#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d4i s ARG 358 N 0.00 4.15 0.37 4.33 0.52 -1.26 -5.00 118.95 122.06 3d4i s ARG 358 Ca 0.00 0.79 -0.28 0.00 -0.52 0.00 0.00 55.73 55.73 3d4i s ARG 358 Cb 0.00 -2.69 -0.10 0.00 0.52 0.00 0.00 34.95 32.68 3d4i s ARG 358 CO 0.00 0.29 1.37 0.50 0.02 0.00 0.00 175.30 177.49 3d4i s ARG 359 N -2.40 4.14 0.04 3.54 3.52 -1.26 -4.82 118.95 121.70 3d4i s ARG 359 Ca 0.48 2.34 0.01 0.00 -0.13 0.00 0.00 55.73 58.43 3d4i s ARG 359 Cb -0.14 -2.94 -0.02 0.00 -1.56 0.00 0.00 34.95 30.29 3d4i s ARG 359 CO 0.19 -0.42 -0.06 0.20 -0.81 0.00 0.00 175.30 174.41 3d4i s GLY 360 N -0.43 0.42 -0.18 8.12 0.00 -0.91 -0.84 107.32 113.51 3d4i s GLY 360 Ca 0.53 -0.76 0.01 0.00 0.00 0.00 0.00 44.72 44.49 3d4i s GLY 360 CO 0.56 -0.83 -0.14 -0.42 0.00 0.00 0.00 173.10 172.27 3d4i s ILE 361 N -1.70 1.71 -0.30 0.90 -1.09 0.42 -0.62 121.20 120.51 3d4i s ILE 361 Ca -0.10 -0.86 -0.02 0.00 -2.23 0.00 0.00 60.65 57.44 3d4i s ILE 361 Cb -0.08 -1.67 0.05 0.00 -1.58 0.00 0.00 42.46 39.18 3d4i s ILE 361 CO -0.01 0.35 0.00 -0.22 -1.23 0.00 0.00 174.94 173.83 3d4i s LEU 362 N 1.40 3.88 -0.14 2.97 2.96 -0.14 -1.07 118.68 128.54 3d4i s LEU 362 Ca 0.02 -1.25 -0.17 0.00 -0.22 0.00 0.00 54.13 52.51 3d4i s LEU 362 Cb -0.14 -1.72 -0.04 0.00 0.50 0.00 0.00 46.19 44.79 3d4i s LEU 362 CO -0.10 -0.26 0.42 -0.69 -1.32 0.00 0.00 176.35 174.40 3d4i s VAL 363 N 1.26 5.23 -0.08 1.68 1.01 0.65 -0.98 120.40 129.16 3d4i s VAL 363 Ca -0.05 0.81 0.00 0.00 0.00 0.00 0.00 61.98 62.75 3d4i s VAL 363 Cb -0.20 -3.75 0.02 0.00 0.00 0.00 0.00 36.38 32.45 3d4i s VAL 363 CO -0.01 0.34 -0.07 -0.63 0.00 0.00 0.00 175.10 174.73 3d4i s ILE 364 N 0.63 0.88 0.34 2.22 1.01 0.12 -1.29 121.20 125.10 3d4i s ILE 364 Ca 0.23 -0.25 -0.27 0.00 0.00 0.00 0.00 60.65 60.35 3d4i s ILE 364 Cb -0.14 -0.89 -0.09 0.00 0.01 0.00 0.00 42.46 41.34 3d4i s ILE 364 CO 0.08 0.33 1.13 -0.60 0.00 0.00 0.00 174.94 175.88 3d4i s ARG 365 N 1.35 4.38 0.98 2.79 3.52 -0.51 -1.07 118.95 130.39 3d4i s ARG 365 Ca -0.03 1.81 -0.12 0.00 -0.13 0.00 0.00 55.73 57.27 3d4i s ARG 365 Cb -0.14 -2.94 0.14 0.00 -1.56 0.00 0.00 34.95 30.45 3d4i s ARG 365 CO -0.03 -0.02 0.85 -2.39 -0.81 0.00 0.00 175.30 172.89 3d4i n HIS 366 N 0.66 -0.25 -1.40 5.12 1.44 -0.66 -1.98 115.22 118.15 3d4i n HIS 366 Ca 0.01 0.25 -0.29 0.00 -2.01 0.00 0.00 57.72 55.69 3d4i n HIS 366 Cb 0.46 -1.87 0.22 0.00 0.12 0.00 0.00 29.99 28.92 3d4i n HIS 366 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3d4i n GLY 367 N 0.84 -2.22 3.68 -1.39 0.00 -1.26 -3.12 105.19 101.72 3d4i n GLY 367 Ca 0.08 -1.59 -0.45 0.00 0.00 0.00 0.00 46.02 44.07 3d4i n GLY 367 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3d4i n GLU 368 N -4.30 2.33 -3.45 1.61 2.13 -1.26 -4.92 120.64 112.78 3d4i n GLU 368 Ca 0.15 0.84 -0.37 0.00 0.66 0.00 0.00 57.16 58.45 3d4i n GLU 368 Cb 0.57 -2.64 -0.06 0.00 0.27 0.00 0.00 31.44 29.58 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 1.26 3.94 0.28 5.31 1.70 -1.26 -1.67 118.95 128.51 3d4i s ARG 369 Ca 0.79 0.43 0.02 0.00 -0.47 0.00 0.00 55.73 56.50 3d4i s ARG 369 Cb -0.63 -3.11 0.61 0.00 -0.57 0.00 0.00 34.95 31.25 3d4i s ARG 369 CO 0.37 0.61 1.79 -0.39 -1.08 0.00 0.00 175.30 176.60 3d4i h VAL 370 N 3.30 0.78 0.00 4.99 -1.51 -1.57 -1.46 116.25 120.78 3d4i h VAL 370 Ca -0.50 -0.27 0.00 0.00 -1.23 0.00 0.00 66.70 64.70 3d4i h VAL 370 Cb 1.21 -0.07 0.00 0.00 -2.13 0.00 0.00 31.29 30.29 3d4i h VAL 370 CO 0.64 0.14 0.00 -0.90 -1.23 0.00 0.00 177.57 176.22 3d4i n ASP 371 N -4.76 0.70 -0.12 4.19 5.75 -1.26 -1.50 116.55 119.54 3d4i n ASP 371 Ca 0.20 0.65 -0.08 0.00 -0.01 0.00 0.00 54.79 55.55 3d4i n ASP 371 Cb 0.46 -0.81 0.08 0.00 -1.03 0.00 0.00 41.12 39.83 3d4i n ASP 371 CO 0.00 0.00 0.00 -0.61 -0.11 0.00 0.00 177.20 176.48 3d4i h GLN 372 N 0.00 0.86 0.01 0.11 4.15 -1.57 -1.04 115.11 117.63 3d4i h GLN 372 Ca 0.00 -0.31 -0.13 0.00 0.77 0.00 0.00 58.65 58.99 3d4i h GLN 372 Cb 0.44 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.06 3d4i h GLN 372 CO 0.00 0.94 -0.68 0.28 -1.93 0.00 0.00 178.83 177.44 3d4i h VAL 373 N 0.77 1.34 -0.01 2.39 2.07 -1.51 -3.40 116.25 117.90 3d4i h VAL 373 Ca 0.12 -2.28 0.00 0.00 0.82 0.00 0.00 66.70 65.36 3d4i h VAL 373 Cb 0.65 2.82 0.00 0.00 -1.52 0.00 0.00 31.29 33.23 3d4i h VAL 373 CO 0.05 0.48 -0.50 0.49 0.02 0.00 0.00 177.57 178.11 3d4i n PHE 374 N -4.48 0.00 0.00 1.57 3.72 -0.56 -5.08 117.46 112.63 3d4i n PHE 374 Ca -0.21 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.19 3d4i n PHE 374 Cb 0.61 -0.08 0.00 0.00 -0.94 0.00 0.00 39.48 39.06 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 1.42 -0.64 0.04 1.37 0.00 -0.39 -4.16 105.19 102.83 3d4i n GLY 375 Ca 0.09 -1.75 0.08 0.00 0.00 0.00 0.00 46.02 44.44 3d4i n GLY 375 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3d4i n LYS 376 N -0.64 0.05 -0.07 1.61 0.00 -1.26 -1.88 118.16 115.97 3d4i n LYS 376 Ca 0.00 0.32 0.10 0.00 0.00 0.00 0.00 58.31 58.73 3d4i n LYS 376 Cb 0.00 -1.61 0.39 0.00 0.00 0.00 0.00 35.03 33.82 3d4i n LYS 376 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 3d4i n SER 377 N -1.71 1.29 -0.31 3.14 3.41 -1.26 -4.52 113.62 113.67 3d4i n SER 377 Ca 0.03 -1.67 0.15 0.00 -0.26 0.00 0.00 58.87 57.12 3d4i n SER 377 Cb 0.17 -0.09 0.33 0.00 -0.26 0.00 0.00 64.21 64.36 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 1.70 0.53 -0.16 7.33 5.08 -1.53 -1.22 115.95 127.67 3d4i h TRP 378 Ca 0.00 0.05 -0.15 0.00 1.08 0.00 0.00 58.89 59.86 3d4i h TRP 378 Cb 0.37 -0.09 -0.01 0.00 -3.00 0.00 0.00 29.16 26.44 3d4i h TRP 378 CO 0.09 -0.17 -0.54 1.25 -1.28 0.00 0.00 178.44 177.79 3d4i h LEU 379 N 0.27 0.52 -0.76 0.11 6.46 -1.86 -2.56 115.31 117.48 3d4i h LEU 379 Ca 0.59 -0.27 -0.11 0.00 -0.12 0.00 0.00 57.88 57.97 3d4i h LEU 379 Cb 1.22 -0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 40.98 3d4i h LEU 379 CO -0.62 0.96 -0.20 1.56 -0.62 0.00 0.00 178.44 179.52 3d4i h GLN 380 N 0.36 0.72 -0.01 1.25 7.50 -1.58 -3.03 115.11 120.31 3d4i h GLN 380 Ca 0.01 -0.27 -0.03 0.00 0.50 0.00 0.00 58.65 58.86 3d4i h GLN 380 Cb 1.06 -0.04 -0.00 0.00 0.05 0.00 0.00 27.48 28.55 3d4i h GLN 380 CO 0.10 0.87 -0.11 1.96 -1.50 0.00 0.00 178.83 180.14 3d4i h GLN 381 N 0.64 0.02 -0.24 1.46 4.20 -0.97 -3.17 115.11 117.04 3d4i h GLN 381 Ca 0.09 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.80 3d4i h GLN 381 Cb 0.69 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.46 3d4i h GLN 381 CO 0.05 0.13 0.00 0.00 -0.67 0.00 0.00 178.83 178.34 3d4i s THR 383 N -2.09 3.51 0.83 0.00 2.01 -1.16 -0.92 115.64 117.82 3d4i s THR 383 Ca 0.32 -0.47 -0.11 0.00 0.31 0.00 0.00 61.69 61.73 3d4i s THR 383 Cb 0.24 -2.56 0.09 0.00 0.01 0.00 0.00 72.50 70.27 3d4i s THR 383 CO 0.10 0.46 1.09 0.42 -0.69 0.00 0.00 174.62 176.00 3d4i s THR 384 N 0.94 2.97 0.63 -0.82 -4.23 0.99 -4.84 115.64 111.28 3d4i s THR 384 Ca -0.00 0.31 0.29 0.00 -1.18 0.00 0.00 61.69 61.11 3d4i s THR 384 Cb -0.15 -2.96 0.34 0.00 1.34 0.00 0.00 72.50 71.07 3d4i s THR 384 CO 0.01 -0.41 1.92 0.00 -0.54 0.00 0.00 174.62 175.60 3d4i h ALA 385 N -1.24 1.73 0.00 3.99 0.00 -1.98 0.15 119.26 121.91 3d4i h ALA 385 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3d4i h ALA 385 Cb 1.27 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3d4i h ALA 385 CO 0.57 -0.49 -0.64 -3.47 0.00 0.00 0.00 179.25 175.22 3d4i n ASP 386 N -3.31 0.68 0.00 0.00 2.03 -1.26 -4.96 116.55 109.73 3d4i n ASP 386 Ca 0.03 0.08 0.00 0.00 0.52 0.00 0.00 54.79 55.42 3d4i n ASP 386 Cb 0.50 0.20 0.00 0.00 -0.72 0.00 0.00 41.12 41.10 3d4i n ASP 386 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3d4i n GLY 387 N 1.35 1.02 3.92 0.27 0.00 0.52 -5.08 105.19 107.18 3d4i n GLY 387 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.96 3.54 0.16 1.61 -0.14 -1.26 -4.77 119.74 117.92 3d4i s LYS 388 Ca 0.00 -0.27 -0.29 0.00 -1.36 0.00 0.00 55.97 54.05 3d4i s LYS 388 Cb 0.00 -2.84 -0.07 0.00 -1.68 0.00 0.00 37.83 33.24 3d4i s LYS 388 CO 0.00 0.41 0.92 -0.47 -0.76 0.00 0.00 175.35 175.46 3d4i s TYR 389 N -1.82 3.88 0.22 3.18 5.04 -1.26 -0.01 117.35 126.59 3d4i s TYR 389 Ca 0.39 1.81 -0.00 0.00 -2.44 0.00 0.00 57.07 56.83 3d4i s TYR 389 Cb -0.11 -2.99 -0.04 0.00 0.35 0.00 0.00 41.96 39.18 3d4i s TYR 389 CO 0.28 0.33 0.18 1.52 -1.34 0.00 0.00 175.55 176.52 3d4i s TYR 390 N -0.55 1.20 -0.48 4.97 1.13 -0.10 -4.90 117.35 118.63 3d4i s TYR 390 Ca 0.43 -1.39 -0.10 0.00 -1.41 0.00 0.00 57.07 54.61 3d4i s TYR 390 Cb -0.24 -0.53 0.12 0.00 -1.10 0.00 0.00 41.96 40.20 3d4i s TYR 390 CO 0.30 -0.70 0.36 1.03 -2.51 0.00 0.00 175.55 174.02 3d4i s ARG 391 N -4.03 2.53 0.00 -3.49 0.52 -1.26 -4.69 118.95 108.54 3d4i s ARG 391 Ca 0.38 -1.75 0.24 0.00 -0.52 0.00 0.00 55.73 54.09 3d4i s ARG 391 Cb 0.06 -3.96 1.11 0.00 0.52 0.00 0.00 34.95 32.68 3d4i s ARG 391 CO 0.14 -1.20 1.79 -0.35 0.02 0.00 0.00 175.30 175.71 3d4i n PRO 392 N 4.94 0.12 -3.70 3.54 -0.04 -1.26 -4.78 135.00 133.82 3d4i n PRO 392 Ca -0.09 0.07 -0.14 0.00 -0.04 0.00 0.00 63.50 63.31 3d4i n PRO 392 Cb 0.41 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.29 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 -2.85 -0.28 0.50 3.54 -1.08 -1.26 -5.05 116.67 110.20 3d4i s ASP 393 Ca 0.16 0.13 0.33 0.00 -0.52 0.00 0.00 52.55 52.65 3d4i s ASP 393 Cb 0.16 0.38 1.56 0.00 -1.46 0.00 0.00 42.92 43.56 3d4i s ASP 393 CO 0.42 -0.54 2.00 -0.07 0.52 0.00 0.00 175.17 177.49 3d4i h LEU 394 N 3.45 0.00 -0.00 -1.34 3.38 -2.01 -2.29 115.31 116.50 3d4i h LEU 394 Ca -0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.67 3d4i h LEU 394 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 3d4i h LEU 394 CO 0.41 0.00 0.00 -3.20 0.09 0.00 0.00 178.44 175.74 3d4i n ASN 395 N -2.83 0.00 -4.75 -0.43 5.15 -1.26 -4.64 115.26 106.50 3d4i n ASN 395 Ca -0.00 0.50 -0.40 0.00 -0.60 0.00 0.00 54.58 54.07 3d4i n ASN 395 Cb 0.20 -0.50 -0.04 0.00 -0.53 0.00 0.00 39.78 38.90 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 -3.00 3.59 0.82 1.20 0.40 -0.86 -1.01 117.98 119.13 3d4i s PHE 396 Ca 0.14 1.68 -0.11 0.00 -0.60 0.00 0.00 56.93 58.04 3d4i s PHE 396 Cb 0.19 -3.28 0.09 0.00 0.51 0.00 0.00 43.02 40.53 3d4i s PHE 396 CO 0.52 -0.54 1.13 -1.25 0.70 0.00 0.00 175.22 175.78 3d4i s PRO 397 N -1.22 1.75 0.53 0.24 0.04 -1.26 -4.62 135.00 130.46 3d4i s PRO 397 Ca 0.45 1.39 0.18 0.00 0.04 0.00 0.00 61.00 63.07 3d4i s PRO 397 Cb -0.31 -1.82 1.35 0.00 0.04 0.00 0.00 34.50 33.75 3d4i s PRO 397 CO 0.40 -2.06 2.16 0.00 0.04 0.00 0.00 177.00 177.54 3d4i h ARG 398 N -1.31 0.00 -3.33 4.56 2.47 -1.95 -3.45 114.38 111.37 3d4i h ARG 398 Ca -0.44 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.27 3d4i h ARG 398 Cb 1.25 0.00 -0.09 0.00 -1.65 0.00 0.00 29.97 29.48 3d4i h ARG 398 CO 0.47 0.00 0.03 -1.54 0.56 0.00 0.00 179.97 179.50 3d4i s SER 399 N -6.93 -0.22 0.02 7.04 1.04 -1.26 -4.97 113.70 108.43 3d4i s SER 399 Ca -0.05 -0.61 0.03 0.00 0.48 0.00 0.00 55.95 55.80 3d4i s SER 399 Cb 0.17 0.61 -0.04 0.00 0.10 0.00 0.00 66.02 66.86 3d4i s SER 399 CO 0.65 -1.13 -0.05 -0.76 0.98 0.00 0.00 173.24 172.93 3d4i s LEU 400 N -2.92 3.25 0.65 2.42 1.43 -1.26 -5.12 118.68 117.14 3d4i s LEU 400 Ca 0.13 -0.15 -0.18 0.00 -1.03 0.00 0.00 54.13 52.90 3d4i s LEU 400 Cb -0.02 -1.90 -0.01 0.00 0.03 0.00 0.00 46.19 44.29 3d4i s LEU 400 CO 0.02 0.26 1.17 -2.65 0.23 0.00 0.00 176.35 175.37 3d4i n PRO 401 N 1.33 0.95 -2.17 1.29 -0.02 -1.26 -4.93 135.00 130.19 3d4i n PRO 401 Ca -0.14 0.38 -0.42 0.00 -2.02 0.00 0.00 63.50 61.29 3d4i n PRO 401 Cb 0.52 -2.40 -0.03 0.00 -0.02 0.00 0.00 33.50 31.58 3d4i n PRO 401 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3d4i s ARG 402 N -3.24 4.30 0.56 -0.52 0.52 -1.26 -5.02 118.95 114.29 3d4i s ARG 402 Ca 0.80 2.05 0.06 0.00 -0.52 0.00 0.00 55.73 58.12 3d4i s ARG 402 Cb -0.38 -3.41 0.05 0.00 0.52 0.00 0.00 34.95 31.73 3d4i s ARG 402 CO 0.43 -0.52 0.48 0.50 0.02 0.00 0.00 175.30 176.22 3d4i s ARG 403 N 1.74 2.25 -0.18 3.54 3.52 -1.26 -4.88 118.95 123.68 3d4i s ARG 403 Ca 0.65 -1.97 -0.15 0.00 -0.13 0.00 0.00 55.73 54.13 3d4i s ARG 403 Cb -0.35 -2.19 -0.10 0.00 -1.56 0.00 0.00 34.95 30.75 3d4i s ARG 403 CO 0.29 -0.69 -0.07 0.43 -0.81 0.00 0.00 175.30 174.46 3d4i n SER 404 N -1.87 1.85 -0.85 -2.12 7.64 -1.26 -4.38 113.62 112.63 3d4i n SER 404 Ca 0.01 0.50 0.05 0.00 1.01 0.00 0.00 58.87 60.45 3d4i n SER 404 Cb 0.64 -0.89 0.18 0.00 -1.01 0.00 0.00 64.21 63.13 3d4i n SER 404 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3d4i n ASN 405 N -4.50 2.45 0.00 6.43 4.13 -1.26 -5.03 115.26 117.47 3d4i n ASN 405 Ca -0.22 -2.14 0.00 0.00 1.68 0.00 0.00 54.58 53.90 3d4i n ASN 405 Cb 0.50 -0.36 0.00 0.00 -1.54 0.00 0.00 39.78 38.39 3d4i n ASN 405 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3d4i n GLY 406 N 0.87 -2.69 0.35 7.41 0.00 -1.26 -4.53 105.19 105.33 3d4i n GLY 406 Ca 0.13 -1.83 0.18 0.00 0.00 0.00 0.00 46.02 44.51 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 0.29 0.00 -0.61 2.10 -1.94 -2.83 117.51 114.51 3d4i h ILE 407 Ca 0.00 0.00 -0.04 0.00 1.08 0.00 0.00 64.86 65.90 3d4i h ILE 407 Cb 0.00 0.77 -0.01 0.00 -1.09 0.00 0.00 36.82 36.49 3d4i h ILE 407 CO 0.00 0.00 -0.18 0.07 -1.08 0.00 0.00 178.15 176.96 3d4i h LYS 408 N 0.00 0.00 0.00 2.19 2.10 -1.95 -2.62 116.57 116.29 3d4i h LYS 408 Ca 0.08 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.73 3d4i h LYS 408 Cb 0.62 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.95 3d4i h LYS 408 CO -0.00 0.18 0.00 -0.25 -2.00 0.00 0.00 179.45 177.38 3d4i n ASP 409 N -4.12 0.00 0.03 7.07 8.00 -1.07 -3.02 116.55 123.45 3d4i n ASP 409 Ca -0.02 -1.02 0.13 0.00 0.71 0.00 0.00 54.79 54.59 3d4i n ASP 409 Cb 0.25 0.00 0.51 0.00 -0.02 0.00 0.00 41.12 41.86 3d4i n ASP 409 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3d4i n PHE 410 N -0.95 0.28 -0.34 1.24 3.72 -0.99 -4.37 117.46 116.04 3d4i n PHE 410 Ca 0.20 0.08 0.01 0.00 -0.05 0.00 0.00 57.45 57.69 3d4i n PHE 410 Cb 0.09 -0.60 0.17 0.00 -0.94 0.00 0.00 39.48 38.20 3d4i n PHE 410 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 3d4i h GLU 411 N 0.00 1.17 -0.08 -1.08 4.81 -1.75 -0.45 114.58 117.19 3d4i h GLU 411 Ca 0.00 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 3d4i h GLU 411 Cb 0.57 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.69 3d4i h GLU 411 CO 0.00 0.77 0.00 0.09 -0.73 0.00 0.00 179.01 179.14 3d4i n ASN 412 N -4.44 2.47 -3.20 1.04 3.02 -1.26 -4.58 115.26 108.31 3d4i n ASN 412 Ca 0.13 -1.82 -0.23 0.00 -0.03 0.00 0.00 54.58 52.63 3d4i n ASN 412 Cb 0.09 -0.04 -0.06 0.00 -0.61 0.00 0.00 39.78 39.17 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 0.91 1.36 -4.78 6.41 2.03 -0.19 -4.95 116.55 117.35 3d4i n ASP 413 Ca 0.16 -3.01 -0.35 0.00 0.52 0.00 0.00 54.79 52.11 3d4i n ASP 413 Cb 0.50 -0.63 -0.00 0.00 -0.72 0.00 0.00 41.12 40.27 3d4i n ASP 413 CO 0.00 0.00 0.00 -2.84 -1.92 0.00 0.00 177.20 172.44 3d4i s PRO 414 N -2.01 3.50 0.77 -0.67 0.02 -1.17 -4.73 135.00 130.72 3d4i s PRO 414 Ca 0.39 1.62 -0.12 0.00 0.02 0.00 0.00 61.00 62.91 3d4i s PRO 414 Cb 0.24 -2.11 0.05 0.00 0.02 0.00 0.00 34.50 32.70 3d4i s PRO 414 CO -0.09 -0.73 1.11 -1.25 -0.33 0.00 0.00 177.00 175.71 3d4i s PRO 415 N -3.14 2.30 0.44 5.54 0.04 -1.26 -3.56 135.00 135.35 3d4i s PRO 415 Ca 0.70 0.45 -0.25 0.00 0.04 0.00 0.00 61.00 61.94 3d4i s PRO 415 Cb -0.24 -1.96 -0.08 0.00 0.04 0.00 0.00 34.50 32.26 3d4i s PRO 415 CO 0.28 -1.43 1.38 -0.51 0.04 0.00 0.00 177.00 176.76 3d4i s LEU 416 N -5.60 4.14 0.92 -3.56 1.43 -1.26 -1.61 118.68 113.14 3d4i s LEU 416 Ca 0.60 2.82 -0.12 0.00 -1.03 0.00 0.00 54.13 56.40 3d4i s LEU 416 Cb -0.12 -3.93 0.14 0.00 0.03 0.00 0.00 46.19 42.30 3d4i s LEU 416 CO 0.52 -1.07 1.13 -0.94 0.23 0.00 0.00 176.35 176.23 3d4i s SER 417 N -0.61 3.44 0.29 2.29 1.04 -0.67 -4.47 113.70 115.02 3d4i s SER 417 Ca 0.60 0.98 0.00 0.00 0.48 0.00 0.00 55.95 58.01 3d4i s SER 417 Cb -0.41 -1.57 0.52 0.00 0.10 0.00 0.00 66.02 64.66 3d4i s SER 417 CO 0.53 -2.60 1.88 0.28 0.98 0.00 0.00 173.24 174.31 3d4i h SER 418 N -1.53 0.94 -0.58 7.02 0.02 -1.33 -0.57 113.55 117.52 3d4i h SER 418 Ca -0.51 0.02 -0.10 0.00 -0.84 0.00 0.00 61.79 60.37 3d4i h SER 418 Cb 1.33 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 63.68 3d4i h SER 418 CO 0.62 0.56 -0.01 0.00 -1.14 0.00 0.00 176.83 176.86 3d4i h GLY 420 N 0.93 1.05 0.91 0.00 0.00 -1.50 0.15 103.07 104.60 3d4i h GLY 420 Ca 0.16 -0.43 -0.06 0.00 0.00 0.00 0.00 47.33 47.00 3d4i h GLY 420 CO 0.03 0.42 -0.03 -2.22 0.00 0.00 0.00 176.54 174.74 3d4i h ILE 421 N 0.99 1.27 -0.74 2.60 2.04 -0.84 -1.86 117.51 120.97 3d4i h ILE 421 Ca 0.26 -1.04 0.01 0.00 1.00 0.00 0.00 64.86 65.09 3d4i h ILE 421 Cb -0.03 1.27 -0.04 0.00 -0.74 0.00 0.00 36.82 37.29 3d4i h ILE 421 CO -0.05 0.34 0.49 0.15 0.00 0.00 0.00 178.15 179.09 3d4i h PHE 422 N 0.41 0.93 -0.18 1.37 3.57 -0.60 -0.53 116.94 121.92 3d4i h PHE 422 Ca 0.09 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.61 3d4i h PHE 422 Cb 0.51 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 3d4i h PHE 422 CO 0.04 0.59 0.11 1.96 -2.23 0.00 0.00 178.31 178.78 3d4i h GLN 423 N 1.01 0.24 -0.64 1.11 4.20 -0.59 -0.10 115.11 120.33 3d4i h GLN 423 Ca 0.27 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.93 3d4i h GLN 423 Cb -0.11 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 27.59 3d4i h GLN 423 CO -0.06 0.18 0.26 0.00 -0.67 0.00 0.00 178.83 178.53 3d4i h ALA 424 N 1.05 0.83 -0.47 3.87 0.00 -1.00 -1.05 119.26 122.48 3d4i h ALA 424 Ca 0.06 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.67 3d4i h ALA 424 Cb -0.01 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3d4i h ALA 424 CO -0.01 0.45 -0.21 0.00 0.00 0.00 0.00 179.25 179.48 3d4i h ARG 425 N 0.90 0.98 -0.57 0.00 3.08 -0.97 -0.80 114.38 116.99 3d4i h ARG 425 Ca 0.21 -0.42 -0.00 0.00 0.07 0.00 0.00 59.98 59.84 3d4i h ARG 425 Cb 0.20 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.19 3d4i h ARG 425 CO -0.02 1.09 0.34 1.25 -1.07 0.00 0.00 179.97 181.56 3d4i h LEU 426 N 0.83 0.69 -0.69 3.04 5.85 -0.77 0.66 115.31 124.92 3d4i h LEU 426 Ca 0.11 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 3d4i h LEU 426 Cb 0.78 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.61 3d4i h LEU 426 CO 0.06 0.54 0.33 0.00 -0.34 0.00 0.00 178.44 179.04 3d4i h ALA 427 N 1.17 0.88 -0.51 1.25 0.00 -1.10 -1.73 119.26 119.22 3d4i h ALA 427 Ca 0.20 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 3d4i h ALA 427 Cb -0.02 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3d4i h ALA 427 CO -0.04 0.44 -0.11 0.78 0.00 0.00 0.00 179.25 180.32 3d4i h GLY 428 N 0.95 1.03 0.99 0.00 0.00 -0.83 -0.61 103.07 104.60 3d4i h GLY 428 Ca 0.24 -0.82 -0.01 0.00 0.00 0.00 0.00 47.33 46.74 3d4i h GLY 428 CO -0.03 0.75 0.30 -2.09 0.00 0.00 0.00 176.54 175.47 3d4i h GLU 429 N 0.85 0.72 -0.40 4.80 4.81 -0.82 -1.57 114.58 122.98 3d4i h GLU 429 Ca 0.13 -0.08 -0.06 0.00 -0.13 0.00 0.00 59.36 59.23 3d4i h GLU 429 Cb 0.66 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.87 3d4i h GLU 429 CO 0.05 0.55 -0.00 0.00 -0.73 0.00 0.00 179.01 178.87 3d4i h ALA 430 N 1.13 1.26 -0.76 2.92 0.00 -1.13 -1.67 119.26 121.01 3d4i h ALA 430 Ca 0.19 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 3d4i h ALA 430 Cb 0.03 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3d4i h ALA 430 CO -0.03 0.50 0.28 -0.07 0.00 0.00 0.00 179.25 179.93 3d4i h LEU 431 N 0.60 1.07 0.22 0.00 3.38 -0.88 -0.98 115.31 118.73 3d4i h LEU 431 Ca 0.12 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3d4i h LEU 431 Cb 0.38 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3d4i h LEU 431 CO 0.01 0.97 -0.11 0.25 0.09 0.00 0.00 178.44 179.65 3d4i h LEU 432 N 1.11 -0.26 -2.76 1.67 5.85 -1.01 -2.90 115.31 117.02 3d4i h LEU 432 Ca 0.25 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.96 3d4i h LEU 432 Cb 0.25 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.34 3d4i h LEU 432 CO -0.02 -0.16 -0.00 0.44 -0.34 0.00 0.00 178.44 178.36 3d4i h ASP 433 N -0.32 0.00 1.35 1.25 3.32 -1.14 -2.47 116.42 118.42 3d4i h ASP 433 Ca -0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.02 3d4i h ASP 433 Cb 0.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.80 3d4i h ASP 433 CO 0.05 0.00 0.00 0.77 -1.72 0.00 0.00 179.24 178.34 3d4i h SER 434 N 0.00 0.00 0.00 6.45 4.64 -0.96 -3.47 113.55 120.21 3d4i h SER 434 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3d4i h SER 434 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 3d4i h SER 434 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3d4i n GLY 435 N 0.49 1.89 3.76 -0.77 0.00 -0.93 -5.03 105.19 104.60 3d4i n GLY 435 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 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 -3.40 2.72 -0.48 1.61 -7.23 -1.26 -4.97 120.40 107.39 3d4i s VAL 436 Ca 0.00 0.51 -0.19 0.00 -1.81 0.00 0.00 61.98 60.48 3d4i s VAL 436 Cb 0.00 -3.24 0.04 0.00 0.56 0.00 0.00 36.38 33.74 3d4i s VAL 436 CO 0.00 -0.04 0.61 -0.60 -0.31 0.00 0.00 175.10 174.76 3d4i s ARG 437 N -2.98 3.16 -0.11 4.82 3.52 -1.26 -4.96 118.95 121.15 3d4i s ARG 437 Ca 0.70 -0.72 -0.20 0.00 -0.13 0.00 0.00 55.73 55.38 3d4i s ARG 437 Cb -0.32 -4.04 -0.04 0.00 -1.56 0.00 0.00 34.95 29.00 3d4i s ARG 437 CO 0.37 -1.12 0.56 0.08 -0.81 0.00 0.00 175.30 174.38 3d4i s VAL 438 N 2.63 5.13 0.00 7.11 1.01 -1.26 0.58 120.40 135.60 3d4i s VAL 438 Ca 0.17 1.13 0.00 0.00 0.00 0.00 0.00 61.98 63.28 3d4i s VAL 438 Cb -0.17 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.31 3d4i s VAL 438 CO 0.14 0.28 0.00 1.07 0.00 0.00 0.00 175.10 176.59 3d4i n THR 439 N 3.82 0.00 -3.46 3.92 5.66 -0.33 -4.87 114.28 119.02 3d4i n THR 439 Ca -0.05 -0.04 -0.13 0.00 -3.05 0.00 0.00 64.05 60.78 3d4i n THR 439 Cb 0.51 0.46 -0.03 0.00 -1.55 0.00 0.00 70.33 69.72 3d4i n THR 439 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3d4i s ALA 440 N -1.50 -1.67 -0.05 1.79 0.00 -1.23 -5.03 121.76 114.06 3d4i s ALA 440 Ca 0.00 0.78 -0.02 0.00 0.00 0.00 0.00 51.96 52.73 3d4i s ALA 440 Cb 0.00 0.57 0.04 0.00 0.00 0.00 0.00 23.12 23.73 3d4i s ALA 440 CO 0.00 -0.65 0.10 0.08 0.00 0.00 0.00 175.76 175.29 3d4i s VAL 441 N -2.95 -0.10 0.07 0.00 1.01 -1.26 -1.10 120.40 116.06 3d4i s VAL 441 Ca -0.02 0.27 0.08 0.00 0.00 0.00 0.00 61.98 62.31 3d4i s VAL 441 Cb -0.01 -0.18 -0.04 0.00 0.00 0.00 0.00 36.38 36.15 3d4i s VAL 441 CO -0.06 0.11 -0.18 -0.36 0.00 0.00 0.00 175.10 174.61 3d4i s PHE 442 N 1.54 2.55 0.01 5.22 0.40 0.55 -1.25 117.98 127.00 3d4i s PHE 442 Ca -0.04 -0.26 -0.01 0.00 -0.60 0.00 0.00 56.93 56.02 3d4i s PHE 442 Cb -0.12 -1.42 -0.01 0.00 0.51 0.00 0.00 43.02 41.98 3d4i s PHE 442 CO -0.04 0.30 0.01 0.00 0.70 0.00 0.00 175.22 176.19 3d4i s ALA 443 N -1.01 -0.00 0.58 5.36 0.00 -0.01 -0.17 121.76 126.51 3d4i s ALA 443 Ca 0.16 -0.29 -0.20 0.00 0.00 0.00 0.00 51.96 51.63 3d4i s ALA 443 Cb -0.11 0.07 -0.05 0.00 0.00 0.00 0.00 23.12 23.04 3d4i s ALA 443 CO 0.07 -0.11 1.14 0.45 0.00 0.00 0.00 175.76 177.30 3d4i n SER 444 N 2.11 1.58 0.03 0.00 2.88 -0.56 -0.57 113.62 119.09 3d4i n SER 444 Ca -0.20 0.88 0.07 0.00 -1.33 0.00 0.00 58.87 58.29 3d4i n SER 444 Cb 0.57 -1.47 0.30 0.00 -0.75 0.00 0.00 64.21 62.86 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 -1.07 0.04 -1.74 -1.46 -0.04 -1.26 -3.97 135.00 125.49 3d4i n PRO 445 Ca 0.13 0.35 -0.42 0.00 -0.04 0.00 0.00 63.50 63.52 3d4i n PRO 445 Cb 0.46 -1.59 -0.02 0.00 -0.04 0.00 0.00 33.50 32.31 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 -1.56 2.51 -0.22 0.55 0.00 -1.26 -4.66 120.51 115.86 3d4i n ALA 446 Ca 0.02 0.38 0.03 0.00 0.00 0.00 0.00 53.44 53.87 3d4i n ALA 446 Cb 0.14 -2.46 0.14 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 5.07 -0.00 -1.91 0.00 5.85 -1.85 0.21 115.31 122.68 3d4i h LEU 447 Ca -0.46 0.13 0.12 0.00 0.84 0.00 0.00 57.88 58.50 3d4i h LEU 447 Cb 1.22 0.18 -0.02 0.00 0.37 0.00 0.00 40.66 42.41 3d4i h LEU 447 CO 0.82 -0.01 0.33 0.08 -0.34 0.00 0.00 178.44 179.31 3d4i h ARG 448 N 0.26 0.10 0.09 1.25 0.11 -1.88 0.11 114.38 114.41 3d4i h ARG 448 Ca 0.36 -0.01 -0.19 0.00 0.10 0.00 0.00 59.98 60.25 3d4i h ARG 448 Cb 0.57 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.63 3d4i h ARG 448 CO -0.46 0.06 -0.92 0.00 0.10 0.00 0.00 179.97 178.76 3d4i h VAL 450 N -0.55 1.22 -0.51 0.00 2.07 -0.94 -1.56 116.25 115.97 3d4i h VAL 450 Ca -0.20 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 66.91 3d4i h VAL 450 Cb 1.51 -0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 3d4i h VAL 450 CO 0.04 0.21 0.28 1.56 0.02 0.00 0.00 177.57 179.68 3d4i h GLN 451 N 1.15 0.71 -0.26 1.57 4.20 -0.90 -1.50 115.11 120.08 3d4i h GLN 451 Ca 0.31 -0.08 0.01 0.00 0.06 0.00 0.00 58.65 58.94 3d4i h GLN 451 Cb -0.13 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.50 3d4i h GLN 451 CO -0.07 0.56 0.16 1.15 -0.67 0.00 0.00 178.83 179.96 3d4i h THR 452 N 0.68 1.04 -0.47 -0.54 2.02 -1.16 -1.71 112.91 112.77 3d4i h THR 452 Ca 0.18 -0.11 0.07 0.00 0.77 0.00 0.00 66.41 67.32 3d4i h THR 452 Cb 0.05 0.69 -0.06 0.00 -1.74 0.00 0.00 68.15 67.09 3d4i h THR 452 CO -0.03 0.06 0.13 0.00 0.37 0.00 0.00 175.52 176.05 3d4i h ALA 453 N 1.11 0.54 -0.45 6.16 0.00 -1.17 -2.03 119.26 123.41 3d4i h ALA 453 Ca 0.10 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 3d4i h ALA 453 Cb -0.02 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3d4i h ALA 453 CO -0.04 -0.27 0.26 -0.22 0.00 0.00 0.00 179.25 178.98 3d4i h LYS 454 N 0.28 0.62 -0.48 0.00 3.64 -0.96 -1.50 116.57 118.15 3d4i h LYS 454 Ca 0.23 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.49 3d4i h LYS 454 Cb 0.27 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 3d4i h LYS 454 CO -0.27 0.46 0.07 0.45 -2.27 0.00 0.00 179.45 177.90 3d4i h HIS 455 N 0.60 0.78 -0.28 1.91 3.86 -1.12 0.62 115.15 121.51 3d4i h HIS 455 Ca 0.16 -0.08 -0.06 0.00 -1.16 0.00 0.00 60.37 59.23 3d4i h HIS 455 Cb 0.01 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 28.25 3d4i h HIS 455 CO -0.03 0.69 -0.08 0.82 0.86 0.00 0.00 177.93 180.19 3d4i h ILE 456 N 0.72 1.28 -0.43 2.45 2.04 -1.19 -2.52 117.51 119.85 3d4i h ILE 456 Ca 0.15 -1.11 -0.10 0.00 1.00 0.00 0.00 64.86 64.80 3d4i h ILE 456 Cb 0.33 1.43 -0.02 0.00 -0.74 0.00 0.00 36.82 37.82 3d4i h ILE 456 CO 0.01 0.35 -0.14 -0.07 0.00 0.00 0.00 178.15 178.29 3d4i h LEU 457 N 0.31 0.81 -0.63 1.44 3.38 -0.95 -1.30 115.31 118.37 3d4i h LEU 457 Ca 0.07 -0.26 0.07 0.00 0.09 0.00 0.00 57.88 57.85 3d4i h LEU 457 Cb 0.56 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 41.03 3d4i h LEU 457 CO 0.03 0.96 0.32 -0.33 0.09 0.00 0.00 178.44 179.51 3d4i h GLU 458 N 0.72 0.56 -0.05 1.13 5.08 -0.81 -0.32 114.58 120.90 3d4i h GLU 458 Ca 0.11 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.34 3d4i h GLU 458 Cb 0.65 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 3d4i h GLU 458 CO 0.05 0.37 -0.43 0.93 -1.00 0.00 0.00 179.01 178.93 3d4i h GLU 459 N 0.58 0.10 0.00 2.33 4.39 -1.00 -2.11 114.58 118.88 3d4i h GLU 459 Ca 0.29 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.95 3d4i h GLU 459 Cb 0.24 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 3d4i h GLU 459 CO -0.22 0.52 0.00 1.28 -1.16 0.00 0.00 179.01 179.43 3d4i n LEU 460 N -4.02 0.28 -3.09 1.33 4.32 -0.53 -4.69 117.00 110.61 3d4i n LEU 460 Ca -0.02 0.55 -0.23 0.00 -0.02 0.00 0.00 56.01 56.29 3d4i n LEU 460 Cb 0.47 -0.48 0.04 0.00 -1.62 0.00 0.00 43.42 41.83 3d4i n LEU 460 CO 0.41 -0.23 0.02 0.29 -1.22 0.00 0.00 177.39 176.66 3d4i n LYS 461 N -1.79 -5.25 -0.01 3.23 4.01 -0.28 -4.92 118.16 113.15 3d4i n LYS 461 Ca 0.05 0.90 0.01 0.00 -0.51 0.00 0.00 58.31 58.76 3d4i n LYS 461 Cb 0.28 -5.79 0.01 0.00 -0.51 0.00 0.00 35.03 29.02 3d4i n LYS 461 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 3d4i n LEU 462 N -4.15 1.83 0.26 -0.35 4.77 -0.35 -4.75 117.00 114.26 3d4i n LEU 462 Ca -0.10 -1.74 0.10 0.00 -0.03 0.00 0.00 56.01 54.24 3d4i n LEU 462 Cb 0.61 -0.02 0.70 0.00 -2.33 0.00 0.00 43.42 42.39 3d4i n LEU 462 CO 0.50 0.45 1.09 1.05 -1.33 0.00 0.00 177.39 179.15 3d4i h GLU 463 N 0.21 0.00 0.00 3.23 -0.00 -1.82 0.11 114.58 116.31 3d4i h GLU 463 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 59.36 59.22 3d4i h GLU 463 Cb 0.40 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 29.12 3d4i h GLU 463 CO 0.00 0.00 -1.20 0.87 -0.00 0.00 0.00 179.01 178.68 3d4i h LYS 464 N 0.00 0.00 0.06 1.06 1.57 -1.92 -3.40 116.57 113.94 3d4i h LYS 464 Ca 0.01 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.60 3d4i h LYS 464 Cb 0.05 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 3d4i h LYS 464 CO -0.00 0.31 -1.00 -0.22 -0.57 0.00 0.00 179.45 177.97 3d4i h LYS 465 N 0.00 0.13 -5.17 3.15 1.63 -1.45 -3.45 116.57 111.41 3d4i h LYS 465 Ca -0.12 -0.22 -0.62 0.00 -0.85 0.00 0.00 60.65 58.84 3d4i h LYS 465 Cb 1.50 0.08 -0.17 0.00 -0.60 0.00 0.00 32.23 33.05 3d4i h LYS 465 CO 0.05 1.11 -0.56 -0.51 -3.45 0.00 0.00 179.45 176.08 3d4i s LEU 466 N -7.81 3.83 0.12 5.20 1.43 0.25 -5.09 118.68 116.60 3d4i s LEU 466 Ca -0.22 0.04 -0.15 0.00 -1.03 0.00 0.00 54.13 52.78 3d4i s LEU 466 Cb 0.03 -2.00 -0.07 0.00 0.03 0.00 0.00 46.19 44.19 3d4i s LEU 466 CO 0.71 0.11 0.53 -0.54 0.23 0.00 0.00 176.35 177.38 3d4i s LYS 467 N 0.78 3.98 -0.25 1.70 1.02 -1.26 -4.70 119.74 121.02 3d4i s LYS 467 Ca 0.05 0.49 -0.27 0.00 0.02 0.00 0.00 55.97 56.26 3d4i s LYS 467 Cb -0.13 -3.00 0.00 0.00 -0.52 0.00 0.00 37.83 34.18 3d4i s LYS 467 CO 0.02 0.52 0.93 0.42 -0.92 0.00 0.00 175.35 176.33 3d4i s ILE 468 N -1.38 4.74 -0.34 2.17 1.01 0.10 -4.49 121.20 123.01 3d4i s ILE 468 Ca 0.35 1.75 -0.22 0.00 0.00 0.00 0.00 60.65 62.53 3d4i s ILE 468 Cb -0.16 -4.22 0.00 0.00 0.01 0.00 0.00 42.46 38.10 3d4i s ILE 468 CO 0.19 -0.16 0.74 -0.13 0.00 0.00 0.00 174.94 175.57 3d4i s ARG 469 N 3.06 3.80 -0.10 2.79 0.52 -0.38 -1.13 118.95 127.51 3d4i s ARG 469 Ca 0.39 0.32 -0.25 0.00 -0.52 0.00 0.00 55.73 55.68 3d4i s ARG 469 Cb -0.15 -3.78 -0.03 0.00 0.52 0.00 0.00 34.95 31.51 3d4i s ARG 469 CO 0.08 -0.75 0.77 0.08 0.02 0.00 0.00 175.30 175.49 3d4i s VAL 470 N 2.93 4.97 -0.38 3.52 1.01 -1.26 -0.83 120.40 130.36 3d4i s VAL 470 Ca 0.29 1.56 0.01 0.00 0.00 0.00 0.00 61.98 63.84 3d4i s VAL 470 Cb -0.14 -4.10 0.12 0.00 0.00 0.00 0.00 36.38 32.27 3d4i s VAL 470 CO 0.15 0.16 0.18 -0.70 0.00 0.00 0.00 175.10 174.89 3d4i s GLU 471 N 1.35 0.96 0.67 2.72 2.56 0.26 -4.68 118.70 122.54 3d4i s GLU 471 Ca 0.39 -1.56 0.38 0.00 0.00 0.00 0.00 54.97 54.18 3d4i s GLU 471 Cb -0.18 -2.05 2.07 0.00 2.00 0.00 0.00 34.13 35.98 3d4i s GLU 471 CO 0.17 -1.11 2.17 -1.35 -0.56 0.00 0.00 175.26 174.59 3d4i h PRO 472 N 7.27 0.00 0.00 4.30 0.11 -1.83 -1.65 132.00 140.20 3d4i h PRO 472 Ca -0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.06 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 0.44 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.64 3d4i n GLY 473 N -1.15 -0.90 0.71 -0.55 0.00 -1.23 -1.13 105.19 100.94 3d4i n GLY 473 Ca -0.02 0.12 0.07 0.00 0.00 0.00 0.00 46.02 46.19 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 -2.07 1.84 -0.80 -0.61 -5.35 -0.62 -3.87 119.36 107.88 3d4i n ILE 474 Ca -0.00 -1.63 -0.30 0.00 -0.27 0.00 0.00 62.75 60.56 3d4i n ILE 474 Cb 0.08 -0.01 0.18 0.00 -1.74 0.00 0.00 39.64 38.16 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 -2.24 1.75 0.76 4.28 5.36 -0.28 -4.63 117.98 122.98 3d4i s PHE 475 Ca 0.34 1.44 -0.15 0.00 -0.96 0.00 0.00 56.93 57.60 3d4i s PHE 475 Cb 0.26 -3.20 0.04 0.00 -0.34 0.00 0.00 43.02 39.78 3d4i s PHE 475 CO 0.10 -3.02 1.09 -1.91 -1.46 0.00 0.00 175.22 170.01 3d4i n GLU 476 N -4.35 0.40 -1.68 10.12 4.07 -1.26 -4.90 120.64 123.04 3d4i n GLU 476 Ca 0.07 0.20 -0.45 0.00 -0.06 0.00 0.00 57.16 56.93 3d4i n GLU 476 Cb 0.54 -2.34 -0.04 0.00 -0.06 0.00 0.00 31.44 29.54 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 -2.84 2.44 0.29 4.31 -0.00 -1.26 -4.85 117.44 115.53 3d4i n TRP 477 Ca 0.13 0.06 0.16 0.00 -0.00 0.00 0.00 57.50 57.86 3d4i n TRP 477 Cb 0.50 -2.64 0.91 0.00 -0.00 0.00 0.00 31.31 30.08 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 7.47 0.00 -1.00 5.87 2.86 -1.87 -1.20 114.93 127.07 3d4i h MET 478 Ca -0.46 0.00 0.26 0.00 -2.06 0.00 0.00 59.70 57.44 3d4i h MET 478 Cb 1.24 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.83 3d4i h MET 478 CO 0.93 0.04 0.67 -0.22 1.06 0.00 0.00 176.91 179.39 3d4i h LYS 479 N 0.00 0.29 -0.50 1.72 1.63 -1.81 -2.21 116.57 115.69 3d4i h LYS 479 Ca -0.00 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 3d4i h LYS 479 Cb 0.16 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 31.73 3d4i h LYS 479 CO 0.01 0.19 0.00 0.91 -3.45 0.00 0.00 179.45 177.11 3d4i n TRP 480 N -4.49 1.21 -4.29 1.91 8.01 -0.45 -4.94 117.44 114.39 3d4i n TRP 480 Ca 0.23 -0.66 -0.17 0.00 -1.31 0.00 0.00 57.50 55.59 3d4i n TRP 480 Cb 0.88 -0.24 -0.10 0.00 -2.01 0.00 0.00 31.31 29.84 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 -1.97 1.16 0.59 -0.99 0.41 -0.83 -5.03 118.70 112.05 3d4i s GLU 481 Ca 0.44 -1.46 -0.20 0.00 -0.41 0.00 0.00 54.97 53.34 3d4i s GLU 481 Cb 0.30 -0.90 -0.03 0.00 -1.78 0.00 0.00 34.13 31.72 3d4i s GLU 481 CO 0.19 0.14 1.33 0.00 -0.49 0.00 0.00 175.26 176.43 3d4i s ALA 482 N -2.89 2.61 0.42 5.21 0.00 -1.26 -4.91 121.76 120.93 3d4i s ALA 482 Ca 0.17 1.28 0.20 0.00 0.00 0.00 0.00 51.96 53.61 3d4i s ALA 482 Cb -0.01 -3.56 1.16 0.00 0.00 0.00 0.00 23.12 20.72 3d4i s ALA 482 CO 0.04 -1.48 2.01 0.66 0.00 0.00 0.00 175.76 176.98 3d4i h SER 483 N 1.01 0.00 -0.08 0.00 4.64 -1.96 -2.14 113.55 115.02 3d4i h SER 483 Ca -0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 3d4i h SER 483 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 3d4i h SER 483 CO 0.55 0.18 0.00 2.29 -0.87 0.00 0.00 176.83 178.98 3d4i n LYS 484 N -3.99 1.89 -0.17 4.77 0.00 -1.26 -4.55 118.16 114.85 3d4i n LYS 484 Ca -0.02 -1.30 -0.01 0.00 -0.00 0.00 0.00 58.31 56.97 3d4i n LYS 484 Cb 0.26 -1.46 0.08 0.00 -0.00 0.00 0.00 35.03 33.91 3d4i n LYS 484 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3d4i h ALA 485 N 4.38 0.59 0.00 0.58 0.00 -1.75 -1.21 119.26 121.85 3d4i h ALA 485 Ca 0.00 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3d4i h ALA 485 Cb 0.64 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 3d4i h ALA 485 CO 0.00 -0.32 -0.06 1.79 0.00 0.00 0.00 179.25 180.66 3d4i h THR 486 N 0.22 0.72 0.00 0.00 1.35 -1.81 -0.87 112.91 112.52 3d4i h THR 486 Ca 0.27 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.88 3d4i h THR 486 Cb 0.38 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 67.95 3d4i h THR 486 CO -0.36 0.06 0.00 0.18 -0.25 0.00 0.00 175.52 175.15 3d4i n LEU 487 N -3.98 0.00 0.00 3.87 4.77 -0.46 -3.63 117.00 117.57 3d4i n LEU 487 Ca -0.03 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 3d4i n LEU 487 Cb 0.15 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 3d4i n LEU 487 CO 0.31 -0.09 0.10 0.41 -1.33 0.00 0.00 177.39 176.79 3d4i n THR 488 N -1.26 0.00 -1.64 -5.08 -1.04 -0.34 -5.04 114.28 99.89 3d4i n THR 488 Ca 0.10 -0.31 -0.40 0.00 -2.04 0.00 0.00 64.05 61.40 3d4i n THR 488 Cb 0.15 1.24 0.02 0.00 -1.82 0.00 0.00 70.33 69.92 3d4i n THR 488 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 3d4i n PHE 489 N -0.23 1.36 -1.79 -1.42 3.72 -1.16 -4.92 117.46 113.02 3d4i n PHE 489 Ca 0.00 0.51 -0.41 0.00 -0.05 0.00 0.00 57.45 57.50 3d4i n PHE 489 Cb 0.06 -2.25 0.00 0.00 -0.94 0.00 0.00 39.48 36.35 3d4i n PHE 489 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3d4i s LEU 490 N -1.21 4.30 0.73 4.37 1.43 -1.26 -5.00 118.68 122.04 3d4i s LEU 490 Ca 0.66 3.05 -0.11 0.00 -1.03 0.00 0.00 54.13 56.70 3d4i s LEU 490 Cb -0.51 -3.69 0.03 0.00 0.03 0.00 0.00 46.19 42.05 3d4i s LEU 490 CO 0.55 -0.91 1.08 0.42 0.23 0.00 0.00 176.35 177.72 3d4i s THR 491 N -1.13 3.66 0.35 5.49 -4.23 -1.26 -4.86 115.64 113.67 3d4i s THR 491 Ca 0.53 0.56 0.06 0.00 -1.18 0.00 0.00 61.69 61.66 3d4i s THR 491 Cb -0.46 -3.16 0.30 0.00 1.34 0.00 0.00 72.50 70.51 3d4i s THR 491 CO 0.63 -0.69 1.93 -0.07 -0.54 0.00 0.00 174.62 175.88 3d4i h LEU 492 N -0.83 0.70 -0.08 4.79 4.07 -1.98 0.94 115.31 122.92 3d4i h LEU 492 Ca -0.44 0.01 -0.01 0.00 0.08 0.00 0.00 57.88 57.53 3d4i h LEU 492 Cb 1.22 -0.13 -0.00 0.00 1.08 0.00 0.00 40.66 42.82 3d4i h LEU 492 CO 0.54 0.43 0.02 -0.33 -1.08 0.00 0.00 178.44 178.02 3d4i h GLU 493 N 0.79 0.13 -0.86 1.13 3.07 -1.98 0.22 114.58 117.07 3d4i h GLU 493 Ca 0.36 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 59.18 3d4i h GLU 493 Cb 0.37 -0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 28.22 3d4i h GLU 493 CO -0.14 0.32 0.48 0.93 -1.40 0.00 0.00 179.01 179.20 3d4i h GLU 494 N -0.08 1.19 -0.08 2.33 5.08 -1.83 0.34 114.58 121.53 3d4i h GLU 494 Ca 0.03 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 3d4i h GLU 494 Cb 0.25 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 3d4i h GLU 494 CO 0.00 0.86 0.04 -0.07 -1.00 0.00 0.00 179.01 178.83 3d4i h LEU 495 N 1.20 0.10 -0.38 1.33 3.38 -0.55 -1.01 115.31 119.38 3d4i h LEU 495 Ca 0.30 -0.13 0.05 0.00 0.09 0.00 0.00 57.88 58.20 3d4i h LEU 495 Cb 0.01 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.68 3d4i h LEU 495 CO -0.05 0.20 0.11 0.50 0.09 0.00 0.00 178.44 179.29 3d4i h LYS 496 N -0.01 0.25 -0.93 1.13 1.63 -0.21 -0.72 116.57 117.72 3d4i h LYS 496 Ca 0.03 -0.01 0.18 0.00 -0.85 0.00 0.00 60.65 59.99 3d4i h LYS 496 Cb 0.13 -0.06 -0.11 0.00 -0.60 0.00 0.00 32.23 31.59 3d4i h LYS 496 CO -0.00 0.16 0.51 0.93 -3.45 0.00 0.00 179.45 177.60 3d4i h GLU 497 N 0.26 0.62 -0.67 1.90 5.08 -0.19 -0.98 114.58 120.61 3d4i h GLU 497 Ca 0.18 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3d4i h GLU 497 Cb 0.18 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.29 3d4i h GLU 497 CO -0.20 0.41 0.00 0.00 -1.00 0.00 0.00 179.01 178.22 3d4i n ALA 498 N -2.39 2.81 -1.02 3.43 0.00 -0.39 -4.87 120.51 118.07 3d4i n ALA 498 Ca 0.21 -0.58 -0.01 0.00 0.00 0.00 0.00 53.44 53.06 3d4i n ALA 498 Cb 0.55 -1.02 -0.00 0.00 0.00 0.00 0.00 19.45 18.97 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 0.22 -3.14 -4.65 0.00 5.15 -0.37 -5.01 115.26 107.46 3d4i n ASN 499 Ca 0.09 0.02 -0.41 0.00 -0.60 0.00 0.00 54.58 53.67 3d4i n ASN 499 Cb 0.46 -0.70 -0.05 0.00 -0.53 0.00 0.00 39.78 38.96 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 -2.01 3.34 -1.47 1.20 0.08 -0.35 -4.97 117.98 113.79 3d4i s PHE 500 Ca 0.00 1.09 -0.13 0.00 0.12 0.00 0.00 56.93 58.01 3d4i s PHE 500 Cb 0.00 -2.98 0.03 0.00 -0.57 0.00 0.00 43.02 39.50 3d4i s PHE 500 CO 0.00 -0.33 2.31 -1.71 -0.10 0.00 0.00 175.22 175.39 3d4i n ASN 501 N 5.68 4.57 -4.84 1.36 5.15 -1.26 -3.55 115.26 122.35 3d4i n ASN 501 Ca 0.04 -2.82 -0.32 0.00 -0.60 0.00 0.00 54.58 50.87 3d4i n ASN 501 Cb 0.48 -1.64 -0.05 0.00 -0.53 0.00 0.00 39.78 38.04 3d4i n ASN 501 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3d4i s VAL 502 N 2.91 4.58 -0.55 3.44 -7.23 -1.26 -0.72 120.40 121.57 3d4i s VAL 502 Ca 0.50 1.11 -0.23 0.00 -1.81 0.00 0.00 61.98 61.55 3d4i s VAL 502 Cb 0.14 -3.66 0.05 0.00 0.56 0.00 0.00 36.38 33.47 3d4i s VAL 502 CO -0.08 -0.42 0.88 -0.62 -0.31 0.00 0.00 175.10 174.55 3d4i s ASP 503 N -2.63 6.30 0.48 4.85 -1.08 -0.28 -4.74 116.67 119.57 3d4i s ASP 503 Ca 0.57 -0.52 0.27 0.00 -0.52 0.00 0.00 52.55 52.36 3d4i s ASP 503 Cb -0.10 -2.41 1.12 0.00 -1.46 0.00 0.00 42.92 40.08 3d4i s ASP 503 CO 0.22 -1.18 1.90 -0.07 0.52 0.00 0.00 175.17 176.57 3d4i h LEU 504 N 10.77 0.00 -1.64 -1.34 3.38 -1.96 -3.00 115.31 121.51 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 1.07 0.15 0.00 0.47 0.09 0.00 0.00 178.44 180.22 3d4i n ASP 505 N -3.34 2.51 -4.66 -0.43 8.00 -1.26 -4.89 116.55 112.47 3d4i n ASP 505 Ca -0.00 -1.83 -0.43 0.00 0.71 0.00 0.00 54.79 53.24 3d4i n ASP 505 Cb 0.37 -0.08 -0.02 0.00 -0.02 0.00 0.00 41.12 41.36 3d4i n ASP 505 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3d4i s TYR 506 N -1.83 3.13 -0.45 1.24 5.04 -1.14 -5.00 117.35 118.34 3d4i s TYR 506 Ca 0.34 1.27 -0.19 0.00 -2.44 0.00 0.00 57.07 56.05 3d4i s TYR 506 Cb 0.20 -3.37 0.03 0.00 0.35 0.00 0.00 41.96 39.17 3d4i s TYR 506 CO 0.30 -1.03 0.55 -0.98 -1.34 0.00 0.00 175.55 173.05 3d4i s ARG 507 N 3.19 3.16 0.65 4.97 1.70 -1.26 -4.97 118.95 126.39 3d4i s ARG 507 Ca 0.50 -0.69 -0.17 0.00 -0.47 0.00 0.00 55.73 54.90 3d4i s ARG 507 Cb -0.19 -4.00 -0.00 0.00 -0.57 0.00 0.00 34.95 30.19 3d4i s ARG 507 CO 0.11 -1.01 1.20 -1.25 -1.08 0.00 0.00 175.30 173.28 3d4i s PRO 508 N 2.47 2.62 0.23 3.89 0.04 -1.26 -4.93 135.00 138.06 3d4i s PRO 508 Ca 0.16 1.77 -0.08 0.00 0.04 0.00 0.00 61.00 62.89 3d4i s PRO 508 Cb -0.17 -1.89 0.22 0.00 0.04 0.00 0.00 34.50 32.70 3d4i s PRO 508 CO 0.15 -1.47 1.89 0.00 0.04 0.00 0.00 177.00 177.61 3d4i h ALA 509 N 0.34 1.10 -3.28 8.56 0.00 -1.92 -3.39 119.26 120.66 3d4i h ALA 509 Ca -0.49 -0.05 -0.59 0.00 0.00 0.00 0.00 54.91 53.78 3d4i h ALA 509 Cb 1.29 -0.32 -0.37 0.00 0.00 0.00 0.00 17.79 18.39 3d4i h ALA 509 CO 0.53 0.45 -0.81 -1.17 0.00 0.00 0.00 179.25 178.24 3d4i s LEU 510 N -10.15 1.83 0.54 0.00 2.96 -1.26 -4.98 118.68 107.63 3d4i s LEU 510 Ca -0.13 -0.65 -0.20 0.00 -0.22 0.00 0.00 54.13 52.93 3d4i s LEU 510 Cb 0.17 -1.10 -0.05 0.00 0.50 0.00 0.00 46.19 45.70 3d4i s LEU 510 CO 0.79 -0.12 1.19 -2.84 -1.32 0.00 0.00 176.35 174.05 3d4i s PRO 511 N 1.51 3.28 0.39 0.98 0.02 -1.26 -3.57 135.00 136.36 3d4i s PRO 511 Ca 0.02 1.79 0.10 0.00 0.02 0.00 0.00 61.00 62.93 3d4i s PRO 511 Cb -0.15 -2.09 0.89 0.00 0.02 0.00 0.00 34.50 33.17 3d4i s PRO 511 CO -0.09 -0.95 1.95 0.07 -0.33 0.00 0.00 177.00 177.65 3d4i h ARG 512 N 1.30 0.57 0.00 5.54 0.11 -1.98 -0.48 114.38 119.45 3d4i h ARG 512 Ca -0.50 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 59.54 3d4i h ARG 512 Cb 1.28 -0.13 0.00 0.00 1.11 0.00 0.00 29.97 32.23 3d4i h ARG 512 CO 0.57 0.38 0.00 0.00 0.10 0.00 0.00 179.97 181.02 3d4i n SER 514 N -1.63 0.52 -4.69 0.00 7.64 -0.19 -4.87 113.62 110.40 3d4i n SER 514 Ca 0.03 -0.06 -0.42 0.00 1.01 0.00 0.00 58.87 59.43 3d4i n SER 514 Cb 0.18 0.16 -0.03 0.00 -1.01 0.00 0.00 64.21 63.51 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 -3.41 4.36 -0.22 -3.43 1.43 -1.14 -5.00 118.68 111.27 3d4i s LEU 515 Ca 0.10 2.43 -0.06 0.00 -1.03 0.00 0.00 54.13 55.57 3d4i s LEU 515 Cb 0.16 -3.57 -0.03 0.00 0.03 0.00 0.00 46.19 42.79 3d4i s LEU 515 CO 0.69 -0.85 0.04 -0.04 0.23 0.00 0.00 176.35 176.42 3d4i s MET 516 N 2.45 3.67 0.36 1.70 -1.94 -1.26 -5.01 119.30 119.27 3d4i s MET 516 Ca 0.72 -0.48 0.12 0.00 -1.71 0.00 0.00 55.69 54.34 3d4i s MET 516 Cb -0.39 -3.21 0.92 0.00 2.01 0.00 0.00 34.83 34.17 3d4i s MET 516 CO 0.31 -0.06 1.79 -1.35 -0.01 0.00 0.00 175.02 175.71 3d4i h PRO 517 N 7.77 0.56 -0.59 2.03 0.11 -1.91 -1.62 132.00 138.34 3d4i h PRO 517 Ca -0.37 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3d4i h PRO 517 Cb 1.18 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3d4i h PRO 517 CO 0.60 0.37 0.00 0.00 -0.21 0.00 0.00 178.00 178.76 3d4i n ALA 518 N -2.41 2.82 -1.70 -0.75 0.00 -1.26 -4.18 120.51 113.02 3d4i n ALA 518 Ca 0.23 -0.74 -0.44 0.00 0.00 0.00 0.00 53.44 52.49 3d4i n ALA 518 Cb 0.69 -1.02 -0.03 0.00 0.00 0.00 0.00 19.45 19.09 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 0.38 2.33 -1.65 0.00 0.28 -0.61 -4.95 120.64 116.41 3d4i n GLU 519 Ca 0.12 0.83 -0.30 0.00 -0.16 0.00 0.00 57.16 57.65 3d4i n GLU 519 Cb 0.50 -2.56 0.07 0.00 1.43 0.00 0.00 31.44 30.88 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 0.55 4.90 0.18 -1.84 1.04 -1.26 -4.59 113.70 112.68 3d4i s SER 520 Ca 0.69 1.30 -0.13 0.00 0.48 0.00 0.00 55.95 58.30 3d4i s SER 520 Cb -0.60 -2.08 0.18 0.00 0.10 0.00 0.00 66.02 63.62 3d4i s SER 520 CO 0.45 -1.71 1.72 0.22 0.98 0.00 0.00 173.24 174.90 3d4i h TYR 521 N -0.91 0.16 -0.76 5.02 3.20 -1.99 0.10 116.97 121.80 3d4i h TYR 521 Ca -0.46 0.03 0.07 0.00 3.14 0.00 0.00 58.73 61.50 3d4i h TYR 521 Cb 1.25 0.00 -0.06 0.00 1.54 0.00 0.00 36.73 39.47 3d4i h TYR 521 CO 0.50 0.00 0.44 -0.44 -1.64 0.00 0.00 178.16 177.02 3d4i h ASP 522 N 0.24 0.67 -0.45 -2.11 3.32 -2.00 -0.59 116.42 115.50 3d4i h ASP 522 Ca 0.24 0.03 -0.13 0.00 0.02 0.00 0.00 57.03 57.19 3d4i h ASP 522 Cb 0.31 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 3d4i h ASP 522 CO -0.31 0.42 -0.20 1.56 -1.72 0.00 0.00 179.24 178.99 3d4i h GLN 523 N 0.80 0.96 0.21 3.56 4.20 -1.78 -1.87 115.11 121.19 3d4i h GLN 523 Ca 0.34 -0.40 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 3d4i h GLN 523 Cb 0.21 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.95 3d4i h GLN 523 CO -0.19 1.07 -0.10 -0.92 -0.67 0.00 0.00 178.83 178.02 3d4i h TYR 524 N 0.83 -0.26 -0.33 2.96 3.20 -0.21 -1.78 116.97 121.38 3d4i h TYR 524 Ca 0.11 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.91 3d4i h TYR 524 Cb 0.77 0.09 -0.02 0.00 1.54 0.00 0.00 36.73 39.11 3d4i h TYR 524 CO 0.05 -0.15 -0.08 -0.39 -1.64 0.00 0.00 178.16 175.95 3d4i h VAL 525 N -0.30 1.22 -0.11 1.81 -1.51 -1.05 -1.99 116.25 114.32 3d4i h VAL 525 Ca -0.03 -0.96 -0.00 0.00 -1.23 0.00 0.00 66.70 64.48 3d4i h VAL 525 Cb 0.23 1.07 -0.01 0.00 -2.13 0.00 0.00 31.29 30.45 3d4i h VAL 525 CO 0.05 0.32 0.06 -0.08 -1.23 0.00 0.00 177.57 176.69 3d4i h GLU 526 N 0.50 0.15 0.00 5.19 4.57 -1.19 -1.81 114.58 122.00 3d4i h GLU 526 Ca 0.10 -0.02 -0.09 0.00 -1.18 0.00 0.00 59.36 58.17 3d4i h GLU 526 Cb 0.45 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.00 3d4i h GLU 526 CO 0.02 0.17 -0.42 0.07 -1.18 0.00 0.00 179.01 177.67 3d4i h ARG 527 N 0.09 0.00 -0.20 1.92 -0.00 -1.03 0.09 114.38 115.26 3d4i h ARG 527 Ca 0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 59.98 60.02 3d4i h ARG 527 Cb 0.06 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.02 3d4i h ARG 527 CO -0.01 0.42 0.12 0.00 -0.00 0.00 0.00 179.97 180.50 3d4i h ALA 529 N 1.03 1.03 -0.10 0.00 0.00 -0.67 -0.55 119.26 120.00 3d4i h ALA 529 Ca 0.07 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 3d4i h ALA 529 Cb 0.03 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 3d4i h ALA 529 CO -0.01 0.63 0.05 0.28 0.00 0.00 0.00 179.25 180.19 3d4i h VAL 530 N 1.14 1.11 -0.64 0.00 2.07 -0.94 -0.79 116.25 118.19 3d4i h VAL 530 Ca 0.27 -0.30 0.04 0.00 0.82 0.00 0.00 66.70 67.52 3d4i h VAL 530 Cb 0.17 1.12 -0.04 0.00 -1.52 0.00 0.00 31.29 31.02 3d4i h VAL 530 CO -0.03 0.09 0.38 0.28 0.02 0.00 0.00 177.57 178.32 3d4i h SER 531 N 0.05 0.61 -0.29 0.57 0.02 -0.99 -2.18 113.55 111.34 3d4i h SER 531 Ca 0.04 0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 60.92 3d4i h SER 531 Cb 0.10 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 3d4i h SER 531 CO -0.00 0.42 -0.06 0.24 -1.14 0.00 0.00 176.83 176.28 3d4i h MET 532 N 0.74 0.67 -0.57 3.45 2.86 -0.84 0.99 114.93 122.23 3d4i h MET 532 Ca 0.26 -0.19 0.06 0.00 -2.06 0.00 0.00 59.70 57.78 3d4i h MET 532 Cb 0.06 -0.07 -0.06 0.00 0.06 0.00 0.00 31.60 31.60 3d4i h MET 532 CO -0.12 0.74 0.27 0.78 1.06 0.00 0.00 176.91 179.63 3d4i h GLY 533 N 0.95 0.81 0.92 8.32 0.00 -0.78 -0.20 103.07 113.10 3d4i h GLY 533 Ca 0.12 -0.18 -0.11 0.00 0.00 0.00 0.00 47.33 47.16 3d4i h GLY 533 CO 0.03 0.08 -0.27 -1.61 0.00 0.00 0.00 176.54 174.76 3d4i h GLN 534 N 0.51 0.63 -0.28 4.80 4.15 -0.93 -3.12 115.11 120.87 3d4i h GLN 534 Ca 0.27 -0.34 0.04 0.00 0.77 0.00 0.00 58.65 59.39 3d4i h GLN 534 Cb 0.22 0.02 -0.04 0.00 0.21 0.00 0.00 27.48 27.89 3d4i h GLN 534 CO -0.21 0.94 0.03 0.82 -1.93 0.00 0.00 178.83 178.48 3d4i h ILE 535 N 0.34 0.84 0.00 2.39 2.04 -0.48 -0.60 117.51 122.04 3d4i h ILE 535 Ca 0.04 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.85 3d4i h ILE 535 Cb 0.84 0.70 0.00 0.00 -0.74 0.00 0.00 36.82 37.62 3d4i h ILE 535 CO 0.07 0.02 0.00 2.30 0.00 0.00 0.00 178.15 180.54 3d4i n ILE 536 N -5.12 0.00 -0.93 -0.67 -5.35 -0.12 -2.26 119.36 104.91 3d4i n ILE 536 Ca -0.01 0.00 0.09 0.00 -0.27 0.00 0.00 62.75 62.56 3d4i n ILE 536 Cb 0.13 -0.63 0.20 0.00 -1.74 0.00 0.00 39.64 37.60 3d4i n ILE 536 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 3d4i n ASN 537 N -0.97 3.19 -0.08 7.28 3.02 -0.26 -4.62 115.26 122.82 3d4i n ASN 537 Ca 0.15 -2.94 -0.11 0.00 -0.03 0.00 0.00 54.58 51.65 3d4i n ASN 537 Cb 0.07 -0.46 -0.06 0.00 -0.61 0.00 0.00 39.78 38.72 3d4i n ASN 537 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 3d4i h THR 538 N 1.08 0.46 -2.19 3.41 2.02 -1.16 -3.41 112.91 113.12 3d4i h THR 538 Ca 0.00 -1.54 -0.60 0.00 0.77 0.00 0.00 66.41 65.04 3d4i h THR 538 Cb 1.20 1.06 -0.42 0.00 -1.74 0.00 0.00 68.15 68.25 3d4i h THR 538 CO 0.12 0.16 -0.60 0.00 0.37 0.00 0.00 175.52 175.57 3d4i n PRO 540 N 0.86 0.53 -0.08 0.00 -0.04 -1.26 -2.52 135.00 132.48 3d4i n PRO 540 Ca 0.30 0.04 -0.14 0.00 -0.04 0.00 0.00 63.50 63.65 3d4i n PRO 540 Cb 0.41 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.28 3d4i n PRO 540 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 3d4i h GLN 541 N 0.00 0.00 -6.59 0.54 4.20 -1.96 -3.47 115.11 107.83 3d4i h GLN 541 Ca 0.00 0.00 -0.59 0.00 0.06 0.00 0.00 58.65 58.12 3d4i h GLN 541 Cb 0.12 0.00 0.13 0.00 0.30 0.00 0.00 27.48 28.03 3d4i h GLN 541 CO 0.00 0.77 0.14 -0.25 -0.67 0.00 0.00 178.83 178.82 3d4i n ASP 542 N -4.56 1.24 -2.60 1.46 8.00 -1.05 -4.97 116.55 114.07 3d4i n ASP 542 Ca -0.17 1.08 -0.10 0.00 0.71 0.00 0.00 54.79 56.31 3d4i n ASP 542 Cb 0.48 -1.33 0.03 0.00 -0.02 0.00 0.00 41.12 40.28 3d4i n ASP 542 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 3d4i n MET 543 N 0.36 2.11 0.00 -1.24 2.81 -1.26 -5.00 117.12 114.88 3d4i n MET 543 Ca 0.09 -3.67 0.00 0.00 -1.81 0.00 0.00 57.70 52.31 3d4i n MET 543 Cb 0.37 -1.71 0.00 0.00 -0.71 0.00 0.00 33.22 31.17 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 -0.47 1.77 3.76 3.03 0.00 -1.26 -4.33 105.19 107.69 3d4i n GLY 544 Ca 0.18 -1.87 -0.35 0.00 0.00 0.00 0.00 46.02 43.97 3d4i n GLY 544 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3d4i s ILE 545 N 2.54 4.75 -0.22 -0.61 -4.36 0.20 -2.13 121.20 121.37 3d4i s ILE 545 Ca 0.00 -0.14 -0.10 0.00 -0.26 0.00 0.00 60.65 60.15 3d4i s ILE 545 Cb 0.00 -3.05 -0.05 0.00 1.25 0.00 0.00 42.46 40.61 3d4i s ILE 545 CO 0.00 0.57 0.15 -0.89 0.24 0.00 0.00 174.94 175.00 3d4i s THR 546 N -0.98 5.39 0.00 8.37 2.01 0.20 -1.18 115.64 129.45 3d4i s THR 546 Ca 0.15 0.19 -0.21 0.00 0.31 0.00 0.00 61.69 62.14 3d4i s THR 546 Cb -0.12 -3.49 -0.05 0.00 0.01 0.00 0.00 72.50 68.85 3d4i s THR 546 CO 0.05 0.40 0.60 -0.76 -0.69 0.00 0.00 174.62 174.22 3d4i s LEU 547 N 0.65 4.42 -0.31 4.42 1.02 -0.26 -0.97 118.68 127.65 3d4i s LEU 547 Ca 0.08 1.18 0.03 0.00 0.02 0.00 0.00 54.13 55.44 3d4i s LEU 547 Cb -0.12 -2.93 0.08 0.00 0.02 0.00 0.00 46.19 43.24 3d4i s LEU 547 CO 0.01 0.10 -0.01 -0.63 0.02 0.00 0.00 176.35 175.84 3d4i s ILE 548 N -0.22 2.15 -0.35 -0.59 -1.09 -0.16 -0.33 121.20 120.62 3d4i s ILE 548 Ca 0.31 -2.01 -0.14 0.00 -2.23 0.00 0.00 60.65 56.58 3d4i s ILE 548 Cb -0.18 -2.46 -0.01 0.00 -1.58 0.00 0.00 42.46 38.22 3d4i s ILE 548 CO 0.17 -0.38 0.30 -0.69 -1.23 0.00 0.00 174.94 173.11 3d4i s VAL 549 N 1.02 5.23 0.00 2.92 1.01 0.76 -0.70 120.40 130.64 3d4i s VAL 549 Ca 0.03 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 61.87 3d4i s VAL 549 Cb -0.19 -3.79 0.00 0.00 0.00 0.00 0.00 36.38 32.40 3d4i s VAL 549 CO -0.08 -0.08 0.00 -0.24 0.00 0.00 0.00 175.10 174.70 3d4i n SER 550 N 5.24 0.70 -4.93 3.32 2.88 -0.23 -1.49 113.62 119.11 3d4i n SER 550 Ca -0.11 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.24 3d4i n SER 550 Cb 0.49 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.94 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 -0.44 2.83 0.22 0.66 3.76 -1.26 -1.65 115.29 119.41 3d4i s HIS 551 Ca 0.00 -0.39 -0.08 0.00 -0.15 0.00 0.00 55.06 54.44 3d4i s HIS 551 Cb 0.00 -2.14 0.35 0.00 1.11 0.00 0.00 32.58 31.90 3d4i s HIS 551 CO 0.00 -0.13 1.70 0.77 -0.85 0.00 0.00 174.74 176.23 3d4i h SER 552 N 0.94 0.02 -0.98 1.40 0.02 -1.94 -1.53 113.55 111.48 3d4i h SER 552 Ca -0.42 0.12 0.19 0.00 -0.84 0.00 0.00 61.79 60.84 3d4i h SER 552 Cb 1.27 0.16 -0.09 0.00 0.14 0.00 0.00 62.40 63.87 3d4i h SER 552 CO 0.53 0.00 0.61 0.77 -1.14 0.00 0.00 176.83 177.61 3d4i h SER 553 N 0.28 0.69 -0.02 3.07 4.64 -1.95 -2.17 113.55 118.08 3d4i h SER 553 Ca 0.35 0.08 -0.01 0.00 -0.47 0.00 0.00 61.79 61.74 3d4i h SER 553 Cb 0.54 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.57 3d4i h SER 553 CO -0.43 0.26 0.00 0.00 -0.87 0.00 0.00 176.83 175.79 3d4i h ALA 554 N 1.62 1.92 0.00 5.18 0.00 -1.63 -1.81 119.26 124.54 3d4i h ALA 554 Ca 0.54 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.41 3d4i h ALA 554 Cb 0.95 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 3d4i h ALA 554 CO -0.31 0.07 -0.06 -0.07 0.00 0.00 0.00 179.25 178.88 3d4i h LEU 555 N 0.06 0.00 0.00 0.00 4.07 -1.48 0.76 115.31 118.72 3d4i h LEU 555 Ca 0.02 0.00 -0.15 0.00 0.08 0.00 0.00 57.88 57.82 3d4i h LEU 555 Cb 0.04 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.76 3d4i h LEU 555 CO 0.00 0.06 -1.20 -0.67 -1.08 0.00 0.00 178.44 175.55 3d4i n ASP 556 N -3.39 1.88 0.23 -0.43 2.03 -1.05 -4.23 116.55 111.59 3d4i n ASP 556 Ca -0.02 0.46 0.10 0.00 0.52 0.00 0.00 54.79 55.86 3d4i n ASP 556 Cb 0.20 -0.86 0.55 0.00 -0.72 0.00 0.00 41.12 40.29 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 0.17 1.67 4.64 -1.22 -1.90 113.55 115.91 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 0.21 -0.53 0.00 -0.87 0.00 0.00 176.83 175.50 3d4i n THR 559 N -0.85 1.15 -0.32 0.00 -2.24 -1.05 -4.53 114.28 106.44 3d4i n THR 559 Ca 0.08 -0.41 0.09 0.00 -2.27 0.00 0.00 64.05 61.54 3d4i n THR 559 Cb 0.37 -1.32 0.25 0.00 -2.10 0.00 0.00 70.33 67.53 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 -0.16 0.70 -0.76 -0.78 3.08 -1.58 -0.56 114.38 114.32 3d4i h ARG 560 Ca -0.46 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 59.54 3d4i h ARG 560 Cb 1.65 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 31.50 3d4i h ARG 560 CO -0.12 0.46 0.46 -1.35 -1.07 0.00 0.00 179.97 178.35 3d4i h PRO 561 N 0.72 1.04 -0.89 0.04 0.11 -1.77 -1.22 132.00 130.02 3d4i h PRO 561 Ca 0.50 -0.10 0.02 0.00 0.11 0.00 0.00 66.00 66.53 3d4i h PRO 561 Cb 0.70 -0.22 -0.05 0.00 0.11 0.00 0.00 31.00 31.55 3d4i h PRO 561 CO -0.35 0.74 0.59 -0.07 -0.21 0.00 0.00 178.00 178.69 3d4i h LEU 562 N 1.04 1.00 0.00 2.35 4.07 -1.40 -2.48 115.31 119.90 3d4i h LEU 562 Ca 0.27 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 58.21 3d4i h LEU 562 Cb -0.03 -0.25 0.00 0.00 1.08 0.00 0.00 40.66 41.46 3d4i h LEU 562 CO -0.05 0.72 0.00 0.18 -1.08 0.00 0.00 178.44 178.21 3d4i n LEU 563 N -4.41 0.00 -1.80 1.67 4.77 -0.44 -4.29 117.00 112.50 3d4i n LEU 563 Ca 0.11 0.43 -0.11 0.00 -0.03 0.00 0.00 56.01 56.40 3d4i n LEU 563 Cb 0.04 -0.43 0.03 0.00 -2.33 0.00 0.00 43.42 40.73 3d4i n LEU 563 CO 0.36 -0.01 0.07 0.61 -1.33 0.00 0.00 177.39 177.09 3d4i n GLY 564 N 1.37 0.18 3.74 -0.72 0.00 -0.75 -4.91 105.19 104.10 3d4i n GLY 564 Ca 0.09 -0.28 -0.29 0.00 0.00 0.00 0.00 46.02 45.54 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 -3.78 3.65 0.61 0.99 1.43 -0.54 -5.06 118.68 115.99 3d4i s LEU 565 Ca 0.22 -0.12 -0.11 0.00 -1.03 0.00 0.00 54.13 53.09 3d4i s LEU 565 Cb -0.10 -2.34 -0.04 0.00 0.03 0.00 0.00 46.19 43.74 3d4i s LEU 565 CO 0.27 0.15 1.02 -2.16 0.23 0.00 0.00 176.35 175.87 3d4i s PRO 566 N -2.53 3.63 0.43 1.29 0.04 -1.26 -4.44 135.00 132.16 3d4i s PRO 566 Ca 0.28 0.77 -0.23 0.00 0.04 0.00 0.00 61.00 61.85 3d4i s PRO 566 Cb -0.11 -2.09 -0.11 0.00 0.04 0.00 0.00 34.50 32.23 3d4i s PRO 566 CO 0.21 -0.54 0.88 -2.30 0.04 0.00 0.00 177.00 175.29 3d4i n PRO 567 N -2.64 1.10 -1.10 0.56 -0.02 -1.26 -4.97 135.00 126.66 3d4i n PRO 567 Ca 0.06 0.40 -0.32 0.00 -2.02 0.00 0.00 63.50 61.62 3d4i n PRO 567 Cb 0.54 -1.90 0.12 0.00 -0.02 0.00 0.00 33.50 32.24 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 -1.95 1.73 0.26 -0.52 0.52 -1.26 -4.97 118.95 112.75 3d4i s ARG 568 Ca 0.64 1.52 -0.30 0.00 -0.52 0.00 0.00 55.73 57.07 3d4i s ARG 568 Cb -0.56 -1.81 -0.10 0.00 0.52 0.00 0.00 34.95 33.00 3d4i s ARG 568 CO 0.56 -2.10 1.39 -2.00 0.02 0.00 0.00 175.30 173.17 3d4i s GLU 569 N -4.46 4.31 0.29 3.54 -6.30 -1.26 -4.82 118.70 110.00 3d4i s GLU 569 Ca 0.68 2.24 0.03 0.00 -2.50 0.00 0.00 54.97 55.41 3d4i s GLU 569 Cb -0.23 -3.11 0.74 0.00 0.00 0.00 0.00 34.13 31.52 3d4i s GLU 569 CO 0.53 -0.34 1.63 0.00 0.02 0.00 0.00 175.26 177.09 3d4i h GLY 571 N 0.14 1.23 1.23 0.00 0.00 -2.00 -1.23 103.07 102.45 3d4i h GLY 571 Ca 0.57 -0.69 -0.16 0.00 0.00 0.00 0.00 47.33 47.06 3d4i h GLY 571 CO -0.72 0.65 -0.40 -1.80 0.00 0.00 0.00 176.54 174.26 3d4i h ASP 572 N 1.11 0.89 -0.01 0.19 3.58 -1.59 -2.06 116.42 118.53 3d4i h ASP 572 Ca 0.25 -0.41 0.02 0.00 0.42 0.00 0.00 57.03 57.31 3d4i h ASP 572 Cb 0.24 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 41.01 3d4i h ASP 572 CO -0.02 1.18 -0.11 0.15 -2.88 0.00 0.00 179.24 177.57 3d4i h PHE 573 N 0.68 -0.27 -0.62 0.28 3.57 -0.94 -1.07 116.94 118.58 3d4i h PHE 573 Ca 0.05 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.52 3d4i h PHE 573 Cb 0.98 0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.81 3d4i h PHE 573 CO 0.06 -0.16 0.21 0.00 -2.23 0.00 0.00 178.31 176.18 3d4i h ALA 574 N 0.81 1.20 -0.29 2.41 0.00 -1.20 0.23 119.26 122.41 3d4i h ALA 574 Ca 0.04 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.77 3d4i h ALA 574 Cb 0.23 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3d4i h ALA 574 CO -0.11 0.57 0.18 0.37 0.00 0.00 0.00 179.25 180.25 3d4i h GLN 575 N 0.90 0.36 -0.21 0.00 5.75 -1.22 -2.82 115.11 117.87 3d4i h GLN 575 Ca 0.21 -0.02 -0.04 0.00 -0.15 0.00 0.00 58.65 58.65 3d4i h GLN 575 Cb 0.24 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.70 3d4i h GLN 575 CO -0.01 0.24 -0.02 1.25 -2.65 0.00 0.00 178.83 177.64 3d4i h LEU 576 N 0.37 0.37 -0.57 -2.39 6.46 -0.45 -3.23 115.31 115.87 3d4i h LEU 576 Ca 0.11 -0.33 0.12 0.00 -0.12 0.00 0.00 57.88 57.66 3d4i h LEU 576 Cb -0.02 -0.10 -0.11 0.00 -0.73 0.00 0.00 40.66 39.70 3d4i h LEU 576 CO -0.04 0.61 -0.11 0.58 -0.62 0.00 0.00 178.44 178.87 3d4i h VAL 577 N 0.12 0.45 -1.44 1.05 2.07 -0.98 -1.71 116.25 115.82 3d4i h VAL 577 Ca 0.06 -0.01 0.42 0.00 0.82 0.00 0.00 66.70 67.98 3d4i h VAL 577 Cb 0.43 0.42 -0.06 0.00 -1.52 0.00 0.00 31.29 30.56 3d4i h VAL 577 CO 0.01 0.00 1.03 -0.09 0.02 0.00 0.00 177.57 178.55 3d4i h ARG 578 N 0.03 0.01 -0.00 1.57 2.43 -1.51 -2.72 114.38 114.19 3d4i h ARG 578 Ca 0.28 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.45 3d4i h ARG 578 Cb 0.44 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 3d4i h ARG 578 CO -0.57 0.01 -0.74 1.63 -1.51 0.00 0.00 179.97 178.79 3d4i n LYS 579 N -4.12 0.17 -2.45 0.20 5.02 -0.64 -4.93 118.16 111.40 3d4i n LYS 579 Ca 0.32 -0.12 -0.42 0.00 -2.02 0.00 0.00 58.31 56.06 3d4i n LYS 579 Cb 1.49 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 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 4.25 0.79 -0.18 -1.09 -1.03 -5.03 121.20 116.00 3d4i s ILE 580 Ca 0.11 1.57 -0.10 0.00 -2.23 0.00 0.00 60.65 60.00 3d4i s ILE 580 Cb 0.17 -4.01 0.09 0.00 -1.58 0.00 0.00 42.46 37.13 3d4i s ILE 580 CO 0.76 -0.02 1.14 -2.16 -1.23 0.00 0.00 174.94 173.44 3d4i s PRO 581 N 2.38 1.83 0.29 2.79 0.04 -1.26 -4.92 135.00 136.16 3d4i s PRO 581 Ca 0.56 -0.13 -0.30 0.00 0.04 0.00 0.00 61.00 61.17 3d4i s PRO 581 Cb -0.24 -2.02 -0.12 0.00 0.04 0.00 0.00 34.50 32.15 3d4i s PRO 581 CO 0.21 -1.60 1.41 0.43 0.04 0.00 0.00 177.00 177.49 3d4i n SER 582 N -3.24 3.05 -0.96 6.66 7.64 -1.26 -0.77 113.62 124.74 3d4i n SER 582 Ca 0.09 1.17 -0.13 0.00 1.01 0.00 0.00 58.87 61.02 3d4i n SER 582 Cb 0.61 -1.49 -0.05 0.00 -1.01 0.00 0.00 64.21 62.26 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 1.58 -0.60 -4.75 -3.43 7.99 -0.84 -4.90 117.00 112.06 3d4i n LEU 583 Ca 0.08 0.31 -0.38 0.00 -0.01 0.00 0.00 56.01 56.01 3d4i n LEU 583 Cb 0.35 -2.55 0.04 0.00 -0.11 0.00 0.00 43.42 41.14 3d4i n LEU 583 CO 0.63 -0.97 0.99 -0.83 -1.51 0.00 0.00 177.39 175.69 3d4i s GLY 584 N -2.52 2.89 0.05 -0.72 0.00 0.05 -4.68 107.32 102.38 3d4i s GLY 584 Ca 0.00 1.34 0.04 0.00 0.00 0.00 0.00 44.72 46.10 3d4i s GLY 584 CO 0.00 1.86 -0.12 1.06 0.00 0.00 0.00 173.10 175.90 3d4i s MET 585 N -2.88 0.74 -0.08 2.90 -1.94 -1.26 -1.43 119.30 115.36 3d4i s MET 585 Ca 0.71 -0.80 0.03 0.00 -1.71 0.00 0.00 55.69 53.92 3d4i s MET 585 Cb -0.40 -0.69 0.01 0.00 2.01 0.00 0.00 34.83 35.76 3d4i s MET 585 CO 0.48 0.16 -0.17 0.00 -0.01 0.00 0.00 175.02 175.47 3d4i s PHE 587 N 0.47 2.38 -0.07 0.00 5.36 -1.26 -0.26 117.98 124.61 3d4i s PHE 587 Ca -0.15 -1.17 0.05 0.00 -0.96 0.00 0.00 56.93 54.71 3d4i s PHE 587 Cb -0.16 -1.65 -0.01 0.00 -0.34 0.00 0.00 43.02 40.86 3d4i s PHE 587 CO 0.06 -0.55 -0.24 0.00 -1.46 0.00 0.00 175.22 173.02 3d4i s GLU 589 N 0.01 2.33 -0.20 0.00 2.02 -0.33 -0.44 118.70 122.09 3d4i s GLU 589 Ca -0.08 -0.81 -0.18 0.00 0.02 0.00 0.00 54.97 53.91 3d4i s GLU 589 Cb -0.15 -2.28 -0.03 0.00 0.10 0.00 0.00 34.13 31.77 3d4i s GLU 589 CO 0.05 0.59 0.51 -2.00 0.02 0.00 0.00 175.26 174.43 3d4i s GLU 590 N -0.95 4.19 -0.22 1.61 2.12 -0.02 -1.23 118.70 124.19 3d4i s GLU 590 Ca 0.12 0.40 -0.29 0.00 0.36 0.00 0.00 54.97 55.57 3d4i s GLU 590 Cb -0.11 -3.56 -0.02 0.00 0.26 0.00 0.00 34.13 30.71 3d4i s GLU 590 CO 0.02 -0.13 1.50 1.21 -0.54 0.00 0.00 175.26 177.32 3d4i s ASN 591 N 1.13 6.53 0.22 -1.70 3.84 0.37 -4.21 114.94 121.13 3d4i s ASN 591 Ca 0.24 1.57 -0.08 0.00 0.21 0.00 0.00 52.86 54.80 3d4i s ASN 591 Cb -0.15 -2.53 0.29 0.00 -0.55 0.00 0.00 41.25 38.30 3d4i s ASN 591 CO 0.10 -1.14 1.81 0.08 -2.79 0.00 0.00 177.10 175.16 3d4i h ARG 592 N 10.01 0.72 -0.31 0.43 -0.00 -1.96 0.23 114.38 123.50 3d4i h ARG 592 Ca -0.31 -0.04 -0.03 0.00 -0.00 0.00 0.00 59.98 59.59 3d4i h ARG 592 Cb 1.14 -0.16 -0.01 0.00 -0.00 0.00 0.00 29.97 30.93 3d4i h ARG 592 CO 1.00 0.48 0.08 0.93 -0.00 0.00 0.00 179.97 182.46 3d4i h GLU 593 N 0.74 0.50 -0.00 0.08 5.08 -1.98 -3.36 114.58 115.64 3d4i h GLU 593 Ca 0.33 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 3d4i h GLU 593 Cb 0.23 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.41 3d4i h GLU 593 CO -0.20 0.57 -0.12 -0.40 -1.00 0.00 0.00 179.01 177.86 3d4i n ASP 594 N -4.66 0.84 0.00 1.42 5.75 -1.18 -5.02 116.55 113.71 3d4i n ASP 594 Ca -0.02 -0.92 0.00 0.00 -0.01 0.00 0.00 54.79 53.84 3d4i n ASP 594 Cb 0.19 0.50 0.00 0.00 -1.03 0.00 0.00 41.12 40.78 3d4i n ASP 594 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3d4i n GLY 595 N 0.72 0.59 3.86 6.12 0.00 0.80 -5.01 105.19 112.26 3d4i n GLY 595 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 3d4i n GLY 595 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3d4i s LYS 596 N -0.34 3.93 -0.05 1.61 -2.85 -1.25 -4.76 119.74 116.04 3d4i s LYS 596 Ca 0.00 0.56 -0.03 0.00 -1.00 0.00 0.00 55.97 55.50 3d4i s LYS 596 Cb 0.00 -2.47 -0.04 0.00 -2.06 0.00 0.00 37.83 33.26 3d4i s LYS 596 CO 0.00 0.17 0.10 -1.58 0.10 0.00 0.00 175.35 174.15 3d4i s TRP 597 N -1.99 3.40 0.06 1.78 0.52 -1.26 -0.48 118.94 120.97 3d4i s TRP 597 Ca 0.52 0.32 0.05 0.00 0.02 0.00 0.00 56.10 57.01 3d4i s TRP 597 Cb -0.10 -1.82 -0.03 0.00 -1.15 0.00 0.00 33.47 30.37 3d4i s TRP 597 CO 0.20 0.61 -0.14 -0.51 0.02 0.00 0.00 176.95 177.13 3d4i s ASP 598 N -1.46 1.59 0.10 2.95 1.01 -0.37 -4.70 116.67 115.78 3d4i s ASP 598 Ca 0.20 -0.57 -0.30 0.00 0.71 0.00 0.00 52.55 52.59 3d4i s ASP 598 Cb -0.12 -0.06 -0.06 0.00 1.01 0.00 0.00 42.92 43.69 3d4i s ASP 598 CO 0.10 -0.06 1.16 -0.76 0.21 0.00 0.00 175.17 175.82 3d4i s LEU 599 N -1.57 4.41 0.07 1.23 1.43 -1.26 -1.19 118.68 121.79 3d4i s LEU 599 Ca -0.02 2.03 0.04 0.00 -1.03 0.00 0.00 54.13 55.15 3d4i s LEU 599 Cb -0.09 -3.59 -0.03 0.00 0.03 0.00 0.00 46.19 42.51 3d4i s LEU 599 CO 0.02 -0.38 -0.11 -0.69 0.23 0.00 0.00 176.35 175.41 3d4i s VAL 600 N 0.63 0.88 0.16 -1.59 1.01 -0.18 -4.95 120.40 116.36 3d4i s VAL 600 Ca 0.55 -1.32 -0.34 0.00 0.00 0.00 0.00 61.98 60.88 3d4i s VAL 600 Cb -0.29 -0.99 -0.14 0.00 0.00 0.00 0.00 36.38 34.95 3d4i s VAL 600 CO 0.31 -0.36 1.52 0.59 0.00 0.00 0.00 175.10 177.15 3d4i n ASN 601 N 1.15 2.82 -4.72 3.32 3.02 -1.26 -4.11 115.26 115.49 3d4i n ASN 601 Ca -0.20 1.10 -0.33 0.00 -0.03 0.00 0.00 54.58 55.12 3d4i n ASN 601 Cb 0.55 -1.39 0.11 0.00 -0.61 0.00 0.00 39.78 38.44 3d4i n ASN 601 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 3d4i s PRO 602 N 0.67 1.87 0.00 3.52 0.02 -1.26 -4.89 135.00 134.93 3d4i s PRO 602 Ca 0.78 1.55 0.30 0.00 0.02 0.00 0.00 61.00 63.66 3d4i s PRO 602 Cb -0.72 -1.82 1.72 0.00 0.02 0.00 0.00 34.50 33.70 3d4i s PRO 602 CO 0.41 -2.00 2.12 -0.35 -0.33 0.00 0.00 177.00 176.85 3d4i n PRO 603 N -3.31 0.79 -4.99 5.54 -0.04 -1.26 -4.70 135.00 127.03 3d4i n PRO 603 Ca 0.12 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.31 3d4i n PRO 603 Cb 0.51 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.31 3d4i n PRO 603 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3d4i s VAL 604 N -2.19 1.63 0.96 0.52 0.11 -1.26 -4.78 120.40 115.39 3d4i s VAL 604 Ca 0.40 -0.85 -0.11 0.00 -2.93 0.00 0.00 61.98 58.49 3d4i s VAL 604 Cb 0.21 -1.38 0.17 0.00 -1.53 0.00 0.00 36.38 33.85 3d4i s VAL 604 CO 0.39 0.46 1.09 -0.54 -3.33 0.00 0.00 175.10 173.17 3d4i s LYS 605 N -0.19 0.72 0.77 1.54 1.02 -1.26 -5.03 119.74 117.31 3d4i s LYS 605 Ca 0.00 1.09 -0.12 0.00 0.02 0.00 0.00 55.97 56.96 3d4i s LYS 605 Cb -0.11 -1.73 0.06 0.00 -0.52 0.00 0.00 37.83 35.53 3d4i s LYS 605 CO 0.01 -2.69 1.12 -0.08 -0.92 0.00 0.00 175.35 172.80 3d4i s THR 606 N -2.72 2.93 -0.24 2.17 -1.32 -1.26 -5.05 115.64 110.15 3d4i s THR 606 Ca 0.65 0.35 0.01 0.00 -1.21 0.00 0.00 61.69 61.50 3d4i s THR 606 Cb -0.21 -2.77 0.06 0.00 -1.51 0.00 0.00 72.50 68.07 3d4i s THR 606 CO 0.59 -0.35 -0.07 -0.22 -2.21 0.00 0.00 174.62 172.36 3d4i s LEU 607 N -5.70 2.73 -0.23 9.08 2.96 -1.26 -5.11 118.68 121.16 3d4i s LEU 607 Ca 0.65 -1.19 0.01 0.00 -0.22 0.00 0.00 54.13 53.38 3d4i s LEU 607 Cb -0.21 -1.26 0.04 0.00 0.50 0.00 0.00 46.19 45.26 3d4i s LEU 607 CO 0.51 -0.22 -0.14 -0.89 -1.32 0.00 0.00 176.35 174.30 3d4i s THR 608 N 1.33 2.26 0.16 3.68 2.01 -1.26 -4.98 115.64 118.84 3d4i s THR 608 Ca -0.06 -1.24 -0.01 0.00 0.31 0.00 0.00 61.69 60.69 3d4i s THR 608 Cb -0.19 -2.14 -0.04 0.00 0.01 0.00 0.00 72.50 70.14 3d4i s THR 608 CO -0.06 0.24 0.09 -1.38 -0.69 0.00 0.00 174.62 172.83 3d4i s HIS 609 N 1.22 0.97 0.70 4.92 -3.43 -1.26 -5.17 115.29 113.25 3d4i s HIS 609 Ca -0.02 -1.28 -0.02 0.00 -0.80 0.00 0.00 55.06 52.94 3d4i s HIS 609 Cb -0.17 -0.50 0.10 0.00 -1.43 0.00 0.00 32.58 30.59 3d4i s HIS 609 CO -0.08 -0.58 0.97 0.20 -2.00 0.00 0.00 174.74 173.25 3d4i s GLY 610 N -3.09 1.77 0.86 -1.38 0.00 -1.26 -5.11 107.32 99.10 3d4i s GLY 610 Ca 0.30 -1.50 -0.11 0.00 0.00 0.00 0.00 44.72 43.41 3d4i s GLY 610 CO 0.06 -1.01 1.20 0.00 0.00 0.00 0.00 173.10 173.35 3d4i s ALA 611 N -3.12 2.71 -0.06 3.20 0.00 -1.26 -5.10 121.76 118.13 3d4i s ALA 611 Ca 0.64 -1.18 -0.02 0.00 0.00 0.00 0.00 51.96 51.39 3d4i s ALA 611 Cb -0.07 -2.63 0.04 0.00 0.00 0.00 0.00 23.12 20.45 3d4i s ALA 611 CO 0.44 -1.98 0.08 1.21 0.00 0.00 0.00 175.76 175.51 3d4i s ASN 612 N -4.76 1.14 0.50 0.00 3.04 -1.26 -5.15 114.94 108.45 3d4i s ASN 612 Ca 0.69 0.09 -0.13 0.00 0.04 0.00 0.00 52.86 53.54 3d4i s ASN 612 Cb -0.06 -0.07 -0.07 0.00 -1.54 0.00 0.00 41.25 39.52 3d4i s ASN 612 CO 0.50 -0.26 0.92 -0.94 -3.04 0.00 0.00 177.10 174.28 3d4i s SER 613 N 2.19 6.50 0.66 -4.21 1.04 -1.26 -5.04 113.70 113.59 3d4i s SER 613 Ca 0.05 1.39 -0.17 0.00 0.48 0.00 0.00 55.95 57.69 3d4i s SER 613 Cb -0.12 -2.44 -0.00 0.00 0.10 0.00 0.00 66.02 63.56 3d4i s SER 613 CO -0.04 -0.59 1.26 0.54 0.98 0.00 0.00 173.24 175.39 3d4i s VAL 614 N -2.66 2.20 -0.24 5.02 0.11 -1.26 -5.05 120.40 118.52 3d4i s VAL 614 Ca 0.55 0.12 -0.15 0.00 -2.93 0.00 0.00 61.98 59.57 3d4i s VAL 614 Cb -0.10 -2.94 0.07 0.00 -1.53 0.00 0.00 36.38 31.87 3d4i s VAL 614 CO 0.36 -0.03 0.59 0.12 -3.33 0.00 0.00 175.10 172.81 3d4i s PHE 615 N -1.59 -0.85 -0.10 1.54 5.36 -1.26 -5.12 117.98 115.97 3d4i s PHE 615 Ca 0.80 1.78 -0.03 0.00 -0.96 0.00 0.00 56.93 58.52 3d4i s PHE 615 Cb -0.34 0.44 0.04 0.00 -0.34 0.00 0.00 43.02 42.82 3d4i s PHE 615 CO 0.40 -0.43 0.06 1.21 -1.46 0.00 0.00 175.22 175.00 3d4i s ASN 616 N 1.27 1.68 0.11 6.13 2.47 -1.26 -5.07 114.94 120.28 3d4i s ASN 616 Ca -0.08 -0.22 -0.17 0.00 0.42 0.00 0.00 52.86 52.82 3d4i s ASN 616 Cb -0.06 -0.23 -0.04 0.00 -1.45 0.00 0.00 41.25 39.48 3d4i s ASN 616 CO -0.13 -0.28 1.60 -0.25 -3.72 0.00 0.00 177.10 174.32 3d4i h TRP 617 N 8.41 0.60 -0.78 0.43 2.91 -2.00 -1.30 115.95 124.23 3d4i h TRP 617 Ca -0.14 -0.08 0.04 0.00 1.13 0.00 0.00 58.89 59.84 3d4i h TRP 617 Cb 1.13 -0.17 -0.05 0.00 -0.51 0.00 0.00 29.16 29.57 3d4i h TRP 617 CO 0.36 0.61 0.49 0.00 -1.03 0.00 0.00 178.44 178.87 3d4i h ARG 618 N 0.41 0.91 0.00 2.65 3.08 -2.01 -1.19 114.38 118.22 3d4i h ARG 618 Ca 0.11 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 60.04 3d4i h ARG 618 Cb 0.32 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 3d4i h ARG 618 CO 0.00 0.60 -0.30 -0.91 -1.07 0.00 0.00 179.97 178.30 3d4i h ASN 619 N 0.94 0.00 0.96 7.04 4.21 -1.98 -3.06 115.58 123.69 3d4i h ASN 619 Ca 0.32 0.00 -0.11 0.00 1.21 0.00 0.00 56.30 57.72 3d4i h ASN 619 Cb 0.05 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.24 3d4i h ASN 619 CO -0.13 0.30 -0.51 -0.25 -1.29 0.00 0.00 177.43 175.55 3d4i h TRP 620 N 0.00 0.00 0.00 1.19 -0.00 -0.10 -3.50 115.95 113.53 3d4i h TRP 620 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.89 3d4i h TRP 620 Cb 0.91 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.07 3d4i h TRP 620 CO 0.00 0.51 0.00 -0.89 -0.00 0.00 0.00 178.44 178.06