00 0.00 55.97 54.14 3ib0 s LYS 565 Cb -0.23 -2.31 0.93 0.00 -1.46 0.00 0.00 37.83 34.76 3ib0 s LYS 565 CO 0.28 0.43 1.84 0.00 0.16 0.00 0.00 175.35 178.06 3ib0 h ARG 566 N 5.96 0.56 0.00 4.03 3.08 -1.93 -1.58 114.38 124.49 3ib0 h ARG 566 Ca -0.35 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.66 3ib0 h ARG 566 Cb 1.17 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.10 3ib0 h ARG 566 CO 0.50 0.37 0.00 -1.91 -1.07 0.00 0.00 179.97 177.85 3ib0 n GLU 567 N -4.58 0.12 -0.04 0.04 0.00 -1.26 -1.76 120.64 113.16 3ib0 n GLU 567 Ca 0.20 0.15 0.12 0.00 0.00 0.00 0.00 57.16 57.63 3ib0 n GLU 567 Cb 0.60 -1.50 0.48 0.00 0.00 0.00 0.00 31.44 31.02 3ib0 n GLU 567 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3ib0 n ASP 568 N -1.40 1.36 -4.39 4.31 8.00 -0.60 -4.81 116.55 119.03 3ib0 n ASP 568 Ca 0.06 -1.56 -0.25 0.00 0.71 0.00 0.00 54.79 53.76 3ib0 n ASP 568 Cb 0.18 -0.05 -0.11 0.00 -0.02 0.00 0.00 41.12 41.12 3ib0 n ASP 568 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3ib0 s PHE 569 N -1.90 2.10 0.06 1.24 0.08 -0.72 -0.71 117.98 118.12 3ib0 s PHE 569 Ca 0.35 -0.40 0.02 0.00 0.12 0.00 0.00 56.93 57.02 3ib0 s PHE 569 Cb 0.19 -1.03 -0.03 0.00 -0.57 0.00 0.00 43.02 41.58 3ib0 s PHE 569 CO 0.29 0.45 -0.08 1.03 -0.10 0.00 0.00 175.22 176.81 3ib0 s ARG 570 N -2.78 0.62 0.03 0.44 1.81 -0.15 -4.33 118.95 114.59 3ib0 s ARG 570 Ca 0.19 -0.91 -0.07 0.00 -1.72 0.00 0.00 55.73 53.22 3ib0 s ARG 570 Cb -0.07 -0.29 -0.05 0.00 -0.45 0.00 0.00 34.95 34.09 3ib0 s ARG 570 CO 0.09 0.04 0.30 -0.51 -0.68 0.00 0.00 175.30 174.54 3ib0 s LEU 571 N -1.96 4.36 -0.26 2.53 1.43 0.11 -0.90 118.68 123.99 3ib0 s LEU 571 Ca -0.04 0.60 -0.13 0.00 -1.03 0.00 0.00 54.13 53.53 3ib0 s LEU 571 Cb -0.06 -2.79 -0.04 0.00 0.03 0.00 0.00 46.19 43.33 3ib0 s LEU 571 CO -0.01 0.22 0.29 -0.76 0.23 0.00 0.00 176.35 176.33 3ib0 s LEU 572 N -1.86 4.06 0.24 1.79 1.43 0.48 -1.34 118.68 123.47 3ib0 s LEU 572 Ca 0.30 0.20 -0.07 0.00 -1.03 0.00 0.00 54.13 53.53 3ib0 s LEU 572 Cb -0.13 -2.30 -0.06 0.00 0.03 0.00 0.00 46.19 43.72 3ib0 s LEU 572 CO 0.17 -0.10 0.53 0.00 0.23 0.00 0.00 176.35 177.18 3ib0 h LEU 574 N 2.21 0.00 -0.23 0.00 3.38 -1.87 -1.23 115.31 117.56 3ib0 h LEU 574 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 3ib0 h LEU 574 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 3ib0 h LEU 574 CO 0.68 0.05 0.00 -0.90 0.09 0.00 0.00 178.44 178.36 3ib0 n ASP 575 N -3.38 0.35 0.00 -0.43 5.68 -1.26 -4.87 116.55 112.63 3ib0 n ASP 575 Ca -0.02 -1.76 0.00 0.00 -0.50 0.00 0.00 54.79 52.51 3ib0 n ASP 575 Cb 0.18 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.13 3ib0 n ASP 575 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ib0 n GLY 576 N 0.72 0.72 3.95 6.12 0.00 -0.46 -5.06 105.19 111.17 3ib0 n GLY 576 Ca 0.08 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.87 3ib0 n GLY 576 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ib0 s THR 577 N -2.73 3.04 -0.04 2.61 -4.23 -1.25 -4.63 115.64 108.41 3ib0 s THR 577 Ca 0.00 -0.45 0.07 0.00 -1.18 0.00 0.00 61.69 60.13 3ib0 s THR 577 Cb 0.00 -3.18 -0.02 0.00 1.34 0.00 0.00 72.50 70.65 3ib0 s THR 577 CO 0.00 -0.15 -0.25 -0.13 -0.54 0.00 0.00 174.62 173.55 3ib0 s ARG 578 N -4.85 2.28 0.07 3.99 0.52 -1.26 -1.12 118.95 118.58 3ib0 s ARG 578 Ca 0.55 -0.90 0.03 0.00 -0.52 0.00 0.00 55.73 54.89 3ib0 s ARG 578 Cb -0.10 -2.06 -0.03 0.00 0.52 0.00 0.00 34.95 33.28 3ib0 s ARG 578 CO 0.41 0.46 -0.08 0.15 0.02 0.00 0.00 175.30 176.25 3ib0 s LYS 579 N -0.38 0.71 0.82 3.54 1.02 -0.45 -4.94 119.74 120.06 3ib0 s LYS 579 Ca 0.03 -1.02 -0.13 0.00 0.02 0.00 0.00 55.97 54.87 3ib0 s LYS 579 Cb -0.12 -0.37 0.08 0.00 -0.52 0.00 0.00 37.83 36.90 3ib0 s LYS 579 CO 0.01 0.05 1.09 -2.30 -0.92 0.00 0.00 175.35 173.28 3ib0 n PRO 580 N 0.84 0.09 0.00 -1.68 -0.02 -1.26 0.04 135.00 133.01 3ib0 n PRO 580 Ca -0.18 0.11 0.11 0.00 -2.02 0.00 0.00 63.50 61.51 3ib0 n PRO 580 Cb 0.57 -2.35 0.62 0.00 -0.02 0.00 0.00 33.50 32.33 3ib0 n PRO 580 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 3ib0 n VAL 581 N -3.35 0.02 0.87 -1.45 0.24 -1.26 -1.39 118.33 112.02 3ib0 n VAL 581 Ca 0.13 0.01 0.13 0.00 -2.04 0.00 0.00 64.34 62.56 3ib0 n VAL 581 Cb 0.51 -0.67 0.55 0.00 -1.47 0.00 0.00 33.84 32.75 3ib0 n VAL 581 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3ib0 n THR 582 N -1.02 0.22 -1.19 3.34 -2.24 -1.26 -4.01 114.28 108.13 3ib0 n THR 582 Ca 0.16 -0.01 -0.06 0.00 -2.27 0.00 0.00 64.05 61.87 3ib0 n THR 582 Cb 0.08 -0.58 0.24 0.00 -2.10 0.00 0.00 70.33 67.97 3ib0 n THR 582 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3ib0 n GLU 583 N -1.64 2.76 -0.06 -0.78 -0.58 -0.49 -4.67 120.64 115.18 3ib0 n GLU 583 Ca 0.06 -3.06 0.10 0.00 -0.42 0.00 0.00 57.16 53.84 3ib0 n GLU 583 Cb 0.33 -2.02 0.48 0.00 -0.57 0.00 0.00 31.44 29.66 3ib0 n GLU 583 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3ib0 h ALA 584 N 1.72 1.94 0.00 0.62 0.00 -1.78 -1.09 119.26 120.66 3ib0 h ALA 584 Ca 0.27 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3ib0 h ALA 584 Cb 2.06 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.74 3ib0 h ALA 584 CO 0.60 -0.04 0.00 0.37 0.00 0.00 0.00 179.25 180.18 3ib0 h GLN 585 N 0.45 0.00 -0.11 0.00 5.75 -1.94 -2.03 115.11 117.24 3ib0 h GLN 585 Ca 0.25 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.75 3ib0 h GLN 585 Cb 0.39 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.94 3ib0 h GLN 585 CO -0.07 0.00 0.00 -1.13 -2.65 0.00 0.00 178.83 174.98 3ib0 n SER 586 N -2.98 2.15 -2.99 -0.69 3.41 -0.51 -4.80 113.62 107.21 3ib0 n SER 586 Ca -0.01 -1.83 -0.15 0.00 -0.26 0.00 0.00 58.87 56.62 3ib0 n SER 586 Cb 0.20 -0.07 0.01 0.00 -0.26 0.00 0.00 64.21 64.10 3ib0 n SER 586 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ib0 s HIS 588 N -1.10 2.09 -0.00 0.00 -0.00 -1.17 -4.68 115.29 110.43 3ib0 s HIS 588 Ca 0.32 -0.65 0.06 0.00 -0.00 0.00 0.00 55.06 54.79 3ib0 s HIS 588 Cb 0.30 -1.21 -0.24 0.00 -0.00 0.00 0.00 32.58 31.43 3ib0 s HIS 588 CO -0.09 0.36 0.83 -0.07 -0.00 0.00 0.00 174.74 175.77 3ib0 h LEU 589 N 2.19 0.13 -7.21 5.38 3.38 -1.07 -3.43 115.31 114.68 3ib0 h LEU 589 Ca -0.41 -0.20 0.22 0.00 0.09 0.00 0.00 57.88 57.58 3ib0 h LEU 589 Cb 1.24 -0.04 -0.14 0.00 0.09 0.00 0.00 40.66 41.81 3ib0 h LEU 589 CO 0.68 1.18 0.66 0.00 0.09 0.00 0.00 178.44 181.05 3ib0 s ALA 590 N -2.62 -1.95 -0.23 1.53 0.00 -1.23 -5.01 121.76 112.24 3ib0 s ALA 590 Ca -0.06 0.87 -0.11 0.00 0.00 0.00 0.00 51.96 52.66 3ib0 s ALA 590 Cb 0.08 0.32 -0.05 0.00 0.00 0.00 0.00 23.12 23.47 3ib0 s ALA 590 CO 0.83 -0.84 0.19 0.08 0.00 0.00 0.00 175.76 176.02 3ib0 s VAL 591 N -2.80 5.34 0.00 0.00 1.01 -1.26 -1.15 120.40 121.54 3ib0 s VAL 591 Ca 0.10 0.27 -0.01 0.00 0.00 0.00 0.00 61.98 62.34 3ib0 s VAL 591 Cb 0.00 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 32.81 3ib0 s VAL 591 CO -0.04 0.34 0.13 0.00 0.00 0.00 0.00 175.10 175.54 3ib0 s ALA 592 N 0.99 3.78 0.35 5.51 0.00 0.10 -4.91 121.76 127.59 3ib0 s ALA 592 Ca 0.09 -0.83 -0.27 0.00 0.00 0.00 0.00 51.96 50.96 3ib0 s ALA 592 Cb -0.13 -1.73 -0.09 0.00 0.00 0.00 0.00 23.12 21.17 3ib0 s ALA 592 CO 0.04 0.73 1.17 -1.25 0.00 0.00 0.00 175.76 176.45 3ib0 s PRO 593 N -1.90 4.30 0.66 0.00 0.04 -1.26 -1.52 135.00 135.31 3ib0 s PRO 593 Ca 0.26 1.89 -0.18 0.00 0.04 0.00 0.00 61.00 63.01 3ib0 s PRO 593 Cb -0.12 -2.90 -0.00 0.00 0.04 0.00 0.00 34.50 31.51 3ib0 s PRO 593 CO 0.17 -0.13 1.28 -0.80 0.04 0.00 0.00 177.00 177.56 3ib0 s ASN 594 N -0.95 4.54 0.60 6.66 0.01 -1.26 -4.49 114.94 120.05 3ib0 s ASN 594 Ca 0.52 2.57 -0.19 0.00 -0.71 0.00 0.00 52.86 55.05 3ib0 s ASN 594 Cb -0.32 -2.61 -0.04 0.00 0.41 0.00 0.00 41.25 38.68 3ib0 s ASN 594 CO 0.42 -2.04 1.18 1.41 -1.51 0.00 0.00 177.10 176.55 3ib0 n HIS 595 N -2.03 1.58 -3.76 2.20 8.25 -1.26 -4.69 115.22 115.51 3ib0 n HIS 595 Ca 0.15 0.43 -0.11 0.00 -0.26 0.00 0.00 57.72 57.93 3ib0 n HIS 595 Cb 0.48 -2.24 -0.07 0.00 1.12 0.00 0.00 29.99 29.28 3ib0 n HIS 595 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3ib0 s ALA 596 N -1.40 -0.67 0.14 -1.41 0.00 -0.36 -0.90 121.76 117.17 3ib0 s ALA 596 Ca 0.77 -0.00 -0.30 0.00 0.00 0.00 0.00 51.96 52.42 3ib0 s ALA 596 Cb -0.41 0.32 -0.07 0.00 0.00 0.00 0.00 23.12 22.96 3ib0 s ALA 596 CO 0.46 -0.41 0.98 0.08 0.00 0.00 0.00 175.76 176.87 3ib0 s VAL 597 N -2.55 4.32 0.18 0.00 1.01 0.18 -0.02 120.40 123.52 3ib0 s VAL 597 Ca -0.05 1.99 0.10 0.00 0.00 0.00 0.00 61.98 64.02 3ib0 s VAL 597 Cb -0.01 -4.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.06 3ib0 s VAL 597 CO -0.03 0.34 -0.21 0.68 0.00 0.00 0.00 175.10 175.87 3ib0 s VAL 598 N -0.22 2.09 0.31 2.92 -7.23 -0.44 -0.11 120.40 117.72 3ib0 s VAL 598 Ca 0.47 -1.97 -0.14 0.00 -1.81 0.00 0.00 61.98 58.52 3ib0 s VAL 598 Cb -0.25 -1.98 0.02 0.00 0.56 0.00 0.00 36.38 34.73 3ib0 s VAL 598 CO 0.31 -0.21 0.64 -0.94 -0.31 0.00 0.00 175.10 174.59 3ib0 s SER 599 N -2.66 0.05 0.65 4.85 1.04 -0.77 -2.99 113.70 113.87 3ib0 s SER 599 Ca 0.18 -0.99 -0.17 0.00 0.48 0.00 0.00 55.95 55.45 3ib0 s SER 599 Cb -0.07 0.72 -0.01 0.00 0.10 0.00 0.00 66.02 66.76 3ib0 s SER 599 CO 0.08 -1.39 1.20 -0.13 0.98 0.00 0.00 173.24 173.99 3ib0 s ARG 600 N -3.33 2.65 0.25 4.02 0.52 -1.26 -0.74 118.95 121.07 3ib0 s ARG 600 Ca 0.18 1.78 -0.04 0.00 -0.52 0.00 0.00 55.73 57.13 3ib0 s ARG 600 Cb -0.03 -1.89 0.37 0.00 0.52 0.00 0.00 34.95 33.91 3ib0 s ARG 600 CO 0.11 -1.44 1.87 0.77 0.02 0.00 0.00 175.30 176.62 3ib0 h SER 601 N 0.39 0.94 0.42 0.23 0.02 -1.93 -0.85 113.55 112.76 3ib0 h SER 601 Ca -0.49 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 3ib0 h SER 601 Cb 1.29 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.65 3ib0 h SER 601 CO 0.53 0.60 0.00 0.47 -1.14 0.00 0.00 176.83 177.29 3ib0 n ASP 602 N -4.56 0.00 -0.17 3.07 8.00 -1.26 -2.29 116.55 119.33 3ib0 n ASP 602 Ca 0.14 -0.10 0.05 0.00 0.71 0.00 0.00 54.79 55.59 3ib0 n ASP 602 Cb 0.18 -0.27 -0.02 0.00 -0.02 0.00 0.00 41.12 41.00 3ib0 n ASP 602 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3ib0 n ARG 603 N -1.27 2.51 -0.12 -1.24 5.12 -0.41 -4.76 116.66 116.49 3ib0 n ARG 603 Ca 0.12 -0.45 -0.08 0.00 -1.93 0.00 0.00 57.85 55.51 3ib0 n ARG 603 Cb 0.18 -1.06 0.01 0.00 -1.16 0.00 0.00 32.46 30.43 3ib0 n ARG 603 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3ib0 h ALA 604 N 1.70 0.49 -0.50 7.54 0.00 -0.90 0.38 119.26 127.97 3ib0 h ALA 604 Ca 0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 3ib0 h ALA 604 Cb 0.32 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3ib0 h ALA 604 CO 0.00 -0.09 0.03 0.00 0.00 0.00 0.00 179.25 179.19 3ib0 h ALA 605 N 1.16 1.12 -0.06 0.00 0.00 -1.86 0.75 119.26 120.38 3ib0 h ALA 605 Ca 0.15 -0.25 -0.25 0.00 0.00 0.00 0.00 54.91 54.56 3ib0 h ALA 605 Cb -0.02 -0.20 0.02 0.00 0.00 0.00 0.00 17.79 17.59 3ib0 h ALA 605 CO -0.06 0.57 -0.95 1.25 0.00 0.00 0.00 179.25 180.06 3ib0 h HIS 606 N 0.76 1.06 -0.84 0.00 6.17 -1.78 -1.43 115.15 119.10 3ib0 h HIS 606 Ca 0.15 -0.54 0.01 0.00 0.71 0.00 0.00 60.37 60.70 3ib0 h HIS 606 Cb 0.41 -0.14 -0.04 0.00 2.52 0.00 0.00 27.41 30.17 3ib0 h HIS 606 CO 0.02 1.38 0.55 0.28 0.71 0.00 0.00 177.93 180.87 3ib0 h VAL 607 N 0.45 1.21 0.05 5.26 2.07 -0.72 -1.47 116.25 123.11 3ib0 h VAL 607 Ca -0.10 -0.39 -0.00 0.00 0.82 0.00 0.00 66.70 67.03 3ib0 h VAL 607 Cb 1.60 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 3ib0 h VAL 607 CO 0.19 0.21 -0.03 -0.08 0.02 0.00 0.00 177.57 177.88 3ib0 h GLU 608 N 1.13 -0.07 -0.44 1.57 4.81 -0.75 -0.53 114.58 120.31 3ib0 h GLU 608 Ca 0.31 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.55 3ib0 h GLU 608 Cb -0.13 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 3ib0 h GLU 608 CO -0.07 0.02 0.29 0.37 -0.73 0.00 0.00 179.01 178.89 3ib0 h GLN 609 N -0.14 0.58 -0.47 1.92 -0.00 -1.06 -1.07 115.11 114.86 3ib0 h GLN 609 Ca -0.01 -0.03 -0.02 0.00 -0.00 0.00 0.00 58.65 58.59 3ib0 h GLN 609 Cb 0.12 -0.13 -0.02 0.00 0.00 0.00 0.00 27.48 27.45 3ib0 h GLN 609 CO 0.01 0.38 0.22 0.28 0.00 0.00 0.00 178.83 179.72 3ib0 h VAL 610 N 0.59 1.19 -0.61 2.39 2.07 -1.14 -2.32 116.25 118.42 3ib0 h VAL 610 Ca 0.16 -0.54 -0.08 0.00 0.82 0.00 0.00 66.70 67.07 3ib0 h VAL 610 Cb -0.06 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 3ib0 h VAL 610 CO -0.04 0.21 0.08 -0.07 0.02 0.00 0.00 177.57 177.77 3ib0 h LEU 611 N 0.62 0.96 -0.98 2.57 3.38 -0.79 0.18 115.31 121.23 3ib0 h LEU 611 Ca 0.16 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 3ib0 h LEU 611 Cb 0.13 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.58 3ib0 h LEU 611 CO -0.02 0.97 0.58 -0.07 0.09 0.00 0.00 178.44 179.99 3ib0 h LEU 612 N 0.93 1.13 -0.14 1.67 3.38 -0.98 -0.87 115.31 120.43 3ib0 h LEU 612 Ca 0.18 -0.06 -0.14 0.00 0.09 0.00 0.00 57.88 57.96 3ib0 h LEU 612 Cb 0.44 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3ib0 h LEU 612 CO 0.01 0.86 -0.44 -0.74 0.09 0.00 0.00 178.44 178.22 3ib0 h HIS 613 N 1.30 0.72 -0.96 1.13 2.76 -0.96 -2.63 115.15 116.50 3ib0 h HIS 613 Ca 0.34 -0.29 0.05 0.00 -2.20 0.00 0.00 60.37 58.27 3ib0 h HIS 613 Cb -0.07 -0.12 -0.06 0.00 1.55 0.00 0.00 27.41 28.71 3ib0 h HIS 613 CO 0.00 1.05 0.63 1.96 -1.30 0.00 0.00 177.93 180.27 3ib0 h GLN 614 N 0.18 1.15 0.00 5.26 1.08 -0.35 -1.63 115.11 120.79 3ib0 h GLN 614 Ca -0.01 -0.07 -0.13 0.00 -1.45 0.00 0.00 58.65 56.98 3ib0 h GLN 614 Cb 1.06 -0.26 -0.02 0.00 -0.05 0.00 0.00 27.48 28.21 3ib0 h GLN 614 CO 0.09 0.76 -0.63 -0.56 -0.95 0.00 0.00 178.83 177.54 3ib0 h GLN 615 N 1.18 0.00 -0.45 1.46 3.07 -1.20 0.25 115.11 119.43 3ib0 h GLN 615 Ca 0.39 0.00 0.03 0.00 0.09 0.00 0.00 58.65 59.16 3ib0 h GLN 615 Cb 0.07 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.60 3ib0 h GLN 615 CO -0.13 0.63 0.30 0.00 0.09 0.00 0.00 178.83 179.72 3ib0 h ALA 616 N 1.37 1.79 0.01 0.06 0.00 -0.92 0.37 119.26 121.94 3ib0 h ALA 616 Ca -0.01 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 3ib0 h ALA 616 Cb 1.24 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3ib0 h ALA 616 CO 0.08 0.16 -0.35 -0.07 0.00 0.00 0.00 179.25 179.07 3ib0 h LEU 617 N 0.51 0.02 -1.72 0.00 3.38 -1.00 -1.69 115.31 114.82 3ib0 h LEU 617 Ca 0.18 -0.88 0.00 0.00 0.09 0.00 0.00 57.88 57.27 3ib0 h LEU 617 Cb 0.09 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3ib0 h LEU 617 CO -0.04 1.14 0.00 0.49 0.09 0.00 0.00 178.44 180.12 3ib0 n PHE 618 N -4.54 0.05 -1.04 1.13 3.72 0.86 0.10 117.46 117.73 3ib0 n PHE 618 Ca -0.16 -0.16 -0.05 0.00 -0.05 0.00 0.00 57.45 57.03 3ib0 n PHE 618 Cb 0.55 -0.01 0.04 0.00 -0.94 0.00 0.00 39.48 39.11 3ib0 n PHE 618 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ib0 n GLY 619 N 0.11 -1.49 3.70 1.37 0.00 0.13 -0.37 105.19 108.64 3ib0 n GLY 619 Ca 0.03 -1.63 -0.42 0.00 0.00 0.00 0.00 46.02 44.00 3ib0 n GLY 619 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ib0 s LYS 620 N -3.52 4.16 -1.78 1.61 2.20 -1.25 -0.10 119.74 121.06 3ib0 s LYS 620 Ca 0.14 2.49 -0.20 0.00 -0.36 0.00 0.00 55.97 58.04 3ib0 s LYS 620 Cb -0.01 -3.36 0.19 0.00 -1.51 0.00 0.00 37.83 33.14 3ib0 s LYS 620 CO 0.10 -0.74 0.64 0.27 -0.36 0.00 0.00 175.35 175.26 3ib0 n ASN 621 N 4.84 -2.26 -4.71 1.43 0.23 -1.26 -4.97 115.26 108.56 3ib0 n ASN 621 Ca 0.16 -1.15 -0.31 0.00 -0.53 0.00 0.00 54.58 52.76 3ib0 n ASN 621 Cb 0.38 -2.12 0.14 0.00 -2.08 0.00 0.00 39.78 36.09 3ib0 n ASN 621 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 3ib0 s GLY 622 N -3.36 1.67 0.48 4.83 0.00 0.86 -4.95 107.32 106.85 3ib0 s GLY 622 Ca 0.73 0.40 0.15 0.00 0.00 0.00 0.00 44.72 46.00 3ib0 s GLY 622 CO 0.98 0.80 2.06 0.50 0.00 0.00 0.00 173.10 177.44 3ib0 h LYS 623 N -1.57 0.00 0.00 2.90 1.57 -0.46 -2.47 116.57 116.55 3ib0 h LYS 623 Ca -0.44 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.33 3ib0 h LYS 623 Cb 1.26 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.56 3ib0 h LYS 623 CO 0.47 0.10 -0.18 0.09 -0.57 0.00 0.00 179.45 179.35 3ib0 n ASN 624 N -4.42 2.04 -4.24 0.86 3.02 0.11 -4.92 115.26 107.71 3ib0 n ASN 624 Ca -0.03 -3.25 -0.32 0.00 -0.03 0.00 0.00 54.58 50.95 3ib0 n ASN 624 Cb 0.17 -0.45 -0.16 0.00 -0.61 0.00 0.00 39.78 38.74 3ib0 n ASN 624 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ib0 n PRO 626 N 3.73 1.85 -0.24 0.00 -0.04 -1.26 -4.03 135.00 135.01 3ib0 n PRO 626 Ca -0.19 -1.34 0.02 0.00 -0.04 0.00 0.00 63.50 61.95 3ib0 n PRO 626 Cb 0.52 -1.47 0.14 0.00 -0.04 0.00 0.00 33.50 32.65 3ib0 n PRO 626 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3ib0 h ASP 627 N 3.27 0.39 0.00 3.54 3.32 -1.91 -3.37 116.42 121.66 3ib0 h ASP 627 Ca 0.00 0.07 -0.06 0.00 0.02 0.00 0.00 57.03 57.06 3ib0 h ASP 627 Cb 0.73 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.29 3ib0 h ASP 627 CO 0.00 0.22 -0.88 0.29 -1.72 0.00 0.00 179.24 177.14 3ib0 n LYS 628 N -4.91 0.33 -3.64 3.56 5.02 0.84 -5.08 118.16 114.29 3ib0 n LYS 628 Ca 0.11 0.13 -0.11 0.00 -2.02 0.00 0.00 58.31 56.43 3ib0 n LYS 628 Cb 0.30 -1.07 -0.07 0.00 -0.02 0.00 0.00 35.03 34.17 3ib0 n LYS 628 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 3ib0 s PHE 629 N -2.50 -0.60 -0.23 2.13 5.36 -0.59 -5.02 117.98 116.52 3ib0 s PHE 629 Ca -0.19 1.45 0.01 0.00 -0.96 0.00 0.00 56.93 57.24 3ib0 s PHE 629 Cb 0.04 0.34 0.04 0.00 -0.34 0.00 0.00 43.02 43.09 3ib0 s PHE 629 CO 0.27 -0.29 -0.11 0.00 -1.46 0.00 0.00 175.22 173.63 3ib0 h LEU 631 N 7.92 0.01 -3.43 0.00 5.85 -1.02 -2.98 115.31 121.64 3ib0 h LEU 631 Ca -0.32 -0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.26 3ib0 h LEU 631 Cb 1.09 -0.00 -0.09 0.00 0.37 0.00 0.00 40.66 42.04 3ib0 h LEU 631 CO 0.56 0.15 0.07 0.49 -0.34 0.00 0.00 178.44 179.37 3ib0 n PHE 632 N -4.36 1.42 -4.27 1.25 3.72 -1.26 -4.70 117.46 109.25 3ib0 n PHE 632 Ca -0.02 -1.28 -0.23 0.00 -0.05 0.00 0.00 57.45 55.87 3ib0 n PHE 632 Cb 0.22 -0.49 -0.12 0.00 -0.94 0.00 0.00 39.48 38.14 3ib0 n PHE 632 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3ib0 s LYS 633 N -3.05 1.10 -0.03 -1.08 -0.14 -1.13 -4.24 119.74 111.17 3ib0 s LYS 633 Ca 0.46 -1.17 0.01 0.00 -1.36 0.00 0.00 55.97 53.92 3ib0 s LYS 633 Cb 0.39 -1.29 0.03 0.00 -1.68 0.00 0.00 37.83 35.29 3ib0 s LYS 633 CO 0.06 0.29 0.90 -1.13 -0.76 0.00 0.00 175.35 174.72 3ib0 n SER 634 N 1.00 -0.89 -3.30 2.83 3.41 -1.26 -4.89 113.62 110.51 3ib0 n SER 634 Ca -0.19 -1.73 -0.16 0.00 -0.26 0.00 0.00 58.87 56.53 3ib0 n SER 634 Cb 0.54 0.29 0.08 0.00 -0.26 0.00 0.00 64.21 64.86 3ib0 n SER 634 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3ib0 n GLU 635 N -0.13 -4.56 -4.38 4.33 1.02 -1.26 -2.99 120.64 112.67 3ib0 n GLU 635 Ca -0.23 0.84 -0.39 0.00 -0.02 0.00 0.00 57.16 57.36 3ib0 n GLU 635 Cb 0.65 -5.77 -0.06 0.00 -0.02 0.00 0.00 31.44 26.24 3ib0 n GLU 635 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3ib0 n THR 636 N -3.67 -0.60 0.65 2.62 -2.24 -1.26 -4.88 114.28 104.90 3ib0 n THR 636 Ca -0.19 -0.04 0.07 0.00 -2.27 0.00 0.00 64.05 61.63 3ib0 n THR 636 Cb 0.64 -1.12 0.03 0.00 -2.10 0.00 0.00 70.33 67.78 3ib0 n THR 636 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3ib0 n LYS 637 N -4.24 1.52 -3.88 -0.78 5.02 -1.16 -4.93 118.16 109.71 3ib0 n LYS 637 Ca 0.07 -1.03 -0.24 0.00 -2.02 0.00 0.00 58.31 55.08 3ib0 n LYS 637 Cb 0.49 -1.26 -0.01 0.00 -0.02 0.00 0.00 35.03 34.23 3ib0 n LYS 637 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3ib0 n ASN 638 N 0.27 -0.54 -4.69 4.39 3.02 -1.26 -4.93 115.26 111.51 3ib0 n ASN 638 Ca 0.07 -0.95 -0.39 0.00 -0.03 0.00 0.00 54.58 53.28 3ib0 n ASN 638 Cb 0.34 -3.36 -0.06 0.00 -0.61 0.00 0.00 39.78 36.10 3ib0 n ASN 638 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3ib0 s LEU 639 N -6.88 4.22 0.00 3.41 1.43 -1.26 -4.32 118.68 115.29 3ib0 s LEU 639 Ca 0.00 0.92 0.00 0.00 -1.03 0.00 0.00 54.13 54.03 3ib0 s LEU 639 Cb -0.00 -2.90 0.00 0.00 0.03 0.00 0.00 46.19 43.32 3ib0 s LEU 639 CO 0.87 -0.17 0.00 0.18 0.23 0.00 0.00 176.35 177.46 3ib0 n LEU 640 N 4.38 0.00 -4.12 1.79 4.77 -1.26 -4.78 117.00 117.79 3ib0 n LEU 640 Ca -0.03 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.86 3ib0 n LEU 640 Cb 0.51 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.49 3ib0 n LEU 640 CO 0.45 0.00 -0.37 -0.36 -1.33 0.00 0.00 177.39 175.77 3ib0 s PHE 641 N 0.00 0.67 0.34 -1.77 0.08 -1.26 -4.45 117.98 111.59 3ib0 s PHE 641 Ca 0.00 -0.95 -0.29 0.00 0.12 0.00 0.00 56.93 55.82 3ib0 s PHE 641 Cb 0.00 -0.43 -0.10 0.00 -0.57 0.00 0.00 43.02 41.91 3ib0 s PHE 641 CO 0.00 -0.26 1.34 -0.80 -0.10 0.00 0.00 175.22 175.40 3ib0 s ASN 642 N -2.83 6.70 0.46 1.36 0.01 -1.26 -4.46 114.94 114.93 3ib0 s ASN 642 Ca 0.07 2.74 0.31 0.00 -0.71 0.00 0.00 52.86 55.28 3ib0 s ASN 642 Cb 0.05 -2.65 1.53 0.00 0.41 0.00 0.00 41.25 40.58 3ib0 s ASN 642 CO -0.07 -0.59 1.95 0.44 -1.51 0.00 0.00 177.10 177.32 3ib0 h ASP 643 N 3.37 0.00 -0.44 -1.22 3.32 -1.89 -1.51 116.42 118.05 3ib0 h ASP 643 Ca -0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.56 3ib0 h ASP 643 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.78 3ib0 h ASP 643 CO 0.66 0.00 0.00 -0.46 -1.72 0.00 0.00 179.24 177.72 3ib0 n ASN 644 N -2.68 2.39 -4.68 6.45 6.94 -1.26 -4.73 115.26 117.69 3ib0 n ASN 644 Ca -0.01 -2.02 -0.42 0.00 -0.02 0.00 0.00 54.58 52.11 3ib0 n ASN 644 Cb 0.15 -0.30 -0.03 0.00 -2.36 0.00 0.00 39.78 37.25 3ib0 n ASN 644 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 3ib0 s THR 645 N -1.43 3.61 -0.04 5.53 2.01 -0.57 -4.28 115.64 120.47 3ib0 s THR 645 Ca 0.29 0.91 -0.09 0.00 0.31 0.00 0.00 61.69 63.12 3ib0 s THR 645 Cb 0.16 -3.59 -0.30 0.00 0.01 0.00 0.00 72.50 68.78 3ib0 s THR 645 CO 0.20 -0.04 0.69 -0.08 -0.69 0.00 0.00 174.62 174.70 3ib0 h GLU 646 N 8.51 0.35 -2.71 4.92 4.81 -1.13 -3.44 114.58 125.89 3ib0 h GLU 646 Ca -0.38 -0.61 0.09 0.00 -0.13 0.00 0.00 59.36 58.34 3ib0 h GLU 646 Cb 1.17 0.23 -0.08 0.00 0.63 0.00 0.00 28.75 30.70 3ib0 h GLU 646 CO 0.93 1.26 0.34 0.00 -0.73 0.00 0.00 179.01 180.81 3ib0 s LEU 648 N -2.85 4.21 0.09 0.00 1.43 -1.26 -0.43 118.68 119.87 3ib0 s LEU 648 Ca 0.09 0.75 0.05 0.00 -1.03 0.00 0.00 54.13 53.98 3ib0 s LEU 648 Cb -0.03 -2.70 -0.04 0.00 0.03 0.00 0.00 46.19 43.45 3ib0 s LEU 648 CO 0.01 -0.09 -0.00 0.00 0.23 0.00 0.00 176.35 176.50 3ib0 s ALA 649 N 1.11 3.29 0.45 4.21 0.00 0.16 -4.68 121.76 126.31 3ib0 s ALA 649 Ca 0.25 -1.11 -0.24 0.00 0.00 0.00 0.00 51.96 50.85 3ib0 s ALA 649 Cb -0.15 -1.19 -0.07 0.00 0.00 0.00 0.00 23.12 21.70 3ib0 s ALA 649 CO 0.10 0.70 1.29 0.15 0.00 0.00 0.00 175.76 178.00 3ib0 s LYS 650 N -2.30 3.71 0.20 0.00 1.02 -0.32 -1.40 119.74 120.66 3ib0 s LYS 650 Ca 0.26 2.10 -0.17 0.00 0.02 0.00 0.00 55.97 58.17 3ib0 s LYS 650 Cb -0.12 -2.55 -0.08 0.00 -0.52 0.00 0.00 37.83 34.56 3ib0 s LYS 650 CO 0.18 -0.69 0.66 -0.51 -0.92 0.00 0.00 175.35 174.07 3ib0 s LEU 651 N -2.84 4.31 -0.06 3.17 1.43 -1.26 -4.86 118.68 118.57 3ib0 s LEU 651 Ca 0.62 1.27 -0.27 0.00 -1.03 0.00 0.00 54.13 54.71 3ib0 s LEU 651 Cb -0.37 -3.51 -0.03 0.00 0.03 0.00 0.00 46.19 42.31 3ib0 s LEU 651 CO 0.46 0.04 0.88 -0.83 0.23 0.00 0.00 176.35 177.12 3ib0 s GLY 652 N -1.75 2.62 -0.04 -3.19 0.00 -1.26 -4.36 107.32 99.34 3ib0 s GLY 652 Ca 0.42 0.31 0.00 0.00 0.00 0.00 0.00 44.72 45.46 3ib0 s GLY 652 CO 0.20 1.57 0.00 0.61 0.00 0.00 0.00 173.10 175.48 3ib0 n GLY 653 N 3.08 0.41 3.62 0.20 0.00 -1.26 -4.01 105.19 107.23 3ib0 n GLY 653 Ca 0.04 -1.05 -0.20 0.00 0.00 0.00 0.00 46.02 44.81 3ib0 n GLY 653 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ib0 n ARG 654 N -2.99 -5.31 -2.32 1.61 1.74 -1.26 -4.80 116.66 103.34 3ib0 n ARG 654 Ca -0.00 0.68 -0.37 0.00 -0.77 0.00 0.00 57.85 57.38 3ib0 n ARG 654 Cb 0.01 -5.36 -0.02 0.00 -1.02 0.00 0.00 32.46 26.07 3ib0 n ARG 654 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3ib0 s PRO 655 N -5.79 3.96 0.93 5.56 0.04 -1.26 -5.02 135.00 133.42 3ib0 s PRO 655 Ca 0.01 1.76 -0.12 0.00 0.04 0.00 0.00 61.00 62.69 3ib0 s PRO 655 Cb -0.00 -2.55 0.15 0.00 0.04 0.00 0.00 34.50 32.14 3ib0 s PRO 655 CO 0.79 -0.38 1.10 0.95 0.04 0.00 0.00 177.00 179.50 3ib0 s THR 656 N -1.51 2.34 0.40 1.26 -4.23 -1.26 -4.59 115.64 108.05 3ib0 s THR 656 Ca 0.60 0.11 0.09 0.00 -1.18 0.00 0.00 61.69 61.31 3ib0 s THR 656 Cb -0.28 -2.67 0.20 0.00 1.34 0.00 0.00 72.50 71.08 3ib0 s THR 656 CO 0.35 -0.15 1.97 0.10 -0.54 0.00 0.00 174.62 176.36 3ib0 h TYR 657 N -1.64 0.32 -0.22 3.99 -0.00 -1.94 0.05 116.97 117.54 3ib0 h TYR 657 Ca -0.52 -0.02 -0.18 0.00 0.00 0.00 0.00 58.73 58.01 3ib0 h TYR 657 Cb 1.31 -0.10 -0.00 0.00 0.00 0.00 0.00 36.73 37.94 3ib0 h TYR 657 CO 0.35 0.34 -0.59 0.93 -0.00 0.00 0.00 178.16 179.19 3ib0 h GLU 658 N 0.31 0.73 -0.57 0.10 5.08 -1.95 -1.17 114.58 117.11 3ib0 h GLU 658 Ca 0.07 -0.48 -0.10 0.00 -1.00 0.00 0.00 59.36 57.85 3ib0 h GLU 658 Cb 0.22 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 3ib0 h GLU 658 CO 0.00 1.11 -0.03 0.93 -1.00 0.00 0.00 179.01 180.02 3ib0 h GLU 659 N 0.55 1.01 -0.32 2.33 5.08 -1.78 0.02 114.58 121.48 3ib0 h GLU 659 Ca 0.00 -0.33 -0.03 0.00 -1.00 0.00 0.00 59.36 58.00 3ib0 h GLU 659 Cb 1.17 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 3ib0 h GLU 659 CO 0.12 1.01 0.08 -0.92 -1.00 0.00 0.00 179.01 178.30 3ib0 h TYR 660 N 0.92 0.53 -0.03 4.33 3.20 -0.80 -3.08 116.97 122.05 3ib0 h TYR 660 Ca 0.16 -0.06 -0.16 0.00 3.14 0.00 0.00 58.73 61.80 3ib0 h TYR 660 Cb 0.58 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.68 3ib0 h TYR 660 CO 0.04 0.56 -0.72 -0.07 -1.64 0.00 0.00 178.16 176.33 3ib0 h LEU 661 N 0.35 0.19 0.00 2.82 3.38 -1.18 -3.47 115.31 117.40 3ib0 h LEU 661 Ca 0.10 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3ib0 h LEU 661 Cb 0.30 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3ib0 h LEU 661 CO 0.00 0.85 0.00 0.61 0.09 0.00 0.00 178.44 179.99 3ib0 n GLY 662 N 0.53 0.51 0.32 0.83 0.00 -0.01 -4.47 105.19 102.90 3ib0 n GLY 662 Ca -0.02 -1.42 0.01 0.00 0.00 0.00 0.00 46.02 44.59 3ib0 n GLY 662 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3ib0 h THR 663 N 0.00 1.03 -0.11 2.61 2.02 -1.88 -1.18 112.91 115.40 3ib0 h THR 663 Ca 0.00 -0.33 0.04 0.00 0.77 0.00 0.00 66.41 66.89 3ib0 h THR 663 Cb 0.00 -0.02 -0.06 0.00 -1.74 0.00 0.00 68.15 66.33 3ib0 h THR 663 CO 0.00 0.18 -0.46 -0.33 0.37 0.00 0.00 175.52 175.28 3ib0 h GLU 664 N 0.96 -0.52 -0.46 6.66 5.08 -1.94 -1.22 114.58 123.15 3ib0 h GLU 664 Ca 0.38 0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.65 3ib0 h GLU 664 Cb 0.19 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 3ib0 h GLU 664 CO -0.18 -0.35 -0.20 -0.92 -1.00 0.00 0.00 179.01 176.37 3ib0 h TYR 665 N -0.54 1.05 -0.49 4.33 3.20 -1.65 -1.98 116.97 120.90 3ib0 h TYR 665 Ca 0.06 -0.24 0.02 0.00 3.14 0.00 0.00 58.73 61.71 3ib0 h TYR 665 Cb 0.65 -0.25 -0.03 0.00 1.54 0.00 0.00 36.73 38.64 3ib0 h TYR 665 CO -0.51 1.03 0.29 0.28 -1.64 0.00 0.00 178.16 177.61 3ib0 h VAL 666 N 0.80 1.05 -0.51 1.81 2.07 -1.04 -0.58 116.25 119.85 3ib0 h VAL 666 Ca 0.11 -0.20 -0.10 0.00 0.82 0.00 0.00 66.70 67.33 3ib0 h VAL 666 Cb 0.75 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 3ib0 h VAL 666 CO 0.06 0.11 -0.09 0.71 0.02 0.00 0.00 177.57 178.38 3ib0 h THR 667 N 0.58 1.26 -0.56 2.57 1.35 -1.06 -0.97 112.91 116.09 3ib0 h THR 667 Ca 0.20 -1.21 0.01 0.00 -0.55 0.00 0.00 66.41 64.86 3ib0 h THR 667 Cb 0.02 0.96 -0.03 0.00 -1.73 0.00 0.00 68.15 67.37 3ib0 h THR 667 CO -0.09 0.42 0.37 0.00 -0.25 0.00 0.00 175.52 175.98 3ib0 h ALA 668 N 1.05 0.71 -0.20 6.62 0.00 -0.86 0.14 119.26 126.73 3ib0 h ALA 668 Ca 0.14 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3ib0 h ALA 668 Cb 0.62 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3ib0 h ALA 668 CO 0.04 0.15 0.08 0.82 0.00 0.00 0.00 179.25 180.35 3ib0 h ILE 669 N 0.76 1.16 -0.46 0.00 2.04 -0.89 -1.66 117.51 118.48 3ib0 h ILE 669 Ca 0.21 -0.50 0.06 0.00 1.00 0.00 0.00 64.86 65.63 3ib0 h ILE 669 Cb -0.09 1.11 -0.05 0.00 -0.74 0.00 0.00 36.82 37.05 3ib0 h ILE 669 CO -0.04 0.16 0.15 0.00 0.00 0.00 0.00 178.15 178.42 3ib0 h ALA 670 N 0.92 0.54 -0.54 1.87 0.00 -0.83 0.42 119.26 121.65 3ib0 h ALA 670 Ca 0.07 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3ib0 h ALA 670 Cb 0.18 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3ib0 h ALA 670 CO -0.01 -0.24 0.34 -0.91 0.00 0.00 0.00 179.25 178.43 3ib0 h ASN 671 N 0.31 0.63 -0.63 0.00 2.35 -0.85 -2.64 115.58 114.75 3ib0 h ASN 671 Ca 0.22 -0.04 -0.05 0.00 -0.55 0.00 0.00 56.30 55.88 3ib0 h ASN 671 Cb 0.23 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.42 3ib0 h ASN 671 CO -0.24 0.48 0.21 0.25 -1.65 0.00 0.00 177.43 176.49 3ib0 h LEU 672 N 0.73 0.91 -1.92 1.61 5.85 -0.68 -2.79 115.31 119.02 3ib0 h LEU 672 Ca 0.19 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3ib0 h LEU 672 Cb -0.05 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 40.74 3ib0 h LEU 672 CO -0.04 0.86 0.00 0.11 -0.34 0.00 0.00 178.44 179.03 3ib0 h LYS 673 N 0.91 0.00 0.00 1.25 1.57 -0.59 -1.49 116.57 118.22 3ib0 h LYS 673 Ca 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 3ib0 h LYS 673 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.58 3ib0 h LYS 673 CO -0.01 0.00 0.00 0.87 -0.57 0.00 0.00 179.45 179.74 3ib0 h LYS 674 N 0.00 0.00 -0.07 3.15 1.57 -1.21 -2.98 116.57 117.03 3ib0 h LYS 674 Ca 0.00 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 3ib0 h LYS 674 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.51 3ib0 h LYS 674 CO 0.00 0.00 -0.28 0.00 -0.57 0.00 0.00 179.45 178.60 3ib0 n SER 676 N -4.46 0.99 0.00 0.00 3.41 -1.13 -5.04 113.62 107.39 3ib0 n SER 676 Ca -0.08 -1.05 0.00 0.00 -0.26 0.00 0.00 58.87 57.48 3ib0 n SER 676 Cb 0.48 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 3ib0 n SER 676 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 3ib0 n LEU 681 N -0.02 0.00 -0.02 1.04 7.94 -1.26 -5.07 117.00 119.61 3ib0 n LEU 681 Ca 0.00 -0.37 -0.03 0.00 -1.11 0.00 0.00 56.01 54.50 3ib0 n LEU 681 Cb 0.03 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 43.96 3ib0 n LEU 681 CO 0.00 0.00 -0.61 -0.62 -1.11 0.00 0.00 177.39 175.05 3ib0 n GLU 682 N -1.07 0.08 -3.95 1.96 -0.58 -1.26 -5.11 120.64 110.70 3ib0 n GLU 682 Ca 0.00 0.03 -0.08 0.00 -0.42 0.00 0.00 57.16 56.68 3ib0 n GLU 682 Cb 0.00 -0.85 -0.08 0.00 -0.57 0.00 0.00 31.44 29.94 3ib0 n GLU 682 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3ib0 s ALA 683 N -2.06 0.07 0.19 0.62 0.00 -1.26 -5.02 121.76 114.29 3ib0 s ALA 683 Ca -0.05 -0.86 -0.32 0.00 0.00 0.00 0.00 51.96 50.74 3ib0 s ALA 683 Cb 0.01 0.50 -0.11 0.00 0.00 0.00 0.00 23.12 23.53 3ib0 s ALA 683 CO 0.07 -0.49 1.61 0.00 0.00 0.00 0.00 175.76 176.95 3ib0 n ALA 685 N 3.79 2.11 -0.87 0.00 0.00 -1.26 -5.01 120.51 119.27 3ib0 n ALA 685 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 3ib0 n ALA 685 Cb 0.37 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.82 3ib0 n ALA 685 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69