#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d4i n MET 351 N 0.00 2.84 -2.24 0.00 0.00 -1.26 -3.32 117.12 113.14 3d4i n MET 351 Ca 0.00 -2.44 -0.33 0.00 0.00 0.00 0.00 57.70 54.94 3d4i n MET 351 Cb 0.00 -1.47 -0.01 0.00 0.00 0.00 0.00 33.22 31.74 3d4i n MET 351 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 3d4i s GLY 352 N -1.01 2.14 0.34 3.03 0.00 -1.26 -4.82 107.32 105.73 3d4i s GLY 352 Ca 0.39 0.33 0.06 0.00 0.00 0.00 0.00 44.72 45.50 3d4i s GLY 352 CO 0.26 0.63 1.88 1.48 0.00 0.00 0.00 173.10 177.35 3d4i h SER 353 N 0.75 0.73 0.14 1.64 4.64 -1.97 -0.60 113.55 118.88 3d4i h SER 353 Ca -0.47 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 3d4i h SER 353 Cb 1.21 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 3d4i h SER 353 CO 0.59 0.40 -0.23 0.00 -0.87 0.00 0.00 176.83 176.72 3d4i n ALA 354 N -2.41 3.02 -0.03 5.18 0.00 -1.26 -4.28 120.51 120.73 3d4i n ALA 354 Ca 0.17 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.15 3d4i n ALA 354 Cb 0.40 -1.08 -0.08 0.00 0.00 0.00 0.00 19.45 18.69 3d4i n ALA 354 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3d4i n THR 355 N -0.32 0.31 -1.72 0.00 -2.24 -0.64 -5.01 114.28 104.67 3d4i n THR 355 Ca 0.13 -0.32 -0.42 0.00 -2.27 0.00 0.00 64.05 61.17 3d4i n THR 355 Cb 0.38 -0.22 -0.01 0.00 -2.10 0.00 0.00 70.33 68.38 3d4i n THR 355 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 3d4i n ILE 356 N -2.10 1.84 -2.01 2.28 -5.35 -0.33 -4.86 119.36 108.84 3d4i n ILE 356 Ca -0.08 -0.46 -0.34 0.00 -0.27 0.00 0.00 62.75 61.59 3d4i n ILE 356 Cb 0.53 -1.70 0.03 0.00 -1.74 0.00 0.00 39.64 36.76 3d4i n ILE 356 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 3d4i s SER 357 N -0.15 5.35 -0.05 7.28 1.04 -1.26 -5.03 113.70 120.88 3d4i s SER 357 Ca 0.56 2.16 0.06 0.00 0.48 0.00 0.00 55.95 59.21 3d4i s SER 357 Cb -0.55 -2.57 -0.02 0.00 0.10 0.00 0.00 66.02 62.99 3d4i s SER 357 CO 0.61 -1.47 -0.23 -0.13 0.98 0.00 0.00 173.24 172.99 3d4i s ARG 358 N -3.60 2.47 0.28 4.02 0.52 -1.26 -4.96 118.95 116.41 3d4i s ARG 358 Ca 0.71 -0.87 -0.30 0.00 -0.52 0.00 0.00 55.73 54.75 3d4i s ARG 358 Cb -0.24 -2.18 -0.13 0.00 0.52 0.00 0.00 34.95 32.92 3d4i s ARG 358 CO 0.34 0.45 1.46 -2.13 0.02 0.00 0.00 175.30 175.44 3d4i n ARG 359 N 2.76 2.30 -4.28 3.54 0.63 -1.26 -4.60 116.66 115.76 3d4i n ARG 359 Ca -0.17 0.82 -0.24 0.00 -0.92 0.00 0.00 57.85 57.34 3d4i n ARG 359 Cb 0.52 -2.51 -0.12 0.00 0.45 0.00 0.00 32.46 30.79 3d4i n ARG 359 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 3d4i s GLY 360 N 0.28 1.23 -0.14 5.14 0.00 -0.47 -1.06 107.32 112.30 3d4i s GLY 360 Ca 0.65 -1.25 -0.00 0.00 0.00 0.00 0.00 44.72 44.12 3d4i s GLY 360 CO 0.51 -1.25 -0.10 -0.42 0.00 0.00 0.00 173.10 171.84 3d4i s ILE 361 N -1.21 1.29 -0.28 0.90 -1.09 0.03 -0.90 121.20 119.95 3d4i s ILE 361 Ca 0.06 -0.50 0.03 0.00 -2.23 0.00 0.00 60.65 58.02 3d4i s ILE 361 Cb -0.10 -1.28 0.07 0.00 -1.58 0.00 0.00 42.46 39.57 3d4i s ILE 361 CO 0.04 0.37 -0.07 -0.22 -1.23 0.00 0.00 174.94 173.84 3d4i s LEU 362 N 1.60 3.72 -0.16 2.97 2.96 -0.48 -0.94 118.68 128.34 3d4i s LEU 362 Ca 0.04 -1.52 -0.15 0.00 -0.22 0.00 0.00 54.13 52.29 3d4i s LEU 362 Cb -0.13 -1.58 -0.04 0.00 0.50 0.00 0.00 46.19 44.93 3d4i s LEU 362 CO -0.09 -0.23 0.33 -0.69 -1.32 0.00 0.00 176.35 174.35 3d4i s VAL 363 N 1.08 5.28 -0.07 1.68 1.01 -0.05 -1.11 120.40 128.22 3d4i s VAL 363 Ca -0.05 0.62 0.01 0.00 0.00 0.00 0.00 61.98 62.56 3d4i s VAL 363 Cb -0.20 -3.67 0.02 0.00 0.00 0.00 0.00 36.38 32.53 3d4i s VAL 363 CO -0.05 0.36 -0.08 -0.63 0.00 0.00 0.00 175.10 174.70 3d4i s ILE 364 N 0.65 0.87 0.31 2.22 1.01 -0.11 -1.27 121.20 124.88 3d4i s ILE 364 Ca 0.18 -0.28 -0.27 0.00 0.00 0.00 0.00 60.65 60.27 3d4i s ILE 364 Cb -0.14 -0.85 -0.09 0.00 0.01 0.00 0.00 42.46 41.39 3d4i s ILE 364 CO 0.05 0.31 1.00 -0.60 0.00 0.00 0.00 174.94 175.70 3d4i s ARG 365 N 1.05 4.58 0.94 2.79 3.52 -0.34 -0.78 118.95 130.70 3d4i s ARG 365 Ca -0.08 1.51 -0.11 0.00 -0.13 0.00 0.00 55.73 56.93 3d4i s ARG 365 Cb -0.14 -2.95 0.14 0.00 -1.56 0.00 0.00 34.95 30.44 3d4i s ARG 365 CO -0.00 0.23 1.03 -2.39 -0.81 0.00 0.00 175.30 173.36 3d4i n HIS 366 N 0.79 0.41 -1.15 5.12 1.44 -0.62 -1.95 115.22 119.26 3d4i n HIS 366 Ca 0.01 0.35 -0.30 0.00 -2.01 0.00 0.00 57.72 55.76 3d4i n HIS 366 Cb 0.48 -1.95 0.24 0.00 0.12 0.00 0.00 29.99 28.87 3d4i n HIS 366 CO 0.00 0.00 0.00 0.20 -2.81 0.00 0.00 176.34 173.73 3d4i s GLY 367 N -2.54 1.60 0.19 -1.39 0.00 -1.26 -3.01 107.32 100.91 3d4i s GLY 367 Ca 0.66 -0.97 -0.33 0.00 0.00 0.00 0.00 44.72 44.07 3d4i s GLY 367 CO 0.60 -0.10 1.55 -2.21 0.00 0.00 0.00 173.10 172.95 3d4i n GLU 368 N -4.68 2.19 -3.62 2.90 2.13 -1.26 -4.90 120.64 113.40 3d4i n GLU 368 Ca 0.13 0.79 -0.36 0.00 0.66 0.00 0.00 57.16 58.38 3d4i n GLU 368 Cb 0.59 -2.54 -0.06 0.00 0.27 0.00 0.00 31.44 29.71 3d4i n GLU 368 CO 0.00 0.00 0.00 -0.98 -0.41 0.00 0.00 177.13 175.74 3d4i s ARG 369 N 0.61 3.74 0.33 5.31 1.70 -1.26 -1.30 118.95 128.08 3d4i s ARG 369 Ca 0.76 0.18 0.04 0.00 -0.47 0.00 0.00 55.73 56.24 3d4i s ARG 369 Cb -0.65 -3.12 0.67 0.00 -0.57 0.00 0.00 34.95 31.28 3d4i s ARG 369 CO 0.40 0.65 1.90 0.28 -1.08 0.00 0.00 175.30 177.46 3d4i h VAL 370 N 3.35 0.97 0.00 4.99 2.07 -1.62 -0.76 116.25 125.24 3d4i h VAL 370 Ca -0.51 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 66.72 3d4i h VAL 370 Cb 1.21 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 3d4i h VAL 370 CO 0.63 0.16 0.00 -0.90 0.02 0.00 0.00 177.57 177.48 3d4i n ASP 371 N -4.52 0.55 -0.01 0.57 5.75 -1.26 -1.62 116.55 116.00 3d4i n ASP 371 Ca 0.15 0.61 -0.07 0.00 -0.01 0.00 0.00 54.79 55.46 3d4i n ASP 371 Cb 0.30 -0.73 0.10 0.00 -1.03 0.00 0.00 41.12 39.76 3d4i n ASP 371 CO 0.00 0.00 0.00 1.56 -0.11 0.00 0.00 177.20 178.65 3d4i h GLN 372 N 0.00 0.59 0.04 0.11 4.20 -1.44 -1.49 115.11 117.11 3d4i h GLN 372 Ca 0.00 -0.30 -0.19 0.00 0.06 0.00 0.00 58.65 58.23 3d4i h GLN 372 Cb 0.43 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.20 3d4i h GLN 372 CO 0.00 0.88 -0.99 0.28 -0.67 0.00 0.00 178.83 178.33 3d4i h VAL 373 N 0.48 1.17 -0.00 -0.54 2.07 -1.54 -3.40 116.25 114.49 3d4i h VAL 373 Ca 0.04 -2.29 0.00 0.00 0.82 0.00 0.00 66.70 65.27 3d4i h VAL 373 Cb 0.90 2.67 0.00 0.00 -1.52 0.00 0.00 31.29 33.34 3d4i h VAL 373 CO 0.08 0.51 -0.62 0.49 0.02 0.00 0.00 177.57 178.04 3d4i n PHE 374 N -4.32 0.00 -1.26 1.57 3.72 -0.64 -5.06 117.46 111.47 3d4i n PHE 374 Ca -0.24 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.16 3d4i n PHE 374 Cb 0.70 -0.08 0.00 0.00 -0.94 0.00 0.00 39.48 39.16 3d4i n PHE 374 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3d4i n GLY 375 N 1.45 -2.50 0.27 1.37 0.00 -0.56 -4.20 105.19 101.02 3d4i n GLY 375 Ca 0.07 -1.68 0.13 0.00 0.00 0.00 0.00 46.02 44.55 3d4i n GLY 375 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3d4i h LYS 376 N 0.00 0.00 -0.17 1.61 2.10 -1.98 -2.16 116.57 115.97 3d4i h LYS 376 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3d4i h LYS 376 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 3d4i h LYS 376 CO 0.00 0.11 0.00 -1.13 -2.00 0.00 0.00 179.45 176.43 3d4i n SER 377 N -3.55 0.94 -0.29 7.07 3.41 -1.26 -4.52 113.62 115.42 3d4i n SER 377 Ca -0.02 -1.95 0.09 0.00 -0.26 0.00 0.00 58.87 56.73 3d4i n SER 377 Cb 0.25 -0.11 0.25 0.00 -0.26 0.00 0.00 64.21 64.33 3d4i n SER 377 CO 0.00 0.00 0.00 4.11 -0.16 0.00 0.00 175.04 178.99 3d4i h TRP 378 N 1.05 0.68 -0.60 7.33 5.08 -1.55 -2.21 115.95 125.73 3d4i h TRP 378 Ca 0.00 0.04 -0.08 0.00 1.08 0.00 0.00 58.89 59.92 3d4i h TRP 378 Cb 0.24 -0.17 -0.02 0.00 -3.00 0.00 0.00 29.16 26.20 3d4i h TRP 378 CO 0.11 0.08 0.05 1.25 -1.28 0.00 0.00 178.44 178.65 3d4i h LEU 379 N 0.51 0.98 -1.10 0.11 5.85 -1.86 -2.36 115.31 117.44 3d4i h LEU 379 Ca 0.49 -0.25 -0.09 0.00 0.84 0.00 0.00 57.88 58.87 3d4i h LEU 379 Cb 0.80 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 3d4i h LEU 379 CO -0.43 1.01 -0.43 1.56 -0.34 0.00 0.00 178.44 179.82 3d4i h GLN 380 N 0.94 0.04 -0.33 1.25 7.50 -1.77 -2.81 115.11 119.95 3d4i h GLN 380 Ca 0.18 -0.02 -0.01 0.00 0.50 0.00 0.00 58.65 59.30 3d4i h GLN 380 Cb 0.48 -0.00 -0.02 0.00 0.05 0.00 0.00 27.48 28.00 3d4i h GLN 380 CO 0.02 0.46 0.15 1.96 -1.50 0.00 0.00 178.83 179.93 3d4i h GLN 381 N 0.04 0.45 -0.23 1.46 4.20 -0.92 -3.22 115.11 116.89 3d4i h GLN 381 Ca 0.00 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.67 3d4i h GLN 381 Cb 0.77 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.46 3d4i h GLN 381 CO 0.06 0.35 0.00 0.00 -0.67 0.00 0.00 178.83 178.57 3d4i s THR 383 N -2.78 2.98 0.90 0.00 2.01 -1.12 -1.29 115.64 116.35 3d4i s THR 383 Ca 0.40 -0.64 -0.12 0.00 0.31 0.00 0.00 61.69 61.64 3d4i s THR 383 Cb 0.33 -2.31 0.13 0.00 0.01 0.00 0.00 72.50 70.65 3d4i s THR 383 CO 0.08 0.48 1.12 0.42 -0.69 0.00 0.00 174.62 176.03 3d4i s THR 384 N 1.14 2.29 0.54 -0.82 -4.23 0.47 -4.85 115.64 110.17 3d4i s THR 384 Ca 0.01 0.09 0.26 0.00 -1.18 0.00 0.00 61.69 60.87 3d4i s THR 384 Cb -0.14 -2.79 0.39 0.00 1.34 0.00 0.00 72.50 71.30 3d4i s THR 384 CO -0.03 -0.12 2.00 0.00 -0.54 0.00 0.00 174.62 175.93 3d4i h ALA 385 N -1.46 2.43 -0.52 3.99 0.00 -1.99 0.82 119.26 122.54 3d4i h ALA 385 Ca -0.50 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3d4i h ALA 385 Cb 1.32 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.14 3d4i h ALA 385 CO 0.60 -0.63 0.00 -0.40 0.00 0.00 0.00 179.25 178.82 3d4i n ASP 386 N -4.30 3.03 0.00 0.00 5.75 -1.26 -4.95 116.55 114.82 3d4i n ASP 386 Ca 0.09 -2.08 0.00 0.00 -0.01 0.00 0.00 54.79 52.79 3d4i n ASP 386 Cb 0.59 -0.39 0.00 0.00 -1.03 0.00 0.00 41.12 40.29 3d4i n ASP 386 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3d4i n GLY 387 N 1.24 0.62 3.93 6.12 0.00 0.28 -5.05 105.19 112.33 3d4i n GLY 387 Ca 0.18 -0.29 -0.27 0.00 0.00 0.00 0.00 46.02 45.64 3d4i n GLY 387 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d4i s LYS 388 N -0.71 3.48 0.19 1.61 -0.14 -1.26 -4.76 119.74 118.15 3d4i s LYS 388 Ca 0.00 -0.46 -0.30 0.00 -1.36 0.00 0.00 55.97 53.85 3d4i s LYS 388 Cb 0.00 -2.93 -0.08 0.00 -1.68 0.00 0.00 37.83 33.14 3d4i s LYS 388 CO 0.00 0.49 1.14 -0.47 -0.76 0.00 0.00 175.35 175.75 3d4i s TYR 389 N -1.75 3.52 0.20 3.18 5.04 -1.26 -0.40 117.35 125.89 3d4i s TYR 389 Ca 0.36 1.54 -0.06 0.00 -2.44 0.00 0.00 57.07 56.48 3d4i s TYR 389 Cb -0.11 -3.34 -0.02 0.00 0.35 0.00 0.00 41.96 38.83 3d4i s TYR 389 CO 0.28 -0.84 0.25 1.52 -1.34 0.00 0.00 175.55 175.43 3d4i s TYR 390 N -0.26 0.79 -0.42 4.97 1.13 -0.41 -4.91 117.35 118.24 3d4i s TYR 390 Ca 0.50 -1.08 -0.10 0.00 -1.41 0.00 0.00 57.07 54.98 3d4i s TYR 390 Cb -0.31 -0.25 0.07 0.00 -1.10 0.00 0.00 41.96 40.36 3d4i s TYR 390 CO 0.36 -0.75 0.27 1.03 -2.51 0.00 0.00 175.55 173.95 3d4i s ARG 391 N -4.08 2.70 0.00 -3.49 0.52 -1.26 -4.63 118.95 108.71 3d4i s ARG 391 Ca 0.30 -1.37 0.29 0.00 -0.52 0.00 0.00 55.73 54.43 3d4i s ARG 391 Cb 0.04 -3.81 1.42 0.00 0.52 0.00 0.00 34.95 33.12 3d4i s ARG 391 CO 0.09 -0.91 2.00 -0.35 0.02 0.00 0.00 175.30 176.14 3d4i n PRO 392 N 4.97 0.33 -3.66 3.54 -0.04 -1.26 -4.83 135.00 134.05 3d4i n PRO 392 Ca -0.11 0.01 -0.15 0.00 -0.04 0.00 0.00 63.50 63.21 3d4i n PRO 392 Cb 0.44 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.32 3d4i n PRO 392 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3d4i s ASP 393 N -2.66 -0.40 0.17 3.54 -1.08 -1.26 -5.05 116.67 109.93 3d4i s ASP 393 Ca 0.25 0.40 0.20 0.00 -0.52 0.00 0.00 52.55 52.88 3d4i s ASP 393 Cb 0.19 0.45 0.85 0.00 -1.46 0.00 0.00 42.92 42.96 3d4i s ASP 393 CO 0.46 -0.50 1.62 0.18 0.52 0.00 0.00 175.17 177.46 3d4i n LEU 394 N 1.22 0.44 -0.02 -1.34 4.77 -1.26 -2.02 117.00 118.79 3d4i n LEU 394 Ca -0.20 0.61 0.14 0.00 -0.03 0.00 0.00 56.01 56.52 3d4i n LEU 394 Cb 0.56 -0.55 0.54 0.00 -2.33 0.00 0.00 43.42 41.65 3d4i n LEU 394 CO 0.22 -0.45 0.83 -3.20 -1.33 0.00 0.00 177.39 173.46 3d4i n ASN 395 N -1.98 0.20 -4.76 -1.43 5.15 -1.26 -4.64 115.26 106.54 3d4i n ASN 395 Ca 0.03 0.08 -0.40 0.00 -0.60 0.00 0.00 54.58 53.69 3d4i n ASN 395 Cb 0.21 -0.23 -0.03 0.00 -0.53 0.00 0.00 39.78 39.20 3d4i n ASN 395 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 3d4i s PHE 396 N -2.87 3.37 0.79 1.20 0.40 -0.86 -0.68 117.98 119.33 3d4i s PHE 396 Ca 0.17 1.61 -0.11 0.00 -0.60 0.00 0.00 56.93 58.00 3d4i s PHE 396 Cb 0.19 -3.39 0.07 0.00 0.51 0.00 0.00 43.02 40.39 3d4i s PHE 396 CO 0.56 -0.98 1.09 -1.25 0.70 0.00 0.00 175.22 175.34 3d4i s PRO 397 N -1.68 2.13 0.38 0.24 0.04 -1.26 -4.59 135.00 130.25 3d4i s PRO 397 Ca 0.48 1.18 0.09 0.00 0.04 0.00 0.00 61.00 62.78 3d4i s PRO 397 Cb -0.33 -1.88 0.84 0.00 0.04 0.00 0.00 34.50 33.16 3d4i s PRO 397 CO 0.43 -1.73 1.93 0.00 0.04 0.00 0.00 177.00 177.67 3d4i h ARG 398 N -1.20 0.63 -3.52 4.56 3.08 -1.96 -3.45 114.38 112.53 3d4i h ARG 398 Ca -0.44 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 59.52 3d4i h ARG 398 Cb 1.24 -0.14 -0.12 0.00 0.08 0.00 0.00 29.97 31.02 3d4i h ARG 398 CO 0.51 0.42 -0.13 -1.54 -1.07 0.00 0.00 179.97 178.15 3d4i s SER 399 N -6.07 -0.14 0.01 7.04 1.04 -1.26 -4.96 113.70 109.36 3d4i s SER 399 Ca -0.09 -0.53 0.01 0.00 0.48 0.00 0.00 55.95 55.83 3d4i s SER 399 Cb 0.20 0.48 -0.04 0.00 0.10 0.00 0.00 66.02 66.76 3d4i s SER 399 CO 0.77 -0.91 0.03 -0.76 0.98 0.00 0.00 173.24 173.35 3d4i s LEU 400 N -2.87 3.63 0.48 2.42 1.43 -1.26 -5.11 118.68 117.39 3d4i s LEU 400 Ca 0.08 0.02 -0.24 0.00 -1.03 0.00 0.00 54.13 52.96 3d4i s LEU 400 Cb 0.02 -2.13 -0.08 0.00 0.03 0.00 0.00 46.19 44.03 3d4i s LEU 400 CO -0.07 0.26 1.27 -2.65 0.23 0.00 0.00 176.35 175.39 3d4i n PRO 401 N 1.20 1.76 -1.69 1.29 -0.02 -1.26 -4.94 135.00 131.34 3d4i n PRO 401 Ca -0.13 0.64 -0.44 0.00 -2.02 0.00 0.00 63.50 61.54 3d4i n PRO 401 Cb 0.53 -2.43 -0.04 0.00 -0.02 0.00 0.00 33.50 31.54 3d4i n PRO 401 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3d4i n ARG 402 N -0.39 2.41 -4.19 -0.52 5.12 -1.26 -4.97 116.66 112.86 3d4i n ARG 402 Ca 0.08 0.87 -0.13 0.00 -1.93 0.00 0.00 57.85 56.75 3d4i n ARG 402 Cb 0.42 -2.67 -0.10 0.00 -1.16 0.00 0.00 32.46 28.94 3d4i n ARG 402 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 3d4i s ARG 403 N 1.11 0.89 0.41 5.56 3.52 -1.26 -4.90 118.95 124.27 3d4i s ARG 403 Ca 0.78 -1.31 -0.24 0.00 -0.13 0.00 0.00 55.73 54.83 3d4i s ARG 403 Cb -0.61 -0.40 -0.09 0.00 -1.56 0.00 0.00 34.95 32.29 3d4i s ARG 403 CO 0.36 0.03 1.06 -1.54 -0.81 0.00 0.00 175.30 174.40 3d4i s SER 404 N -2.89 6.69 -1.74 -2.12 1.04 -1.26 -3.76 113.70 109.66 3d4i s SER 404 Ca 0.11 2.06 0.00 0.00 0.48 0.00 0.00 55.95 58.60 3d4i s SER 404 Cb 0.02 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.55 3d4i s SER 404 CO -0.02 -0.54 0.00 0.59 0.98 0.00 0.00 173.24 174.25 3d4i n ASN 405 N -0.13 -5.18 0.00 7.02 5.03 -1.26 -4.64 115.26 116.09 3d4i n ASN 405 Ca 0.05 0.25 0.00 0.00 0.87 0.00 0.00 54.58 55.75 3d4i n ASN 405 Cb 0.50 -4.26 0.00 0.00 -1.02 0.00 0.00 39.78 35.00 3d4i n ASN 405 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3d4i n GLY 406 N -0.88 0.49 0.28 7.41 0.00 -1.25 -3.79 105.19 107.45 3d4i n GLY 406 Ca -0.19 -0.86 0.13 0.00 0.00 0.00 0.00 46.02 45.10 3d4i n GLY 406 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3d4i h ILE 407 N 0.00 0.57 0.00 -0.61 2.10 -1.88 -3.28 117.51 114.41 3d4i h ILE 407 Ca 0.00 -0.29 -0.02 0.00 1.08 0.00 0.00 64.86 65.64 3d4i h ILE 407 Cb 0.00 1.18 -0.00 0.00 -1.09 0.00 0.00 36.82 36.91 3d4i h ILE 407 CO 0.00 0.06 -0.07 0.11 -1.08 0.00 0.00 178.15 177.17 3d4i h LYS 408 N 0.00 0.00 0.00 2.19 1.57 -1.91 -2.86 116.57 115.56 3d4i h LYS 408 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3d4i h LYS 408 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.49 3d4i h LYS 408 CO 0.01 0.07 0.00 -0.44 -0.57 0.00 0.00 179.45 178.52 3d4i h ASP 409 N 0.00 0.00 0.84 0.86 3.32 -1.76 -2.95 116.42 116.73 3d4i h ASP 409 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3d4i h ASP 409 Cb 0.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.89 3d4i h ASP 409 CO 0.01 0.00 0.00 -0.26 -1.72 0.00 0.00 179.24 177.27 3d4i h PHE 410 N 0.00 0.00 -0.62 4.55 0.04 -1.78 -3.32 116.94 115.81 3d4i h PHE 410 Ca 0.00 0.00 0.07 0.00 2.80 0.00 0.00 57.97 60.84 3d4i h PHE 410 Cb 0.58 0.00 -0.08 0.00 2.20 0.00 0.00 35.95 38.65 3d4i h PHE 410 CO 0.00 0.00 -0.32 -1.91 -0.60 0.00 0.00 178.31 175.48 3d4i n GLU 411 N -2.65 -0.23 -0.24 1.51 4.07 -1.11 -1.19 120.64 120.79 3d4i n GLU 411 Ca 0.01 0.94 0.09 0.00 -0.06 0.00 0.00 57.16 58.14 3d4i n GLU 411 Cb 0.26 -1.38 0.22 0.00 -0.06 0.00 0.00 31.44 30.47 3d4i n GLU 411 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 3d4i n ASN 412 N -4.82 3.33 -3.11 4.31 3.02 -1.25 -4.63 115.26 112.10 3d4i n ASN 412 Ca 0.03 -1.97 -0.19 0.00 -0.03 0.00 0.00 54.58 52.42 3d4i n ASN 412 Cb 0.19 -0.32 -0.03 0.00 -0.61 0.00 0.00 39.78 39.01 3d4i n ASN 412 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3d4i n ASP 413 N 1.06 -0.06 -4.80 6.41 2.03 -0.34 -4.94 116.55 115.92 3d4i n ASP 413 Ca 0.17 -2.97 -0.34 0.00 0.52 0.00 0.00 54.79 52.18 3d4i n ASP 413 Cb 0.51 -0.18 -0.02 0.00 -0.72 0.00 0.00 41.12 40.71 3d4i n ASP 413 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3d4i s PRO 414 N -1.40 3.60 0.83 -0.67 0.04 -1.19 -4.70 135.00 131.53 3d4i s PRO 414 Ca 0.36 1.35 -0.12 0.00 0.04 0.00 0.00 61.00 62.63 3d4i s PRO 414 Cb 0.26 -2.06 0.09 0.00 0.04 0.00 0.00 34.50 32.83 3d4i s PRO 414 CO -0.10 -0.60 1.17 -1.25 0.04 0.00 0.00 177.00 176.26 3d4i s PRO 415 N -3.47 1.78 0.47 0.56 0.04 -1.26 -3.63 135.00 129.49 3d4i s PRO 415 Ca 0.67 0.16 -0.23 0.00 0.04 0.00 0.00 61.00 61.64 3d4i s PRO 415 Cb -0.17 -1.92 -0.07 0.00 0.04 0.00 0.00 34.50 32.37 3d4i s PRO 415 CO 0.25 -1.73 1.25 -0.51 0.04 0.00 0.00 177.00 176.30 3d4i s LEU 416 N -5.68 4.01 0.97 -3.56 1.43 -1.26 -1.85 118.68 112.73 3d4i s LEU 416 Ca 0.62 2.52 -0.12 0.00 -1.03 0.00 0.00 54.13 56.12 3d4i s LEU 416 Cb -0.12 -4.18 0.17 0.00 0.03 0.00 0.00 46.19 42.10 3d4i s LEU 416 CO 0.50 -1.10 1.11 -0.94 0.23 0.00 0.00 176.35 176.16 3d4i s SER 417 N -1.10 2.90 0.29 2.29 1.04 -0.42 -4.50 113.70 114.20 3d4i s SER 417 Ca 0.64 1.07 0.02 0.00 0.48 0.00 0.00 55.95 58.16 3d4i s SER 417 Cb -0.34 -1.69 0.57 0.00 0.10 0.00 0.00 66.02 64.65 3d4i s SER 417 CO 0.42 -2.94 1.85 0.28 0.98 0.00 0.00 173.24 173.83 3d4i h SER 418 N -1.76 0.91 -0.49 7.02 0.02 -1.15 -1.39 113.55 116.70 3d4i h SER 418 Ca -0.53 0.04 -0.12 0.00 -0.84 0.00 0.00 61.79 60.33 3d4i h SER 418 Cb 1.33 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.71 3d4i h SER 418 CO 0.59 0.50 -0.16 0.00 -1.14 0.00 0.00 176.83 176.63 3d4i h GLY 420 N 0.91 1.30 0.96 0.00 0.00 -1.50 0.48 103.07 105.22 3d4i h GLY 420 Ca 0.13 -0.46 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 3d4i h GLY 420 CO 0.06 0.43 0.16 -2.22 0.00 0.00 0.00 176.54 174.96 3d4i h ILE 421 N 1.19 1.13 -0.48 2.60 2.04 -1.09 -1.12 117.51 121.78 3d4i h ILE 421 Ca 0.35 -0.33 0.06 0.00 1.00 0.00 0.00 64.86 65.94 3d4i h ILE 421 Cb -0.07 0.82 -0.05 0.00 -0.74 0.00 0.00 36.82 36.78 3d4i h ILE 421 CO -0.10 0.13 0.17 0.15 0.00 0.00 0.00 178.15 178.50 3d4i h PHE 422 N 0.35 0.30 -0.58 1.37 3.57 -0.81 -1.20 116.94 119.95 3d4i h PHE 422 Ca 0.10 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.62 3d4i h PHE 422 Cb 0.06 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.71 3d4i h PHE 422 CO -0.03 0.10 0.34 1.96 -2.23 0.00 0.00 178.31 178.45 3d4i h GLN 423 N 0.35 0.79 -0.35 1.11 4.20 -0.63 -0.15 115.11 120.42 3d4i h GLN 423 Ca 0.23 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.83 3d4i h GLN 423 Cb 0.23 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 3d4i h GLN 423 CO -0.23 0.57 0.10 0.00 -0.67 0.00 0.00 178.83 178.60 3d4i h ALA 424 N 1.17 0.46 -0.74 3.87 0.00 -1.02 -1.67 119.26 121.34 3d4i h ALA 424 Ca 0.21 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 3d4i h ALA 424 Cb -0.01 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3d4i h ALA 424 CO -0.04 0.12 0.21 0.00 0.00 0.00 0.00 179.25 179.54 3d4i h ARG 425 N 0.42 1.16 -0.34 0.00 3.08 -1.05 -1.28 114.38 116.36 3d4i h ARG 425 Ca 0.11 -0.26 -0.01 0.00 0.07 0.00 0.00 59.98 59.89 3d4i h ARG 425 Cb 0.28 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 3d4i h ARG 425 CO -0.00 1.00 0.16 1.25 -1.07 0.00 0.00 179.97 181.30 3d4i h LEU 426 N 1.11 0.45 -0.43 3.04 5.85 -0.81 -0.33 115.31 124.19 3d4i h LEU 426 Ca 0.24 -0.14 0.04 0.00 0.84 0.00 0.00 57.88 58.86 3d4i h LEU 426 Cb 0.33 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 3d4i h LEU 426 CO -0.00 0.46 0.18 0.00 -0.34 0.00 0.00 178.44 178.74 3d4i h ALA 427 N 1.01 0.52 -0.48 1.25 0.00 -1.21 -1.03 119.26 119.32 3d4i h ALA 427 Ca 0.12 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.07 3d4i h ALA 427 Cb 0.14 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3d4i h ALA 427 CO -0.01 -0.19 0.32 0.78 0.00 0.00 0.00 179.25 180.14 3d4i h GLY 428 N 0.37 0.68 0.91 0.00 0.00 -0.98 -0.27 103.07 103.78 3d4i h GLY 428 Ca 0.19 -0.25 0.02 0.00 0.00 0.00 0.00 47.33 47.30 3d4i h GLY 428 CO -0.17 0.24 0.49 -2.09 0.00 0.00 0.00 176.54 175.01 3d4i h GLU 429 N 0.64 0.94 -0.60 4.80 4.81 -0.96 -0.10 114.58 124.12 3d4i h GLU 429 Ca 0.18 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.31 3d4i h GLU 429 Cb -0.06 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 29.08 3d4i h GLU 429 CO -0.05 0.62 0.21 0.00 -0.73 0.00 0.00 179.01 179.06 3d4i h ALA 430 N 1.31 0.78 -0.46 2.92 0.00 -0.85 -0.38 119.26 122.58 3d4i h ALA 430 Ca 0.30 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 55.06 3d4i h ALA 430 Cb -0.02 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.50 3d4i h ALA 430 CO -0.10 0.42 0.22 -0.07 0.00 0.00 0.00 179.25 179.73 3d4i h LEU 431 N 0.84 0.31 -0.23 0.00 3.38 -0.67 0.34 115.31 119.28 3d4i h LEU 431 Ca 0.19 0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.24 3d4i h LEU 431 Cb 0.25 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.92 3d4i h LEU 431 CO -0.01 0.22 -0.11 0.25 0.09 0.00 0.00 178.44 178.88 3d4i h LEU 432 N 0.44 -0.36 -1.43 1.67 5.85 -0.70 -2.73 115.31 118.05 3d4i h LEU 432 Ca 0.20 0.09 0.07 0.00 0.84 0.00 0.00 57.88 59.08 3d4i h LEU 432 Cb 0.12 0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.31 3d4i h LEU 432 CO -0.15 -0.14 0.45 0.44 -0.34 0.00 0.00 178.44 178.70 3d4i h ASP 433 N -0.08 0.61 0.79 1.25 3.32 -0.44 -2.35 116.42 119.52 3d4i h ASP 433 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 3d4i h ASP 433 Cb 0.26 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.68 3d4i h ASP 433 CO -0.28 0.39 0.00 0.77 -1.72 0.00 0.00 179.24 178.41 3d4i h SER 434 N 0.69 0.00 0.00 6.45 4.64 -0.63 -3.47 113.55 121.24 3d4i h SER 434 Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 3d4i h SER 434 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 3d4i h SER 434 CO -0.10 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.47 3d4i n GLY 435 N -0.11 0.96 3.74 -0.77 0.00 -0.88 -5.01 105.19 103.11 3d4i n GLY 435 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 3d4i n GLY 435 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3d4i s VAL 436 N -3.61 2.56 -0.43 1.61 -7.23 -1.26 -4.98 120.40 107.06 3d4i s VAL 436 Ca 0.00 0.31 -0.20 0.00 -1.81 0.00 0.00 61.98 60.28 3d4i s VAL 436 Cb 0.00 -3.00 0.02 0.00 0.56 0.00 0.00 36.38 33.97 3d4i s VAL 436 CO 0.00 -0.11 0.62 -0.60 -0.31 0.00 0.00 175.10 174.69 3d4i s ARG 437 N -3.62 3.26 -0.19 4.82 3.52 -1.26 -4.94 118.95 120.54 3d4i s ARG 437 Ca 0.75 -0.41 -0.15 0.00 -0.13 0.00 0.00 55.73 55.79 3d4i s ARG 437 Cb -0.29 -3.95 -0.04 0.00 -1.56 0.00 0.00 34.95 29.11 3d4i s ARG 437 CO 0.38 -0.98 0.35 0.08 -0.81 0.00 0.00 175.30 174.32 3d4i s VAL 438 N 2.73 5.24 -0.11 7.11 1.01 -1.26 -0.23 120.40 134.89 3d4i s VAL 438 Ca 0.21 0.63 0.04 0.00 0.00 0.00 0.00 61.98 62.86 3d4i s VAL 438 Cb -0.14 -3.69 -0.05 0.00 0.00 0.00 0.00 36.38 32.50 3d4i s VAL 438 CO 0.18 0.29 0.14 0.35 0.00 0.00 0.00 175.10 176.06 3d4i n THR 439 N 4.14 0.00 -3.52 3.92 -2.24 -0.24 -4.88 114.28 111.45 3d4i n THR 439 Ca -0.10 -0.27 -0.14 0.00 -2.27 0.00 0.00 64.05 61.27 3d4i n THR 439 Cb 0.51 0.75 -0.05 0.00 -2.10 0.00 0.00 70.33 69.45 3d4i n THR 439 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3d4i s ALA 440 N -1.76 -1.79 -0.06 6.98 0.00 -1.23 -5.01 121.76 118.88 3d4i s ALA 440 Ca 0.00 1.23 -0.03 0.00 0.00 0.00 0.00 51.96 53.17 3d4i s ALA 440 Cb 0.03 -0.00 0.04 0.00 0.00 0.00 0.00 23.12 23.19 3d4i s ALA 440 CO 0.17 -0.45 0.13 0.14 0.00 0.00 0.00 175.76 175.76 3d4i s VAL 441 N -1.75 -0.09 -0.01 0.00 -7.23 -1.26 -0.50 120.40 109.57 3d4i s VAL 441 Ca -0.05 0.22 0.04 0.00 -1.81 0.00 0.00 61.98 60.38 3d4i s VAL 441 Cb -0.00 -0.23 -0.03 0.00 0.56 0.00 0.00 36.38 36.67 3d4i s VAL 441 CO 0.03 0.09 -0.11 -0.36 -0.31 0.00 0.00 175.10 174.44 3d4i s PHE 442 N 1.38 2.79 0.02 2.82 0.40 0.00 -0.79 117.98 124.60 3d4i s PHE 442 Ca -0.07 -0.10 0.02 0.00 -0.60 0.00 0.00 56.93 56.18 3d4i s PHE 442 Cb -0.12 -1.60 -0.01 0.00 0.51 0.00 0.00 43.02 41.80 3d4i s PHE 442 CO -0.06 0.31 -0.06 0.00 0.70 0.00 0.00 175.22 176.11 3d4i s ALA 443 N -0.91 0.50 0.42 5.36 0.00 -0.22 -0.78 121.76 126.13 3d4i s ALA 443 Ca 0.15 -0.50 -0.25 0.00 0.00 0.00 0.00 51.96 51.37 3d4i s ALA 443 Cb -0.11 -0.03 -0.10 0.00 0.00 0.00 0.00 23.12 22.88 3d4i s ALA 443 CO 0.05 0.04 1.15 0.45 0.00 0.00 0.00 175.76 177.45 3d4i n SER 444 N 2.20 1.94 0.09 0.00 2.88 -0.68 -0.73 113.62 119.32 3d4i n SER 444 Ca -0.18 1.07 0.08 0.00 -1.33 0.00 0.00 58.87 58.51 3d4i n SER 444 Cb 0.56 -1.43 0.37 0.00 -0.75 0.00 0.00 64.21 62.97 3d4i n SER 444 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3d4i n PRO 445 N 0.06 0.10 -1.71 -1.46 -0.04 -1.26 -3.76 135.00 126.92 3d4i n PRO 445 Ca 0.08 0.48 -0.43 0.00 -0.04 0.00 0.00 63.50 63.59 3d4i n PRO 445 Cb 0.39 -1.74 -0.01 0.00 -0.04 0.00 0.00 33.50 32.09 3d4i n PRO 445 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3d4i n ALA 446 N -1.66 1.76 -0.15 0.55 0.00 -1.26 -4.63 120.51 115.12 3d4i n ALA 446 Ca 0.01 0.38 -0.03 0.00 0.00 0.00 0.00 53.44 53.80 3d4i n ALA 446 Cb 0.10 -2.34 0.06 0.00 0.00 0.00 0.00 19.45 17.27 3d4i n ALA 446 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3d4i h LEU 447 N 3.76 -0.06 -1.50 0.00 5.85 -1.84 -1.21 115.31 120.32 3d4i h LEU 447 Ca -0.47 0.09 0.14 0.00 0.84 0.00 0.00 57.88 58.48 3d4i h LEU 447 Cb 1.26 0.14 -0.05 0.00 0.37 0.00 0.00 40.66 42.37 3d4i h LEU 447 CO 0.72 0.00 0.51 0.08 -0.34 0.00 0.00 178.44 179.41 3d4i h ARG 448 N 0.19 0.49 0.01 1.25 0.11 -1.88 0.12 114.38 114.67 3d4i h ARG 448 Ca 0.24 -0.03 -0.04 0.00 0.10 0.00 0.00 59.98 60.25 3d4i h ARG 448 Cb 0.32 -0.11 0.00 0.00 1.11 0.00 0.00 29.97 31.30 3d4i h ARG 448 CO -0.33 0.32 -0.17 0.00 0.10 0.00 0.00 179.97 179.89 3d4i h VAL 450 N -0.70 1.12 -0.31 0.00 2.07 -0.90 -1.09 116.25 116.44 3d4i h VAL 450 Ca -0.02 -0.34 -0.04 0.00 0.82 0.00 0.00 66.70 67.12 3d4i h VAL 450 Cb 1.01 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 3d4i h VAL 450 CO 0.03 0.18 0.04 1.56 0.02 0.00 0.00 177.57 179.40 3d4i h GLN 451 N 0.99 0.51 -0.42 1.57 4.20 -0.83 -1.09 115.11 120.04 3d4i h GLN 451 Ca 0.33 -0.14 0.05 0.00 0.06 0.00 0.00 58.65 58.94 3d4i h GLN 451 Cb 0.06 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 27.74 3d4i h GLN 451 CO -0.10 0.62 0.17 1.15 -0.67 0.00 0.00 178.83 180.00 3d4i h THR 452 N 0.33 0.90 -0.24 -0.54 2.02 -1.15 -0.86 112.91 113.38 3d4i h THR 452 Ca 0.09 -0.12 0.03 0.00 0.77 0.00 0.00 66.41 67.18 3d4i h THR 452 Cb 0.36 0.52 -0.03 0.00 -1.74 0.00 0.00 68.15 67.27 3d4i h THR 452 CO 0.01 0.06 0.07 0.00 0.37 0.00 0.00 175.52 176.03 3d4i h ALA 453 N 1.26 0.26 -0.34 6.16 0.00 -0.99 -1.69 119.26 123.91 3d4i h ALA 453 Ca 0.19 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.16 3d4i h ALA 453 Cb 0.16 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3d4i h ALA 453 CO -0.18 -0.35 0.15 -0.22 0.00 0.00 0.00 179.25 178.66 3d4i h LYS 454 N 0.17 0.31 -0.59 0.00 3.64 -0.79 -1.79 116.57 117.53 3d4i h LYS 454 Ca 0.10 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.37 3d4i h LYS 454 Cb 0.08 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 3d4i h LYS 454 CO -0.12 0.21 0.01 0.45 -2.27 0.00 0.00 179.45 177.73 3d4i h HIS 455 N 0.32 1.12 -0.03 1.91 3.86 -0.93 -0.42 115.15 120.99 3d4i h HIS 455 Ca 0.15 -0.19 0.02 0.00 -1.16 0.00 0.00 60.37 59.18 3d4i h HIS 455 Cb 0.08 -0.29 -0.02 0.00 1.06 0.00 0.00 27.41 28.23 3d4i h HIS 455 CO -0.11 1.00 -0.08 0.82 0.86 0.00 0.00 177.93 180.42 3d4i h ILE 456 N 0.93 0.78 -0.84 2.45 2.04 -1.21 -2.38 117.51 119.28 3d4i h ILE 456 Ca 0.17 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.03 3d4i h ILE 456 Cb 0.55 0.78 -0.04 0.00 -0.74 0.00 0.00 36.82 37.37 3d4i h ILE 456 CO 0.03 0.00 0.55 -0.07 0.00 0.00 0.00 178.15 178.66 3d4i h LEU 457 N -0.13 0.97 -0.68 1.44 3.38 -0.99 -0.52 115.31 118.78 3d4i h LEU 457 Ca 0.04 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 3d4i h LEU 457 Cb 0.19 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 3d4i h LEU 457 CO -0.11 0.71 0.33 -0.33 0.09 0.00 0.00 178.44 179.12 3d4i h GLU 458 N 1.14 0.97 0.00 1.13 5.08 -0.92 -0.27 114.58 121.71 3d4i h GLU 458 Ca 0.31 -0.14 -0.09 0.00 -1.00 0.00 0.00 59.36 58.43 3d4i h GLU 458 Cb -0.12 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 28.94 3d4i h GLU 458 CO -0.06 0.77 -0.44 0.93 -1.00 0.00 0.00 179.01 179.21 3d4i h GLU 459 N 0.94 0.00 0.00 2.33 4.39 -1.04 -2.21 114.58 118.99 3d4i h GLU 459 Ca 0.23 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.93 3d4i h GLU 459 Cb 0.11 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 3d4i h GLU 459 CO -0.03 0.44 0.00 1.28 -1.16 0.00 0.00 179.01 179.54 3d4i n LEU 460 N -3.42 0.55 -1.48 1.33 7.99 -0.24 -4.45 117.00 117.28 3d4i n LEU 460 Ca 0.01 0.59 -0.13 0.00 -0.01 0.00 0.00 56.01 56.46 3d4i n LEU 460 Cb 0.60 -0.45 -0.01 0.00 -0.11 0.00 0.00 43.42 43.45 3d4i n LEU 460 CO 0.38 -0.29 -0.17 0.29 -1.51 0.00 0.00 177.39 176.10 3d4i n LYS 461 N -2.05 -1.05 -0.05 3.23 5.02 -0.57 -4.92 118.16 117.76 3d4i n LYS 461 Ca 0.04 0.67 0.02 0.00 -2.02 0.00 0.00 58.31 57.03 3d4i n LYS 461 Cb 0.32 -4.90 0.05 0.00 -0.02 0.00 0.00 35.03 30.48 3d4i n LYS 461 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3d4i n LEU 462 N -1.88 2.14 0.25 -0.35 4.77 -0.22 -4.76 117.00 116.94 3d4i n LEU 462 Ca -0.16 -1.81 0.10 0.00 -0.03 0.00 0.00 56.01 54.11 3d4i n LEU 462 Cb 0.61 -0.07 0.63 0.00 -2.33 0.00 0.00 43.42 42.26 3d4i n LEU 462 CO 0.19 0.53 0.94 1.05 -1.33 0.00 0.00 177.39 178.76 3d4i h GLU 463 N 0.73 0.00 0.00 3.23 9.09 -1.80 0.04 114.58 125.87 3d4i h GLU 463 Ca 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.39 3d4i h GLU 463 Cb 0.50 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.60 3d4i h GLU 463 CO 0.00 0.16 -1.47 1.63 0.05 0.00 0.00 179.01 179.37 3d4i n LYS 464 N -3.90 0.63 -0.02 1.06 5.02 -1.26 -4.41 118.16 115.28 3d4i n LYS 464 Ca -0.02 -0.01 -0.16 0.00 -2.02 0.00 0.00 58.31 56.09 3d4i n LYS 464 Cb 0.25 -1.69 -0.14 0.00 -0.02 0.00 0.00 35.03 33.43 3d4i n LYS 464 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 3d4i h LYS 465 N 0.00 0.13 -5.44 1.97 3.64 -1.71 -3.45 116.57 111.72 3d4i h LYS 465 Ca -0.02 -0.22 -0.64 0.00 -1.27 0.00 0.00 60.65 58.51 3d4i h LYS 465 Cb 1.05 0.08 -0.17 0.00 -0.41 0.00 0.00 32.23 32.79 3d4i h LYS 465 CO 0.00 1.09 -0.60 -0.51 -2.27 0.00 0.00 179.45 177.17 3d4i s LEU 466 N -8.10 3.65 0.10 5.20 1.43 -0.06 -5.10 118.68 115.81 3d4i s LEU 466 Ca -0.17 0.06 -0.18 0.00 -1.03 0.00 0.00 54.13 52.82 3d4i s LEU 466 Cb -0.01 -1.89 -0.07 0.00 0.03 0.00 0.00 46.19 44.24 3d4i s LEU 466 CO 0.75 0.22 0.56 -0.54 0.23 0.00 0.00 176.35 177.58 3d4i s LYS 467 N 0.05 4.12 -0.12 1.70 1.02 -1.26 -4.70 119.74 120.55 3d4i s LYS 467 Ca 0.04 0.65 -0.30 0.00 0.02 0.00 0.00 55.97 56.38 3d4i s LYS 467 Cb -0.13 -3.12 -0.02 0.00 -0.52 0.00 0.00 37.83 34.04 3d4i s LYS 467 CO 0.01 0.58 1.18 0.42 -0.92 0.00 0.00 175.35 176.63 3d4i s ILE 468 N -1.24 4.37 -0.44 2.17 1.01 0.01 -4.51 121.20 122.56 3d4i s ILE 468 Ca 0.32 1.67 -0.20 0.00 0.00 0.00 0.00 60.65 62.44 3d4i s ILE 468 Cb -0.18 -4.08 0.03 0.00 0.01 0.00 0.00 42.46 38.24 3d4i s ILE 468 CO 0.19 -0.07 0.62 -0.13 0.00 0.00 0.00 174.94 175.55 3d4i s ARG 469 N 2.77 3.24 -0.25 2.79 0.52 0.03 -0.39 118.95 127.65 3d4i s ARG 469 Ca 0.53 -0.47 -0.27 0.00 -0.52 0.00 0.00 55.73 55.00 3d4i s ARG 469 Cb -0.22 -3.97 0.01 0.00 0.52 0.00 0.00 34.95 31.29 3d4i s ARG 469 CO 0.17 -1.02 0.96 0.08 0.02 0.00 0.00 175.30 175.51 3d4i s VAL 470 N 2.73 4.72 -0.40 3.52 1.01 -1.26 -1.06 120.40 129.65 3d4i s VAL 470 Ca 0.21 1.78 0.04 0.00 0.00 0.00 0.00 61.98 64.00 3d4i s VAL 470 Cb -0.15 -4.25 0.11 0.00 0.00 0.00 0.00 36.38 32.09 3d4i s VAL 470 CO 0.18 -0.19 0.13 -0.70 0.00 0.00 0.00 175.10 174.51 3d4i s GLU 471 N 3.13 1.58 0.66 2.72 2.56 0.09 -4.68 118.70 124.76 3d4i s GLU 471 Ca 0.40 -2.08 0.37 0.00 0.00 0.00 0.00 54.97 53.66 3d4i s GLU 471 Cb -0.15 -3.13 2.01 0.00 2.00 0.00 0.00 34.13 34.86 3d4i s GLU 471 CO 0.08 -1.01 2.15 -1.35 -0.56 0.00 0.00 175.26 174.58 3d4i h PRO 472 N 7.24 0.00 0.00 4.30 0.11 -1.82 -1.91 132.00 139.92 3d4i h PRO 472 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 3d4i h PRO 472 Cb 0.97 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.08 3d4i h PRO 472 CO 0.57 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.77 3d4i n GLY 473 N -1.18 -0.92 0.75 -0.55 0.00 -1.23 -1.41 105.19 100.65 3d4i n GLY 473 Ca -0.02 0.08 0.08 0.00 0.00 0.00 0.00 46.02 46.16 3d4i n GLY 473 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3d4i n ILE 474 N -1.96 1.98 -0.87 -0.61 -5.35 -0.72 -4.20 119.36 107.64 3d4i n ILE 474 Ca 0.01 -1.73 -0.30 0.00 -0.27 0.00 0.00 62.75 60.46 3d4i n ILE 474 Cb 0.10 -0.10 0.18 0.00 -1.74 0.00 0.00 39.64 38.09 3d4i n ILE 474 CO 0.00 0.00 0.00 0.12 -1.76 0.00 0.00 176.55 174.91 3d4i s PHE 475 N -2.45 1.85 0.69 4.28 5.36 -0.50 -4.60 117.98 122.62 3d4i s PHE 475 Ca 0.37 1.42 -0.17 0.00 -0.96 0.00 0.00 56.93 57.59 3d4i s PHE 475 Cb 0.29 -3.19 -0.00 0.00 -0.34 0.00 0.00 43.02 39.77 3d4i s PHE 475 CO 0.09 -2.90 1.07 -1.91 -1.46 0.00 0.00 175.22 170.11 3d4i n GLU 476 N -4.26 0.70 -1.66 10.12 4.07 -1.26 -4.92 120.64 123.42 3d4i n GLU 476 Ca 0.07 0.30 -0.47 0.00 -0.06 0.00 0.00 57.16 57.00 3d4i n GLU 476 Cb 0.54 -2.31 -0.05 0.00 -0.06 0.00 0.00 31.44 29.56 3d4i n GLU 476 CO 0.00 0.00 0.00 1.87 -0.06 0.00 0.00 177.13 178.94 3d4i n TRP 477 N -2.29 2.21 0.27 4.31 -0.00 -1.26 -4.86 117.44 115.81 3d4i n TRP 477 Ca 0.14 0.26 0.12 0.00 -0.00 0.00 0.00 57.50 58.02 3d4i n TRP 477 Cb 0.49 -2.54 0.76 0.00 -0.00 0.00 0.00 31.31 30.01 3d4i n TRP 477 CO 0.00 0.00 0.00 0.52 -0.00 0.00 0.00 177.69 178.21 3d4i h MET 478 N 6.47 0.00 -1.09 5.87 2.86 -1.86 -0.83 114.93 126.34 3d4i h MET 478 Ca -0.46 0.00 0.30 0.00 -2.06 0.00 0.00 59.70 57.48 3d4i h MET 478 Cb 1.27 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.86 3d4i h MET 478 CO 0.89 0.08 0.74 -0.22 1.06 0.00 0.00 176.91 179.47 3d4i h LYS 479 N 0.00 0.19 -0.55 1.72 1.63 -1.80 -1.95 116.57 115.82 3d4i h LYS 479 Ca -0.00 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 3d4i h LYS 479 Cb 0.21 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.79 3d4i h LYS 479 CO 0.01 0.13 0.00 0.91 -3.45 0.00 0.00 179.45 177.05 3d4i n TRP 480 N -4.42 1.01 -4.29 1.91 8.01 -0.32 -4.96 117.44 114.39 3d4i n TRP 480 Ca 0.25 -0.58 -0.17 0.00 -1.31 0.00 0.00 57.50 55.70 3d4i n TRP 480 Cb 1.04 -0.13 -0.10 0.00 -2.01 0.00 0.00 31.31 30.11 3d4i n TRP 480 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.69 175.47 3d4i s GLU 481 N -1.48 1.16 0.43 -0.99 0.41 -0.73 -5.04 118.70 112.45 3d4i s GLU 481 Ca 0.42 -1.46 -0.26 0.00 -0.41 0.00 0.00 54.97 53.26 3d4i s GLU 481 Cb 0.25 -0.88 -0.08 0.00 -1.78 0.00 0.00 34.13 31.64 3d4i s GLU 481 CO 0.23 0.14 1.36 0.00 -0.49 0.00 0.00 175.26 176.50 3d4i s ALA 482 N -2.94 3.24 0.42 5.21 0.00 -1.26 -4.91 121.76 121.53 3d4i s ALA 482 Ca 0.17 1.35 0.11 0.00 0.00 0.00 0.00 51.96 53.59 3d4i s ALA 482 Cb -0.00 -3.54 0.95 0.00 0.00 0.00 0.00 23.12 20.53 3d4i s ALA 482 CO 0.04 -1.01 2.00 0.77 0.00 0.00 0.00 175.76 177.56 3d4i h SER 483 N 2.49 0.43 -0.32 0.00 0.02 -1.94 -0.04 113.55 114.20 3d4i h SER 483 Ca -0.50 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 3d4i h SER 483 Cb 1.26 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.71 3d4i h SER 483 CO 0.62 0.28 0.00 2.29 -1.14 0.00 0.00 176.83 178.87 3d4i n LYS 484 N -4.47 1.86 -0.30 3.45 2.85 -1.26 -4.37 118.16 115.91 3d4i n LYS 484 Ca 0.08 -1.33 0.10 0.00 -1.05 0.00 0.00 58.31 56.12 3d4i n LYS 484 Cb 0.27 -1.34 0.27 0.00 -0.65 0.00 0.00 35.03 33.58 3d4i n LYS 484 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3d4i h ALA 485 N 3.85 1.38 0.00 0.58 0.00 -1.36 -2.07 119.26 121.65 3d4i h ALA 485 Ca 0.00 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3d4i h ALA 485 Cb 0.52 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 3d4i h ALA 485 CO 0.00 -0.21 -0.15 1.79 0.00 0.00 0.00 179.25 180.67 3d4i h THR 486 N 0.52 0.34 0.00 0.00 1.35 -1.81 -2.25 112.91 111.06 3d4i h THR 486 Ca 0.52 -1.05 0.00 0.00 -0.55 0.00 0.00 66.41 65.33 3d4i h THR 486 Cb 0.87 1.81 0.00 0.00 -1.73 0.00 0.00 68.15 69.10 3d4i h THR 486 CO -0.44 0.15 0.00 0.18 -0.25 0.00 0.00 175.52 175.16 3d4i n LEU 487 N -3.24 0.00 0.00 3.87 4.77 -0.78 -3.76 117.00 117.86 3d4i n LEU 487 Ca 0.01 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 3d4i n LEU 487 Cb 0.44 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 3d4i n LEU 487 CO 0.32 -0.04 0.35 1.07 -1.33 0.00 0.00 177.39 177.76 3d4i n THR 488 N -1.21 0.46 -1.76 -5.08 5.66 -0.85 -5.03 114.28 106.46 3d4i n THR 488 Ca 0.14 -0.50 -0.38 0.00 -3.05 0.00 0.00 64.05 60.25 3d4i n THR 488 Cb 0.17 0.84 0.05 0.00 -1.55 0.00 0.00 70.33 69.84 3d4i n THR 488 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 175.07 171.66 3d4i s PHE 489 N -0.46 2.19 0.32 1.09 0.08 -1.19 -4.93 117.98 115.07 3d4i s PHE 489 Ca 0.00 1.41 -0.29 0.00 0.12 0.00 0.00 56.93 58.17 3d4i s PHE 489 Cb 0.00 -3.77 -0.11 0.00 -0.57 0.00 0.00 43.02 38.57 3d4i s PHE 489 CO 0.00 -2.95 1.58 1.28 -0.10 0.00 0.00 175.22 175.03 3d4i n LEU 490 N -1.39 4.53 -4.79 -0.37 4.77 -1.26 -5.00 117.00 113.49 3d4i n LEU 490 Ca 0.13 1.17 -0.30 0.00 -0.03 0.00 0.00 56.01 56.97 3d4i n LEU 490 Cb 0.46 -1.61 0.08 0.00 -2.33 0.00 0.00 43.42 40.03 3d4i n LEU 490 CO 0.51 0.18 0.70 0.42 -1.33 0.00 0.00 177.39 177.87 3d4i s THR 491 N -0.31 3.38 0.41 -5.08 -4.23 -1.26 -4.84 115.64 103.71 3d4i s THR 491 Ca 0.61 0.45 0.08 0.00 -1.18 0.00 0.00 61.69 61.65 3d4i s THR 491 Cb -0.48 -3.12 0.28 0.00 1.34 0.00 0.00 72.50 70.52 3d4i s THR 491 CO 0.53 -0.59 2.03 -0.07 -0.54 0.00 0.00 174.62 175.98 3d4i h LEU 492 N -1.03 0.49 -0.29 4.79 3.38 -1.99 -0.78 115.31 119.87 3d4i h LEU 492 Ca -0.46 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.45 3d4i h LEU 492 Cb 1.24 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 3d4i h LEU 492 CO 0.57 0.34 -0.02 -0.33 0.09 0.00 0.00 178.44 179.08 3d4i h GLU 493 N 0.57 0.53 -0.93 1.13 5.08 -1.99 -0.39 114.58 118.58 3d4i h GLU 493 Ca 0.20 -0.18 0.01 0.00 -1.00 0.00 0.00 59.36 58.38 3d4i h GLU 493 Cb 0.08 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.25 3d4i h GLU 493 CO -0.05 0.70 0.60 0.93 -1.00 0.00 0.00 179.01 180.19 3d4i h GLU 494 N 0.32 1.24 -0.40 2.33 5.08 -1.81 0.72 114.58 122.05 3d4i h GLU 494 Ca 0.08 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 3d4i h GLU 494 Cb 0.47 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 3d4i h GLU 494 CO 0.02 0.83 0.14 -0.07 -1.00 0.00 0.00 179.01 178.93 3d4i h LEU 495 N 1.27 0.58 -0.92 1.33 3.38 -1.00 -1.61 115.31 118.33 3d4i h LEU 495 Ca 0.34 -0.19 -0.07 0.00 0.09 0.00 0.00 57.88 58.04 3d4i h LEU 495 Cb -0.12 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 3d4i h LEU 495 CO -0.07 0.62 0.02 0.11 0.09 0.00 0.00 178.44 179.21 3d4i h LYS 496 N 0.51 0.81 -0.64 1.13 1.57 -0.67 0.41 116.57 119.69 3d4i h LYS 496 Ca 0.13 -0.21 0.12 0.00 -1.87 0.00 0.00 60.65 58.82 3d4i h LYS 496 Cb 0.24 -0.10 -0.09 0.00 0.08 0.00 0.00 32.23 32.36 3d4i h LYS 496 CO -0.01 0.80 0.14 0.93 -0.57 0.00 0.00 179.45 180.75 3d4i h GLU 497 N 0.76 0.26 -0.47 3.15 5.08 -0.77 -1.50 114.58 121.09 3d4i h GLU 497 Ca 0.15 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3d4i h GLU 497 Cb 0.43 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.62 3d4i h GLU 497 CO 0.02 0.17 0.00 0.00 -1.00 0.00 0.00 179.01 178.20 3d4i n ALA 498 N -2.62 2.60 -2.24 3.43 0.00 -0.60 -4.86 120.51 116.22 3d4i n ALA 498 Ca 0.10 -0.31 -0.09 0.00 0.00 0.00 0.00 53.44 53.14 3d4i n ALA 498 Cb 0.36 -1.00 -0.00 0.00 0.00 0.00 0.00 19.45 18.80 3d4i n ALA 498 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3d4i n ASN 499 N 0.02 -3.13 -4.62 0.00 5.15 -0.56 -5.02 115.26 107.09 3d4i n ASN 499 Ca 0.05 -0.03 -0.39 0.00 -0.60 0.00 0.00 54.58 53.61 3d4i n ASN 499 Cb 0.26 -2.36 -0.08 0.00 -0.53 0.00 0.00 39.78 37.07 3d4i n ASN 499 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 3d4i s PHE 500 N -2.50 3.28 -1.49 1.20 0.08 0.04 -4.99 117.98 113.60 3d4i s PHE 500 Ca 0.02 0.49 -0.12 0.00 0.12 0.00 0.00 56.93 57.44 3d4i s PHE 500 Cb -0.01 -2.57 -0.02 0.00 -0.57 0.00 0.00 43.02 39.84 3d4i s PHE 500 CO 0.03 -0.18 2.52 -1.71 -0.10 0.00 0.00 175.22 175.78 3d4i n ASN 501 N 5.13 5.88 -4.82 1.36 5.15 -1.26 -3.71 115.26 122.99 3d4i n ASN 501 Ca -0.08 -2.71 -0.32 0.00 -0.60 0.00 0.00 54.58 50.87 3d4i n ASN 501 Cb 0.51 -1.58 -0.00 0.00 -0.53 0.00 0.00 39.78 38.17 3d4i n ASN 501 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3d4i s VAL 502 N 2.85 4.06 -0.56 3.44 1.01 -1.26 -0.81 120.40 129.13 3d4i s VAL 502 Ca 0.57 0.98 -0.22 0.00 0.00 0.00 0.00 61.98 63.31 3d4i s VAL 502 Cb 0.16 -3.50 0.06 0.00 0.00 0.00 0.00 36.38 33.09 3d4i s VAL 502 CO -0.07 -0.58 0.81 -0.62 0.00 0.00 0.00 175.10 174.64 3d4i s ASP 503 N -2.91 6.25 0.45 3.32 -1.08 0.48 -4.70 116.67 118.48 3d4i s ASP 503 Ca 0.62 -0.77 0.29 0.00 -0.52 0.00 0.00 52.55 52.17 3d4i s ASP 503 Cb -0.14 -2.37 1.07 0.00 -1.46 0.00 0.00 42.92 40.02 3d4i s ASP 503 CO 0.35 -1.13 1.85 -0.07 0.52 0.00 0.00 175.17 176.69 3d4i h LEU 504 N 10.48 0.00 0.00 -1.34 3.38 -1.95 -2.90 115.31 122.98 3d4i h LEU 504 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 3d4i h LEU 504 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 3d4i h LEU 504 CO 1.06 0.00 -0.62 0.44 0.09 0.00 0.00 178.44 179.41 3d4i h ASP 505 N 0.00 0.00 -3.49 -0.43 3.32 -2.00 -3.47 116.42 110.35 3d4i h ASP 505 Ca 0.00 -0.17 -0.53 0.00 0.02 0.00 0.00 57.03 56.35 3d4i h ASP 505 Cb 0.59 0.00 0.06 0.00 0.22 0.00 0.00 39.33 40.20 3d4i h ASP 505 CO 0.00 0.09 0.74 -0.47 -1.72 0.00 0.00 179.24 177.88 3d4i s TYR 506 N -3.19 2.99 -0.40 4.55 5.04 -1.10 -4.98 117.35 120.27 3d4i s TYR 506 Ca 0.06 1.09 -0.03 0.00 -2.44 0.00 0.00 57.07 55.75 3d4i s TYR 506 Cb 0.13 -3.81 0.10 0.00 0.35 0.00 0.00 41.96 38.72 3d4i s TYR 506 CO 0.72 -2.57 0.18 1.03 -1.34 0.00 0.00 175.55 173.58 3d4i s ARG 507 N -0.70 2.07 0.60 4.97 1.81 -1.26 -5.03 118.95 121.41 3d4i s ARG 507 Ca 0.57 -1.74 -0.19 0.00 -1.72 0.00 0.00 55.73 52.66 3d4i s ARG 507 Cb -0.42 -3.55 -0.03 0.00 -0.45 0.00 0.00 34.95 30.50 3d4i s ARG 507 CO 0.46 -1.02 1.21 -1.25 -0.68 0.00 0.00 175.30 174.02 3d4i s PRO 508 N 1.17 2.93 0.32 3.54 0.04 -1.26 -4.92 135.00 136.82 3d4i s PRO 508 Ca 0.07 1.82 0.01 0.00 0.04 0.00 0.00 61.00 62.93 3d4i s PRO 508 Cb -0.22 -1.92 0.54 0.00 0.04 0.00 0.00 34.50 32.94 3d4i s PRO 508 CO -0.04 -1.24 1.95 0.00 0.04 0.00 0.00 177.00 177.72 3d4i h ALA 509 N 0.81 1.43 -3.45 8.56 0.00 -1.93 -3.38 119.26 121.30 3d4i h ALA 509 Ca -0.50 -0.09 -0.57 0.00 0.00 0.00 0.00 54.91 53.75 3d4i h ALA 509 Cb 1.30 -0.25 -0.39 0.00 0.00 0.00 0.00 17.79 18.45 3d4i h ALA 509 CO 0.55 0.47 -0.78 -1.17 0.00 0.00 0.00 179.25 178.32 3d4i s LEU 510 N -9.63 1.89 0.60 0.00 2.96 -1.26 -4.97 118.68 108.28 3d4i s LEU 510 Ca -0.10 -0.95 -0.20 0.00 -0.22 0.00 0.00 54.13 52.66 3d4i s LEU 510 Cb 0.17 -0.92 -0.03 0.00 0.50 0.00 0.00 46.19 45.91 3d4i s LEU 510 CO 0.78 -0.25 1.33 -2.65 -1.32 0.00 0.00 176.35 174.23 3d4i n PRO 511 N 4.84 1.38 -0.34 0.98 -0.02 -1.26 -3.54 135.00 137.05 3d4i n PRO 511 Ca -0.11 0.52 0.03 0.00 -2.02 0.00 0.00 63.50 61.93 3d4i n PRO 511 Cb 0.46 -2.56 0.20 0.00 -0.02 0.00 0.00 33.50 31.58 3d4i n PRO 511 CO 0.00 0.00 0.00 0.07 1.98 0.00 0.00 175.50 177.55 3d4i h ARG 512 N 0.94 1.09 0.00 -0.52 -0.00 -1.97 0.02 114.38 113.95 3d4i h ARG 512 Ca -0.51 -0.07 0.00 0.00 -0.00 0.00 0.00 59.98 59.40 3d4i h ARG 512 Cb 1.32 -0.25 0.00 0.00 -0.00 0.00 0.00 29.97 31.05 3d4i h ARG 512 CO 0.55 0.72 0.00 0.00 -0.00 0.00 0.00 179.97 181.24 3d4i n SER 514 N -1.28 0.48 -4.69 0.00 7.64 -0.01 -4.84 113.62 110.92 3d4i n SER 514 Ca 0.10 -0.04 -0.42 0.00 1.01 0.00 0.00 58.87 59.52 3d4i n SER 514 Cb 0.17 0.11 -0.03 0.00 -1.01 0.00 0.00 64.21 63.44 3d4i n SER 514 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3d4i s LEU 515 N -3.32 4.37 -0.25 -3.43 1.43 -0.96 -4.99 118.68 111.53 3d4i s LEU 515 Ca 0.10 2.50 -0.10 0.00 -1.03 0.00 0.00 54.13 55.60 3d4i s LEU 515 Cb 0.17 -3.56 -0.05 0.00 0.03 0.00 0.00 46.19 42.78 3d4i s LEU 515 CO 0.68 -0.90 0.16 -0.04 0.23 0.00 0.00 176.35 176.48 3d4i s MET 516 N 2.75 4.00 0.54 1.70 -1.94 -1.26 -4.98 119.30 120.11 3d4i s MET 516 Ca 0.75 -0.30 0.23 0.00 -1.71 0.00 0.00 55.69 54.66 3d4i s MET 516 Cb -0.40 -3.56 1.40 0.00 2.01 0.00 0.00 34.83 34.28 3d4i s MET 516 CO 0.33 -0.04 2.05 -1.35 -0.01 0.00 0.00 175.02 176.00 3d4i h PRO 517 N 7.85 0.00 -0.65 2.03 0.11 -1.93 -1.36 132.00 138.05 3d4i h PRO 517 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3d4i h PRO 517 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3d4i h PRO 517 CO 0.61 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.40 3d4i n ALA 518 N -2.57 2.98 -1.66 -0.75 0.00 -1.26 -4.37 120.51 112.87 3d4i n ALA 518 Ca 0.05 -1.40 -0.46 0.00 0.00 0.00 0.00 53.44 51.64 3d4i n ALA 518 Cb 0.44 -1.02 -0.04 0.00 0.00 0.00 0.00 19.45 18.84 3d4i n ALA 518 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3d4i n GLU 519 N 1.06 2.02 -1.71 0.00 0.28 -0.51 -4.95 120.64 116.82 3d4i n GLU 519 Ca 0.23 0.72 -0.29 0.00 -0.16 0.00 0.00 57.16 57.67 3d4i n GLU 519 Cb 0.79 -2.43 0.13 0.00 1.43 0.00 0.00 31.44 31.36 3d4i n GLU 519 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 3d4i s SER 520 N 0.58 3.73 0.15 -1.84 1.04 -1.26 -4.55 113.70 111.55 3d4i s SER 520 Ca 0.74 0.78 -0.17 0.00 0.48 0.00 0.00 55.95 57.78 3d4i s SER 520 Cb -0.68 -1.24 0.02 0.00 0.10 0.00 0.00 66.02 64.22 3d4i s SER 520 CO 0.44 -2.39 1.76 0.22 0.98 0.00 0.00 173.24 174.24 3d4i h TYR 521 N -1.39 0.22 -0.76 5.02 3.20 -1.99 0.75 116.97 122.02 3d4i h TYR 521 Ca -0.48 0.02 0.08 0.00 3.14 0.00 0.00 58.73 61.49 3d4i h TYR 521 Cb 1.32 -0.05 -0.07 0.00 1.54 0.00 0.00 36.73 39.47 3d4i h TYR 521 CO -0.00 0.10 0.42 -0.44 -1.64 0.00 0.00 178.16 176.60 3d4i h ASP 522 N 0.26 0.60 -0.38 -2.11 3.32 -1.99 0.17 116.42 116.29 3d4i h ASP 522 Ca 0.14 0.04 -0.08 0.00 0.02 0.00 0.00 57.03 57.15 3d4i h ASP 522 Cb 0.09 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 3d4i h ASP 522 CO -0.13 0.36 -0.07 1.56 -1.72 0.00 0.00 179.24 179.24 3d4i h GLN 523 N 0.73 0.72 0.17 3.56 4.20 -1.85 -2.13 115.11 120.51 3d4i h GLN 523 Ca 0.36 -0.27 0.01 0.00 0.06 0.00 0.00 58.65 58.82 3d4i h GLN 523 Cb 0.30 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.01 3d4i h GLN 523 CO -0.23 0.86 -0.29 -0.92 -0.67 0.00 0.00 178.83 177.57 3d4i h TYR 524 N 0.53 -0.79 -0.38 2.96 3.20 -0.35 -0.53 116.97 121.60 3d4i h TYR 524 Ca 0.10 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.96 3d4i h TYR 524 Cb 0.58 0.33 -0.02 0.00 1.54 0.00 0.00 36.73 39.16 3d4i h TYR 524 CO 0.05 -0.41 0.13 -0.39 -1.64 0.00 0.00 178.16 175.91 3d4i h VAL 525 N -0.54 1.16 -0.19 1.81 -1.51 -0.98 -2.11 116.25 113.90 3d4i h VAL 525 Ca 0.02 -0.51 -0.02 0.00 -1.23 0.00 0.00 66.70 64.95 3d4i h VAL 525 Cb 0.55 0.72 -0.01 0.00 -2.13 0.00 0.00 31.29 30.42 3d4i h VAL 525 CO -0.14 0.19 0.02 -0.08 -1.23 0.00 0.00 177.57 176.33 3d4i h GLU 526 N 0.54 0.31 0.00 5.19 4.57 -1.17 -1.52 114.58 122.50 3d4i h GLU 526 Ca 0.13 -0.09 -0.05 0.00 -1.18 0.00 0.00 59.36 58.17 3d4i h GLU 526 Cb 0.14 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.69 3d4i h GLU 526 CO -0.01 0.49 -0.25 0.07 -1.18 0.00 0.00 179.01 178.13 3d4i h ARG 527 N 0.09 0.00 -0.31 1.92 -0.00 -0.78 -1.15 114.38 114.16 3d4i h ARG 527 Ca 0.05 0.00 -0.14 0.00 -0.00 0.00 0.00 59.98 59.89 3d4i h ARG 527 Cb 0.34 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 30.31 3d4i h ARG 527 CO 0.01 0.25 -0.37 0.00 -0.00 0.00 0.00 179.97 179.86 3d4i h ALA 529 N 0.71 0.28 -0.74 0.00 0.00 -0.75 -1.02 119.26 117.74 3d4i h ALA 529 Ca 0.04 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 3d4i h ALA 529 Cb 0.96 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 3d4i h ALA 529 CO 0.09 -0.28 0.26 0.28 0.00 0.00 0.00 179.25 179.60 3d4i h VAL 530 N 0.26 1.26 -0.31 0.00 2.07 -1.20 0.08 116.25 118.40 3d4i h VAL 530 Ca 0.09 -0.86 -0.05 0.00 0.82 0.00 0.00 66.70 66.71 3d4i h VAL 530 Cb 0.01 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 3d4i h VAL 530 CO -0.05 0.34 0.00 0.28 0.02 0.00 0.00 177.57 178.16 3d4i h SER 531 N 1.08 0.54 -0.85 0.57 0.02 -1.18 -1.68 113.55 112.05 3d4i h SER 531 Ca 0.24 -0.31 -0.03 0.00 -0.84 0.00 0.00 61.79 60.86 3d4i h SER 531 Cb 0.26 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.62 3d4i h SER 531 CO -0.01 0.72 0.42 0.24 -1.14 0.00 0.00 176.83 177.05 3d4i h MET 532 N 0.35 1.22 -0.44 3.45 2.86 -0.98 -0.03 114.93 121.36 3d4i h MET 532 Ca 0.09 -0.17 0.09 0.00 -2.06 0.00 0.00 59.70 57.64 3d4i h MET 532 Cb 0.44 -0.22 -0.08 0.00 0.06 0.00 0.00 31.60 31.79 3d4i h MET 532 CO 0.02 0.93 -0.10 0.78 1.06 0.00 0.00 176.91 179.59 3d4i h GLY 533 N 1.20 0.33 1.11 8.32 0.00 -0.73 -0.67 103.07 112.63 3d4i h GLY 533 Ca 0.29 0.14 -0.10 0.00 0.00 0.00 0.00 47.33 47.66 3d4i h GLY 533 CO -0.04 -0.17 -0.04 -1.61 0.00 0.00 0.00 176.54 174.68 3d4i h GLN 534 N 0.01 1.05 -0.34 4.80 4.15 -0.84 -2.70 115.11 121.24 3d4i h GLN 534 Ca 0.21 -0.36 0.01 0.00 0.77 0.00 0.00 58.65 59.29 3d4i h GLN 534 Cb 0.33 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.91 3d4i h GLN 534 CO -0.45 1.05 0.22 0.82 -1.93 0.00 0.00 178.83 178.54 3d4i h ILE 535 N 0.95 1.07 -0.72 2.39 2.04 -0.66 -1.64 117.51 120.94 3d4i h ILE 535 Ca 0.16 -0.15 -0.02 0.00 1.00 0.00 0.00 64.86 65.85 3d4i h ILE 535 Cb 0.61 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 37.24 3d4i h ILE 535 CO 0.04 0.08 0.37 0.40 0.00 0.00 0.00 178.15 179.04 3d4i h ILE 536 N 0.45 1.22 -0.05 -0.67 1.08 -1.06 -1.53 117.51 116.94 3d4i h ILE 536 Ca 0.13 -0.59 0.00 0.00 -0.39 0.00 0.00 64.86 64.01 3d4i h ILE 536 Cb -0.04 0.28 0.00 0.00 -3.07 0.00 0.00 36.82 33.99 3d4i h ILE 536 CO -0.04 0.26 0.00 0.59 -0.69 0.00 0.00 178.15 178.27 3d4i n ASN 537 N -4.35 0.46 -0.01 1.72 4.13 -1.01 -3.73 115.26 112.47 3d4i n ASN 537 Ca 0.07 -1.57 -0.11 0.00 1.68 0.00 0.00 54.58 54.65 3d4i n ASN 537 Cb 0.12 -0.03 -0.06 0.00 -1.54 0.00 0.00 39.78 38.27 3d4i n ASN 537 CO 0.00 0.00 0.00 0.74 0.28 0.00 0.00 177.26 178.28 3d4i h THR 538 N 0.59 1.06 -1.80 3.41 2.02 -0.31 -3.38 112.91 114.50 3d4i h THR 538 Ca 0.00 -0.17 -0.38 0.00 0.77 0.00 0.00 66.41 66.64 3d4i h THR 538 Cb 0.13 1.00 -0.29 0.00 -1.74 0.00 0.00 68.15 67.25 3d4i h THR 538 CO 0.00 0.06 -0.73 0.00 0.37 0.00 0.00 175.52 175.22 3d4i n PRO 540 N 3.37 0.18 0.03 0.00 -0.04 -1.24 -1.62 135.00 135.66 3d4i n PRO 540 Ca 0.20 0.15 0.11 0.00 -0.04 0.00 0.00 63.50 63.93 3d4i n PRO 540 Cb 0.49 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.50 3d4i n PRO 540 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3d4i n GLN 541 N -1.34 0.25 -1.58 0.54 3.00 -1.26 -5.00 117.38 111.98 3d4i n GLN 541 Ca 0.07 0.00 -0.46 0.00 -0.01 0.00 0.00 57.00 56.60 3d4i n GLN 541 Cb 0.15 -1.59 -0.02 0.00 0.00 0.00 0.00 30.24 28.78 3d4i n GLN 541 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 3d4i n ASP 542 N -1.90 1.20 -0.14 1.08 2.03 -0.64 -4.95 116.55 113.23 3d4i n ASP 542 Ca 0.02 1.17 0.02 0.00 0.52 0.00 0.00 54.79 56.52 3d4i n ASP 542 Cb 0.42 -1.25 0.04 0.00 -0.72 0.00 0.00 41.12 39.61 3d4i n ASP 542 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 3d4i n MET 543 N 1.06 2.85 -0.07 -0.67 2.81 -1.26 -4.48 117.12 117.36 3d4i n MET 543 Ca 0.12 -1.71 0.00 0.00 -1.81 0.00 0.00 57.70 54.30 3d4i n MET 543 Cb 0.29 -1.10 0.00 0.00 -0.71 0.00 0.00 33.22 31.70 3d4i n MET 543 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3d4i n GLY 544 N -0.39 3.49 3.74 3.03 0.00 -1.26 -4.02 105.19 109.78 3d4i n GLY 544 Ca 0.04 -2.04 -0.35 0.00 0.00 0.00 0.00 46.02 43.66 3d4i n GLY 544 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3d4i s ILE 545 N 1.65 5.35 -0.19 -0.61 1.01 0.68 -1.36 121.20 127.73 3d4i s ILE 545 Ca 0.00 0.16 -0.12 0.00 0.00 0.00 0.00 60.65 60.69 3d4i s ILE 545 Cb 0.00 -3.42 -0.05 0.00 0.01 0.00 0.00 42.46 39.00 3d4i s ILE 545 CO 0.00 0.47 0.23 -0.89 0.00 0.00 0.00 174.94 174.74 3d4i s THR 546 N 0.18 5.34 -0.00 2.92 2.01 -0.07 -1.08 115.64 124.94 3d4i s THR 546 Ca 0.08 0.39 -0.19 0.00 0.31 0.00 0.00 61.69 62.28 3d4i s THR 546 Cb -0.11 -3.57 -0.06 0.00 0.01 0.00 0.00 72.50 68.78 3d4i s THR 546 CO -0.01 0.39 0.55 -0.76 -0.69 0.00 0.00 174.62 174.10 3d4i s LEU 547 N 0.57 4.43 -0.36 4.42 1.43 0.35 -1.38 118.68 128.14 3d4i s LEU 547 Ca 0.13 1.11 0.02 0.00 -1.03 0.00 0.00 54.13 54.36 3d4i s LEU 547 Cb -0.12 -2.84 0.10 0.00 0.03 0.00 0.00 46.19 43.36 3d4i s LEU 547 CO 0.02 0.16 0.09 -0.63 0.23 0.00 0.00 176.35 176.22 3d4i s ILE 548 N -0.41 2.51 -0.39 -0.59 -1.09 -0.27 -0.82 121.20 120.14 3d4i s ILE 548 Ca 0.29 -2.31 -0.14 0.00 -2.23 0.00 0.00 60.65 56.26 3d4i s ILE 548 Cb -0.18 -2.82 0.01 0.00 -1.58 0.00 0.00 42.46 37.89 3d4i s ILE 548 CO 0.16 -0.63 0.28 -0.69 -1.23 0.00 0.00 174.94 172.83 3d4i s VAL 549 N 0.92 5.22 0.00 2.92 1.01 0.04 -0.93 120.40 129.58 3d4i s VAL 549 Ca 0.11 -0.55 0.00 0.00 0.00 0.00 0.00 61.98 61.53 3d4i s VAL 549 Cb -0.20 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.34 3d4i s VAL 549 CO -0.07 -0.22 0.00 -0.24 0.00 0.00 0.00 175.10 174.57 3d4i n SER 550 N 5.13 0.74 -4.82 3.32 2.88 0.04 -1.69 113.62 119.23 3d4i n SER 550 Ca -0.12 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.21 3d4i n SER 550 Cb 0.48 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.89 3d4i n SER 550 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 3d4i s HIS 551 N -0.03 2.79 0.24 0.66 3.76 -1.26 -1.58 115.29 119.87 3d4i s HIS 551 Ca 0.00 -0.39 -0.04 0.00 -0.15 0.00 0.00 55.06 54.48 3d4i s HIS 551 Cb 0.00 -1.85 0.40 0.00 1.11 0.00 0.00 32.58 32.23 3d4i s HIS 551 CO 0.00 0.15 1.81 0.77 -0.85 0.00 0.00 174.74 176.62 3d4i h SER 552 N 1.29 0.67 -0.95 1.40 0.02 -1.94 -1.49 113.55 112.55 3d4i h SER 552 Ca -0.44 0.05 0.19 0.00 -0.84 0.00 0.00 61.79 60.76 3d4i h SER 552 Cb 1.26 -0.08 -0.08 0.00 0.14 0.00 0.00 62.40 63.63 3d4i h SER 552 CO 0.60 0.38 0.61 0.77 -1.14 0.00 0.00 176.83 178.05 3d4i h SER 553 N 0.79 0.60 0.41 3.07 4.64 -1.96 -2.42 113.55 118.68 3d4i h SER 553 Ca 0.40 0.06 -0.04 0.00 -0.47 0.00 0.00 61.79 61.74 3d4i h SER 553 Cb 0.37 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.40 3d4i h SER 553 CO -0.25 0.23 -0.18 0.00 -0.87 0.00 0.00 176.83 175.76 3d4i h ALA 554 N 1.62 1.31 0.00 5.18 0.00 -1.63 -1.35 119.26 124.38 3d4i h ALA 554 Ca 0.52 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 3d4i h ALA 554 Cb 1.02 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 3d4i h ALA 554 CO -0.26 0.23 -0.04 -0.07 0.00 0.00 0.00 179.25 179.11 3d4i h LEU 555 N 0.00 0.00 0.00 0.00 4.07 -1.52 -0.24 115.31 117.62 3d4i h LEU 555 Ca -0.00 0.00 -0.15 0.00 0.08 0.00 0.00 57.88 57.80 3d4i h LEU 555 Cb 0.44 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.16 3d4i h LEU 555 CO 0.02 0.04 -1.21 -0.67 -1.08 0.00 0.00 178.44 175.53 3d4i n ASP 556 N -3.89 1.88 0.24 -0.43 2.03 -0.93 -4.32 116.55 111.13 3d4i n ASP 556 Ca -0.03 0.46 0.12 0.00 0.52 0.00 0.00 54.79 55.86 3d4i n ASP 556 Cb 0.12 -0.86 0.57 0.00 -0.72 0.00 0.00 41.12 40.23 3d4i n ASP 556 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 3d4i h SER 557 N -1.00 0.00 0.09 1.67 4.64 -1.21 -1.58 113.55 116.16 3d4i h SER 557 Ca -0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 3d4i h SER 557 Cb 1.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 3d4i h SER 557 CO -0.14 0.16 -0.32 0.00 -0.87 0.00 0.00 176.83 175.66 3d4i n THR 559 N -0.17 0.66 -0.24 0.00 -2.24 -1.03 -4.53 114.28 106.74 3d4i n THR 559 Ca 0.11 -0.24 0.04 0.00 -2.27 0.00 0.00 64.05 61.70 3d4i n THR 559 Cb 0.42 -1.07 0.15 0.00 -2.10 0.00 0.00 70.33 67.73 3d4i n THR 559 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 3d4i h ARG 560 N -0.10 0.19 -0.58 -0.78 3.08 -1.52 -0.73 114.38 113.94 3d4i h ARG 560 Ca -0.27 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.77 3d4i h ARG 560 Cb 1.37 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 31.35 3d4i h ARG 560 CO -0.07 0.12 0.37 -1.35 -1.07 0.00 0.00 179.97 177.97 3d4i h PRO 561 N 0.19 0.76 -0.51 0.04 0.11 -1.78 -0.49 132.00 130.32 3d4i h PRO 561 Ca 0.39 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 66.33 3d4i h PRO 561 Cb 0.66 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.58 3d4i h PRO 561 CO -0.54 0.52 -0.13 -0.07 -0.21 0.00 0.00 178.00 177.57 3d4i h LEU 562 N 0.78 0.97 0.00 2.35 3.38 -1.41 -2.82 115.31 118.56 3d4i h LEU 562 Ca 0.21 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.86 3d4i h LEU 562 Cb -0.07 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.42 3d4i h LEU 562 CO -0.04 1.09 0.00 0.18 0.09 0.00 0.00 178.44 179.76 3d4i n LEU 563 N -4.14 0.00 -0.84 1.67 4.77 -0.60 -4.16 117.00 113.69 3d4i n LEU 563 Ca 0.01 0.30 -0.08 0.00 -0.03 0.00 0.00 56.01 56.22 3d4i n LEU 563 Cb 0.40 -0.30 -0.01 0.00 -2.33 0.00 0.00 43.42 41.19 3d4i n LEU 563 CO 0.45 -0.01 -0.10 0.61 -1.33 0.00 0.00 177.39 177.01 3d4i n GLY 564 N 1.21 0.12 3.89 -0.72 0.00 -0.61 -4.91 105.19 104.18 3d4i n GLY 564 Ca 0.13 -0.58 -0.31 0.00 0.00 0.00 0.00 46.02 45.26 3d4i n GLY 564 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3d4i s LEU 565 N -2.14 4.27 0.69 0.99 1.43 -0.29 -5.03 118.68 118.59 3d4i s LEU 565 Ca 0.00 0.24 -0.11 0.00 -1.03 0.00 0.00 54.13 53.23 3d4i s LEU 565 Cb 0.00 -2.80 0.01 0.00 0.03 0.00 0.00 46.19 43.42 3d4i s LEU 565 CO 0.00 0.19 1.06 -2.16 0.23 0.00 0.00 176.35 175.67 3d4i s PRO 566 N -2.36 2.94 0.43 1.29 0.04 -1.26 -4.36 135.00 131.72 3d4i s PRO 566 Ca 0.32 0.98 -0.25 0.00 0.04 0.00 0.00 61.00 62.09 3d4i s PRO 566 Cb -0.13 -1.99 -0.10 0.00 0.04 0.00 0.00 34.50 32.33 3d4i s PRO 566 CO 0.25 -1.09 1.22 -2.30 0.04 0.00 0.00 177.00 175.12 3d4i n PRO 567 N -3.07 1.81 -1.83 0.56 -0.02 -1.26 -4.97 135.00 126.22 3d4i n PRO 567 Ca 0.08 0.64 -0.35 0.00 -2.02 0.00 0.00 63.50 61.85 3d4i n PRO 567 Cb 0.53 -2.32 0.05 0.00 -0.02 0.00 0.00 33.50 31.74 3d4i n PRO 567 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3d4i s ARG 568 N -2.20 2.76 0.39 -0.52 0.52 -1.26 -4.98 118.95 113.66 3d4i s ARG 568 Ca 0.62 1.66 -0.26 0.00 -0.52 0.00 0.00 55.73 57.23 3d4i s ARG 568 Cb -0.51 -1.92 -0.11 0.00 0.52 0.00 0.00 34.95 32.93 3d4i s ARG 568 CO 0.57 -1.33 1.19 -1.91 0.02 0.00 0.00 175.30 173.84 3d4i n GLU 569 N -2.07 1.79 -0.26 3.54 0.00 -1.26 -4.74 120.64 117.65 3d4i n GLU 569 Ca 0.12 0.64 0.04 0.00 0.00 0.00 0.00 57.16 57.96 3d4i n GLU 569 Cb 0.51 -2.24 0.17 0.00 0.00 0.00 0.00 31.44 29.88 3d4i n GLU 569 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3d4i h GLY 571 N 0.56 1.06 0.99 0.00 0.00 -1.99 -0.05 103.07 103.63 3d4i h GLY 571 Ca 0.39 -0.70 -0.01 0.00 0.00 0.00 0.00 47.33 47.01 3d4i h GLY 571 CO -0.33 0.65 0.30 -1.80 0.00 0.00 0.00 176.54 175.36 3d4i h ASP 572 N 0.89 0.69 0.04 0.19 3.58 -1.74 -2.00 116.42 118.07 3d4i h ASP 572 Ca 0.18 -0.10 -0.00 0.00 0.42 0.00 0.00 57.03 57.53 3d4i h ASP 572 Cb 0.42 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.29 3d4i h ASP 572 CO 0.01 0.59 -0.02 0.15 -2.88 0.00 0.00 179.24 177.09 3d4i h PHE 573 N 0.74 -0.05 -0.92 0.28 3.57 -0.65 -1.91 116.94 118.00 3d4i h PHE 573 Ca 0.19 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.70 3d4i h PHE 573 Cb 0.05 0.02 -0.05 0.00 2.79 0.00 0.00 35.95 38.76 3d4i h PHE 573 CO -0.01 0.02 0.61 0.00 -2.23 0.00 0.00 178.31 176.70 3d4i h ALA 574 N 0.85 1.17 -0.75 2.41 0.00 -0.90 -1.01 119.26 121.03 3d4i h ALA 574 Ca -0.01 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 3d4i h ALA 574 Cb 0.09 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 3d4i h ALA 574 CO 0.01 0.57 0.25 1.96 0.00 0.00 0.00 179.25 182.04 3d4i h GLN 575 N 1.25 1.16 -0.30 0.00 4.20 -1.31 -2.66 115.11 117.45 3d4i h GLN 575 Ca 0.34 -0.24 -0.06 0.00 0.06 0.00 0.00 58.65 58.74 3d4i h GLN 575 Cb -0.14 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.46 3d4i h GLN 575 CO -0.07 0.97 -0.06 1.25 -0.67 0.00 0.00 178.83 180.25 3d4i h LEU 576 N 1.11 0.57 0.00 1.46 5.85 -0.47 -3.28 115.31 120.55 3d4i h LEU 576 Ca 0.24 -0.36 -0.07 0.00 0.84 0.00 0.00 57.88 58.54 3d4i h LEU 576 Cb 0.29 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 3d4i h LEU 576 CO -0.01 0.79 -0.55 -0.37 -0.34 0.00 0.00 178.44 177.96 3d4i h VAL 577 N 0.34 0.47 -1.09 1.05 -1.51 -1.20 -2.87 116.25 111.44 3d4i h VAL 577 Ca 0.08 -1.71 0.30 0.00 -1.23 0.00 0.00 66.70 64.14 3d4i h VAL 577 Cb 0.54 2.14 -0.10 0.00 -2.13 0.00 0.00 31.29 31.74 3d4i h VAL 577 CO 0.03 0.27 0.70 -0.09 -1.23 0.00 0.00 177.57 177.24 3d4i h ARG 578 N 0.00 0.32 -0.00 5.19 2.43 -1.53 -2.96 114.38 117.84 3d4i h ARG 578 Ca -0.02 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3d4i h ARG 578 Cb 1.26 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 3d4i h ARG 578 CO 0.04 0.21 -0.11 1.63 -1.51 0.00 0.00 179.97 180.23 3d4i n LYS 579 N -4.65 0.09 -2.75 0.20 5.02 -1.08 -4.89 118.16 110.09 3d4i n LYS 579 Ca 0.28 -0.02 -0.42 0.00 -2.02 0.00 0.00 58.31 56.13 3d4i n LYS 579 Cb 0.98 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 34.46 3d4i n LYS 579 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3d4i s ILE 580 N -2.92 4.83 0.80 -0.18 1.01 -1.12 -5.04 121.20 118.57 3d4i s ILE 580 Ca 0.16 1.93 -0.11 0.00 0.00 0.00 0.00 60.65 62.62 3d4i s ILE 580 Cb 0.19 -4.26 0.08 0.00 0.01 0.00 0.00 42.46 38.47 3d4i s ILE 580 CO 0.55 0.04 1.16 -2.16 0.00 0.00 0.00 174.94 174.54 3d4i s PRO 581 N 1.83 1.97 0.37 2.79 0.04 -1.26 -4.92 135.00 135.82 3d4i s PRO 581 Ca 0.46 0.05 -0.28 0.00 0.04 0.00 0.00 61.00 61.27 3d4i s PRO 581 Cb -0.18 -1.98 -0.11 0.00 0.04 0.00 0.00 34.50 32.26 3d4i s PRO 581 CO 0.18 -1.56 1.43 0.43 0.04 0.00 0.00 177.00 177.52 3d4i n SER 582 N -3.27 3.49 -1.17 6.66 7.64 -1.26 -0.90 113.62 124.81 3d4i n SER 582 Ca 0.08 1.22 -0.14 0.00 1.01 0.00 0.00 58.87 61.04 3d4i n SER 582 Cb 0.61 -1.58 -0.06 0.00 -1.01 0.00 0.00 64.21 62.17 3d4i n SER 582 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3d4i n LEU 583 N 0.53 -0.82 -4.76 -3.43 7.99 -0.82 -4.90 117.00 110.79 3d4i n LEU 583 Ca 0.02 0.35 -0.39 0.00 -0.01 0.00 0.00 56.01 55.98 3d4i n LEU 583 Cb 0.38 -2.52 0.03 0.00 -0.11 0.00 0.00 43.42 41.20 3d4i n LEU 583 CO 0.63 -0.95 1.01 -0.83 -1.51 0.00 0.00 177.39 175.74 3d4i s GLY 584 N -2.38 2.90 0.05 -0.72 0.00 -0.08 -4.61 107.32 102.49 3d4i s GLY 584 Ca 0.00 1.36 0.05 0.00 0.00 0.00 0.00 44.72 46.12 3d4i s GLY 584 CO 0.00 1.91 -0.13 1.06 0.00 0.00 0.00 173.10 175.94 3d4i s MET 585 N -2.67 0.80 -0.07 2.90 -1.94 -1.26 -1.20 119.30 115.86 3d4i s MET 585 Ca 0.66 -0.84 0.02 0.00 -1.71 0.00 0.00 55.69 53.82 3d4i s MET 585 Cb -0.41 -0.77 0.01 0.00 2.01 0.00 0.00 34.83 35.67 3d4i s MET 585 CO 0.50 0.18 -0.14 0.00 -0.01 0.00 0.00 175.02 175.55 3d4i s PHE 587 N 0.63 2.51 -0.03 0.00 5.36 -1.26 -0.87 117.98 124.32 3d4i s PHE 587 Ca -0.15 -1.11 0.08 0.00 -0.96 0.00 0.00 56.93 54.79 3d4i s PHE 587 Cb -0.16 -1.69 -0.02 0.00 -0.34 0.00 0.00 43.02 40.81 3d4i s PHE 587 CO 0.04 -0.47 -0.25 0.00 -1.46 0.00 0.00 175.22 173.07 3d4i s GLU 589 N -0.52 1.85 -0.18 0.00 2.02 0.11 -0.79 118.70 121.19 3d4i s GLU 589 Ca 0.07 -1.09 -0.14 0.00 0.02 0.00 0.00 54.97 53.83 3d4i s GLU 589 Cb -0.11 -2.04 -0.04 0.00 0.10 0.00 0.00 34.13 32.04 3d4i s GLU 589 CO -0.00 0.51 0.31 -2.00 0.02 0.00 0.00 175.26 174.10 3d4i s GLU 590 N -1.38 4.22 -0.32 1.61 2.12 -0.23 -0.89 118.70 123.83 3d4i s GLU 590 Ca 0.13 0.09 -0.29 0.00 0.36 0.00 0.00 54.97 55.26 3d4i s GLU 590 Cb -0.10 -3.46 0.01 0.00 0.26 0.00 0.00 34.13 30.83 3d4i s GLU 590 CO 0.03 0.15 1.17 1.21 -0.54 0.00 0.00 175.26 177.29 3d4i s ASN 591 N 0.68 6.80 0.49 -1.70 3.84 0.49 -4.13 114.94 121.41 3d4i s ASN 591 Ca 0.16 1.07 0.27 0.00 0.21 0.00 0.00 52.86 54.57 3d4i s ASN 591 Cb -0.13 -2.54 1.19 0.00 -0.55 0.00 0.00 41.25 39.21 3d4i s ASN 591 CO 0.05 -0.99 1.94 -0.09 -2.79 0.00 0.00 177.10 175.22 3d4i h ARG 592 N 8.66 0.00 -0.32 0.43 9.65 -1.93 0.40 114.38 131.27 3d4i h ARG 592 Ca -0.23 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.64 3d4i h ARG 592 Cb 1.08 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.64 3d4i h ARG 592 CO 1.04 0.16 0.15 0.93 2.80 0.00 0.00 179.97 185.06 3d4i h GLU 593 N 0.00 0.47 -0.00 0.20 5.08 -1.96 -3.36 114.58 115.00 3d4i h GLU 593 Ca -0.00 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3d4i h GLU 593 Cb 0.56 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.73 3d4i h GLU 593 CO 0.02 0.43 -0.16 -0.40 -1.00 0.00 0.00 179.01 177.91 3d4i n ASP 594 N -4.76 0.38 -0.03 1.42 5.68 -1.15 -5.01 116.55 113.09 3d4i n ASP 594 Ca -0.01 -0.69 -0.00 0.00 -0.50 0.00 0.00 54.79 53.58 3d4i n ASP 594 Cb 0.11 0.84 -0.00 0.00 -1.14 0.00 0.00 41.12 40.93 3d4i n ASP 594 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3d4i n GLY 595 N 0.96 0.43 3.82 6.12 0.00 0.14 -5.01 105.19 111.65 3d4i n GLY 595 Ca 0.01 -0.09 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 3d4i n GLY 595 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3d4i s LYS 596 N -0.62 4.26 0.00 1.61 2.20 -1.22 -4.84 119.74 121.14 3d4i s LYS 596 Ca 0.00 0.96 0.04 0.00 -0.36 0.00 0.00 55.97 56.61 3d4i s LYS 596 Cb 0.00 -2.64 -0.03 0.00 -1.51 0.00 0.00 37.83 33.64 3d4i s LYS 596 CO 0.00 0.25 -0.08 -1.58 -0.36 0.00 0.00 175.35 173.57 3d4i s TRP 597 N -1.76 2.84 0.04 4.03 0.52 -1.26 -0.38 118.94 122.98 3d4i s TRP 597 Ca 0.50 -0.07 0.06 0.00 0.02 0.00 0.00 56.10 56.61 3d4i s TRP 597 Cb -0.14 -1.60 -0.02 0.00 -1.15 0.00 0.00 33.47 30.56 3d4i s TRP 597 CO 0.19 0.35 -0.17 -0.51 0.02 0.00 0.00 176.95 176.83 3d4i s ASP 598 N -1.38 2.04 0.21 2.95 1.01 -0.07 -4.63 116.67 116.81 3d4i s ASP 598 Ca 0.16 -0.47 -0.30 0.00 0.71 0.00 0.00 52.55 52.65 3d4i s ASP 598 Cb -0.11 -0.16 -0.09 0.00 1.01 0.00 0.00 42.92 43.57 3d4i s ASP 598 CO 0.07 0.10 1.37 -0.76 0.21 0.00 0.00 175.17 176.16 3d4i s LEU 599 N -1.10 4.40 0.05 1.23 1.43 -1.26 -0.71 118.68 122.72 3d4i s LEU 599 Ca 0.05 2.51 0.02 0.00 -1.03 0.00 0.00 54.13 55.68 3d4i s LEU 599 Cb -0.08 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.50 3d4i s LEU 599 CO 0.01 -0.61 -0.08 -0.69 0.23 0.00 0.00 176.35 175.21 3d4i s VAL 600 N 0.15 0.57 0.15 -1.59 1.01 -0.12 -4.93 120.40 115.65 3d4i s VAL 600 Ca 0.59 -1.26 -0.34 0.00 0.00 0.00 0.00 61.98 60.96 3d4i s VAL 600 Cb -0.39 -0.84 -0.14 0.00 0.00 0.00 0.00 36.38 35.01 3d4i s VAL 600 CO 0.40 -0.49 1.56 0.59 0.00 0.00 0.00 175.10 177.16 3d4i n ASN 601 N 1.14 2.98 -4.60 3.32 3.02 -1.26 -4.11 115.26 115.76 3d4i n ASN 601 Ca -0.21 1.09 -0.38 0.00 -0.03 0.00 0.00 54.58 55.05 3d4i n ASN 601 Cb 0.56 -1.41 0.05 0.00 -0.61 0.00 0.00 39.78 38.37 3d4i n ASN 601 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 3d4i n PRO 602 N 3.36 0.81 0.00 3.52 -0.02 -1.26 -4.88 135.00 136.54 3d4i n PRO 602 Ca 0.17 0.32 0.08 0.00 -2.02 0.00 0.00 63.50 62.05 3d4i n PRO 602 Cb 0.28 -2.13 0.36 0.00 -0.02 0.00 0.00 33.50 32.00 3d4i n PRO 602 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3d4i n PRO 603 N -1.01 0.12 -4.16 0.52 -0.04 -1.26 -4.73 135.00 124.43 3d4i n PRO 603 Ca 0.14 0.19 -0.13 0.00 -0.04 0.00 0.00 63.50 63.66 3d4i n PRO 603 Cb 0.48 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.33 3d4i n PRO 603 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3d4i s VAL 604 N -2.77 0.82 0.86 0.52 -7.23 -1.26 -4.87 120.40 106.46 3d4i s VAL 604 Ca 0.11 -1.71 -0.12 0.00 -1.81 0.00 0.00 61.98 58.46 3d4i s VAL 604 Cb 0.10 -1.42 0.10 0.00 0.56 0.00 0.00 36.38 35.73 3d4i s VAL 604 CO 0.26 -0.67 1.11 -0.54 -0.31 0.00 0.00 175.10 174.95 3d4i s LYS 605 N -3.09 1.60 1.04 4.82 -0.14 -1.26 -5.06 119.74 117.65 3d4i s LYS 605 Ca 0.07 0.51 -0.12 0.00 -1.36 0.00 0.00 55.97 55.06 3d4i s LYS 605 Cb -0.00 -1.87 0.21 0.00 -1.68 0.00 0.00 37.83 34.49 3d4i s LYS 605 CO -0.02 -1.93 1.07 0.95 -0.76 0.00 0.00 175.35 174.66 3d4i s THR 606 N -3.18 2.17 -0.17 2.17 -4.23 -1.26 -5.07 115.64 106.07 3d4i s THR 606 Ca 0.62 0.05 0.00 0.00 -1.18 0.00 0.00 61.69 61.19 3d4i s THR 606 Cb -0.15 -2.31 0.04 0.00 1.34 0.00 0.00 72.50 71.42 3d4i s THR 606 CO 0.54 -0.07 -0.08 -0.22 -0.54 0.00 0.00 174.62 174.25 3d4i s LEU 607 N -6.76 1.83 -0.15 4.79 2.96 -1.26 -5.11 118.68 114.97 3d4i s LEU 607 Ca 0.66 -0.70 0.02 0.00 -0.22 0.00 0.00 54.13 53.89 3d4i s LEU 607 Cb -0.22 -1.05 0.01 0.00 0.50 0.00 0.00 46.19 45.43 3d4i s LEU 607 CO 0.61 -0.15 -0.20 -0.89 -1.32 0.00 0.00 176.35 174.39 3d4i s THR 608 N 1.54 2.19 0.18 3.68 2.01 -1.26 -4.99 115.64 118.98 3d4i s THR 608 Ca 0.01 -0.92 -0.07 0.00 0.31 0.00 0.00 61.69 61.02 3d4i s THR 608 Cb -0.15 -1.90 -0.02 0.00 0.01 0.00 0.00 72.50 70.44 3d4i s THR 608 CO -0.08 0.54 0.25 -1.38 -0.69 0.00 0.00 174.62 173.26 3d4i s HIS 609 N 0.95 0.62 0.68 4.92 -3.43 -1.26 -5.18 115.29 112.58 3d4i s HIS 609 Ca -0.03 -0.95 -0.04 0.00 -0.80 0.00 0.00 55.06 53.23 3d4i s HIS 609 Cb -0.15 -0.18 0.07 0.00 -1.43 0.00 0.00 32.58 30.89 3d4i s HIS 609 CO -0.04 -0.72 0.96 0.20 -2.00 0.00 0.00 174.74 173.13 3d4i s GLY 610 N -3.03 1.74 0.89 -1.38 0.00 -1.26 -5.10 107.32 99.18 3d4i s GLY 610 Ca 0.24 -1.13 -0.13 0.00 0.00 0.00 0.00 44.72 43.69 3d4i s GLY 610 CO 0.04 -0.73 1.19 0.00 0.00 0.00 0.00 173.10 173.60 3d4i s ALA 611 N -3.13 2.15 -0.09 3.20 0.00 -1.26 -5.09 121.76 117.54 3d4i s ALA 611 Ca 0.61 -0.72 -0.01 0.00 0.00 0.00 0.00 51.96 51.84 3d4i s ALA 611 Cb -0.10 -2.95 0.03 0.00 0.00 0.00 0.00 23.12 20.10 3d4i s ALA 611 CO 0.43 -2.14 -0.04 1.21 0.00 0.00 0.00 175.76 175.22 3d4i s ASN 612 N -4.41 1.84 0.54 0.00 3.04 -1.26 -5.14 114.94 109.54 3d4i s ASN 612 Ca 0.65 -0.20 -0.17 0.00 0.04 0.00 0.00 52.86 53.18 3d4i s ASN 612 Cb -0.11 -0.65 -0.06 0.00 -1.54 0.00 0.00 41.25 38.89 3d4i s ASN 612 CO 0.52 -0.14 1.03 -0.94 -3.04 0.00 0.00 177.10 174.52 3d4i s SER 613 N 1.73 6.20 0.55 -4.21 1.04 -1.26 -5.02 113.70 112.73 3d4i s SER 613 Ca 0.03 1.78 -0.21 0.00 0.48 0.00 0.00 55.95 58.03 3d4i s SER 613 Cb -0.13 -2.53 -0.05 0.00 0.10 0.00 0.00 66.02 63.41 3d4i s SER 613 CO -0.06 -0.88 1.33 0.54 0.98 0.00 0.00 173.24 175.15 3d4i s VAL 614 N -2.36 2.18 -0.21 5.02 0.11 -1.26 -5.04 120.40 118.84 3d4i s VAL 614 Ca 0.63 0.13 -0.12 0.00 -2.93 0.00 0.00 61.98 59.70 3d4i s VAL 614 Cb -0.14 -3.07 0.07 0.00 -1.53 0.00 0.00 36.38 31.71 3d4i s VAL 614 CO 0.30 -0.01 0.52 0.12 -3.33 0.00 0.00 175.10 172.70 3d4i s PHE 615 N -1.35 -0.80 -0.22 1.54 5.36 -1.26 -5.12 117.98 116.14 3d4i s PHE 615 Ca 0.72 1.63 -0.04 0.00 -0.96 0.00 0.00 56.93 58.28 3d4i s PHE 615 Cb -0.39 0.42 0.08 0.00 -0.34 0.00 0.00 43.02 42.79 3d4i s PHE 615 CO 0.45 -0.42 0.10 1.21 -1.46 0.00 0.00 175.22 175.10 3d4i s ASN 616 N 1.55 2.89 0.12 6.13 3.84 -1.26 -5.05 114.94 123.16 3d4i s ASN 616 Ca -0.09 -0.92 -0.21 0.00 0.21 0.00 0.00 52.86 51.85 3d4i s ASN 616 Cb -0.07 -0.33 -0.04 0.00 -0.55 0.00 0.00 41.25 40.26 3d4i s ASN 616 CO -0.16 -0.38 1.70 -0.25 -2.79 0.00 0.00 177.10 175.22 3d4i h TRP 617 N 8.39 -0.15 -0.52 0.43 -0.00 -1.99 0.50 115.95 122.61 3d4i h TRP 617 Ca -0.17 0.02 0.06 0.00 -0.00 0.00 0.00 58.89 58.80 3d4i h TRP 617 Cb 1.09 0.09 -0.05 0.00 -0.00 0.00 0.00 29.16 30.29 3d4i h TRP 617 CO 0.22 -0.11 0.21 0.00 -0.00 0.00 0.00 178.44 178.77 3d4i h ARG 618 N -0.05 0.40 -0.46 2.65 3.08 -1.98 0.04 114.38 118.06 3d4i h ARG 618 Ca 0.08 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.09 3d4i h ARG 618 Cb 0.17 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 3d4i h ARG 618 CO -0.18 0.27 0.23 -0.97 -1.07 0.00 0.00 179.97 178.24 3d4i h ASN 619 N 0.41 0.60 -0.68 7.04 -1.24 -1.87 -3.15 115.58 116.69 3d4i h ASN 619 Ca 0.24 -0.12 0.01 0.00 0.71 0.00 0.00 56.30 57.14 3d4i h ASN 619 Cb 0.23 -0.15 -0.03 0.00 0.73 0.00 0.00 38.32 39.09 3d4i h ASN 619 CO -0.22 0.55 0.45 -0.25 -1.29 0.00 0.00 177.43 176.67 3d4i h TRP 620 N 0.61 0.87 -0.03 0.67 2.91 0.72 -2.32 115.95 119.38 3d4i h TRP 620 Ca 0.16 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.20 3d4i h TRP 620 Cb 0.10 -0.29 0.00 0.00 -0.51 0.00 0.00 29.16 28.46 3d4i h TRP 620 CO -0.01 0.55 0.00 0.44 -1.03 0.00 0.00 178.44 178.39 3d4i n ILE 621 N -4.60 0.03 1.15 2.65 -5.35 -0.07 -5.07 119.36 108.10 3d4i n ILE 621 Ca 0.06 -0.09 0.13 0.00 -0.27 0.00 0.00 62.75 62.58 3d4i n ILE 621 Cb 0.02 -0.15 0.23 0.00 -1.74 0.00 0.00 39.64 38.00 3d4i n ILE 621 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59