#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ci8 n THR 343 N 0.00 2.54 -3.95 -0.72 5.66 -1.26 -4.86 114.28 111.68 3ci8 n THR 343 Ca 0.00 -1.33 -0.35 0.00 -3.05 0.00 0.00 64.05 59.32 3ci8 n THR 343 Cb 0.00 -0.37 -0.08 0.00 -1.55 0.00 0.00 70.33 68.33 3ci8 n THR 343 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 3ci8 s ARG 344 N -2.62 3.77 -0.08 1.09 3.52 -1.26 -4.91 118.95 118.46 3ci8 s ARG 344 Ca 0.48 -0.27 0.01 0.00 -0.13 0.00 0.00 55.73 55.82 3ci8 s ARG 344 Cb 0.38 -3.20 -0.02 0.00 -1.56 0.00 0.00 34.95 30.54 3ci8 s ARG 344 CO 0.13 0.46 -0.11 0.08 -0.81 0.00 0.00 175.30 175.05 3ci8 s VAL 345 N -0.14 3.31 -0.31 7.11 1.01 -0.35 -5.00 120.40 126.03 3ci8 s VAL 345 Ca 0.08 -0.61 -0.12 0.00 0.00 0.00 0.00 61.98 61.34 3ci8 s VAL 345 Cb -0.12 -2.35 -0.03 0.00 0.00 0.00 0.00 36.38 33.88 3ci8 s VAL 345 CO 0.01 0.57 0.21 -0.69 0.00 0.00 0.00 175.10 175.19 3ci8 s VAL 346 N -0.42 5.19 0.05 2.92 1.01 -1.26 -0.35 120.40 127.55 3ci8 s VAL 346 Ca 0.05 -0.09 -0.10 0.00 0.00 0.00 0.00 61.98 61.84 3ci8 s VAL 346 Cb -0.12 -3.58 -0.06 0.00 0.00 0.00 0.00 36.38 32.62 3ci8 s VAL 346 CO 0.02 0.11 0.38 0.86 0.00 0.00 0.00 175.10 176.48 3ci8 s TRP 347 N 1.72 3.61 -0.30 5.22 -0.11 0.72 -0.38 118.94 129.42 3ci8 s TRP 347 Ca 0.06 0.80 -0.11 0.00 1.22 0.00 0.00 56.10 58.07 3ci8 s TRP 347 Cb -0.17 -2.16 -0.03 0.00 -1.50 0.00 0.00 33.47 29.61 3ci8 s TRP 347 CO 0.10 0.56 0.19 0.00 -4.62 0.00 0.00 176.95 173.17 3ci8 s ALA 349 N 1.71 3.74 -0.42 0.00 0.00 0.14 -4.76 121.76 122.16 3ci8 s ALA 349 Ca 0.06 -0.32 -0.13 0.00 0.00 0.00 0.00 51.96 51.57 3ci8 s ALA 349 Cb -0.16 -2.28 0.05 0.00 0.00 0.00 0.00 23.12 20.72 3ci8 s ALA 349 CO 0.09 0.52 0.30 0.08 0.00 0.00 0.00 175.76 176.76 3ci8 s VAL 350 N -1.08 4.90 0.00 0.00 1.01 -1.26 -1.28 120.40 122.69 3ci8 s VAL 350 Ca 0.22 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.22 3ci8 s VAL 350 Cb -0.15 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.38 3ci8 s VAL 350 CO 0.11 -0.42 0.00 0.61 0.00 0.00 0.00 175.10 175.40 3ci8 n GLY 351 N 5.09 -1.52 0.36 4.51 0.00 0.10 -4.33 105.19 109.40 3ci8 n GLY 351 Ca -0.11 -1.56 0.04 0.00 0.00 0.00 0.00 46.02 44.39 3ci8 n GLY 351 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3ci8 h PRO 352 N 0.00 0.91 0.02 1.61 0.11 -1.94 -2.71 132.00 130.00 3ci8 h PRO 352 Ca 0.00 -0.05 -0.22 0.00 0.11 0.00 0.00 66.00 65.84 3ci8 h PRO 352 Cb 0.00 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 30.88 3ci8 h PRO 352 CO 0.00 0.60 -1.03 0.93 -0.21 0.00 0.00 178.00 178.29 3ci8 h GLU 353 N 0.93 0.04 0.00 1.05 5.08 -1.96 -2.57 114.58 117.15 3ci8 h GLU 353 Ca 0.34 -0.07 -0.15 0.00 -1.00 0.00 0.00 59.36 58.48 3ci8 h GLU 353 Cb 0.15 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 3ci8 h GLU 353 CO -0.11 1.02 -0.72 0.93 -1.00 0.00 0.00 179.01 179.13 3ci8 h GLU 354 N 0.01 0.00 -0.17 2.33 5.08 -1.74 -1.91 114.58 118.18 3ci8 h GLU 354 Ca -0.03 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 3ci8 h GLU 354 Cb 1.78 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.03 3ci8 h GLU 354 CO 0.14 0.72 0.05 0.37 -1.00 0.00 0.00 179.01 179.29 3ci8 h GLN 355 N 0.00 0.27 -0.09 2.33 4.15 -1.47 0.10 115.11 120.41 3ci8 h GLN 355 Ca -0.01 -0.06 0.01 0.00 0.77 0.00 0.00 58.65 59.36 3ci8 h GLN 355 Cb 1.36 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 29.00 3ci8 h GLN 355 CO 0.09 0.40 0.02 -0.22 -1.93 0.00 0.00 178.83 177.20 3ci8 h LYS 356 N 0.09 0.06 -0.72 1.69 1.63 -1.36 0.84 116.57 118.81 3ci8 h LYS 356 Ca 0.05 -0.00 0.01 0.00 -0.85 0.00 0.00 60.65 59.86 3ci8 h LYS 356 Cb 0.25 -0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 31.83 3ci8 h LYS 356 CO -0.00 0.04 0.47 -0.22 -3.45 0.00 0.00 179.45 176.29 3ci8 h LYS 357 N 0.06 0.94 -0.62 1.90 3.64 -1.27 -2.42 116.57 118.80 3ci8 h LYS 357 Ca 0.04 -0.06 0.02 0.00 -1.27 0.00 0.00 60.65 59.38 3ci8 h LYS 357 Cb 0.03 -0.21 -0.04 0.00 -0.41 0.00 0.00 32.23 31.60 3ci8 h LYS 357 CO -0.05 0.62 0.39 0.00 -2.27 0.00 0.00 179.45 178.15 3ci8 h GLN 359 N 0.78 1.10 -0.30 0.00 4.20 -0.36 0.33 115.11 120.85 3ci8 h GLN 359 Ca 0.25 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.86 3ci8 h GLN 359 Cb -0.01 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 27.51 3ci8 h GLN 359 CO -0.09 0.73 0.08 1.96 -0.67 0.00 0.00 178.83 180.84 3ci8 h GLN 360 N 1.13 0.48 -0.78 1.46 4.20 -1.14 -1.19 115.11 119.27 3ci8 h GLN 360 Ca 0.43 -0.11 -0.03 0.00 0.06 0.00 0.00 58.65 59.00 3ci8 h GLN 360 Cb 0.21 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 27.89 3ci8 h GLN 360 CO -0.18 0.54 0.36 2.35 -0.67 0.00 0.00 178.83 181.22 3ci8 h TRP 361 N 0.33 1.14 -0.37 2.96 7.01 -0.82 -0.55 115.95 125.65 3ci8 h TRP 361 Ca 0.10 -0.06 0.02 0.00 2.11 0.00 0.00 58.89 61.05 3ci8 h TRP 361 Cb 0.27 -0.35 -0.03 0.00 -2.10 0.00 0.00 29.16 26.96 3ci8 h TRP 361 CO 0.01 0.84 0.21 1.03 -2.79 0.00 0.00 178.44 177.74 3ci8 h SER 362 N 1.10 0.33 0.24 2.65 0.87 -0.12 -1.64 113.55 116.98 3ci8 h SER 362 Ca 0.26 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.82 3ci8 h SER 362 Cb 0.15 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.05 3ci8 h SER 362 CO -0.03 0.24 -0.11 -0.61 -0.53 0.00 0.00 176.83 175.79 3ci8 h GLN 363 N 0.42 -0.30 0.00 2.24 4.15 -0.86 -1.91 115.11 118.86 3ci8 h GLN 363 Ca 0.15 0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.58 3ci8 h GLN 363 Cb 0.02 0.07 -0.00 0.00 0.21 0.00 0.00 27.48 27.78 3ci8 h GLN 363 CO -0.08 -0.16 -0.05 1.96 -1.93 0.00 0.00 178.83 178.57 3ci8 h GLN 364 N -0.37 0.00 -0.01 1.69 1.08 -0.99 -2.31 115.11 114.20 3ci8 h GLN 364 Ca -0.03 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 3ci8 h GLN 364 Cb 0.29 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.72 3ci8 h GLN 364 CO 0.05 0.05 -0.01 -1.13 -0.95 0.00 0.00 178.83 176.84 3ci8 n SER 365 N -4.07 0.99 -2.81 1.46 3.41 -0.63 -4.91 113.62 107.06 3ci8 n SER 365 Ca -0.03 -1.29 -0.19 0.00 -0.26 0.00 0.00 58.87 57.11 3ci8 n SER 365 Cb 0.14 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.14 3ci8 n SER 365 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ci8 n GLY 366 N 1.13 -0.25 2.39 5.00 0.00 -0.87 -2.53 105.19 110.06 3ci8 n GLY 366 Ca 0.20 0.03 -0.17 0.00 0.00 0.00 0.00 46.02 46.08 3ci8 n GLY 366 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3ci8 n GLN 367 N -3.87 -1.25 0.22 1.61 3.00 -0.73 -4.85 117.38 111.51 3ci8 n GLN 367 Ca -0.02 0.94 0.12 0.00 -0.01 0.00 0.00 57.00 58.02 3ci8 n GLN 367 Cb 0.56 -5.27 0.31 0.00 0.00 0.00 0.00 30.24 25.85 3ci8 n GLN 367 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.06 176.15 3ci8 h ASN 368 N 0.00 0.00 -3.40 1.08 2.35 -1.72 -3.41 115.58 110.47 3ci8 h ASN 368 Ca -0.37 0.00 -0.52 0.00 -0.55 0.00 0.00 56.30 54.85 3ci8 h ASN 368 Cb 1.20 0.00 -0.34 0.00 0.05 0.00 0.00 38.32 39.23 3ci8 h ASN 368 CO 0.48 0.09 -0.82 -0.69 -1.65 0.00 0.00 177.43 174.85 3ci8 s VAL 369 N -3.34 1.19 0.45 2.81 1.01 -1.26 -1.22 120.40 120.05 3ci8 s VAL 369 Ca 0.04 -0.51 0.04 0.00 0.00 0.00 0.00 61.98 61.56 3ci8 s VAL 369 Cb 0.07 -1.09 -0.04 0.00 0.00 0.00 0.00 36.38 35.32 3ci8 s VAL 369 CO 0.65 0.37 0.02 0.42 0.00 0.00 0.00 175.10 176.55 3ci8 s THR 370 N 0.69 1.46 0.04 3.92 -4.23 0.53 -4.27 115.64 113.78 3ci8 s THR 370 Ca -0.14 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 58.45 3ci8 s THR 370 Cb -0.16 -2.55 -0.03 0.00 1.34 0.00 0.00 72.50 71.11 3ci8 s THR 370 CO 0.04 0.00 -0.22 0.00 -0.54 0.00 0.00 174.62 173.89 3ci8 s ALA 372 N -0.79 1.70 0.04 0.00 0.00 0.40 -4.89 121.76 118.22 3ci8 s ALA 372 Ca 0.09 -1.09 0.07 0.00 0.00 0.00 0.00 51.96 51.02 3ci8 s ALA 372 Cb -0.09 -0.29 -0.02 0.00 0.00 0.00 0.00 23.12 22.72 3ci8 s ALA 372 CO 0.02 0.36 -0.19 0.99 0.00 0.00 0.00 175.76 176.94 3ci8 s THR 373 N -0.93 1.49 0.10 0.00 2.01 -1.26 0.23 115.64 117.29 3ci8 s THR 373 Ca 0.06 -1.15 -0.05 0.00 0.31 0.00 0.00 61.69 60.86 3ci8 s THR 373 Cb -0.09 -1.31 -0.02 0.00 0.01 0.00 0.00 72.50 71.08 3ci8 s THR 373 CO 0.03 0.13 0.12 0.00 -0.69 0.00 0.00 174.62 174.21 3ci8 s ALA 374 N -0.83 0.26 -0.04 7.40 0.00 -0.41 -4.94 121.76 123.20 3ci8 s ALA 374 Ca 0.06 -1.02 0.12 0.00 0.00 0.00 0.00 51.96 51.11 3ci8 s ALA 374 Cb -0.09 0.60 -0.06 0.00 0.00 0.00 0.00 23.12 23.58 3ci8 s ALA 374 CO 0.02 -0.50 1.36 0.77 0.00 0.00 0.00 175.76 177.41 3ci8 h SER 375 N 2.83 0.00 -4.29 0.00 0.02 -1.95 0.29 113.55 110.46 3ci8 h SER 375 Ca -0.34 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.29 3ci8 h SER 375 Cb 1.19 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.58 3ci8 h SER 375 CO 0.58 0.71 -0.66 0.42 -1.14 0.00 0.00 176.83 176.74 3ci8 s THR 376 N -2.85 0.80 0.20 -2.27 -4.23 -1.26 -4.47 115.64 101.56 3ci8 s THR 376 Ca 0.03 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 58.47 3ci8 s THR 376 Cb 0.09 -2.22 0.04 0.00 1.34 0.00 0.00 72.50 71.74 3ci8 s THR 376 CO 0.78 -0.40 1.62 0.74 -0.54 0.00 0.00 174.62 176.81 3ci8 h THR 377 N 2.60 1.27 -0.82 3.99 2.02 -1.91 -2.59 112.91 117.47 3ci8 h THR 377 Ca -0.37 -1.31 0.04 0.00 0.77 0.00 0.00 66.41 65.53 3ci8 h THR 377 Cb 1.21 1.12 -0.05 0.00 -1.74 0.00 0.00 68.15 68.70 3ci8 h THR 377 CO 0.63 0.45 0.54 0.44 0.37 0.00 0.00 175.52 177.95 3ci8 h ASP 378 N 0.76 0.88 0.00 4.18 3.32 -1.97 -0.32 116.42 123.27 3ci8 h ASP 378 Ca 0.11 -0.01 -0.16 0.00 0.02 0.00 0.00 57.03 56.99 3ci8 h ASP 378 Cb 0.71 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 3ci8 h ASP 378 CO 0.05 0.60 -0.53 0.44 -1.72 0.00 0.00 179.24 178.09 3ci8 h ASP 379 N 1.01 0.63 -0.40 6.45 3.32 -1.92 -2.04 116.42 123.48 3ci8 h ASP 379 Ca 0.33 -0.33 -0.09 0.00 0.02 0.00 0.00 57.03 56.95 3ci8 h ASP 379 Cb 0.04 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 3ci8 h ASP 379 CO -0.10 1.04 -0.09 0.00 -1.72 0.00 0.00 179.24 178.38 3ci8 h ILE 381 N 0.77 1.24 -0.54 0.00 2.04 -0.90 -2.17 117.51 117.95 3ci8 h ILE 381 Ca 0.13 -0.78 -0.09 0.00 1.00 0.00 0.00 64.86 65.12 3ci8 h ILE 381 Cb 0.58 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 3ci8 h ILE 381 CO 0.04 0.31 -0.02 0.58 0.00 0.00 0.00 178.15 179.06 3ci8 h VAL 382 N 1.02 1.26 -0.62 1.67 2.07 -0.92 -2.28 116.25 118.45 3ci8 h VAL 382 Ca 0.23 -1.11 -0.06 0.00 0.82 0.00 0.00 66.70 66.58 3ci8 h VAL 382 Cb 0.22 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 3ci8 h VAL 382 CO -0.02 0.40 0.16 -0.07 0.02 0.00 0.00 177.57 178.06 3ci8 h LEU 383 N 0.87 0.90 -0.71 2.57 3.38 -0.79 -1.24 115.31 120.29 3ci8 h LEU 383 Ca 0.16 -0.17 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 3ci8 h LEU 383 Cb 0.53 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 3ci8 h LEU 383 CO 0.03 0.87 -0.10 0.58 0.09 0.00 0.00 178.44 179.91 3ci8 h VAL 384 N 0.92 1.26 -0.30 1.22 2.07 -1.17 0.34 116.25 120.59 3ci8 h VAL 384 Ca 0.20 -1.20 -0.09 0.00 0.82 0.00 0.00 66.70 66.43 3ci8 h VAL 384 Cb 0.32 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 3ci8 h VAL 384 CO -0.00 0.42 -0.17 -0.07 0.02 0.00 0.00 177.57 177.76 3ci8 h LEU 385 N 0.80 0.53 -0.62 2.57 3.38 -1.07 -2.12 115.31 118.78 3ci8 h LEU 385 Ca 0.13 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 3ci8 h LEU 385 Cb 0.62 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 3ci8 h LEU 385 CO 0.04 0.72 -0.15 0.11 0.09 0.00 0.00 178.44 179.25 3ci8 h LYS 386 N 0.49 0.00 0.00 1.13 1.57 -0.95 -3.47 116.57 115.34 3ci8 h LYS 386 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 3ci8 h LYS 386 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.89 3ci8 h LYS 386 CO 0.04 0.15 0.00 0.41 -0.57 0.00 0.00 179.45 179.48 3ci8 n GLY 387 N 0.64 0.70 0.02 3.86 0.00 -0.37 -4.94 105.19 105.09 3ci8 n GLY 387 Ca 0.02 -0.21 0.13 0.00 0.00 0.00 0.00 46.02 45.95 3ci8 n GLY 387 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ci8 n GLU 388 N -2.56 0.08 -4.03 1.61 1.02 -0.03 -4.86 120.64 111.87 3ci8 n GLU 388 Ca 0.00 0.04 -0.08 0.00 -0.02 0.00 0.00 57.16 57.10 3ci8 n GLU 388 Cb 0.00 -1.57 -0.09 0.00 -0.02 0.00 0.00 31.44 29.76 3ci8 n GLU 388 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ci8 s ALA 389 N -3.04 0.32 -0.23 0.62 0.00 -1.09 -4.95 121.76 113.39 3ci8 s ALA 389 Ca 0.11 -1.04 -0.01 0.00 0.00 0.00 0.00 51.96 51.02 3ci8 s ALA 389 Cb 0.17 0.32 -0.14 0.00 0.00 0.00 0.00 23.12 23.46 3ci8 s ALA 389 CO 0.64 -0.40 -0.22 -0.25 0.00 0.00 0.00 175.76 175.53 3ci8 n ASP 390 N 0.11 2.13 -3.91 0.00 8.00 0.49 -4.10 116.55 119.27 3ci8 n ASP 390 Ca -0.15 -0.04 -0.09 0.00 0.71 0.00 0.00 54.79 55.23 3ci8 n ASP 390 Cb 0.61 -0.43 -0.04 0.00 -0.02 0.00 0.00 41.12 41.24 3ci8 n ASP 390 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ci8 s ALA 391 N -2.45 -0.65 -0.04 2.24 0.00 -1.09 -4.15 121.76 115.62 3ci8 s ALA 391 Ca -0.31 -0.60 -0.29 0.00 0.00 0.00 0.00 51.96 50.75 3ci8 s ALA 391 Cb 0.09 0.96 0.11 0.00 0.00 0.00 0.00 23.12 24.28 3ci8 s ALA 391 CO 0.51 -0.90 0.90 -0.48 0.00 0.00 0.00 175.76 175.79 3ci8 s LEU 392 N -2.96 -0.38 -0.07 0.00 2.34 -1.20 -1.19 118.68 115.22 3ci8 s LEU 392 Ca 0.17 0.12 -0.16 0.00 0.06 0.00 0.00 54.13 54.32 3ci8 s LEU 392 Cb -0.02 2.01 -0.05 0.00 -0.56 0.00 0.00 46.19 47.57 3ci8 s LEU 392 CO 0.06 -0.56 0.43 0.21 -1.06 0.00 0.00 176.35 175.43 3ci8 s ASN 393 N -2.12 6.71 0.11 1.48 2.47 -1.26 -1.47 114.94 120.86 3ci8 s ASN 393 Ca 0.03 0.85 0.05 0.00 0.42 0.00 0.00 52.86 54.21 3ci8 s ASN 393 Cb -0.01 -2.26 -0.04 0.00 -1.45 0.00 0.00 41.25 37.50 3ci8 s ASN 393 CO -0.06 0.15 -0.13 -0.76 -3.72 0.00 0.00 177.10 172.59 3ci8 s LEU 394 N -0.14 2.39 0.49 3.21 1.43 0.73 -4.93 118.68 121.85 3ci8 s LEU 394 Ca 0.24 -0.79 -0.15 0.00 -1.03 0.00 0.00 54.13 52.40 3ci8 s LEU 394 Cb -0.16 -0.47 -0.08 0.00 0.03 0.00 0.00 46.19 45.52 3ci8 s LEU 394 CO 0.11 -0.17 0.94 -0.62 0.23 0.00 0.00 176.35 176.83 3ci8 s ASP 395 N -2.36 6.60 0.31 2.29 2.15 -1.26 -0.99 116.67 123.41 3ci8 s ASP 395 Ca 0.06 1.47 0.04 0.00 0.43 0.00 0.00 52.55 54.56 3ci8 s ASP 395 Cb -0.05 -2.47 0.81 0.00 -0.30 0.00 0.00 42.92 40.92 3ci8 s ASP 395 CO 0.02 -0.54 1.60 1.23 -0.17 0.00 0.00 175.17 177.31 3ci8 h GLY 396 N 1.00 1.42 1.27 2.66 0.00 -1.81 -1.35 103.07 106.25 3ci8 h GLY 396 Ca -0.47 0.04 0.03 0.00 0.00 0.00 0.00 47.33 46.94 3ci8 h GLY 396 CO 0.62 -0.50 0.42 -1.33 0.00 0.00 0.00 176.54 175.76 3ci8 h GLY 397 N 0.08 0.87 1.73 4.60 0.00 -1.89 -1.35 103.07 107.12 3ci8 h GLY 397 Ca 0.61 -0.30 -0.07 0.00 0.00 0.00 0.00 47.33 47.56 3ci8 h GLY 397 CO -0.80 0.27 -0.56 -0.97 0.00 0.00 0.00 176.54 174.48 3ci8 h TYR 398 N 0.78 0.00 -0.06 5.60 0.05 -1.42 -3.13 116.97 118.79 3ci8 h TYR 398 Ca 0.25 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.98 3ci8 h TYR 398 Cb 0.05 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.78 3ci8 h TYR 398 CO -0.00 0.32 -0.23 0.82 -1.05 0.00 0.00 178.16 178.02 3ci8 h ILE 399 N 0.00 1.20 -0.32 -2.88 2.04 -0.69 0.11 117.51 116.97 3ci8 h ILE 399 Ca -0.03 -0.92 -0.14 0.00 1.00 0.00 0.00 64.86 64.77 3ci8 h ILE 399 Cb 1.27 1.41 -0.00 0.00 -0.74 0.00 0.00 36.82 38.76 3ci8 h ILE 399 CO 0.04 0.27 -0.36 0.22 0.00 0.00 0.00 178.15 178.32 3ci8 h TYR 400 N 0.09 0.98 -0.03 1.37 3.20 -1.33 -0.29 116.97 120.97 3ci8 h TYR 400 Ca 0.02 -0.30 -0.00 0.00 3.14 0.00 0.00 58.73 61.58 3ci8 h TYR 400 Cb 0.47 -0.20 -0.00 0.00 1.54 0.00 0.00 36.73 38.53 3ci8 h TYR 400 CO 0.00 1.09 0.00 1.15 -1.64 0.00 0.00 178.16 178.77 3ci8 h THR 401 N 0.59 1.21 -0.83 1.81 2.02 -1.38 -2.90 112.91 113.43 3ci8 h THR 401 Ca 0.05 -0.63 -0.03 0.00 0.77 0.00 0.00 66.41 66.57 3ci8 h THR 401 Cb 0.94 1.59 -0.04 0.00 -1.74 0.00 0.00 68.15 68.90 3ci8 h THR 401 CO 0.09 0.17 0.41 0.00 0.37 0.00 0.00 175.52 176.55 3ci8 h ALA 402 N 0.75 1.15 -0.36 6.16 0.00 -0.79 -3.00 119.26 123.17 3ci8 h ALA 402 Ca 0.01 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 3ci8 h ALA 402 Cb 0.27 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3ci8 h ALA 402 CO 0.00 0.65 -0.00 0.78 0.00 0.00 0.00 179.25 180.68 3ci8 h GLY 403 N 1.20 0.62 2.00 0.00 0.00 -1.01 -1.14 103.07 104.73 3ci8 h GLY 403 Ca 0.29 -0.37 -0.01 0.00 0.00 0.00 0.00 47.33 47.23 3ci8 h GLY 403 CO -0.04 0.35 -0.05 0.50 0.00 0.00 0.00 176.54 177.30 3ci8 h LYS 404 N 0.55 0.00 -0.65 4.80 1.79 -1.36 -1.25 116.57 120.45 3ci8 h LYS 404 Ca 0.12 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.59 3ci8 h LYS 404 Cb 0.36 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.01 3ci8 h LYS 404 CO 0.01 0.05 0.00 0.00 -1.08 0.00 0.00 179.45 178.43 3ci8 n GLY 406 N 1.62 0.75 3.81 0.00 0.00 -0.47 -5.07 105.19 105.84 3ci8 n GLY 406 Ca 0.23 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.92 3ci8 n GLY 406 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ci8 s LEU 407 N 0.00 3.97 0.14 0.99 1.43 -0.60 -3.87 118.68 120.74 3ci8 s LEU 407 Ca 0.00 1.73 0.10 0.00 -1.03 0.00 0.00 54.13 54.92 3ci8 s LEU 407 Cb 0.00 -4.49 -0.04 0.00 0.03 0.00 0.00 46.19 41.69 3ci8 s LEU 407 CO 0.00 -0.37 -0.22 0.68 0.23 0.00 0.00 176.35 176.67 3ci8 s VAL 408 N -2.11 1.99 0.19 -1.59 -7.23 0.62 -4.01 120.40 108.26 3ci8 s VAL 408 Ca 0.61 -1.76 -0.30 0.00 -1.81 0.00 0.00 61.98 58.72 3ci8 s VAL 408 Cb -0.11 -1.83 -0.08 0.00 0.56 0.00 0.00 36.38 34.92 3ci8 s VAL 408 CO 0.15 -0.08 1.27 -2.16 -0.31 0.00 0.00 175.10 173.96 3ci8 s PRO 409 N -2.27 4.42 -0.12 4.82 0.04 -1.26 -1.96 135.00 138.68 3ci8 s PRO 409 Ca 0.13 1.98 -0.05 0.00 0.04 0.00 0.00 61.00 63.10 3ci8 s PRO 409 Cb -0.09 -3.22 -0.06 0.00 0.04 0.00 0.00 34.50 31.18 3ci8 s PRO 409 CO 0.06 -0.20 -0.15 0.28 0.04 0.00 0.00 177.00 177.04 3ci8 n VAL 410 N 2.64 0.66 -3.71 -0.36 0.31 0.41 -4.95 118.33 113.34 3ci8 n VAL 410 Ca 0.06 -0.18 -0.14 0.00 -0.01 0.00 0.00 64.34 64.07 3ci8 n VAL 410 Cb 0.44 -1.55 -0.09 0.00 -0.91 0.00 0.00 33.84 31.73 3ci8 n VAL 410 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3ci8 s LEU 411 N -6.50 0.41 0.10 7.52 1.43 -1.24 -4.56 118.68 115.84 3ci8 s LEU 411 Ca -0.17 0.57 0.07 0.00 -1.03 0.00 0.00 54.13 53.57 3ci8 s LEU 411 Cb 0.06 1.53 -0.04 0.00 0.03 0.00 0.00 46.19 47.78 3ci8 s LEU 411 CO 0.22 -0.31 -0.09 0.00 0.23 0.00 0.00 176.35 176.39 3ci8 s ALA 412 N -0.51 2.98 0.34 4.21 0.00 -0.57 -0.17 121.76 128.04 3ci8 s ALA 412 Ca -0.06 -1.23 -0.29 0.00 0.00 0.00 0.00 51.96 50.38 3ci8 s ALA 412 Cb -0.03 -0.92 -0.11 0.00 0.00 0.00 0.00 23.12 22.06 3ci8 s ALA 412 CO 0.03 0.65 1.41 -1.21 0.00 0.00 0.00 175.76 176.63 3ci8 s GLU 413 N -2.21 4.23 -0.11 0.00 2.02 0.26 0.46 118.70 123.36 3ci8 s GLU 413 Ca 0.22 2.39 -0.01 0.00 0.02 0.00 0.00 54.97 57.58 3ci8 s GLU 413 Cb -0.11 -3.03 0.03 0.00 0.10 0.00 0.00 34.13 31.13 3ci8 s GLU 413 CO 0.14 -0.37 -0.01 1.21 0.02 0.00 0.00 175.26 176.25 3ci8 s ASN 414 N -0.23 2.05 0.66 -0.19 3.04 -0.11 -4.75 114.94 115.41 3ci8 s ASN 414 Ca 0.52 -0.31 0.05 0.00 0.04 0.00 0.00 52.86 53.16 3ci8 s ASN 414 Cb -0.43 -0.58 0.12 0.00 -1.54 0.00 0.00 41.25 38.82 3ci8 s ASN 414 CO 0.56 -0.20 0.91 0.00 -3.04 0.00 0.00 177.10 175.33 3ci8 s ARG 415 N 1.88 1.92 0.43 0.43 1.70 -1.26 -0.67 118.95 123.37 3ci8 s ARG 415 Ca 0.04 -1.50 -0.24 0.00 -0.47 0.00 0.00 55.73 53.56 3ci8 s ARG 415 Cb -0.13 -2.50 -0.08 0.00 -0.57 0.00 0.00 34.95 31.67 3ci8 s ARG 415 CO -0.06 -1.22 1.15 -1.59 -1.08 0.00 0.00 175.30 172.50 3ci8 s LYS 416 N -4.92 3.93 0.07 3.89 -2.85 -1.26 -4.77 119.74 113.83 3ci8 s LYS 416 Ca 0.65 1.76 0.01 0.00 -1.00 0.00 0.00 55.97 57.40 3ci8 s LYS 416 Cb -0.05 -2.53 -0.04 0.00 -2.06 0.00 0.00 37.83 33.16 3ci8 s LYS 416 CO 0.42 -0.40 -0.06 -1.54 0.10 0.00 0.00 175.35 173.87 3ci8 s SER 417 N -1.30 0.89 0.00 0.03 1.04 -1.26 -5.04 113.70 108.06 3ci8 s SER 417 Ca 0.60 -0.84 0.23 0.00 0.48 0.00 0.00 55.95 56.41 3ci8 s SER 417 Cb -0.28 0.10 0.04 0.00 0.10 0.00 0.00 66.02 65.97 3ci8 s SER 417 CO 0.35 -0.40 1.09 -1.54 0.98 0.00 0.00 173.24 173.72 3ci8 n SER 418 N 0.51 1.16 -4.70 7.02 3.41 -1.26 -4.61 113.62 115.14 3ci8 n SER 418 Ca -0.16 -0.98 -0.24 0.00 -0.26 0.00 0.00 58.87 57.22 3ci8 n SER 418 Cb 0.59 0.67 -0.07 0.00 -0.26 0.00 0.00 64.21 65.14 3ci8 n SER 418 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 3ci8 s LYS 419 N -2.84 2.50 0.00 4.33 2.36 -1.26 -4.45 119.74 120.39 3ci8 s LYS 419 Ca 0.12 -1.18 0.00 0.00 -2.55 0.00 0.00 55.97 52.36 3ci8 s LYS 419 Cb 0.17 -2.35 0.00 0.00 -1.05 0.00 0.00 37.83 34.60 3ci8 s LYS 419 CO 0.74 0.42 0.00 0.72 1.55 0.00 0.00 175.35 178.78 3ci8 n HIS 420 N -0.59 0.00 0.03 4.03 8.25 -1.26 -4.81 115.22 120.86 3ci8 n HIS 420 Ca -0.08 0.00 0.21 0.00 -0.26 0.00 0.00 57.72 57.58 3ci8 n HIS 420 Cb 0.57 -1.81 0.72 0.00 1.12 0.00 0.00 29.99 30.58 3ci8 n HIS 420 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3ci8 h SER 421 N 0.00 0.00 -0.29 0.41 4.64 -1.82 0.13 113.55 116.62 3ci8 h SER 421 Ca 0.00 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.37 3ci8 h SER 421 Cb 0.82 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.87 3ci8 h SER 421 CO 0.00 0.00 0.03 0.77 -0.87 0.00 0.00 176.83 176.76 3ci8 h SER 422 N 0.00 -0.04 -4.00 4.97 4.64 -1.93 -3.43 113.55 113.76 3ci8 h SER 422 Ca 0.24 0.05 -0.52 0.00 -0.47 0.00 0.00 61.79 61.09 3ci8 h SER 422 Cb 1.03 0.08 0.08 0.00 -0.31 0.00 0.00 62.40 63.29 3ci8 h SER 422 CO -0.00 0.01 0.54 -0.76 -0.87 0.00 0.00 176.83 175.75 3ci8 s LEU 423 N -10.38 4.03 0.55 5.97 1.43 0.45 -5.01 118.68 115.73 3ci8 s LEU 423 Ca -0.13 2.49 -0.20 0.00 -1.03 0.00 0.00 54.13 55.25 3ci8 s LEU 423 Cb 0.11 -4.16 -0.05 0.00 0.03 0.00 0.00 46.19 42.12 3ci8 s LEU 423 CO 0.70 -1.04 1.20 -0.62 0.23 0.00 0.00 176.35 176.83 3ci8 s ASP 424 N -1.12 5.53 0.19 2.29 2.15 -1.26 -4.77 116.67 119.68 3ci8 s ASP 424 Ca 0.63 2.38 -0.13 0.00 0.43 0.00 0.00 52.55 55.86 3ci8 s ASP 424 Cb -0.33 -2.60 0.20 0.00 -0.30 0.00 0.00 42.92 39.88 3ci8 s ASP 424 CO 0.41 -1.36 1.68 0.00 -0.17 0.00 0.00 175.17 175.73 3ci8 h VAL 426 N 0.12 0.21 0.00 0.00 2.07 -1.92 -2.55 116.25 114.19 3ci8 h VAL 426 Ca 0.26 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.78 3ci8 h VAL 426 Cb 0.38 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 3ci8 h VAL 426 CO -0.42 0.00 -0.60 0.18 0.02 0.00 0.00 177.57 176.75 3ci8 n LEU 427 N -3.39 0.57 -4.73 2.57 4.77 -0.79 -0.95 117.00 115.05 3ci8 n LEU 427 Ca -0.03 -0.49 -0.41 0.00 -0.03 0.00 0.00 56.01 55.05 3ci8 n LEU 427 Cb 0.09 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.15 3ci8 n LEU 427 CO 0.23 0.14 0.91 -0.60 -1.33 0.00 0.00 177.39 176.75 3ci8 s ARG 428 N -2.18 4.45 0.76 3.23 3.52 -0.49 -4.95 118.95 123.28 3ci8 s ARG 428 Ca 0.04 1.90 -0.14 0.00 -0.13 0.00 0.00 55.73 57.41 3ci8 s ARG 428 Cb 0.09 -3.25 0.06 0.00 -1.56 0.00 0.00 34.95 30.29 3ci8 s ARG 428 CO 0.51 -0.18 1.18 -2.14 -0.81 0.00 0.00 175.30 173.86 3ci8 s PRO 429 N 0.16 1.98 0.46 5.12 0.02 -1.26 -4.89 135.00 136.58 3ci8 s PRO 429 Ca 0.56 1.66 -0.17 0.00 0.02 0.00 0.00 61.00 63.06 3ci8 s PRO 429 Cb -0.33 -1.82 -0.09 0.00 0.02 0.00 0.00 34.50 32.28 3ci8 s PRO 429 CO 0.35 -1.94 0.93 0.95 -0.33 0.00 0.00 177.00 176.96 3ci8 s THR 430 N -2.19 4.52 -0.12 0.99 -4.23 -1.26 -5.00 115.64 108.36 3ci8 s THR 430 Ca 0.72 1.22 0.15 0.00 -1.18 0.00 0.00 61.69 62.60 3ci8 s THR 430 Cb -0.27 -3.67 -0.22 0.00 1.34 0.00 0.00 72.50 69.68 3ci8 s THR 430 CO 0.48 -0.52 0.16 -0.62 -0.54 0.00 0.00 174.62 173.58 3ci8 n GLU 431 N -1.16 1.11 0.00 3.99 1.02 -1.26 -5.07 120.64 119.27 3ci8 n GLU 431 Ca 0.06 -0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 3ci8 n GLU 431 Cb 0.54 -1.41 0.00 0.00 -0.02 0.00 0.00 31.44 30.55 3ci8 n GLU 431 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ci8 n GLY 432 N 1.85 0.74 3.56 0.62 0.00 -1.26 -4.95 105.19 105.77 3ci8 n GLY 432 Ca -0.19 -1.77 -0.24 0.00 0.00 0.00 0.00 46.02 43.81 3ci8 n GLY 432 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3ci8 s TYR 433 N -2.90 2.47 -0.30 1.61 -0.85 0.03 -4.83 117.35 112.58 3ci8 s TYR 433 Ca 0.00 -0.37 -0.18 0.00 -0.52 0.00 0.00 57.07 56.00 3ci8 s TYR 433 Cb 0.00 -1.24 -0.02 0.00 0.38 0.00 0.00 41.96 41.08 3ci8 s TYR 433 CO 0.00 0.61 0.53 -0.51 -1.52 0.00 0.00 175.55 174.65 3ci8 s LEU 434 N -3.62 4.17 -0.28 -3.49 1.43 -1.26 0.14 118.68 115.77 3ci8 s LEU 434 Ca 0.32 0.28 -0.29 0.00 -1.03 0.00 0.00 54.13 53.42 3ci8 s LEU 434 Cb -0.03 -2.65 0.01 0.00 0.03 0.00 0.00 46.19 43.56 3ci8 s LEU 434 CO 0.18 -0.39 1.05 0.00 0.23 0.00 0.00 176.35 177.42 3ci8 s ALA 435 N 2.38 3.58 0.26 4.21 0.00 0.34 -0.75 121.76 131.79 3ci8 s ALA 435 Ca 0.21 0.03 0.08 0.00 0.00 0.00 0.00 51.96 52.28 3ci8 s ALA 435 Cb -0.15 -3.61 -0.05 0.00 0.00 0.00 0.00 23.12 19.30 3ci8 s ALA 435 CO 0.11 -1.29 -0.11 0.14 0.00 0.00 0.00 175.76 174.61 3ci8 s VAL 436 N 3.44 1.85 -0.16 0.00 -7.23 -0.73 0.75 120.40 118.32 3ci8 s VAL 436 Ca 0.44 -2.20 -0.01 0.00 -1.81 0.00 0.00 61.98 58.40 3ci8 s VAL 436 Cb -0.13 -2.33 -0.01 0.00 0.56 0.00 0.00 36.38 34.47 3ci8 s VAL 436 CO 0.11 -0.39 -0.12 0.00 -0.31 0.00 0.00 175.10 174.39 3ci8 s ALA 437 N -2.89 2.62 -0.05 1.32 0.00 -1.26 -2.81 121.76 118.70 3ci8 s ALA 437 Ca 0.28 -1.00 0.07 0.00 0.00 0.00 0.00 51.96 51.30 3ci8 s ALA 437 Cb 0.01 -1.33 -0.01 0.00 0.00 0.00 0.00 23.12 21.79 3ci8 s ALA 437 CO 0.11 0.00 -0.25 0.08 0.00 0.00 0.00 175.76 175.70 3ci8 s VAL 438 N 0.76 2.05 0.32 0.00 1.01 -0.59 -0.67 120.40 123.28 3ci8 s VAL 438 Ca -0.05 -1.08 0.03 0.00 0.00 0.00 0.00 61.98 60.88 3ci8 s VAL 438 Cb -0.15 -1.72 -0.05 0.00 0.00 0.00 0.00 36.38 34.46 3ci8 s VAL 438 CO 0.01 0.57 0.10 0.68 0.00 0.00 0.00 175.10 176.46 3ci8 s VAL 439 N -0.31 0.75 0.05 2.92 -7.23 0.09 -1.96 120.40 114.71 3ci8 s VAL 439 Ca 0.01 -2.00 -0.20 0.00 -1.81 0.00 0.00 61.98 57.97 3ci8 s VAL 439 Cb -0.13 -2.61 -0.06 0.00 0.56 0.00 0.00 36.38 34.14 3ci8 s VAL 439 CO 0.02 0.00 0.60 -0.75 -0.31 0.00 0.00 175.10 174.66 3ci8 s LYS 440 N -3.88 4.27 0.25 4.82 2.47 -1.26 -1.23 119.74 125.18 3ci8 s LYS 440 Ca 0.34 0.77 -0.05 0.00 -1.56 0.00 0.00 55.97 55.46 3ci8 s LYS 440 Cb 0.07 -3.28 0.29 0.00 -1.46 0.00 0.00 37.83 33.45 3ci8 s LYS 440 CO 0.15 0.53 1.91 -0.22 0.16 0.00 0.00 175.35 177.88 3ci8 h LYS 441 N 4.95 1.23 0.00 4.03 3.64 -1.37 -2.19 116.57 126.86 3ci8 h LYS 441 Ca -0.48 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 58.83 3ci8 h LYS 441 Cb 1.21 -0.28 0.00 0.00 -0.41 0.00 0.00 32.23 32.75 3ci8 h LYS 441 CO 0.66 0.81 0.00 0.00 -2.27 0.00 0.00 179.45 178.65 3ci8 n ALA 442 N -2.37 1.21 -2.37 5.00 0.00 -1.26 -3.28 120.51 117.43 3ci8 n ALA 442 Ca 0.13 0.11 -0.43 0.00 0.00 0.00 0.00 53.44 53.25 3ci8 n ALA 442 Cb 0.07 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.27 3ci8 n ALA 442 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3ci8 n ASN 443 N -2.02 5.16 -4.75 0.00 2.85 -0.83 -4.99 115.26 110.68 3ci8 n ASN 443 Ca 0.00 -3.13 -0.35 0.00 -0.11 0.00 0.00 54.58 50.99 3ci8 n ASN 443 Cb 0.08 -1.47 0.05 0.00 1.24 0.00 0.00 39.78 39.68 3ci8 n ASN 443 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 3ci8 s GLU 444 N 0.21 2.79 0.00 1.20 2.02 -1.21 -3.35 118.70 120.37 3ci8 s GLU 444 Ca 0.39 1.74 0.00 0.00 0.02 0.00 0.00 54.97 57.12 3ci8 s GLU 444 Cb 0.09 -1.92 0.00 0.00 0.10 0.00 0.00 34.13 32.41 3ci8 s GLU 444 CO 0.01 -1.33 0.00 0.41 0.02 0.00 0.00 175.26 174.37 3ci8 n GLY 445 N 0.33 0.21 3.64 -1.39 0.00 -1.26 -4.97 105.19 101.75 3ci8 n GLY 445 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 3ci8 n GLY 445 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ci8 s LEU 446 N 0.00 4.10 0.39 0.99 2.96 -1.21 -4.92 118.68 120.99 3ci8 s LEU 446 Ca 0.00 0.65 0.06 0.00 -0.22 0.00 0.00 54.13 54.61 3ci8 s LEU 446 Cb 0.00 -2.73 -0.02 0.00 0.50 0.00 0.00 46.19 43.94 3ci8 s LEU 446 CO 0.00 -0.25 0.21 0.42 -1.32 0.00 0.00 176.35 175.40 3ci8 s THR 447 N 2.01 0.29 0.39 3.68 -4.23 -1.26 -4.98 115.64 111.55 3ci8 s THR 447 Ca 0.24 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 58.81 3ci8 s THR 447 Cb -0.16 -2.36 0.27 0.00 1.34 0.00 0.00 72.50 71.59 3ci8 s THR 447 CO 0.09 0.00 2.04 -0.25 -0.54 0.00 0.00 174.62 175.96 3ci8 h TRP 448 N 1.87 0.59 0.00 3.99 2.91 -1.83 -2.09 115.95 121.40 3ci8 h TRP 448 Ca -0.30 0.01 0.00 0.00 1.13 0.00 0.00 58.89 59.74 3ci8 h TRP 448 Cb 1.26 -0.20 0.00 0.00 -0.51 0.00 0.00 29.16 29.71 3ci8 h TRP 448 CO 1.76 0.37 0.00 0.09 -1.03 0.00 0.00 178.44 179.62 3ci8 n ASN 449 N -4.47 0.00 -0.44 2.65 3.02 -1.26 -3.45 115.26 111.31 3ci8 n ASN 449 Ca 0.05 0.30 0.07 0.00 -0.03 0.00 0.00 54.58 54.97 3ci8 n ASN 449 Cb 0.07 -0.43 0.18 0.00 -0.61 0.00 0.00 39.78 39.00 3ci8 n ASN 449 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3ci8 n SER 450 N -1.43 2.31 0.22 6.41 3.41 -0.79 -4.71 113.62 119.04 3ci8 n SER 450 Ca 0.08 -3.42 0.14 0.00 -0.26 0.00 0.00 58.87 55.41 3ci8 n SER 450 Cb 0.27 -0.50 0.48 0.00 -0.26 0.00 0.00 64.21 64.20 3ci8 n SER 450 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3ci8 h LEU 451 N 0.62 0.00 -9.68 1.04 3.38 -1.58 -3.45 115.31 105.64 3ci8 h LEU 451 Ca 0.02 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.44 3ci8 h LEU 451 Cb 1.11 0.00 0.08 0.00 0.09 0.00 0.00 40.66 41.94 3ci8 h LEU 451 CO 0.06 0.00 0.77 1.17 0.09 0.00 0.00 178.44 180.53 3ci8 n LYS 452 N -2.86 2.38 -1.44 1.13 4.81 -1.26 -1.82 118.16 119.10 3ci8 n LYS 452 Ca 0.02 0.85 -0.14 0.00 -0.87 0.00 0.00 58.31 58.17 3ci8 n LYS 452 Cb 0.37 -2.58 -0.06 0.00 0.02 0.00 0.00 35.03 32.78 3ci8 n LYS 452 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3ci8 n ASP 453 N 2.38 -4.65 -4.97 3.14 10.43 0.34 -4.95 116.55 118.27 3ci8 n ASP 453 Ca 0.11 0.33 -0.20 0.00 2.57 0.00 0.00 54.79 57.59 3ci8 n ASP 453 Cb 0.34 -3.40 0.07 0.00 1.84 0.00 0.00 41.12 39.97 3ci8 n ASP 453 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 3ci8 s LYS 454 N -3.25 2.20 -0.17 -1.24 -0.14 -0.75 -4.00 119.74 112.39 3ci8 s LYS 454 Ca 0.00 -1.55 -0.09 0.00 -1.36 0.00 0.00 55.97 52.97 3ci8 s LYS 454 Cb 0.00 -2.59 -0.05 0.00 -1.68 0.00 0.00 37.83 33.51 3ci8 s LYS 454 CO 0.00 -0.96 0.13 0.15 -0.76 0.00 0.00 175.35 173.91 3ci8 s LYS 455 N -4.75 3.93 0.22 1.68 1.02 -1.26 -1.28 119.74 119.30 3ci8 s LYS 455 Ca 0.63 -0.21 0.11 0.00 0.02 0.00 0.00 55.97 56.52 3ci8 s LYS 455 Cb -0.06 -3.32 -0.05 0.00 -0.52 0.00 0.00 37.83 33.88 3ci8 s LYS 455 CO 0.40 0.45 -0.20 -1.54 -0.92 0.00 0.00 175.35 173.54 3ci8 s SER 456 N -0.08 3.24 -0.12 2.83 1.04 -0.60 0.30 113.70 120.31 3ci8 s SER 456 Ca 0.10 -0.95 -0.01 0.00 0.48 0.00 0.00 55.95 55.57 3ci8 s SER 456 Cb -0.11 -0.24 0.03 0.00 0.10 0.00 0.00 66.02 65.80 3ci8 s SER 456 CO 0.00 0.02 -0.05 0.00 0.98 0.00 0.00 173.24 174.20 3ci8 s HIS 458 N 1.76 2.37 0.14 0.00 3.76 -0.58 -1.41 115.29 121.32 3ci8 s HIS 458 Ca 0.04 -0.35 -0.18 0.00 -0.15 0.00 0.00 55.06 54.42 3ci8 s HIS 458 Cb -0.13 -1.26 -0.01 0.00 1.11 0.00 0.00 32.58 32.28 3ci8 s HIS 458 CO -0.07 0.37 1.78 1.79 -0.85 0.00 0.00 174.74 177.76 3ci8 h THR 459 N 3.69 1.03 0.00 1.30 1.35 -1.74 -3.41 112.91 115.14 3ci8 h THR 459 Ca -0.50 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 65.24 3ci8 h THR 459 Cb 1.17 0.64 0.00 0.00 -1.73 0.00 0.00 68.15 68.24 3ci8 h THR 459 CO 0.42 0.06 0.00 0.00 -0.25 0.00 0.00 175.52 175.76 3ci8 n ALA 460 N -2.21 0.00 -1.71 6.62 0.00 -1.26 -0.78 120.51 121.17 3ci8 n ALA 460 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.03 3ci8 n ALA 460 Cb 0.05 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.52 3ci8 n ALA 460 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3ci8 n VAL 461 N -0.25 2.85 -0.93 0.00 0.31 0.49 -2.63 118.33 118.18 3ci8 n VAL 461 Ca 0.00 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.83 3ci8 n VAL 461 Cb 0.00 -1.60 0.00 0.00 -0.91 0.00 0.00 33.84 31.33 3ci8 n VAL 461 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 3ci8 n ASP 462 N -0.09 0.00 -4.90 4.52 8.00 -1.26 -4.96 116.55 117.85 3ci8 n ASP 462 Ca 0.07 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.29 3ci8 n ASP 462 Cb 0.41 -0.11 -0.02 0.00 -0.02 0.00 0.00 41.12 41.38 3ci8 n ASP 462 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3ci8 s ARG 463 N -0.04 3.64 0.02 -1.24 0.52 -1.08 -4.09 118.95 116.67 3ci8 s ARG 463 Ca 0.00 0.17 -0.10 0.00 -0.52 0.00 0.00 55.73 55.28 3ci8 s ARG 463 Cb 0.00 -2.49 -0.05 0.00 0.52 0.00 0.00 34.95 32.92 3ci8 s ARG 463 CO 0.00 0.01 1.15 1.15 0.02 0.00 0.00 175.30 177.63 3ci8 h THR 464 N 0.90 0.00 0.02 0.02 2.02 -1.92 0.18 112.91 114.13 3ci8 h THR 464 Ca -0.47 0.00 -0.24 0.00 0.77 0.00 0.00 66.41 66.47 3ci8 h THR 464 Cb 1.20 0.00 0.01 0.00 -1.74 0.00 0.00 68.15 67.61 3ci8 h THR 464 CO 0.64 0.00 -1.00 0.00 0.37 0.00 0.00 175.52 175.52 3ci8 h ALA 465 N -1.78 0.29 0.00 6.16 0.00 -1.90 -0.15 119.26 121.88 3ci8 h ALA 465 Ca -0.03 -0.73 -0.04 0.00 0.00 0.00 0.00 54.91 54.10 3ci8 h ALA 465 Cb 0.27 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3ci8 h ALA 465 CO 0.05 0.82 -0.21 0.78 0.00 0.00 0.00 179.25 180.68 3ci8 h GLY 466 N 1.17 0.00 0.00 0.00 0.00 -1.69 -3.40 103.07 99.15 3ci8 h GLY 466 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.23 3ci8 h GLY 466 CO 0.18 0.00 0.00 1.87 0.00 0.00 0.00 176.54 178.59 3ci8 n TRP 467 N -3.21 -2.52 -0.12 5.60 -0.00 -0.69 -4.23 117.44 112.28 3ci8 n TRP 467 Ca 0.02 0.45 -0.05 0.00 -0.00 0.00 0.00 57.50 57.92 3ci8 n TRP 467 Cb 0.55 0.59 0.03 0.00 -0.00 0.00 0.00 31.31 32.47 3ci8 n TRP 467 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 177.69 176.78 3ci8 h ASN 468 N 0.00 0.02 0.18 5.87 2.35 -0.62 -0.79 115.58 122.58 3ci8 h ASN 468 Ca 0.00 0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 55.81 3ci8 h ASN 468 Cb 0.00 0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.46 3ci8 h ASN 468 CO 0.00 0.05 -0.09 0.40 -1.65 0.00 0.00 177.43 176.14 3ci8 h ILE 469 N 0.21 0.88 -0.64 2.81 1.08 -1.25 -2.28 117.51 118.32 3ci8 h ILE 469 Ca 0.19 -1.00 -0.05 0.00 -0.39 0.00 0.00 64.86 63.61 3ci8 h ILE 469 Cb 0.22 1.41 -0.03 0.00 -3.07 0.00 0.00 36.82 35.36 3ci8 h ILE 469 CO -0.24 0.20 0.22 1.55 -0.69 0.00 0.00 178.15 179.19 3ci8 h PRO 470 N -0.79 0.98 0.00 2.37 0.13 -1.77 -1.74 132.00 131.18 3ci8 h PRO 470 Ca -0.02 -0.20 -0.16 0.00 -0.87 0.00 0.00 66.00 64.75 3ci8 h PRO 470 Cb 0.52 -0.15 -0.02 0.00 0.13 0.00 0.00 31.00 31.48 3ci8 h PRO 470 CO 0.04 0.85 -0.75 0.52 -0.23 0.00 0.00 178.00 178.44 3ci8 h MET 471 N 0.91 0.00 -0.18 0.86 2.86 -1.27 -1.13 114.93 116.98 3ci8 h MET 471 Ca 0.21 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.70 3ci8 h MET 471 Cb 0.27 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.92 3ci8 h MET 471 CO -0.01 0.75 -0.51 0.78 1.06 0.00 0.00 176.91 178.98 3ci8 h GLY 472 N 2.42 0.55 0.98 8.32 0.00 -1.35 -0.34 103.07 113.65 3ci8 h GLY 472 Ca -0.01 -0.61 -0.11 0.00 0.00 0.00 0.00 47.33 46.60 3ci8 h GLY 472 CO 0.10 0.55 -0.22 1.41 0.00 0.00 0.00 176.54 178.37 3ci8 h LEU 473 N 0.39 0.77 -0.63 3.11 3.38 -1.13 -2.13 115.31 119.07 3ci8 h LEU 473 Ca 0.02 -0.43 -0.13 0.00 0.09 0.00 0.00 57.88 57.42 3ci8 h LEU 473 Cb 1.03 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 3ci8 h LEU 473 CO 0.09 1.04 -0.34 0.40 0.09 0.00 0.00 178.44 179.72 3ci8 h ILE 474 N 0.51 1.28 0.22 1.22 2.04 -1.10 -1.11 117.51 120.58 3ci8 h ILE 474 Ca 0.07 -1.49 -0.01 0.00 1.00 0.00 0.00 64.86 64.43 3ci8 h ILE 474 Cb 0.78 1.41 0.00 0.00 -0.74 0.00 0.00 36.82 38.27 3ci8 h ILE 474 CO 0.06 0.48 -0.11 0.58 0.00 0.00 0.00 178.15 179.17 3ci8 h VAL 475 N 0.59 0.84 -0.21 1.67 2.07 -1.07 -1.73 116.25 118.41 3ci8 h VAL 475 Ca 0.06 -0.34 0.06 0.00 0.82 0.00 0.00 66.70 67.30 3ci8 h VAL 475 Cb 0.86 1.04 -0.07 0.00 -1.52 0.00 0.00 31.29 31.60 3ci8 h VAL 475 CO 0.07 0.08 -0.28 0.78 0.02 0.00 0.00 177.57 178.24 3ci8 h ASN 476 N -0.47 -0.89 -0.02 0.57 4.21 -1.25 -0.95 115.58 116.78 3ci8 h ASN 476 Ca -0.03 0.15 -0.01 0.00 1.21 0.00 0.00 56.30 57.61 3ci8 h ASN 476 Cb 0.35 0.40 -0.01 0.00 -1.12 0.00 0.00 38.32 37.95 3ci8 h ASN 476 CO 0.05 -0.32 -0.01 1.56 -1.29 0.00 0.00 177.43 177.42 3ci8 h GLN 477 N -0.31 0.10 -0.01 0.81 4.20 -1.16 -3.06 115.11 115.68 3ci8 h GLN 477 Ca 0.12 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.82 3ci8 h GLN 477 Cb 0.50 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.26 3ci8 h GLN 477 CO -0.39 0.12 -0.57 0.25 -0.67 0.00 0.00 178.83 177.58 3ci8 n THR 478 N -4.46 0.00 -3.33 -0.54 -2.24 -0.66 -4.97 114.28 98.09 3ci8 n THR 478 Ca -0.02 -0.17 -0.24 0.00 -2.27 0.00 0.00 64.05 61.35 3ci8 n THR 478 Cb 0.13 1.02 0.03 0.00 -2.10 0.00 0.00 70.33 69.41 3ci8 n THR 478 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ci8 n GLY 479 N 1.43 -0.52 3.17 3.38 0.00 -0.41 -4.98 105.19 107.26 3ci8 n GLY 479 Ca 0.08 0.15 -0.13 0.00 0.00 0.00 0.00 46.02 46.13 3ci8 n GLY 479 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ci8 s SER 480 N -2.89 -0.27 0.00 1.61 0.15 -1.23 -5.03 113.70 106.03 3ci8 s SER 480 Ca 0.43 0.50 0.20 0.00 0.70 0.00 0.00 55.95 57.77 3ci8 s SER 480 Cb -0.20 0.54 0.67 0.00 -1.71 0.00 0.00 66.02 65.31 3ci8 s SER 480 CO 0.53 -0.13 1.50 0.00 1.20 0.00 0.00 173.24 176.34 3ci8 n ALA 482 N 0.43 6.16 0.24 0.00 0.00 -1.26 -4.57 120.51 121.51 3ci8 n ALA 482 Ca 0.16 -1.93 0.16 0.00 0.00 0.00 0.00 53.44 51.83 3ci8 n ALA 482 Cb 0.34 -2.15 0.86 0.00 0.00 0.00 0.00 19.45 18.50 3ci8 n ALA 482 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3ci8 h PHE 483 N 2.79 0.00 0.00 0.00 -0.00 -1.97 -0.37 116.94 117.39 3ci8 h PHE 483 Ca 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.19 3ci8 h PHE 483 Cb 1.29 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.24 3ci8 h PHE 483 CO 1.57 0.00 0.00 -0.40 -0.00 0.00 0.00 178.31 179.48 3ci8 n ASP 484 N -2.60 0.00 0.00 -0.68 5.75 -1.26 -3.20 116.55 114.55 3ci8 n ASP 484 Ca -0.02 -0.45 0.00 0.00 -0.01 0.00 0.00 54.79 54.31 3ci8 n ASP 484 Cb 0.05 -0.16 0.00 0.00 -1.03 0.00 0.00 41.12 39.98 3ci8 n ASP 484 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3ci8 n GLU 485 N -1.16 0.86 -0.03 0.11 1.02 -0.15 -4.80 120.64 116.49 3ci8 n GLU 485 Ca 0.17 -0.38 -0.13 0.00 -0.02 0.00 0.00 57.16 56.79 3ci8 n GLU 485 Cb 0.17 -0.88 -0.09 0.00 -0.02 0.00 0.00 31.44 30.61 3ci8 n GLU 485 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 3ci8 h PHE 486 N 0.00 0.15 -3.13 -0.32 3.57 -1.55 -3.45 116.94 112.21 3ci8 h PHE 486 Ca 0.00 -0.05 -0.59 0.00 3.53 0.00 0.00 57.97 60.86 3ci8 h PHE 486 Cb 0.00 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 38.67 3ci8 h PHE 486 CO 0.00 0.60 -0.26 -0.06 -2.23 0.00 0.00 178.31 176.36 3ci8 s PHE 487 N -4.18 3.55 0.09 0.41 0.08 -1.26 -0.50 117.98 116.17 3ci8 s PHE 487 Ca -0.15 0.74 -0.21 0.00 0.12 0.00 0.00 56.93 57.42 3ci8 s PHE 487 Cb 0.03 -2.13 -0.11 0.00 -0.57 0.00 0.00 43.02 40.24 3ci8 s PHE 487 CO 0.70 0.49 1.68 0.66 -0.10 0.00 0.00 175.22 178.65 3ci8 h SER 488 N 3.49 0.16 -5.06 1.36 4.64 -1.32 -3.46 113.55 113.36 3ci8 h SER 488 Ca -0.48 -0.09 -0.11 0.00 -0.47 0.00 0.00 61.79 60.63 3ci8 h SER 488 Cb 1.19 -0.04 -0.18 0.00 -0.31 0.00 0.00 62.40 63.06 3ci8 h SER 488 CO 0.68 0.21 -0.39 -1.10 -0.87 0.00 0.00 176.83 175.36 3ci8 s GLN 489 N -5.82 0.68 0.20 4.77 -0.21 -1.25 -4.92 119.66 113.11 3ci8 s GLN 489 Ca -0.13 -0.59 -0.12 0.00 0.02 0.00 0.00 55.36 54.53 3ci8 s GLN 489 Cb 0.07 0.28 -0.00 0.00 1.00 0.00 0.00 33.01 34.36 3ci8 s GLN 489 CO 0.69 -0.20 0.40 -1.12 -2.12 0.00 0.00 175.29 172.94 3ci8 s SER 490 N -2.01 -0.06 -0.28 5.90 0.01 -0.45 -1.55 113.70 115.25 3ci8 s SER 490 Ca -0.06 -0.83 0.02 0.00 1.31 0.00 0.00 55.95 56.40 3ci8 s SER 490 Cb -0.02 0.52 0.08 0.00 0.21 0.00 0.00 66.02 66.81 3ci8 s SER 490 CO -0.03 -1.01 -0.03 0.00 0.41 0.00 0.00 173.24 172.58 3ci8 s ALA 492 N 1.15 2.21 0.06 0.00 0.00 0.88 -1.53 121.76 124.52 3ci8 s ALA 492 Ca -0.00 -2.74 -0.37 0.00 0.00 0.00 0.00 51.96 48.85 3ci8 s ALA 492 Cb -0.19 -1.86 -0.16 0.00 0.00 0.00 0.00 23.12 20.91 3ci8 s ALA 492 CO -0.08 -2.05 1.39 -2.30 0.00 0.00 0.00 175.76 172.71 3ci8 n PRO 493 N 3.15 1.21 0.00 0.00 -0.02 -1.26 -2.45 135.00 135.63 3ci8 n PRO 493 Ca 0.15 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 3ci8 n PRO 493 Cb 0.38 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 3ci8 n PRO 493 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ci8 n GLY 494 N 2.70 0.53 3.99 -1.23 0.00 -0.00 -0.38 105.19 110.81 3ci8 n GLY 494 Ca 0.19 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.98 3ci8 n GLY 494 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ci8 s ALA 495 N -2.00 3.76 -0.01 4.61 0.00 -1.03 -4.92 121.76 122.18 3ci8 s ALA 495 Ca 0.00 -1.69 -0.30 0.00 0.00 0.00 0.00 51.96 49.97 3ci8 s ALA 495 Cb 0.00 -2.00 -0.07 0.00 0.00 0.00 0.00 23.12 21.05 3ci8 s ALA 495 CO 0.00 -1.35 1.71 0.34 0.00 0.00 0.00 175.76 176.46 3ci8 s ASP 496 N -4.69 6.61 0.52 0.00 2.15 -1.26 -4.89 116.67 115.11 3ci8 s ASP 496 Ca 0.65 2.38 0.30 0.00 0.43 0.00 0.00 52.55 56.31 3ci8 s ASP 496 Cb -0.06 -2.54 1.43 0.00 -0.30 0.00 0.00 42.92 41.45 3ci8 s ASP 496 CO 0.43 -0.94 1.87 -0.65 -0.17 0.00 0.00 175.17 175.72 3ci8 h PRO 497 N 9.43 0.06 0.00 4.34 0.11 -1.94 0.12 132.00 144.12 3ci8 h PRO 497 Ca -0.42 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3ci8 h PRO 497 Cb 1.20 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3ci8 h PRO 497 CO 0.94 0.04 -0.15 1.63 -0.21 0.00 0.00 178.00 180.25 3ci8 n LYS 498 N -4.30 0.22 -2.12 1.05 5.02 -1.26 -4.64 118.16 112.12 3ci8 n LYS 498 Ca 0.19 0.15 -0.29 0.00 -2.02 0.00 0.00 58.31 56.34 3ci8 n LYS 498 Cb 0.95 -1.72 0.02 0.00 -0.02 0.00 0.00 35.03 34.27 3ci8 n LYS 498 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3ci8 s SER 499 N -4.17 5.85 0.21 4.39 1.04 0.42 -4.97 113.70 116.47 3ci8 s SER 499 Ca 0.10 1.09 0.20 0.00 0.48 0.00 0.00 55.95 57.82 3ci8 s SER 499 Cb 0.14 -2.10 0.89 0.00 0.10 0.00 0.00 66.02 65.05 3ci8 s SER 499 CO 0.62 -1.01 1.61 -2.11 0.98 0.00 0.00 173.24 173.32 3ci8 n ARG 500 N -2.71 0.14 0.00 4.02 1.85 -1.26 -1.59 116.66 117.11 3ci8 n ARG 500 Ca 0.05 0.44 0.13 0.00 -1.00 0.00 0.00 57.85 57.47 3ci8 n ARG 500 Cb 0.56 -1.80 0.66 0.00 -1.05 0.00 0.00 32.46 30.83 3ci8 n ARG 500 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 3ci8 n LEU 501 N -2.06 0.00 -0.02 2.89 4.77 -1.26 -1.35 117.00 119.97 3ci8 n LEU 501 Ca 0.01 0.32 0.01 0.00 -0.03 0.00 0.00 56.01 56.32 3ci8 n LEU 501 Cb 0.16 -0.32 -0.01 0.00 -2.33 0.00 0.00 43.42 40.93 3ci8 n LEU 501 CO 0.15 -0.04 0.07 0.00 -1.33 0.00 0.00 177.39 176.25 3ci8 h ALA 503 N 0.30 2.41 -0.00 0.00 0.00 -1.37 -1.24 119.26 119.36 3ci8 h ALA 503 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3ci8 h ALA 503 Cb 0.06 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3ci8 h ALA 503 CO 0.00 -0.64 -0.57 1.28 0.00 0.00 0.00 179.25 179.32 3ci8 n LEU 504 N -4.25 0.84 -4.78 0.00 4.32 0.03 -4.93 117.00 108.23 3ci8 n LEU 504 Ca 0.09 -0.23 -0.37 0.00 -0.02 0.00 0.00 56.01 55.48 3ci8 n LEU 504 Cb 0.59 -0.15 -0.03 0.00 -1.62 0.00 0.00 43.42 42.22 3ci8 n LEU 504 CO 0.35 0.19 0.78 0.00 -1.22 0.00 0.00 177.39 177.49 3ci8 n ALA 506 N -0.12 3.06 0.00 0.00 0.00 -1.26 -4.80 120.51 117.39 3ci8 n ALA 506 Ca 0.05 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.16 3ci8 n ALA 506 Cb 0.48 -0.45 0.00 0.00 0.00 0.00 0.00 19.45 19.48 3ci8 n ALA 506 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ci8 n GLY 507 N 1.53 -1.59 0.00 0.00 0.00 -1.26 -4.51 105.19 99.36 3ci8 n GLY 507 Ca -0.00 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.69 3ci8 n GLY 507 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ci8 n ASP 508 N 0.15 0.00 -0.35 1.61 5.68 0.23 -1.85 116.55 122.02 3ci8 n ASP 508 Ca 0.00 -0.85 0.36 0.00 -0.50 0.00 0.00 54.79 53.80 3ci8 n ASP 508 Cb 0.00 0.00 0.75 0.00 -1.14 0.00 0.00 41.12 40.73 3ci8 n ASP 508 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 3ci8 h ASP 509 N 0.00 0.02 -0.02 -1.12 3.32 -1.89 -0.96 116.42 115.78 3ci8 h ASP 509 Ca 0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3ci8 h ASP 509 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3ci8 h ASP 509 CO 0.00 0.00 -0.07 0.00 -1.72 0.00 0.00 179.24 177.45 3ci8 n GLN 510 N -4.19 1.61 -0.46 3.56 6.02 -1.26 -4.98 117.38 117.69 3ci8 n GLN 510 Ca 0.27 -1.47 0.00 0.00 -0.01 0.00 0.00 57.00 55.79 3ci8 n GLN 510 Cb 1.28 -1.36 0.00 0.00 1.02 0.00 0.00 30.24 31.19 3ci8 n GLN 510 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ci8 n GLY 511 N 1.09 0.74 3.92 1.08 0.00 -0.36 -5.06 105.19 106.61 3ci8 n GLY 511 Ca 0.10 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.87 3ci8 n GLY 511 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ci8 s LEU 512 N 0.00 3.52 -1.36 0.99 1.43 -1.26 -4.36 118.68 117.63 3ci8 s LEU 512 Ca 0.00 0.65 -0.01 0.00 -1.03 0.00 0.00 54.13 53.74 3ci8 s LEU 512 Cb 0.00 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.69 3ci8 s LEU 512 CO 0.00 -0.77 0.14 0.47 0.23 0.00 0.00 176.35 176.43 3ci8 n ASP 513 N -2.30 -4.98 -4.69 2.29 8.00 -1.26 -0.60 116.55 113.02 3ci8 n ASP 513 Ca 0.02 -0.08 -0.43 0.00 0.71 0.00 0.00 54.79 55.01 3ci8 n ASP 513 Cb 0.57 -4.01 -0.03 0.00 -0.02 0.00 0.00 41.12 37.63 3ci8 n ASP 513 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 3ci8 n LYS 514 N -2.81 2.74 -1.02 -1.24 4.81 -1.26 -2.00 118.16 117.38 3ci8 n LYS 514 Ca -0.16 1.00 -0.01 0.00 -0.87 0.00 0.00 58.31 58.27 3ci8 n LYS 514 Cb 0.63 -2.88 -0.00 0.00 0.02 0.00 0.00 35.03 32.80 3ci8 n LYS 514 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3ci8 s VAL 516 N -1.72 2.89 -1.44 0.00 -7.23 -0.85 -0.82 120.40 111.23 3ci8 s VAL 516 Ca 0.00 0.81 -0.08 0.00 -1.81 0.00 0.00 61.98 60.89 3ci8 s VAL 516 Cb 0.00 -3.48 0.04 0.00 0.56 0.00 0.00 36.38 33.51 3ci8 s VAL 516 CO 0.00 0.13 2.50 -0.81 -0.31 0.00 0.00 175.10 176.61 3ci8 n PRO 517 N 0.34 3.98 -3.91 4.82 -0.04 -1.26 -4.48 135.00 134.44 3ci8 n PRO 517 Ca 0.03 -2.94 -0.09 0.00 -0.04 0.00 0.00 63.50 60.45 3ci8 n PRO 517 Cb 0.44 -2.80 -0.05 0.00 -0.04 0.00 0.00 33.50 31.06 3ci8 n PRO 517 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3ci8 s ASN 518 N 1.35 -0.13 0.00 3.54 2.20 -1.26 -4.56 114.94 116.09 3ci8 s ASN 518 Ca 0.57 -0.77 0.06 0.00 -0.94 0.00 0.00 52.86 51.78 3ci8 s ASN 518 Cb 0.17 0.57 0.37 0.00 -2.00 0.00 0.00 41.25 40.36 3ci8 s ASN 518 CO -0.07 -1.10 0.82 -1.54 -2.94 0.00 0.00 177.10 172.28 3ci8 n SER 519 N -0.35 0.00 0.12 3.54 3.41 -1.26 -1.77 113.62 117.31 3ci8 n SER 519 Ca -0.05 -0.22 -0.02 0.00 -0.26 0.00 0.00 58.87 58.32 3ci8 n SER 519 Cb 0.62 0.00 0.14 0.00 -0.26 0.00 0.00 64.21 64.71 3ci8 n SER 519 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3ci8 h LYS 520 N 0.00 0.04 -6.27 4.33 1.57 -1.95 -3.42 116.57 110.88 3ci8 h LYS 520 Ca 0.00 -0.03 -0.55 0.00 -1.87 0.00 0.00 60.65 58.19 3ci8 h LYS 520 Cb 0.00 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 3ci8 h LYS 520 CO 0.00 0.68 0.80 -2.00 -0.57 0.00 0.00 179.45 178.36 3ci8 s GLU 521 N -3.56 4.29 0.28 3.15 2.56 -0.73 -3.32 118.70 121.38 3ci8 s GLU 521 Ca -0.02 1.75 0.02 0.00 0.00 0.00 0.00 54.97 56.72 3ci8 s GLU 521 Cb 0.12 -3.64 0.62 0.00 2.00 0.00 0.00 34.13 33.23 3ci8 s GLU 521 CO 0.77 -0.57 1.78 -0.22 -0.56 0.00 0.00 175.26 176.47 3ci8 h LYS 522 N 7.85 0.73 -0.89 4.30 3.64 -1.62 -2.71 116.57 127.88 3ci8 h LYS 522 Ca -0.33 -0.04 -0.46 0.00 -1.27 0.00 0.00 60.65 58.55 3ci8 h LYS 522 Cb 1.15 -0.17 -0.27 0.00 -0.41 0.00 0.00 32.23 32.53 3ci8 h LYS 522 CO 0.92 0.49 0.53 0.66 -2.27 0.00 0.00 179.45 179.77 3ci8 n TYR 523 N -4.78 2.74 -3.15 1.91 4.01 -1.26 -4.48 117.16 112.15 3ci8 n TYR 523 Ca 0.20 -1.79 -0.33 0.00 -0.16 0.00 0.00 57.90 55.82 3ci8 n TYR 523 Cb 0.48 -0.87 -0.06 0.00 -0.31 0.00 0.00 39.34 38.58 3ci8 n TYR 523 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 3ci8 s TYR 524 N -3.28 3.43 0.05 -0.72 5.04 -1.02 -2.98 117.35 117.85 3ci8 s TYR 524 Ca 0.55 1.23 0.00 0.00 -2.44 0.00 0.00 57.07 56.41 3ci8 s TYR 524 Cb 0.47 -2.54 0.00 0.00 0.35 0.00 0.00 41.96 40.24 3ci8 s TYR 524 CO 0.09 0.15 0.00 0.41 -1.34 0.00 0.00 175.55 174.86 3ci8 n GLY 525 N -0.14 -1.92 0.09 8.97 0.00 0.04 -2.01 105.19 110.22 3ci8 n GLY 525 Ca 0.02 -1.35 -0.12 0.00 0.00 0.00 0.00 46.02 44.58 3ci8 n GLY 525 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3ci8 h TYR 526 N -0.18 -0.12 -0.43 1.61 0.05 -1.93 -1.17 116.97 114.79 3ci8 h TYR 526 Ca 0.00 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.70 3ci8 h TYR 526 Cb 0.18 0.05 -0.01 0.00 1.01 0.00 0.00 36.73 37.96 3ci8 h TYR 526 CO 0.00 -0.08 -0.08 1.15 -1.05 0.00 0.00 178.16 178.11 3ci8 h THR 527 N -0.09 1.27 -0.62 -2.88 2.02 -1.88 -2.57 112.91 108.16 3ci8 h THR 527 Ca 0.02 -1.17 -0.08 0.00 0.77 0.00 0.00 66.41 65.95 3ci8 h THR 527 Cb 0.11 1.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.64 3ci8 h THR 527 CO -0.04 0.40 0.06 1.23 0.37 0.00 0.00 175.52 177.53 3ci8 h GLY 528 N 0.64 1.12 1.48 2.16 0.00 -1.32 -0.83 103.07 106.32 3ci8 h GLY 528 Ca 0.11 -0.76 -0.11 0.00 0.00 0.00 0.00 47.33 46.57 3ci8 h GLY 528 CO 0.04 0.70 -0.29 0.00 0.00 0.00 0.00 176.54 176.99 3ci8 h ALA 529 N 1.09 0.95 -0.05 3.60 0.00 -1.11 -1.30 119.26 122.46 3ci8 h ALA 529 Ca 0.19 -0.38 -0.16 0.00 0.00 0.00 0.00 54.91 54.55 3ci8 h ALA 529 Cb 0.47 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3ci8 h ALA 529 CO 0.02 0.61 -0.69 0.35 0.00 0.00 0.00 179.25 179.54 3ci8 h PHE 530 N 0.51 0.32 -0.32 0.00 3.57 -1.28 -2.98 116.94 116.76 3ci8 h PHE 530 Ca 0.06 -0.14 -0.09 0.00 3.53 0.00 0.00 57.97 61.33 3ci8 h PHE 530 Cb 0.76 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.44 3ci8 h PHE 530 CO 0.03 0.85 -0.19 -0.09 -2.23 0.00 0.00 178.31 176.68 3ci8 h ARG 531 N 0.17 0.59 -0.78 1.11 2.43 -0.89 0.28 114.38 117.30 3ci8 h ARG 531 Ca -0.02 -0.21 0.01 0.00 -0.81 0.00 0.00 59.98 58.95 3ci8 h ARG 531 Cb 1.23 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.70 3ci8 h ARG 531 CO 0.11 0.75 0.51 0.00 -1.51 0.00 0.00 179.97 179.83 3ci8 h LEU 533 N 1.04 0.36 -2.06 0.00 5.85 -1.31 -0.77 115.31 118.42 3ci8 h LEU 533 Ca 0.29 -0.90 0.11 0.00 0.84 0.00 0.00 57.88 58.21 3ci8 h LEU 533 Cb -0.10 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.80 3ci8 h LEU 533 CO -0.07 1.43 0.32 0.00 -0.34 0.00 0.00 178.44 179.78 3ci8 h ALA 534 N 0.00 2.20 -0.10 1.25 0.00 -0.16 0.89 119.26 123.33 3ci8 h ALA 534 Ca -0.19 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3ci8 h ALA 534 Cb 1.59 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.41 3ci8 h ALA 534 CO 0.09 -0.52 0.00 0.39 0.00 0.00 0.00 179.25 179.21 3ci8 n GLU 535 N -4.09 2.08 -2.24 0.00 1.02 -0.01 -4.96 120.64 112.44 3ci8 n GLU 535 Ca 0.06 -1.58 -0.13 0.00 -0.02 0.00 0.00 57.16 55.49 3ci8 n GLU 535 Cb 0.50 -1.47 -0.01 0.00 -0.02 0.00 0.00 31.44 30.45 3ci8 n GLU 535 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3ci8 n ASP 536 N 0.88 -4.11 0.08 1.62 8.00 0.31 -4.90 116.55 118.42 3ci8 n ASP 536 Ca 0.17 -0.01 -0.22 0.00 0.71 0.00 0.00 54.79 55.44 3ci8 n ASP 536 Cb 0.49 -3.29 -0.14 0.00 -0.02 0.00 0.00 41.12 38.16 3ci8 n ASP 536 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3ci8 h VAL 537 N 0.00 1.36 -1.80 2.53 2.07 -1.37 -3.46 116.25 115.58 3ci8 h VAL 537 Ca -0.31 -2.46 -0.61 0.00 0.82 0.00 0.00 66.70 64.14 3ci8 h VAL 537 Cb 1.23 2.88 -0.12 0.00 -1.52 0.00 0.00 31.29 33.75 3ci8 h VAL 537 CO 0.37 0.73 -0.61 -0.83 0.02 0.00 0.00 177.57 177.25 3ci8 s GLY 538 N -4.41 2.28 0.06 2.17 0.00 -1.00 -4.91 107.32 101.50 3ci8 s GLY 538 Ca -0.11 -2.13 0.19 0.00 0.00 0.00 0.00 44.72 42.67 3ci8 s GLY 538 CO 0.89 -2.00 0.76 1.22 0.00 0.00 0.00 173.10 173.97 3ci8 n ASP 539 N -0.96 0.67 -3.85 1.64 8.00 0.15 -4.62 116.55 117.58 3ci8 n ASP 539 Ca -0.04 0.28 -0.11 0.00 0.71 0.00 0.00 54.79 55.63 3ci8 n ASP 539 Cb 0.64 0.53 -0.09 0.00 -0.02 0.00 0.00 41.12 42.18 3ci8 n ASP 539 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3ci8 s VAL 540 N -3.06 0.08 -0.03 2.53 0.11 -0.79 -4.46 120.40 114.79 3ci8 s VAL 540 Ca -0.04 -0.69 0.02 0.00 -2.93 0.00 0.00 61.98 58.34 3ci8 s VAL 540 Cb 0.09 -0.52 0.01 0.00 -1.53 0.00 0.00 36.38 34.43 3ci8 s VAL 540 CO 0.82 -0.38 -0.08 0.00 -3.33 0.00 0.00 175.10 172.13 3ci8 s ALA 541 N -1.53 0.85 -0.42 1.54 0.00 -0.83 -0.06 121.76 121.32 3ci8 s ALA 541 Ca -0.13 -0.29 -0.08 0.00 0.00 0.00 0.00 51.96 51.46 3ci8 s ALA 541 Cb -0.06 -0.35 0.09 0.00 0.00 0.00 0.00 23.12 22.79 3ci8 s ALA 541 CO 0.01 0.11 0.25 -0.06 0.00 0.00 0.00 175.76 176.08 3ci8 s PHE 542 N 0.34 3.38 0.00 0.00 0.08 -0.50 -1.53 117.98 119.75 3ci8 s PHE 542 Ca -0.06 -1.71 0.00 0.00 0.12 0.00 0.00 56.93 55.29 3ci8 s PHE 542 Cb -0.10 -3.02 0.00 0.00 -0.57 0.00 0.00 43.02 39.33 3ci8 s PHE 542 CO 0.01 -0.88 0.00 1.33 -0.10 0.00 0.00 175.22 175.57 3ci8 n VAL 543 N 4.86 0.00 -4.50 -0.44 0.24 -1.12 -3.68 118.33 113.69 3ci8 n VAL 543 Ca -0.09 0.00 -0.26 0.00 -2.04 0.00 0.00 64.34 61.96 3ci8 n VAL 543 Cb 0.42 0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 32.69 3ci8 n VAL 543 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 3ci8 s LYS 544 N 1.32 1.86 0.34 7.34 -2.85 -1.26 -1.77 119.74 124.71 3ci8 s LYS 544 Ca 0.00 -1.89 0.04 0.00 -1.00 0.00 0.00 55.97 53.13 3ci8 s LYS 544 Cb 0.00 -1.76 0.67 0.00 -2.06 0.00 0.00 37.83 34.68 3ci8 s LYS 544 CO 0.00 0.16 1.92 -0.97 0.10 0.00 0.00 175.35 176.56 3ci8 h ASN 545 N 2.00 0.76 -0.70 0.03 -1.24 -1.31 -2.68 115.58 112.44 3ci8 h ASN 545 Ca -0.42 0.01 0.03 0.00 0.71 0.00 0.00 56.30 56.63 3ci8 h ASN 545 Cb 1.25 -0.15 -0.04 0.00 0.73 0.00 0.00 38.32 40.11 3ci8 h ASN 545 CO 0.69 0.47 0.46 0.44 -1.29 0.00 0.00 177.43 178.21 3ci8 h ASP 546 N 0.85 0.74 -0.86 1.15 5.19 -1.96 -3.08 116.42 118.46 3ci8 h ASP 546 Ca 0.37 -0.01 0.04 0.00 -0.62 0.00 0.00 57.03 56.81 3ci8 h ASP 546 Cb 0.31 -0.17 -0.05 0.00 0.18 0.00 0.00 39.33 39.59 3ci8 h ASP 546 CO -0.14 0.51 0.55 0.74 -3.12 0.00 0.00 179.24 177.78 3ci8 h THR 547 N 0.86 1.10 0.25 0.35 2.02 -1.88 -1.12 112.91 114.49 3ci8 h THR 547 Ca 0.28 -0.36 -0.01 0.00 0.77 0.00 0.00 66.41 67.09 3ci8 h THR 547 Cb 0.04 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.42 3ci8 h THR 547 CO -0.08 0.19 -0.12 0.58 0.37 0.00 0.00 175.52 176.46 3ci8 h VAL 548 N 1.04 0.78 -0.84 3.16 2.07 -1.67 -2.52 116.25 118.26 3ci8 h VAL 548 Ca 0.35 -0.16 0.03 0.00 0.82 0.00 0.00 66.70 67.75 3ci8 h VAL 548 Cb 0.06 0.88 -0.05 0.00 -1.52 0.00 0.00 31.29 30.66 3ci8 h VAL 548 CO -0.14 0.04 0.55 -0.50 0.02 0.00 0.00 177.57 177.54 3ci8 h TRP 549 N -0.41 1.01 0.00 1.57 4.06 -1.57 -2.70 115.95 117.91 3ci8 h TRP 549 Ca -0.03 0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.94 3ci8 h TRP 549 Cb 0.32 -0.34 0.00 0.00 -1.00 0.00 0.00 29.16 28.14 3ci8 h TRP 549 CO -0.04 0.59 0.00 0.93 -3.56 0.00 0.00 178.44 176.36 3ci8 h GLU 550 N 1.05 0.00 0.00 0.49 5.08 -1.06 -3.30 114.58 116.84 3ci8 h GLU 550 Ca 0.33 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.69 3ci8 h GLU 550 Cb 0.02 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 3ci8 h GLU 550 CO -0.10 0.00 -0.09 0.09 -1.00 0.00 0.00 179.01 177.91 3ci8 n ASN 551 N -2.64 2.22 -4.25 1.42 3.02 -0.96 -3.50 115.26 110.57 3ci8 n ASN 551 Ca 0.03 -3.21 -0.14 0.00 -0.03 0.00 0.00 54.58 51.23 3ci8 n ASN 551 Cb 0.38 -0.44 -0.10 0.00 -0.61 0.00 0.00 39.78 39.00 3ci8 n ASN 551 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3ci8 s THR 552 N -2.91 0.96 -1.46 3.41 -4.23 -1.12 -4.70 115.64 105.60 3ci8 s THR 552 Ca 0.33 -2.02 -0.09 0.00 -1.18 0.00 0.00 61.69 58.72 3ci8 s THR 552 Cb 0.29 -1.96 0.04 0.00 1.34 0.00 0.00 72.50 72.22 3ci8 s THR 552 CO 0.01 -0.64 0.86 0.59 -0.54 0.00 0.00 174.62 174.90 3ci8 n ASN 553 N -0.22 -5.45 0.00 3.99 4.13 0.15 -2.34 115.26 115.53 3ci8 n ASN 553 Ca -0.09 -0.52 0.00 0.00 1.68 0.00 0.00 54.58 55.65 3ci8 n ASN 553 Cb 0.62 -4.36 0.00 0.00 -1.54 0.00 0.00 39.78 34.49 3ci8 n ASN 553 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3ci8 n GLY 554 N -1.66 1.37 0.26 7.41 0.00 -1.26 -4.92 105.19 106.40 3ci8 n GLY 554 Ca -0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.12 3ci8 n GLY 554 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3ci8 h GLU 555 N 3.02 0.00 0.00 1.61 4.39 -1.72 -3.35 114.58 118.54 3ci8 h GLU 555 Ca 0.00 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.41 3ci8 h GLU 555 Cb 0.00 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.61 3ci8 h GLU 555 CO 0.00 0.13 -1.73 0.45 -1.16 0.00 0.00 179.01 176.70 3ci8 n SER 556 N -3.63 1.91 0.00 1.42 2.88 -1.23 -4.90 113.62 110.07 3ci8 n SER 556 Ca -0.02 0.40 0.00 0.00 -1.33 0.00 0.00 58.87 57.92 3ci8 n SER 556 Cb 0.26 -0.87 0.00 0.00 -0.75 0.00 0.00 64.21 62.85 3ci8 n SER 556 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3ci8 n THR 557 N -4.37 0.00 -2.40 2.46 -2.24 -1.26 -4.99 114.28 101.49 3ci8 n THR 557 Ca -0.38 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.00 3ci8 n THR 557 Cb 0.72 -0.05 -0.04 0.00 -2.10 0.00 0.00 70.33 68.86 3ci8 n THR 557 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ci8 s ALA 558 N -2.75 3.43 0.37 6.98 0.00 -1.26 -4.76 121.76 123.77 3ci8 s ALA 558 Ca 0.00 0.97 0.18 0.00 0.00 0.00 0.00 51.96 53.11 3ci8 s ALA 558 Cb 0.00 -3.36 1.16 0.00 0.00 0.00 0.00 23.12 20.92 3ci8 s ALA 558 CO 0.00 -0.27 1.67 0.38 0.00 0.00 0.00 175.76 177.54 3ci8 h ASP 559 N 3.88 0.46 1.61 0.00 2.03 -2.01 0.16 116.42 122.55 3ci8 h ASP 559 Ca -0.47 0.17 0.00 0.00 -0.73 0.00 0.00 57.03 56.00 3ci8 h ASP 559 Cb 1.21 0.12 0.00 0.00 -0.83 0.00 0.00 39.33 39.84 3ci8 h ASP 559 CO 0.67 -0.13 -0.17 4.11 -1.03 0.00 0.00 179.24 182.70 3ci8 h TRP 560 N 0.28 0.00 0.00 4.15 5.08 -2.02 -3.35 115.95 120.09 3ci8 h TRP 560 Ca 0.74 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.71 3ci8 h TRP 560 Cb 1.83 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.99 3ci8 h TRP 560 CO -0.01 0.00 -0.72 0.00 -1.28 0.00 0.00 178.44 176.43 3ci8 n ALA 561 N -1.98 3.93 -0.27 0.11 0.00 0.40 -4.71 120.51 118.00 3ci8 n ALA 561 Ca 0.04 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.06 3ci8 n ALA 561 Cb 0.49 -0.54 0.07 0.00 0.00 0.00 0.00 19.45 19.47 3ci8 n ALA 561 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3ci8 h LYS 562 N 0.00 -0.03 -0.56 0.00 1.57 -1.27 -2.23 116.57 114.05 3ci8 h LYS 562 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3ci8 h LYS 562 Cb 0.36 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.68 3ci8 h LYS 562 CO 0.00 -0.02 0.00 0.09 -0.57 0.00 0.00 179.45 178.95 3ci8 n ASN 563 N -5.49 3.50 -4.70 0.86 3.02 -1.26 -4.31 115.26 106.87 3ci8 n ASN 563 Ca 0.10 -1.98 -0.42 0.00 -0.03 0.00 0.00 54.58 52.24 3ci8 n ASN 563 Cb 0.39 -0.37 -0.03 0.00 -0.61 0.00 0.00 39.78 39.16 3ci8 n ASN 563 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3ci8 s LEU 564 N -1.20 4.33 -0.11 3.41 1.43 -0.84 -4.94 118.68 120.77 3ci8 s LEU 564 Ca 0.43 2.13 0.00 0.00 -1.03 0.00 0.00 54.13 55.66 3ci8 s LEU 564 Cb 0.23 -3.57 -0.02 0.00 0.03 0.00 0.00 46.19 42.86 3ci8 s LEU 564 CO 0.31 -0.67 -0.11 -0.75 0.23 0.00 0.00 176.35 175.37 3ci8 s LYS 565 N 1.96 3.18 0.47 1.70 2.36 -1.26 0.34 119.74 128.49 3ci8 s LYS 565 Ca 0.63 -0.64 0.14 0.00 -2.55 0.00 0.00 55.97 53.55 3ci8 s LYS 565 Cb -0.32 -2.63 1.12 0.00 -1.05 0.00 0.00 37.83 34.95 3ci8 s LYS 565 CO 0.27 0.36 2.07 0.00 1.55 0.00 0.00 175.35 179.60 3ci8 h ARG 566 N 6.24 0.24 0.00 4.03 3.08 -1.94 -1.38 114.38 124.66 3ci8 h ARG 566 Ca -0.34 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.70 3ci8 h ARG 566 Cb 1.19 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.19 3ci8 h ARG 566 CO 0.55 0.16 0.00 0.39 -1.07 0.00 0.00 179.97 180.00 3ci8 n GLU 567 N -4.48 0.14 -0.06 0.04 -0.58 -1.26 -1.93 120.64 112.51 3ci8 n GLU 567 Ca 0.03 0.37 0.09 0.00 -0.42 0.00 0.00 57.16 57.23 3ci8 n GLU 567 Cb 0.21 -1.77 0.40 0.00 -0.57 0.00 0.00 31.44 29.71 3ci8 n GLU 567 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 3ci8 n ASP 568 N -2.03 1.06 -4.38 1.62 8.00 -0.52 -4.81 116.55 115.49 3ci8 n ASP 568 Ca 0.03 -1.65 -0.21 0.00 0.71 0.00 0.00 54.79 53.66 3ci8 n ASP 568 Cb 0.22 -0.08 -0.10 0.00 -0.02 0.00 0.00 41.12 41.14 3ci8 n ASP 568 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3ci8 s PHE 569 N -1.85 1.92 -0.01 1.24 0.08 -0.81 -1.07 117.98 117.49 3ci8 s PHE 569 Ca 0.29 -0.47 -0.03 0.00 0.12 0.00 0.00 56.93 56.83 3ci8 s PHE 569 Cb 0.15 -0.89 -0.00 0.00 -0.57 0.00 0.00 43.02 41.71 3ci8 s PHE 569 CO 0.23 0.47 0.07 1.03 -0.10 0.00 0.00 175.22 176.91 3ci8 s ARG 570 N -3.41 0.25 0.12 0.44 1.81 -0.37 -4.46 118.95 113.34 3ci8 s ARG 570 Ca 0.23 -0.20 -0.13 0.00 -1.72 0.00 0.00 55.73 53.91 3ci8 s ARG 570 Cb -0.03 0.10 -0.07 0.00 -0.45 0.00 0.00 34.95 34.51 3ci8 s ARG 570 CO 0.09 -0.05 0.51 -0.51 -0.68 0.00 0.00 175.30 174.66 3ci8 s LEU 571 N -0.71 4.36 -0.28 2.53 1.43 -0.34 -0.73 118.68 124.93 3ci8 s LEU 571 Ca -0.08 1.01 -0.10 0.00 -1.03 0.00 0.00 54.13 53.93 3ci8 s LEU 571 Cb -0.05 -3.15 -0.04 0.00 0.03 0.00 0.00 46.19 42.99 3ci8 s LEU 571 CO 0.00 0.14 0.16 -0.76 0.23 0.00 0.00 176.35 176.12 3ci8 s LEU 572 N -1.86 3.94 0.38 1.79 1.43 0.15 -1.82 118.68 122.69 3ci8 s LEU 572 Ca 0.36 -0.16 -0.03 0.00 -1.03 0.00 0.00 54.13 53.27 3ci8 s LEU 572 Cb -0.15 -2.06 -0.04 0.00 0.03 0.00 0.00 46.19 43.97 3ci8 s LEU 572 CO 0.19 -0.08 0.64 0.00 0.23 0.00 0.00 176.35 177.33 3ci8 h LEU 574 N 0.78 0.00 -1.63 0.00 3.38 -1.88 -2.97 115.31 112.98 3ci8 h LEU 574 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 3ci8 h LEU 574 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 3ci8 h LEU 574 CO 0.62 0.00 0.00 -0.90 0.09 0.00 0.00 178.44 178.25 3ci8 n ASP 575 N -2.33 2.38 0.00 -0.43 5.75 -1.26 -4.88 116.55 115.78 3ci8 n ASP 575 Ca 0.02 -2.18 0.00 0.00 -0.01 0.00 0.00 54.79 52.61 3ci8 n ASP 575 Cb 0.23 -0.38 0.00 0.00 -1.03 0.00 0.00 41.12 39.93 3ci8 n ASP 575 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ci8 n GLY 576 N 0.70 0.76 3.99 6.12 0.00 -1.12 -5.05 105.19 110.58 3ci8 n GLY 576 Ca 0.12 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.94 3ci8 n GLY 576 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ci8 s THR 577 N -2.74 3.10 -0.07 2.61 2.01 -1.26 -4.66 115.64 114.63 3ci8 s THR 577 Ca 0.00 -0.81 0.02 0.00 0.31 0.00 0.00 61.69 61.21 3ci8 s THR 577 Cb 0.00 -3.10 0.02 0.00 0.01 0.00 0.00 72.50 69.43 3ci8 s THR 577 CO 0.00 -0.05 -0.10 -0.13 -0.69 0.00 0.00 174.62 173.64 3ci8 s ARG 578 N -4.52 1.53 0.23 4.92 0.52 -1.26 -2.06 118.95 118.30 3ci8 s ARG 578 Ca 0.54 -0.33 0.07 0.00 -0.52 0.00 0.00 55.73 55.48 3ci8 s ARG 578 Cb -0.10 -1.34 -0.05 0.00 0.52 0.00 0.00 34.95 33.98 3ci8 s ARG 578 CO 0.35 -0.04 -0.11 0.15 0.02 0.00 0.00 175.30 175.68 3ci8 s LYS 579 N 0.88 1.39 0.85 3.54 1.02 -0.76 -4.95 119.74 121.71 3ci8 s LYS 579 Ca -0.11 -1.65 -0.10 0.00 0.02 0.00 0.00 55.97 54.13 3ci8 s LYS 579 Cb -0.15 -1.07 0.11 0.00 -0.52 0.00 0.00 37.83 36.19 3ci8 s LYS 579 CO 0.01 0.11 1.13 -2.14 -0.92 0.00 0.00 175.35 173.54 3ci8 s PRO 580 N -3.69 1.56 0.00 -1.68 0.02 -1.26 -1.20 135.00 128.75 3ci8 s PRO 580 Ca 0.25 1.40 0.19 0.00 0.02 0.00 0.00 61.00 62.85 3ci8 s PRO 580 Cb 0.01 -1.80 1.04 0.00 0.02 0.00 0.00 34.50 33.77 3ci8 s PRO 580 CO 0.08 -2.20 1.54 1.33 -0.33 0.00 0.00 177.00 177.42 3ci8 n VAL 581 N -3.90 0.21 0.73 3.83 0.24 -1.26 -1.94 118.33 116.23 3ci8 n VAL 581 Ca 0.11 0.05 0.13 0.00 -2.04 0.00 0.00 64.34 62.59 3ci8 n VAL 581 Cb 0.52 -0.75 0.43 0.00 -1.47 0.00 0.00 33.84 32.57 3ci8 n VAL 581 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3ci8 n THR 582 N -1.13 0.40 -1.25 3.34 -2.24 -1.26 -4.05 114.28 108.09 3ci8 n THR 582 Ca 0.12 -0.20 -0.14 0.00 -2.27 0.00 0.00 64.05 61.56 3ci8 n THR 582 Cb 0.10 -0.48 0.21 0.00 -2.10 0.00 0.00 70.33 68.07 3ci8 n THR 582 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3ci8 n GLU 583 N -2.02 2.45 0.27 -0.78 4.71 -0.82 -4.73 120.64 119.72 3ci8 n GLU 583 Ca 0.06 -3.07 0.12 0.00 -0.01 0.00 0.00 57.16 54.26 3ci8 n GLU 583 Cb 0.41 -2.08 0.77 0.00 -1.01 0.00 0.00 31.44 29.53 3ci8 n GLU 583 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3ci8 h ALA 584 N 1.35 1.59 0.00 0.62 0.00 -1.78 -1.81 119.26 119.24 3ci8 h ALA 584 Ca 0.43 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.28 3ci8 h ALA 584 Cb 2.39 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 20.17 3ci8 h ALA 584 CO 0.81 0.06 -0.07 0.37 0.00 0.00 0.00 179.25 180.42 3ci8 h GLN 585 N 0.00 0.00 -0.01 0.00 5.75 -1.94 -2.73 115.11 116.18 3ci8 h GLN 585 Ca -0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 3ci8 h GLN 585 Cb 0.11 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.66 3ci8 h GLN 585 CO 0.01 0.07 -0.03 -1.13 -2.65 0.00 0.00 178.83 175.09 3ci8 n SER 586 N -3.50 1.42 -3.19 -0.69 3.41 -0.74 -4.78 113.62 105.55 3ci8 n SER 586 Ca -0.02 -1.21 -0.22 0.00 -0.26 0.00 0.00 58.87 57.16 3ci8 n SER 586 Cb 0.19 0.12 -0.06 0.00 -0.26 0.00 0.00 64.21 64.20 3ci8 n SER 586 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ci8 s HIS 588 N -1.67 1.63 -0.05 0.00 -0.00 -1.21 -4.67 115.29 109.33 3ci8 s HIS 588 Ca 0.37 -0.65 0.13 0.00 -0.00 0.00 0.00 55.06 54.91 3ci8 s HIS 588 Cb 0.24 -0.80 -0.14 0.00 -0.00 0.00 0.00 32.58 31.88 3ci8 s HIS 588 CO -0.10 0.27 1.03 -0.07 -0.00 0.00 0.00 174.74 175.87 3ci8 h LEU 589 N 2.57 0.00 -7.15 5.38 3.38 0.00 -3.43 115.31 116.06 3ci8 h LEU 589 Ca -0.38 0.00 0.34 0.00 0.09 0.00 0.00 57.88 57.93 3ci8 h LEU 589 Cb 1.22 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.83 3ci8 h LEU 589 CO 0.63 0.77 0.87 0.00 0.09 0.00 0.00 178.44 180.80 3ci8 s ALA 590 N -2.80 -2.28 -0.19 1.53 0.00 -1.16 -4.99 121.76 111.87 3ci8 s ALA 590 Ca -0.01 0.87 -0.04 0.00 0.00 0.00 0.00 51.96 52.78 3ci8 s ALA 590 Cb 0.09 0.26 -0.02 0.00 0.00 0.00 0.00 23.12 23.45 3ci8 s ALA 590 CO 0.80 -1.00 -0.03 0.54 0.00 0.00 0.00 175.76 176.07 3ci8 s VAL 591 N -2.32 3.67 0.02 0.00 0.11 -1.26 -0.50 120.40 120.12 3ci8 s VAL 591 Ca 0.14 -0.41 -0.06 0.00 -2.93 0.00 0.00 61.98 58.71 3ci8 s VAL 591 Cb 0.05 -2.64 -0.05 0.00 -1.53 0.00 0.00 36.38 32.21 3ci8 s VAL 591 CO -0.05 0.45 0.28 0.00 -3.33 0.00 0.00 175.10 172.45 3ci8 s ALA 592 N 0.97 3.85 0.36 1.54 0.00 0.38 -4.85 121.76 124.01 3ci8 s ALA 592 Ca 0.00 -0.58 -0.27 0.00 0.00 0.00 0.00 51.96 51.12 3ci8 s ALA 592 Cb -0.15 -2.07 -0.09 0.00 0.00 0.00 0.00 23.12 20.81 3ci8 s ALA 592 CO 0.01 0.65 1.24 -1.25 0.00 0.00 0.00 175.76 176.41 3ci8 s PRO 593 N -1.86 4.23 0.85 0.00 0.04 -1.26 -0.79 135.00 136.21 3ci8 s PRO 593 Ca 0.29 2.04 -0.12 0.00 0.04 0.00 0.00 61.00 63.25 3ci8 s PRO 593 Cb -0.13 -2.91 0.11 0.00 0.04 0.00 0.00 34.50 31.61 3ci8 s PRO 593 CO 0.17 -0.23 1.17 -0.80 0.04 0.00 0.00 177.00 177.35 3ci8 s ASN 594 N -0.78 3.34 0.40 6.66 0.01 -1.26 -4.49 114.94 118.81 3ci8 s ASN 594 Ca 0.52 2.24 -0.26 0.00 -0.71 0.00 0.00 52.86 54.65 3ci8 s ASN 594 Cb -0.36 -2.57 -0.09 0.00 0.41 0.00 0.00 41.25 38.64 3ci8 s ASN 594 CO 0.46 -2.83 1.29 -1.00 -1.51 0.00 0.00 177.10 173.52 3ci8 s HIS 595 N -2.45 2.86 0.03 2.20 3.76 -1.26 -4.59 115.29 115.84 3ci8 s HIS 595 Ca 0.69 1.42 -0.02 0.00 -0.15 0.00 0.00 55.06 57.01 3ci8 s HIS 595 Cb -0.25 -3.65 -0.02 0.00 1.11 0.00 0.00 32.58 29.77 3ci8 s HIS 595 CO 0.54 -2.00 0.00 0.00 -0.85 0.00 0.00 174.74 172.43 3ci8 s ALA 596 N -1.26 0.18 0.10 -1.40 0.00 -0.16 -0.57 121.76 118.65 3ci8 s ALA 596 Ca 0.56 -0.74 -0.30 0.00 0.00 0.00 0.00 51.96 51.48 3ci8 s ALA 596 Cb -0.38 0.20 -0.06 0.00 0.00 0.00 0.00 23.12 22.89 3ci8 s ALA 596 CO 0.48 -0.25 0.98 0.08 0.00 0.00 0.00 175.76 177.05 3ci8 s VAL 597 N -2.40 4.49 0.22 0.00 1.01 0.76 -0.19 120.40 124.28 3ci8 s VAL 597 Ca -0.07 2.02 0.11 0.00 0.00 0.00 0.00 61.98 64.04 3ci8 s VAL 597 Cb -0.03 -4.29 -0.05 0.00 0.00 0.00 0.00 36.38 32.01 3ci8 s VAL 597 CO -0.04 0.29 -0.21 0.68 0.00 0.00 0.00 175.10 175.82 3ci8 s VAL 598 N 0.13 2.22 0.27 2.92 -7.23 -0.54 -0.44 120.40 117.72 3ci8 s VAL 598 Ca 0.48 -2.15 -0.20 0.00 -1.81 0.00 0.00 61.98 58.30 3ci8 s VAL 598 Cb -0.24 -2.12 0.02 0.00 0.56 0.00 0.00 36.38 34.61 3ci8 s VAL 598 CO 0.30 -0.30 0.67 -0.94 -0.31 0.00 0.00 175.10 174.53 3ci8 s SER 599 N -3.01 -0.26 0.25 4.85 1.04 -0.83 -3.26 113.70 112.49 3ci8 s SER 599 Ca 0.23 -0.61 -0.30 0.00 0.48 0.00 0.00 55.95 55.75 3ci8 s SER 599 Cb -0.06 0.70 -0.10 0.00 0.10 0.00 0.00 66.02 66.66 3ci8 s SER 599 CO 0.11 -1.29 1.39 -0.13 0.98 0.00 0.00 173.24 174.29 3ci8 s ARG 600 N -3.92 4.31 0.36 4.02 0.52 -1.26 -0.28 118.95 122.71 3ci8 s ARG 600 Ca 0.12 2.22 0.16 0.00 -0.52 0.00 0.00 55.73 57.71 3ci8 s ARG 600 Cb -0.05 -3.13 1.07 0.00 0.52 0.00 0.00 34.95 33.36 3ci8 s ARG 600 CO 0.06 -0.34 1.71 1.03 0.02 0.00 0.00 175.30 177.78 3ci8 h SER 601 N 4.91 0.51 0.36 0.23 0.87 -1.91 0.11 113.55 118.63 3ci8 h SER 601 Ca -0.46 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.23 3ci8 h SER 601 Cb 1.22 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.24 3ci8 h SER 601 CO 0.76 0.01 0.00 -0.90 -0.53 0.00 0.00 176.83 176.16 3ci8 n ASP 602 N -4.82 0.00 -0.08 6.23 5.75 -1.26 -3.03 116.55 119.33 3ci8 n ASP 602 Ca 0.29 -0.07 0.02 0.00 -0.01 0.00 0.00 54.79 55.02 3ci8 n ASP 602 Cb 0.93 -0.26 -0.01 0.00 -1.03 0.00 0.00 41.12 40.75 3ci8 n ASP 602 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3ci8 n ARG 603 N -1.26 3.16 -0.15 0.11 5.12 0.36 -4.83 116.66 119.18 3ci8 n ARG 603 Ca 0.10 -0.33 -0.03 0.00 -1.93 0.00 0.00 57.85 55.67 3ci8 n ARG 603 Cb 0.16 -0.87 0.04 0.00 -1.16 0.00 0.00 32.46 30.63 3ci8 n ARG 603 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3ci8 h ALA 604 N 0.80 0.38 -0.85 7.54 0.00 -1.38 -1.65 119.26 124.09 3ci8 h ALA 604 Ca 0.00 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3ci8 h ALA 604 Cb 0.15 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 3ci8 h ALA 604 CO 0.00 -0.42 0.48 0.00 0.00 0.00 0.00 179.25 179.31 3ci8 h ALA 605 N 1.44 1.08 -0.25 0.00 0.00 -1.88 -0.84 119.26 118.81 3ci8 h ALA 605 Ca 0.23 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 3ci8 h ALA 605 Cb 0.35 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 3ci8 h ALA 605 CO -0.43 0.58 -0.35 1.25 0.00 0.00 0.00 179.25 180.30 3ci8 h HIS 606 N 1.18 0.83 -0.39 0.00 6.17 -1.84 -2.31 115.15 118.79 3ci8 h HIS 606 Ca 0.30 -0.27 -0.02 0.00 0.71 0.00 0.00 60.37 61.08 3ci8 h HIS 606 Cb 0.00 -0.16 -0.02 0.00 2.52 0.00 0.00 27.41 29.75 3ci8 h HIS 606 CO 0.00 1.03 0.15 0.28 0.71 0.00 0.00 177.93 180.10 3ci8 h VAL 607 N 0.39 1.20 -0.24 5.26 2.07 -1.20 -2.55 116.25 121.18 3ci8 h VAL 607 Ca 0.03 -0.63 0.04 0.00 0.82 0.00 0.00 66.70 66.96 3ci8 h VAL 607 Cb 0.93 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 31.54 3ci8 h VAL 607 CO 0.08 0.22 -0.01 -0.08 0.02 0.00 0.00 177.57 177.81 3ci8 h GLU 608 N 0.49 0.06 -0.23 1.57 4.81 -1.14 -1.67 114.58 118.47 3ci8 h GLU 608 Ca 0.13 -0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.40 3ci8 h GLU 608 Cb 0.21 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.53 3ci8 h GLU 608 CO -0.01 0.04 -0.03 0.37 -0.73 0.00 0.00 179.01 178.65 3ci8 h GLN 609 N 0.06 0.03 -0.66 1.92 4.15 -1.31 -2.40 115.11 116.91 3ci8 h GLN 609 Ca 0.12 -0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.50 3ci8 h GLN 609 Cb 0.15 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.81 3ci8 h GLN 609 CO -0.21 0.02 0.28 0.28 -1.93 0.00 0.00 178.83 177.28 3ci8 h VAL 610 N 0.03 1.23 -0.49 2.39 2.07 -1.21 -3.06 116.25 117.21 3ci8 h VAL 610 Ca 0.11 -0.70 -0.02 0.00 0.82 0.00 0.00 66.70 66.91 3ci8 h VAL 610 Cb 0.16 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 3ci8 h VAL 610 CO -0.21 0.28 0.23 -0.07 0.02 0.00 0.00 177.57 177.82 3ci8 h LEU 611 N 0.92 0.65 -1.37 2.57 4.07 -1.15 0.87 115.31 121.88 3ci8 h LEU 611 Ca 0.22 -0.14 0.00 0.00 0.08 0.00 0.00 57.88 58.04 3ci8 h LEU 611 Cb 0.17 -0.17 -0.03 0.00 1.08 0.00 0.00 40.66 41.72 3ci8 h LEU 611 CO -0.02 0.61 0.38 -0.07 -1.08 0.00 0.00 178.44 178.26 3ci8 h LEU 612 N 0.65 0.71 -0.12 1.67 3.38 -1.41 -0.76 115.31 119.43 3ci8 h LEU 612 Ca 0.17 -0.03 -0.24 0.00 0.09 0.00 0.00 57.88 57.87 3ci8 h LEU 612 Cb 0.14 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 40.72 3ci8 h LEU 612 CO -0.02 0.53 -0.95 -0.74 0.09 0.00 0.00 178.44 177.35 3ci8 h HIS 613 N 0.82 0.86 -0.38 1.13 2.76 -1.37 -2.34 115.15 116.63 3ci8 h HIS 613 Ca 0.22 -0.45 -0.02 0.00 -2.20 0.00 0.00 60.37 57.92 3ci8 h HIS 613 Cb -0.06 -0.11 -0.02 0.00 1.55 0.00 0.00 27.41 28.78 3ci8 h HIS 613 CO 0.00 1.27 0.15 1.96 -1.30 0.00 0.00 177.93 180.01 3ci8 h GLN 614 N 0.35 0.54 0.00 5.26 1.08 -0.30 -2.26 115.11 119.78 3ci8 h GLN 614 Ca -0.09 -0.07 -0.18 0.00 -1.45 0.00 0.00 58.65 56.86 3ci8 h GLN 614 Cb 1.59 -0.10 -0.03 0.00 -0.05 0.00 0.00 27.48 28.89 3ci8 h GLN 614 CO 0.18 0.45 -0.96 -0.56 -0.95 0.00 0.00 178.83 176.99 3ci8 h GLN 615 N 0.54 0.00 -0.45 1.46 3.07 -1.16 0.19 115.11 118.76 3ci8 h GLN 615 Ca 0.13 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.86 3ci8 h GLN 615 Cb 0.12 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.65 3ci8 h GLN 615 CO -0.01 0.66 0.22 0.00 0.09 0.00 0.00 178.83 179.79 3ci8 h ALA 616 N 1.24 1.54 0.04 0.06 0.00 -0.97 0.43 119.26 121.60 3ci8 h ALA 616 Ca -0.06 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 3ci8 h ALA 616 Cb 1.63 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 19.23 3ci8 h ALA 616 CO 0.09 0.37 -0.53 -0.07 0.00 0.00 0.00 179.25 179.12 3ci8 h LEU 617 N 0.63 0.13 -3.01 0.00 3.38 -1.25 -2.75 115.31 112.44 3ci8 h LEU 617 Ca 0.16 -0.89 0.00 0.00 0.09 0.00 0.00 57.88 57.24 3ci8 h LEU 617 Cb 0.07 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3ci8 h LEU 617 CO -0.02 1.23 0.00 0.49 0.09 0.00 0.00 178.44 180.23 3ci8 n PHE 618 N -4.41 0.31 -0.81 1.13 3.72 0.65 -0.35 117.46 117.69 3ci8 n PHE 618 Ca -0.16 -0.66 0.00 0.00 -0.05 0.00 0.00 57.45 56.58 3ci8 n PHE 618 Cb 0.63 -0.11 0.00 0.00 -0.94 0.00 0.00 39.48 39.06 3ci8 n PHE 618 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ci8 n GLY 619 N -0.37 -1.18 0.33 1.37 0.00 0.15 -2.01 105.19 103.48 3ci8 n GLY 619 Ca 0.10 -1.64 -0.06 0.00 0.00 0.00 0.00 46.02 44.41 3ci8 n GLY 619 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3ci8 h LYS 620 N 0.00 -0.20 -0.40 1.61 3.64 -1.81 -1.83 116.57 117.58 3ci8 h LYS 620 Ca 0.00 0.01 -0.27 0.00 -1.27 0.00 0.00 60.65 59.12 3ci8 h LYS 620 Cb 0.00 0.04 -0.19 0.00 -0.41 0.00 0.00 32.23 31.68 3ci8 h LYS 620 CO 0.00 -0.13 -0.41 0.09 -2.27 0.00 0.00 179.45 176.73 3ci8 n ASN 621 N -5.42 3.33 -4.68 4.20 4.13 -1.26 -4.83 115.26 110.73 3ci8 n ASN 621 Ca 0.03 -3.82 -0.31 0.00 1.68 0.00 0.00 54.58 52.16 3ci8 n ASN 621 Cb 0.34 -0.53 0.16 0.00 -1.54 0.00 0.00 39.78 38.21 3ci8 n ASN 621 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 3ci8 s GLY 622 N -3.08 1.66 0.44 7.41 0.00 -0.69 -4.91 107.32 108.14 3ci8 s GLY 622 Ca 0.46 0.37 0.10 0.00 0.00 0.00 0.00 44.72 45.65 3ci8 s GLY 622 CO -0.01 0.81 2.06 0.50 0.00 0.00 0.00 173.10 176.46 3ci8 h LYS 623 N -1.76 0.41 0.00 2.90 1.79 -1.14 -3.21 116.57 115.56 3ci8 h LYS 623 Ca -0.46 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 57.99 3ci8 h LYS 623 Cb 1.27 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.83 3ci8 h LYS 623 CO 0.46 0.27 0.00 0.09 -1.08 0.00 0.00 179.45 179.19 3ci8 n ASN 624 N -4.48 0.99 0.00 0.86 3.02 0.52 -4.89 115.26 111.28 3ci8 n ASN 624 Ca 0.03 -1.00 0.00 0.00 -0.03 0.00 0.00 54.58 53.58 3ci8 n ASN 624 Cb 0.13 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.30 3ci8 n ASN 624 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ci8 h PRO 626 N 0.00 0.76 0.24 0.00 0.11 -1.82 -2.80 132.00 128.49 3ci8 h PRO 626 Ca 0.00 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.05 3ci8 h PRO 626 Cb 0.00 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 30.94 3ci8 h PRO 626 CO 0.00 0.50 -0.11 -0.44 -0.21 0.00 0.00 178.00 177.74 3ci8 h ASP 627 N 0.78 -0.27 0.00 -2.05 3.32 -1.89 -3.43 116.42 112.88 3ci8 h ASP 627 Ca 0.50 -0.24 -0.29 0.00 0.02 0.00 0.00 57.03 57.01 3ci8 h ASP 627 Cb 0.65 0.07 -0.05 0.00 0.22 0.00 0.00 39.33 40.23 3ci8 h ASP 627 CO -0.33 0.23 -2.01 0.29 -1.72 0.00 0.00 179.24 175.69 3ci8 n LYS 628 N -5.00 0.40 -3.64 3.56 5.02 0.14 -5.07 118.16 113.58 3ci8 n LYS 628 Ca -0.08 0.15 -0.09 0.00 -2.02 0.00 0.00 58.31 56.27 3ci8 n LYS 628 Cb 0.25 -1.22 -0.07 0.00 -0.02 0.00 0.00 35.03 33.98 3ci8 n LYS 628 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 3ci8 s PHE 629 N -2.34 -0.79 -0.22 2.13 5.36 -0.19 -5.01 117.98 116.92 3ci8 s PHE 629 Ca -0.25 1.73 0.00 0.00 -0.96 0.00 0.00 56.93 57.46 3ci8 s PHE 629 Cb 0.09 0.42 0.03 0.00 -0.34 0.00 0.00 43.02 43.21 3ci8 s PHE 629 CO 0.35 -0.39 -0.13 0.00 -1.46 0.00 0.00 175.22 173.60 3ci8 h LEU 631 N 7.94 0.87 -3.04 0.00 3.38 -1.74 -3.02 115.31 119.69 3ci8 h LEU 631 Ca -0.36 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.54 3ci8 h LEU 631 Cb 1.11 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 3ci8 h LEU 631 CO 0.58 0.68 0.03 0.49 0.09 0.00 0.00 178.44 180.30 3ci8 n PHE 632 N -4.38 1.68 -4.52 1.13 3.72 -1.26 -4.73 117.46 109.10 3ci8 n PHE 632 Ca 0.07 -0.62 -0.26 0.00 -0.05 0.00 0.00 57.45 56.59 3ci8 n PHE 632 Cb 0.08 -0.45 -0.13 0.00 -0.94 0.00 0.00 39.48 38.04 3ci8 n PHE 632 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3ci8 s LYS 633 N -2.40 1.37 -0.05 -1.08 3.01 -1.14 -4.21 119.74 115.23 3ci8 s LYS 633 Ca 0.43 -1.11 0.02 0.00 -1.01 0.00 0.00 55.97 54.30 3ci8 s LYS 633 Cb 0.33 -1.61 0.06 0.00 -1.01 0.00 0.00 37.83 35.61 3ci8 s LYS 633 CO 0.12 0.39 0.57 -1.13 0.51 0.00 0.00 175.35 175.82 3ci8 n SER 634 N 1.43 -0.29 -3.71 2.83 3.41 -1.26 -4.92 113.62 111.11 3ci8 n SER 634 Ca -0.18 -1.00 -0.23 0.00 -0.26 0.00 0.00 58.87 57.20 3ci8 n SER 634 Cb 0.53 0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.61 3ci8 n SER 634 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 3ci8 n GLU 635 N -0.24 -1.55 -0.73 4.33 0.28 -1.26 -2.53 120.64 118.94 3ci8 n GLU 635 Ca -0.05 0.87 0.00 0.00 -0.16 0.00 0.00 57.16 57.82 3ci8 n GLU 635 Cb 0.51 -2.61 0.00 0.00 1.43 0.00 0.00 31.44 30.77 3ci8 n GLU 635 CO 0.00 0.00 0.00 -2.37 -0.16 0.00 0.00 177.13 174.60 3ci8 n THR 636 N -2.40 0.00 0.79 3.84 5.66 -1.26 -4.86 114.28 116.06 3ci8 n THR 636 Ca -0.28 0.00 0.12 0.00 -3.05 0.00 0.00 64.05 60.84 3ci8 n THR 636 Cb 0.68 -0.42 0.25 0.00 -1.55 0.00 0.00 70.33 69.29 3ci8 n THR 636 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 3ci8 n LYS 637 N -1.63 0.14 -3.81 1.09 5.02 -1.05 -4.83 118.16 113.09 3ci8 n LYS 637 Ca 0.00 0.05 -0.24 0.00 -2.02 0.00 0.00 58.31 56.10 3ci8 n LYS 637 Cb 0.07 -1.59 0.01 0.00 -0.02 0.00 0.00 35.03 33.50 3ci8 n LYS 637 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3ci8 n ASN 638 N -1.80 -1.08 -4.66 4.39 5.03 -1.26 -4.96 115.26 110.92 3ci8 n ASN 638 Ca 0.05 -0.92 -0.40 0.00 0.87 0.00 0.00 54.58 54.18 3ci8 n ASN 638 Cb 0.39 -3.55 -0.06 0.00 -1.02 0.00 0.00 39.78 35.54 3ci8 n ASN 638 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3ci8 s LEU 639 N -6.78 4.14 0.00 3.41 1.43 -1.26 -4.33 118.68 115.29 3ci8 s LEU 639 Ca 0.04 0.82 0.00 0.00 -1.03 0.00 0.00 54.13 53.96 3ci8 s LEU 639 Cb -0.01 -2.88 0.00 0.00 0.03 0.00 0.00 46.19 43.33 3ci8 s LEU 639 CO 0.85 -0.26 0.00 0.18 0.23 0.00 0.00 176.35 177.35 3ci8 n LEU 640 N 5.02 0.00 -4.07 1.79 4.77 -1.26 -4.76 117.00 118.49 3ci8 n LEU 640 Ca -0.02 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.89 3ci8 n LEU 640 Cb 0.50 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.49 3ci8 n LEU 640 CO 0.44 0.00 -0.36 -0.36 -1.33 0.00 0.00 177.39 175.78 3ci8 s PHE 641 N 0.00 0.48 0.42 -1.77 0.08 -1.26 -4.47 117.98 111.45 3ci8 s PHE 641 Ca 0.00 -0.98 -0.25 0.00 0.12 0.00 0.00 56.93 55.82 3ci8 s PHE 641 Cb 0.00 -0.35 -0.08 0.00 -0.57 0.00 0.00 43.02 42.01 3ci8 s PHE 641 CO 0.00 -0.35 1.17 -0.80 -0.10 0.00 0.00 175.22 175.13 3ci8 s ASN 642 N -2.70 6.43 0.45 1.36 0.01 -1.26 -4.40 114.94 114.82 3ci8 s ASN 642 Ca 0.04 2.33 0.31 0.00 -0.71 0.00 0.00 52.86 54.83 3ci8 s ASN 642 Cb 0.05 -2.61 1.38 0.00 0.41 0.00 0.00 41.25 40.49 3ci8 s ASN 642 CO -0.09 -0.74 1.92 0.44 -1.51 0.00 0.00 177.10 177.13 3ci8 h ASP 643 N 2.47 0.00 -0.23 -1.22 3.32 -1.91 -2.90 116.42 115.96 3ci8 h ASP 643 Ca -0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.56 3ci8 h ASP 643 Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.79 3ci8 h ASP 643 CO 0.62 0.00 0.00 -0.46 -1.72 0.00 0.00 179.24 177.68 3ci8 n ASN 644 N -2.73 1.50 -4.67 6.45 0.23 -1.26 -4.76 115.26 110.01 3ci8 n ASN 644 Ca 0.00 -1.85 -0.42 0.00 -0.53 0.00 0.00 54.58 51.78 3ci8 n ASN 644 Cb 0.22 -0.15 -0.03 0.00 -2.08 0.00 0.00 39.78 37.74 3ci8 n ASN 644 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 3ci8 s THR 645 N -1.70 3.62 0.02 5.53 2.01 -1.10 -4.40 115.64 119.62 3ci8 s THR 645 Ca 0.25 0.90 -0.15 0.00 0.31 0.00 0.00 61.69 63.00 3ci8 s THR 645 Cb 0.13 -3.58 -0.35 0.00 0.01 0.00 0.00 72.50 68.71 3ci8 s THR 645 CO 0.19 -0.04 0.96 -0.08 -0.69 0.00 0.00 174.62 174.95 3ci8 h GLU 646 N 8.62 0.52 -2.17 4.92 4.81 -1.20 -3.46 114.58 126.62 3ci8 h GLU 646 Ca -0.38 -0.90 0.21 0.00 -0.13 0.00 0.00 59.36 58.17 3ci8 h GLU 646 Cb 1.17 0.33 -0.08 0.00 0.63 0.00 0.00 28.75 30.80 3ci8 h GLU 646 CO 0.93 1.43 0.57 0.00 -0.73 0.00 0.00 179.01 181.21 3ci8 s LEU 648 N -3.00 4.15 -0.02 0.00 1.43 -1.26 -0.93 118.68 119.05 3ci8 s LEU 648 Ca 0.14 0.28 -0.02 0.00 -1.03 0.00 0.00 54.13 53.50 3ci8 s LEU 648 Cb -0.00 -2.25 -0.04 0.00 0.03 0.00 0.00 46.19 43.93 3ci8 s LEU 648 CO 0.01 0.04 0.11 0.00 0.23 0.00 0.00 176.35 176.74 3ci8 s ALA 649 N 0.99 3.70 0.75 4.21 0.00 0.17 -4.63 121.76 126.95 3ci8 s ALA 649 Ca 0.12 -0.82 -0.12 0.00 0.00 0.00 0.00 51.96 51.14 3ci8 s ALA 649 Cb -0.13 -1.69 0.05 0.00 0.00 0.00 0.00 23.12 21.34 3ci8 s ALA 649 CO 0.05 0.69 1.12 0.15 0.00 0.00 0.00 175.76 177.77 3ci8 s LYS 650 N -1.68 2.22 -0.21 0.00 1.02 -0.13 -1.51 119.74 119.45 3ci8 s LYS 650 Ca 0.23 1.38 -0.16 0.00 0.02 0.00 0.00 55.97 57.44 3ci8 s LYS 650 Cb -0.12 -1.88 -0.11 0.00 -0.52 0.00 0.00 37.83 35.20 3ci8 s LYS 650 CO 0.14 -1.70 -0.14 1.28 -0.92 0.00 0.00 175.35 174.01 3ci8 n LEU 651 N -3.16 1.89 -0.86 3.17 4.77 -1.26 -4.81 117.00 116.73 3ci8 n LEU 651 Ca 0.11 0.43 0.00 0.00 -0.03 0.00 0.00 56.01 56.51 3ci8 n LEU 651 Cb 0.52 -0.86 0.00 0.00 -2.33 0.00 0.00 43.42 40.75 3ci8 n LEU 651 CO 0.50 0.11 -0.13 0.61 -1.33 0.00 0.00 177.39 177.15 3ci8 n GLY 652 N 1.42 -4.08 0.35 -0.72 0.00 -1.26 -4.80 105.19 96.11 3ci8 n GLY 652 Ca -0.30 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.06 3ci8 n GLY 652 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ci8 n GLY 653 N 0.42 0.90 2.81 -0.02 0.00 -1.26 -4.55 105.19 103.50 3ci8 n GLY 653 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 3ci8 n GLY 653 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ci8 n ARG 654 N -2.17 -0.34 -2.29 1.61 1.74 -1.26 -4.76 116.66 109.19 3ci8 n ARG 654 Ca 0.00 0.12 -0.38 0.00 -0.77 0.00 0.00 57.85 56.82 3ci8 n ARG 654 Cb 0.00 -0.40 -0.02 0.00 -1.02 0.00 0.00 32.46 31.02 3ci8 n ARG 654 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3ci8 s PRO 655 N -2.74 3.94 0.91 5.56 0.04 -1.26 -5.04 135.00 136.41 3ci8 s PRO 655 Ca 0.01 1.80 -0.14 0.00 0.04 0.00 0.00 61.00 62.70 3ci8 s PRO 655 Cb -0.00 -2.56 0.15 0.00 0.04 0.00 0.00 34.50 32.13 3ci8 s PRO 655 CO 0.18 -0.41 1.23 0.95 0.04 0.00 0.00 177.00 178.99 3ci8 s THR 656 N -1.48 1.97 0.34 1.26 -4.23 -1.26 -4.67 115.64 107.57 3ci8 s THR 656 Ca 0.60 0.00 0.24 0.00 -1.18 0.00 0.00 61.69 61.35 3ci8 s THR 656 Cb -0.29 -2.93 0.24 0.00 1.34 0.00 0.00 72.50 70.85 3ci8 s THR 656 CO 0.36 0.00 1.97 0.10 -0.54 0.00 0.00 174.62 176.51 3ci8 h TYR 657 N -1.46 0.00 -0.06 3.99 -0.00 -1.95 -0.11 116.97 117.37 3ci8 h TYR 657 Ca -0.46 0.00 -0.10 0.00 0.00 0.00 0.00 58.73 58.17 3ci8 h TYR 657 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.02 3ci8 h TYR 657 CO -0.47 0.19 -0.35 0.93 -0.00 0.00 0.00 178.16 178.46 3ci8 h GLU 658 N 0.00 0.35 -0.73 0.10 5.08 -1.95 -1.51 114.58 115.91 3ci8 h GLU 658 Ca -0.00 -0.29 -0.02 0.00 -1.00 0.00 0.00 59.36 58.05 3ci8 h GLU 658 Cb 0.49 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 3ci8 h GLU 658 CO 0.02 0.93 0.39 0.93 -1.00 0.00 0.00 179.01 180.29 3ci8 h GLU 659 N -0.15 1.04 -0.25 2.33 5.08 -1.87 0.27 114.58 121.03 3ci8 h GLU 659 Ca -0.03 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.20 3ci8 h GLU 659 Cb 1.00 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 3ci8 h GLU 659 CO 0.07 0.78 0.14 -0.92 -1.00 0.00 0.00 179.01 178.09 3ci8 h TYR 660 N 1.02 0.33 0.02 4.33 3.20 -0.98 -3.09 116.97 121.80 3ci8 h TYR 660 Ca 0.26 -0.00 -0.20 0.00 3.14 0.00 0.00 58.73 61.92 3ci8 h TYR 660 Cb 0.06 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.21 3ci8 h TYR 660 CO 0.00 0.27 -0.93 -0.07 -1.64 0.00 0.00 178.16 175.79 3ci8 h LEU 661 N 0.30 0.17 0.00 2.82 3.38 -1.12 -3.48 115.31 117.38 3ci8 h LEU 661 Ca 0.09 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3ci8 h LEU 661 Cb 0.04 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3ci8 h LEU 661 CO -0.02 1.01 0.00 0.61 0.09 0.00 0.00 178.44 180.13 3ci8 n GLY 662 N 1.03 0.75 0.21 0.83 0.00 0.94 -4.37 105.19 104.58 3ci8 n GLY 662 Ca -0.03 -1.62 0.05 0.00 0.00 0.00 0.00 46.02 44.42 3ci8 n GLY 662 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3ci8 h THR 663 N 0.00 1.09 0.49 2.61 2.02 -1.90 -1.78 112.91 115.44 3ci8 h THR 663 Ca 0.00 -0.98 -0.02 0.00 0.77 0.00 0.00 66.41 66.18 3ci8 h THR 663 Cb 0.00 1.54 -0.00 0.00 -1.74 0.00 0.00 68.15 67.95 3ci8 h THR 663 CO 0.00 0.27 -0.33 -0.33 0.37 0.00 0.00 175.52 175.50 3ci8 h GLU 664 N 0.00 -0.75 -0.70 6.66 4.39 -1.96 -2.07 114.58 120.15 3ci8 h GLU 664 Ca -0.00 0.05 -0.05 0.00 0.34 0.00 0.00 59.36 59.70 3ci8 h GLU 664 Cb 0.52 0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 29.31 3ci8 h GLU 664 CO 0.04 -0.50 0.24 -0.92 -1.16 0.00 0.00 179.01 176.70 3ci8 h TYR 665 N -0.78 1.10 -0.64 4.33 3.20 -1.73 -2.49 116.97 119.96 3ci8 h TYR 665 Ca -0.07 -0.10 -0.03 0.00 3.14 0.00 0.00 58.73 61.67 3ci8 h TYR 665 Cb 0.63 -0.32 -0.03 0.00 1.54 0.00 0.00 36.73 38.55 3ci8 h TYR 665 CO -0.06 0.87 0.29 0.28 -1.64 0.00 0.00 178.16 177.90 3ci8 h VAL 666 N 1.01 1.23 -0.07 1.81 2.07 -1.37 -1.53 116.25 119.40 3ci8 h VAL 666 Ca 0.23 -0.67 -0.08 0.00 0.82 0.00 0.00 66.70 67.00 3ci8 h VAL 666 Cb 0.27 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 3ci8 h VAL 666 CO -0.01 0.27 -0.34 0.71 0.02 0.00 0.00 177.57 178.22 3ci8 h THR 667 N 0.89 1.27 -0.45 2.57 1.35 -1.23 -1.33 112.91 115.98 3ci8 h THR 667 Ca 0.22 -1.27 -0.12 0.00 -0.55 0.00 0.00 66.41 64.69 3ci8 h THR 667 Cb 0.15 1.60 -0.01 0.00 -1.73 0.00 0.00 68.15 68.16 3ci8 h THR 667 CO -0.02 0.37 -0.19 0.00 -0.25 0.00 0.00 175.52 175.43 3ci8 h ALA 668 N 1.54 0.63 -0.29 6.62 0.00 -1.00 -1.30 119.26 125.45 3ci8 h ALA 668 Ca 0.01 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.50 3ci8 h ALA 668 Cb 0.66 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3ci8 h ALA 668 CO 0.05 0.59 0.01 0.82 0.00 0.00 0.00 179.25 180.71 3ci8 h ILE 669 N 0.75 1.25 -0.20 0.00 2.04 -1.01 -1.56 117.51 118.79 3ci8 h ILE 669 Ca 0.10 -0.91 0.02 0.00 1.00 0.00 0.00 64.86 65.06 3ci8 h ILE 669 Cb 0.76 1.28 -0.02 0.00 -0.74 0.00 0.00 36.82 38.10 3ci8 h ILE 669 CO 0.06 0.29 0.08 0.00 0.00 0.00 0.00 178.15 178.59 3ci8 h ALA 670 N 0.84 0.23 -0.63 1.87 0.00 -1.22 0.30 119.26 120.65 3ci8 h ALA 670 Ca 0.08 0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.04 3ci8 h ALA 670 Cb 0.42 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 3ci8 h ALA 670 CO 0.01 -0.34 0.38 -0.91 0.00 0.00 0.00 179.25 178.39 3ci8 h ASN 671 N 0.19 0.60 -0.24 0.00 2.35 -1.16 -2.57 115.58 114.75 3ci8 h ASN 671 Ca 0.08 0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 55.78 3ci8 h ASN 671 Cb 0.04 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 3ci8 h ASN 671 CO -0.07 0.41 -0.09 0.25 -1.65 0.00 0.00 177.43 176.28 3ci8 h LEU 672 N 0.73 0.50 -2.32 1.61 5.85 -0.88 -3.06 115.31 117.75 3ci8 h LEU 672 Ca 0.26 -0.39 0.00 0.00 0.84 0.00 0.00 57.88 58.59 3ci8 h LEU 672 Cb 0.06 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 40.95 3ci8 h LEU 672 CO -0.12 0.78 0.13 0.11 -0.34 0.00 0.00 178.44 179.00 3ci8 h LYS 673 N 0.22 0.00 0.00 1.25 1.79 -0.16 -0.69 116.57 118.98 3ci8 h LYS 673 Ca 0.06 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 3ci8 h LYS 673 Cb 0.58 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.23 3ci8 h LYS 673 CO 0.03 0.00 0.00 0.36 -1.08 0.00 0.00 179.45 178.76 3ci8 n LYS 674 N -2.83 0.85 -0.02 3.15 2.85 -0.99 -2.64 118.16 118.54 3ci8 n LYS 674 Ca -0.02 0.00 -0.07 0.00 -1.05 0.00 0.00 58.31 57.17 3ci8 n LYS 674 Cb 0.18 -1.50 -0.13 0.00 -0.65 0.00 0.00 35.03 32.93 3ci8 n LYS 674 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3ci8 n SER 676 N -2.98 1.34 0.00 0.00 7.64 -1.08 -5.04 113.62 113.50 3ci8 n SER 676 Ca -0.17 0.17 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3ci8 n SER 676 Cb 1.01 -0.20 0.00 0.00 -1.01 0.00 0.00 64.21 64.01 3ci8 n SER 676 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 3ci8 n LEU 681 N -3.18 0.00 -4.28 -3.43 7.94 -1.26 -5.16 117.00 107.63 3ci8 n LEU 681 Ca -0.30 0.00 -0.39 0.00 -1.11 0.00 0.00 56.01 54.21 3ci8 n LEU 681 Cb 1.06 0.00 -0.11 0.00 0.53 0.00 0.00 43.42 44.89 3ci8 n LEU 681 CO 0.40 0.00 -0.20 -0.70 -1.11 0.00 0.00 177.39 175.79 3ci8 s GLU 682 N 0.00 2.62 0.11 1.96 2.12 -1.26 -5.06 118.70 119.20 3ci8 s GLU 682 Ca 0.00 -1.26 -0.26 0.00 0.36 0.00 0.00 54.97 53.81 3ci8 s GLU 682 Cb 0.00 -3.60 0.08 0.00 0.26 0.00 0.00 34.13 30.88 3ci8 s GLU 682 CO 0.00 -0.76 1.08 0.00 -0.54 0.00 0.00 175.26 175.03 3ci8 s ALA 683 N 1.42 -1.82 -0.23 6.30 0.00 -1.26 -5.12 121.76 121.05 3ci8 s ALA 683 Ca 0.01 0.12 -0.29 0.00 0.00 0.00 0.00 51.96 51.80 3ci8 s ALA 683 Cb -0.20 0.62 0.01 0.00 0.00 0.00 0.00 23.12 23.54 3ci8 s ALA 683 CO 0.03 -1.06 1.09 0.00 0.00 0.00 0.00 175.76 175.82 3ci8 n ALA 685 N 6.45 1.23 -0.01 0.00 0.00 -1.26 -5.02 120.51 121.90 3ci8 n ALA 685 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 3ci8 n ALA 685 Cb 0.46 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 19.06 3ci8 n ALA 685 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69