#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i5a h SER 353 N 0.00 -0.03 -2.46 1.61 0.87 -2.02 -3.40 113.55 108.12 1i5a h SER 353 Ca 0.00 0.00 -0.72 0.00 -1.23 0.00 0.00 61.79 59.84 1i5a h SER 353 Cb 0.00 0.01 -0.33 0.00 -0.44 0.00 0.00 62.40 61.63 1i5a h SER 353 CO 0.00 -0.02 0.29 1.41 -0.53 0.00 0.00 176.83 177.99 1i5a n HIS 354 N -2.12 3.02 -2.43 2.24 -0.00 -1.26 -5.04 115.22 109.62 1i5a n HIS 354 Ca -0.00 -3.17 -0.37 0.00 -0.00 0.00 0.00 57.72 54.17 1i5a n HIS 354 Cb 0.01 -0.95 -0.03 0.00 -0.00 0.00 0.00 29.99 29.03 1i5a n HIS 354 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 1i5a s MET 355 N -3.27 4.14 -0.10 -0.41 1.00 -1.26 -1.24 119.30 118.16 1i5a s MET 355 Ca 0.38 1.67 -0.18 0.00 0.00 0.00 0.00 55.69 57.56 1i5a s MET 355 Cb 0.15 -2.64 0.04 0.00 0.00 0.00 0.00 34.83 32.38 1i5a s MET 355 CO -0.03 -0.20 0.44 0.14 0.00 0.00 0.00 175.02 175.37 1i5a s VAL 356 N -1.52 0.02 0.40 -6.03 -7.23 -0.95 -4.87 120.40 100.22 1i5a s VAL 356 Ca 0.57 -0.17 -0.27 0.00 -1.81 0.00 0.00 61.98 60.30 1i5a s VAL 356 Cb -0.26 -0.68 -0.10 0.00 0.56 0.00 0.00 36.38 35.89 1i5a s VAL 356 CO 0.33 -0.09 1.44 -0.81 -0.31 0.00 0.00 175.10 175.65 1i5a n PRO 357 N 1.99 2.45 0.00 4.82 -0.04 -1.26 -2.17 135.00 140.80 1i5a n PRO 357 Ca -0.17 0.86 0.04 0.00 -0.04 0.00 0.00 63.50 64.19 1i5a n PRO 357 Cb 0.57 -2.60 0.18 0.00 -0.04 0.00 0.00 33.50 31.61 1i5a n PRO 357 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 1i5a n ILE 358 N 0.20 1.26 0.29 0.52 3.06 0.84 -1.75 119.36 123.78 1i5a n ILE 358 Ca 0.03 0.31 0.16 0.00 -2.50 0.00 0.00 62.75 60.76 1i5a n ILE 358 Cb 0.39 -1.17 0.90 0.00 0.54 0.00 0.00 39.64 40.30 1i5a n ILE 358 CO 0.00 0.00 0.00 0.77 -2.50 0.00 0.00 176.55 174.82 1i5a h SER 359 N 0.00 0.00 0.20 9.51 4.64 -1.67 -0.44 113.55 125.79 1i5a h SER 359 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1i5a h SER 359 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1i5a h SER 359 CO 0.00 0.04 0.00 -0.26 -0.87 0.00 0.00 176.83 175.74 1i5a h PHE 360 N 0.00 0.00 0.00 4.77 -1.00 -1.65 -2.29 116.94 116.76 1i5a h PHE 360 Ca -0.00 0.00 -0.10 0.00 2.81 0.00 0.00 57.97 60.68 1i5a h PHE 360 Cb 0.15 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.70 1i5a h PHE 360 CO 0.00 0.00 -1.38 1.55 -1.61 0.00 0.00 178.31 176.87 1i5a n VAL 361 N -2.77 0.38 -0.02 -0.55 3.14 -0.32 -4.79 118.33 113.40 1i5a n VAL 361 Ca -0.02 -0.21 -0.12 0.00 -2.96 0.00 0.00 64.34 61.03 1i5a n VAL 361 Cb 0.11 -0.83 -0.08 0.00 -1.06 0.00 0.00 33.84 31.98 1i5a n VAL 361 CO 0.00 0.00 0.00 -0.26 -6.46 0.00 0.00 176.83 170.11 1i5a h PHE 362 N 0.00 0.16 0.00 1.45 -1.00 -0.98 -3.27 116.94 113.29 1i5a h PHE 362 Ca -0.15 -0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.60 1i5a h PHE 362 Cb 1.31 -0.04 0.00 0.00 3.61 0.00 0.00 35.95 40.83 1i5a h PHE 362 CO 0.00 0.44 0.31 -2.95 -1.61 0.00 0.00 178.31 174.51 1i5a h ASN 363 N -0.17 0.00 0.69 2.17 7.08 -1.69 0.31 115.58 123.98 1i5a h ASN 363 Ca 0.02 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.24 1i5a h ASN 363 Cb 0.39 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.63 1i5a h ASN 363 CO 0.01 0.00 -0.29 -2.11 -2.08 0.00 0.00 177.43 172.95 1i5a n ARG 364 N -2.24 0.02 0.09 4.14 1.85 -1.23 -4.27 116.66 115.02 1i5a n ARG 364 Ca -0.01 -0.01 -0.13 0.00 -1.00 0.00 0.00 57.85 56.70 1i5a n ARG 364 Cb 0.34 -1.50 -0.13 0.00 -1.05 0.00 0.00 32.46 30.12 1i5a n ARG 364 CO 0.00 0.00 0.00 0.74 -0.01 0.00 0.00 177.63 178.36 1i5a h PHE 365 N 0.02 0.31 -0.71 2.89 0.05 -1.13 -3.30 116.94 115.07 1i5a h PHE 365 Ca 0.00 -0.22 0.10 0.00 3.82 0.00 0.00 57.97 61.66 1i5a h PHE 365 Cb 0.50 -0.01 -0.07 0.00 2.00 0.00 0.00 35.95 38.36 1i5a h PHE 365 CO 0.00 1.18 0.34 -1.35 -0.18 0.00 0.00 178.31 178.30 1i5a h PRO 366 N 0.05 0.56 -0.10 1.51 0.11 -1.76 0.31 132.00 132.68 1i5a h PRO 366 Ca -0.09 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.97 1i5a h PRO 366 Cb 1.90 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.88 1i5a h PRO 366 CO 0.17 0.37 0.02 -0.09 -0.21 0.00 0.00 178.00 178.27 1i5a h ARG 367 N 0.58 0.16 -0.76 1.05 9.65 -1.85 -1.91 114.38 121.29 1i5a h ARG 367 Ca 0.35 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 59.20 1i5a h ARG 367 Cb 0.39 -0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 28.91 1i5a h ARG 367 CO -0.28 0.34 0.49 0.52 2.80 0.00 0.00 179.97 183.84 1i5a h MET 368 N -0.05 1.02 -0.17 0.20 2.86 -1.49 -1.97 114.93 115.33 1i5a h MET 368 Ca 0.03 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 1i5a h MET 368 Cb 0.25 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 1i5a h MET 368 CO 0.00 0.69 0.08 0.28 1.06 0.00 0.00 176.91 179.02 1i5a h VAL 369 N 1.04 1.13 -0.41 -2.22 2.07 -0.31 -1.00 116.25 116.55 1i5a h VAL 369 Ca 0.28 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.44 1i5a h VAL 369 Cb -0.09 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 1i5a h VAL 369 CO -0.06 0.12 0.25 -0.09 0.02 0.00 0.00 177.57 177.82 1i5a h ARG 370 N 0.15 0.54 -0.69 1.57 2.43 -1.18 0.45 114.38 117.66 1i5a h ARG 370 Ca 0.06 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.11 1i5a h ARG 370 Cb 0.11 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.52 1i5a h ARG 370 CO -0.01 0.39 0.14 -0.44 -1.51 0.00 0.00 179.97 178.54 1i5a h ASP 371 N 0.54 1.06 -0.38 -3.80 3.32 -1.28 -0.73 116.42 115.16 1i5a h ASP 371 Ca 0.15 -0.24 -0.02 0.00 0.02 0.00 0.00 57.03 56.94 1i5a h ASP 371 Cb -0.02 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.23 1i5a h ASP 371 CO -0.03 1.04 0.15 -0.07 -1.72 0.00 0.00 179.24 178.61 1i5a h LEU 372 N 1.05 0.52 -1.04 1.55 3.38 -0.87 -0.57 115.31 119.33 1i5a h LEU 372 Ca 0.21 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1i5a h LEU 372 Cb 0.40 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 1i5a h LEU 372 CO 0.01 0.54 0.48 0.00 0.09 0.00 0.00 178.44 179.56 1i5a h ALA 373 N 1.00 1.27 -0.28 1.53 0.00 -0.62 -0.99 119.26 121.17 1i5a h ALA 373 Ca 0.13 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1i5a h ALA 373 Cb 0.18 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1i5a h ALA 373 CO -0.01 0.61 -0.12 -0.22 0.00 0.00 0.00 179.25 179.50 1i5a h LYS 374 N 1.16 0.58 -0.45 0.00 3.64 -0.84 0.28 116.57 120.94 1i5a h LYS 374 Ca 0.30 -0.25 -0.05 0.00 -1.27 0.00 0.00 60.65 59.38 1i5a h LYS 374 Cb -0.01 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 1i5a h LYS 374 CO -0.05 0.81 0.05 -0.22 -2.27 0.00 0.00 179.45 177.77 1i5a h LYS 375 N 0.32 0.70 -0.45 1.90 3.64 -0.77 -2.68 116.57 119.22 1i5a h LYS 375 Ca 0.06 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1i5a h LYS 375 Cb 0.63 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 1i5a h LYS 375 CO 0.04 0.68 0.00 -1.33 -2.27 0.00 0.00 179.45 176.57 1i5a n MET 376 N -4.26 2.22 -3.72 1.90 2.81 -0.41 -4.95 117.12 110.70 1i5a n MET 376 Ca 0.03 -1.87 -0.23 0.00 -1.81 0.00 0.00 57.70 53.81 1i5a n MET 376 Cb 0.25 -1.43 0.03 0.00 -0.71 0.00 0.00 33.22 31.35 1i5a n MET 376 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1i5a n ASN 377 N 1.04 -1.67 -4.37 7.83 3.02 -0.58 -5.00 115.26 115.54 1i5a n ASN 377 Ca 0.18 -0.87 -0.29 0.00 -0.03 0.00 0.00 54.58 53.57 1i5a n ASN 377 Cb 0.46 -3.85 -0.13 0.00 -0.61 0.00 0.00 39.78 35.65 1i5a n ASN 377 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1i5a s LYS 378 N -6.01 1.49 -0.29 3.52 -0.14 0.88 -4.63 119.74 114.55 1i5a s LYS 378 Ca 0.07 -1.26 -0.07 0.00 -1.36 0.00 0.00 55.97 53.35 1i5a s LYS 378 Cb -0.02 -1.87 0.00 0.00 -1.68 0.00 0.00 37.83 34.26 1i5a s LYS 378 CO 0.83 0.46 0.08 -2.00 -0.76 0.00 0.00 175.35 173.95 1i5a s GLU 379 N -1.80 3.15 -0.07 1.68 2.56 -1.26 -4.42 118.70 118.54 1i5a s GLU 379 Ca 0.13 -0.81 -0.04 0.00 0.00 0.00 0.00 54.97 54.24 1i5a s GLU 379 Cb -0.10 -3.36 0.03 0.00 2.00 0.00 0.00 34.13 32.71 1i5a s GLU 379 CO 0.05 -0.41 0.18 0.14 -0.56 0.00 0.00 175.26 174.65 1i5a s VAL 380 N 1.51 -0.03 -0.25 3.70 -7.23 -1.26 -0.88 120.40 115.95 1i5a s VAL 380 Ca 0.03 0.12 -0.18 0.00 -1.81 0.00 0.00 61.98 60.15 1i5a s VAL 380 Cb -0.17 -0.27 -0.03 0.00 0.56 0.00 0.00 36.38 36.47 1i5a s VAL 380 CO 0.02 0.05 0.50 0.21 -0.31 0.00 0.00 175.10 175.58 1i5a s ASN 381 N 0.90 6.44 -0.24 4.85 2.47 0.16 -4.92 114.94 124.59 1i5a s ASN 381 Ca -0.07 0.52 -0.10 0.00 0.42 0.00 0.00 52.86 53.64 1i5a s ASN 381 Cb -0.08 -2.28 -0.05 0.00 -1.45 0.00 0.00 41.25 37.39 1i5a s ASN 381 CO -0.05 -0.26 0.15 0.12 -3.72 0.00 0.00 177.10 173.34 1i5a s PHE 382 N 2.19 3.27 -0.11 0.43 5.36 -1.26 -1.71 117.98 126.15 1i5a s PHE 382 Ca 0.21 0.14 0.03 0.00 -0.96 0.00 0.00 56.93 56.34 1i5a s PHE 382 Cb -0.16 -2.28 -0.00 0.00 -0.34 0.00 0.00 43.02 40.25 1i5a s PHE 382 CO 0.09 -0.01 -0.21 0.42 -1.46 0.00 0.00 175.22 174.05 1i5a s ILE 383 N 1.21 2.31 -0.06 3.12 1.01 -0.19 -5.00 121.20 123.60 1i5a s ILE 383 Ca 0.07 -0.92 0.03 0.00 0.00 0.00 0.00 60.65 59.83 1i5a s ILE 383 Cb -0.14 -1.91 -0.02 0.00 0.01 0.00 0.00 42.46 40.39 1i5a s ILE 383 CO 0.06 0.55 -0.15 -0.04 0.00 0.00 0.00 174.94 175.36 1i5a s MET 384 N 0.43 2.64 0.04 2.79 -1.94 -1.26 -0.73 119.30 121.26 1i5a s MET 384 Ca -0.15 -0.71 0.02 0.00 -1.71 0.00 0.00 55.69 53.14 1i5a s MET 384 Cb -0.17 -2.40 -0.02 0.00 2.01 0.00 0.00 34.83 34.25 1i5a s MET 384 CO 0.06 0.55 -0.08 1.03 -0.01 0.00 0.00 175.02 176.57 1i5a s ARG 385 N -0.53 0.53 -0.91 2.03 0.52 0.36 -4.84 118.95 116.11 1i5a s ARG 385 Ca 0.07 -0.69 0.00 0.00 -0.52 0.00 0.00 55.73 54.59 1i5a s ARG 385 Cb -0.12 -0.33 0.00 0.00 0.52 0.00 0.00 34.95 35.02 1i5a s ARG 385 CO 0.01 0.06 0.00 0.41 0.02 0.00 0.00 175.30 175.81 1i5a n GLY 386 N 1.66 -0.03 0.12 -3.53 0.00 -1.26 -1.28 105.19 100.87 1i5a n GLY 386 Ca -0.21 -0.45 0.09 0.00 0.00 0.00 0.00 46.02 45.45 1i5a n GLY 386 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1i5a n GLU 387 N -2.04 0.12 -0.48 1.61 4.71 -1.26 -1.08 120.64 122.22 1i5a n GLU 387 Ca -0.13 0.54 0.09 0.00 -0.01 0.00 0.00 57.16 57.66 1i5a n GLU 387 Cb 0.59 -1.83 0.32 0.00 -1.01 0.00 0.00 31.44 29.51 1i5a n GLU 387 CO 0.00 0.00 0.00 -0.40 0.09 0.00 0.00 177.13 176.82 1i5a n ASP 388 N -2.07 4.08 -4.70 1.62 5.75 -1.26 -2.04 116.55 117.94 1i5a n ASP 388 Ca -0.00 -2.25 -0.42 0.00 -0.01 0.00 0.00 54.79 52.11 1i5a n ASP 388 Cb 0.08 -0.51 -0.03 0.00 -1.03 0.00 0.00 41.12 39.63 1i5a n ASP 388 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1i5a s THR 389 N -1.54 4.23 0.15 2.12 2.01 -0.24 -4.79 115.64 117.57 1i5a s THR 389 Ca 0.46 1.57 -0.18 0.00 0.31 0.00 0.00 61.69 63.85 1i5a s THR 389 Cb 0.27 -4.01 -0.07 0.00 0.01 0.00 0.00 72.50 68.70 1i5a s THR 389 CO 0.26 0.04 0.63 -1.61 -0.69 0.00 0.00 174.62 173.25 1i5a s GLU 390 N 1.81 4.18 0.15 4.92 0.41 -1.26 -0.11 118.70 128.80 1i5a s GLU 390 Ca 0.56 0.74 -0.20 0.00 -0.41 0.00 0.00 54.97 55.67 1i5a s GLU 390 Cb -0.26 -3.03 0.05 0.00 -1.78 0.00 0.00 34.13 29.12 1i5a s GLU 390 CO 0.24 0.51 0.51 -0.48 -0.49 0.00 0.00 175.26 175.55 1i5a s LEU 391 N -1.65 -0.15 0.11 1.80 2.34 -0.92 -4.90 118.68 115.31 1i5a s LEU 391 Ca 0.37 -0.14 -0.36 0.00 0.06 0.00 0.00 54.13 54.06 1i5a s LEU 391 Cb -0.17 2.27 -0.17 0.00 -0.56 0.00 0.00 46.19 47.56 1i5a s LEU 391 CO 0.20 -0.92 1.25 -0.67 -1.06 0.00 0.00 176.35 175.16 1i5a n ASP 392 N -0.31 1.38 0.14 1.48 2.03 -1.26 -2.23 116.55 117.77 1i5a n ASP 392 Ca -0.17 1.13 0.11 0.00 0.52 0.00 0.00 54.79 56.39 1i5a n ASP 392 Cb 0.64 -1.17 0.62 0.00 -0.72 0.00 0.00 41.12 40.49 1i5a n ASP 392 CO 0.00 0.00 0.00 0.08 -1.92 0.00 0.00 177.20 175.36 1i5a h ARG 393 N 4.02 0.08 -0.74 -0.67 0.11 -1.51 -1.35 114.38 114.33 1i5a h ARG 393 Ca -0.46 -0.01 -0.01 0.00 0.10 0.00 0.00 59.98 59.60 1i5a h ARG 393 Cb 1.35 -0.02 -0.04 0.00 1.11 0.00 0.00 29.97 32.37 1i5a h ARG 393 CO 0.74 0.06 0.43 1.15 0.10 0.00 0.00 179.97 182.45 1i5a h THR 394 N 0.09 1.22 -0.28 0.08 2.02 -1.88 -1.26 112.91 112.89 1i5a h THR 394 Ca 0.11 -0.50 -0.02 0.00 0.77 0.00 0.00 66.41 66.76 1i5a h THR 394 Cb 0.31 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 66.92 1i5a h THR 394 CO -0.01 0.23 0.10 -0.26 0.37 0.00 0.00 175.52 175.95 1i5a h PHE 395 N 1.01 0.45 -1.00 3.16 0.05 -1.61 -2.20 116.94 116.80 1i5a h PHE 395 Ca 0.26 -0.04 0.15 0.00 3.82 0.00 0.00 57.97 62.16 1i5a h PHE 395 Cb -0.01 -0.13 -0.09 0.00 2.00 0.00 0.00 35.95 37.72 1i5a h PHE 395 CO -0.01 0.46 0.62 0.28 -0.18 0.00 0.00 178.31 179.49 1i5a h VAL 396 N 0.30 0.84 0.00 -0.55 2.07 -1.04 0.46 116.25 118.33 1i5a h VAL 396 Ca 0.09 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.30 1i5a h VAL 396 Cb 0.21 -0.15 0.00 0.00 -1.52 0.00 0.00 31.29 29.83 1i5a h VAL 396 CO -0.01 0.17 0.00 -0.62 0.02 0.00 0.00 177.57 177.13 1i5a n GLU 397 N -4.67 0.02 -0.02 1.57 1.02 -0.52 -4.00 120.64 114.04 1i5a n GLU 397 Ca 0.21 0.04 -0.01 0.00 -0.02 0.00 0.00 57.16 57.37 1i5a n GLU 397 Cb 0.44 -1.53 -0.04 0.00 -0.02 0.00 0.00 31.44 30.28 1i5a n GLU 397 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1i5a n GLU 398 N -1.57 2.48 0.00 3.49 -0.58 0.00 -4.67 120.64 119.79 1i5a n GLU 398 Ca 0.07 -0.01 0.10 0.00 -0.42 0.00 0.00 57.16 56.89 1i5a n GLU 398 Cb 0.33 -1.14 0.45 0.00 -0.57 0.00 0.00 31.44 30.51 1i5a n GLU 398 CO 0.00 0.00 0.00 1.51 -0.48 0.00 0.00 177.13 178.16 1i5a n ILE 399 N -2.09 0.56 0.21 -3.67 0.13 0.14 -4.00 119.36 110.64 1i5a n ILE 399 Ca -0.07 0.14 -0.15 0.00 -1.10 0.00 0.00 62.75 61.57 1i5a n ILE 399 Cb 0.57 -0.78 -0.08 0.00 -0.84 0.00 0.00 39.64 38.50 1i5a n ILE 399 CO 0.00 0.00 0.00 1.23 2.80 0.00 0.00 176.55 180.58 1i5a h GLY 400 N 3.60 -0.49 0.51 4.50 0.00 -1.80 -2.33 103.07 107.06 1i5a h GLY 400 Ca 0.00 0.18 0.06 0.00 0.00 0.00 0.00 47.33 47.57 1i5a h GLY 400 CO 0.00 -0.18 0.02 0.83 0.00 0.00 0.00 176.54 177.21 1i5a h GLU 401 N -0.50 0.12 -0.08 4.80 5.08 -1.93 -1.42 114.58 120.66 1i5a h GLU 401 Ca -0.05 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1i5a h GLU 401 Cb 0.38 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1i5a h GLU 401 CO 0.08 0.08 -0.01 -1.35 -1.00 0.00 0.00 179.01 176.80 1i5a h PRO 402 N 0.12 0.01 -0.53 2.33 0.11 -1.77 -2.18 132.00 130.09 1i5a h PRO 402 Ca 0.16 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 1i5a h PRO 402 Cb 0.21 -0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.29 1i5a h PRO 402 CO -0.25 0.01 0.34 -0.07 -0.21 0.00 0.00 178.00 177.81 1i5a h LEU 403 N 0.01 0.62 -1.15 2.35 3.38 -1.26 -1.69 115.31 117.57 1i5a h LEU 403 Ca 0.04 -0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.03 1i5a h LEU 403 Cb 0.05 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.59 1i5a h LEU 403 CO -0.08 0.47 0.59 0.25 0.09 0.00 0.00 178.44 179.76 1i5a h LEU 404 N 0.72 0.92 -0.58 1.67 5.85 -1.06 0.40 115.31 123.23 1i5a h LEU 404 Ca 0.19 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.79 1i5a h LEU 404 Cb -0.05 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.76 1i5a h LEU 404 CO -0.04 0.60 -0.18 -0.74 -0.34 0.00 0.00 178.44 177.75 1i5a h HIS 405 N 1.05 1.07 -0.52 1.25 2.76 -0.79 0.26 115.15 120.23 1i5a h HIS 405 Ca 0.38 -0.24 -0.11 0.00 -2.20 0.00 0.00 60.37 58.20 1i5a h HIS 405 Cb 0.15 -0.26 -0.02 0.00 1.55 0.00 0.00 27.41 28.83 1i5a h HIS 405 CO -0.00 1.04 -0.11 -0.07 -1.30 0.00 0.00 177.93 177.48 1i5a h LEU 406 N 0.83 0.97 -0.34 0.26 3.38 -0.44 0.09 115.31 120.06 1i5a h LEU 406 Ca 0.12 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 1i5a h LEU 406 Cb 0.73 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 1i5a h LEU 406 CO 0.06 1.08 0.15 -0.07 0.09 0.00 0.00 178.44 179.76 1i5a h LEU 407 N 0.86 0.46 -0.67 1.67 3.38 -0.72 -1.24 115.31 119.05 1i5a h LEU 407 Ca 0.14 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1i5a h LEU 407 Cb 0.66 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 1i5a h LEU 407 CO 0.05 0.47 0.32 -0.09 0.09 0.00 0.00 178.44 179.28 1i5a h ARG 408 N 0.41 0.97 -0.47 1.13 2.43 -0.75 -1.45 114.38 116.65 1i5a h ARG 408 Ca 0.12 -0.14 0.05 0.00 -0.81 0.00 0.00 59.98 59.19 1i5a h ARG 408 Cb 0.14 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 29.47 1i5a h ARG 408 CO -0.01 0.77 0.22 -0.91 -1.51 0.00 0.00 179.97 178.52 1i5a h ASN 409 N 0.93 0.29 -0.65 -3.80 2.35 -0.65 0.29 115.58 114.34 1i5a h ASN 409 Ca 0.23 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 56.02 1i5a h ASN 409 Cb 0.12 -0.01 -0.03 0.00 0.05 0.00 0.00 38.32 38.44 1i5a h ASN 409 CO -0.03 0.21 0.42 0.00 -1.65 0.00 0.00 177.43 176.38 1i5a h ALA 410 N 1.27 0.83 -0.16 -0.83 0.00 -0.76 0.14 119.26 119.75 1i5a h ALA 410 Ca 0.21 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.94 1i5a h ALA 410 Cb 0.15 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1i5a h ALA 410 CO -0.17 0.27 -0.45 0.82 0.00 0.00 0.00 179.25 179.72 1i5a h ILE 411 N 0.88 1.32 0.00 0.00 2.04 -0.73 0.25 117.51 121.28 1i5a h ILE 411 Ca 0.24 -1.63 0.00 0.00 1.00 0.00 0.00 64.86 64.46 1i5a h ILE 411 Cb -0.08 1.69 0.00 0.00 -0.74 0.00 0.00 36.82 37.69 1i5a h ILE 411 CO -0.05 0.50 -0.06 -0.78 0.00 0.00 0.00 178.15 177.76 1i5a h ASP 412 N 0.31 0.00 1.56 1.72 -0.00 -0.71 -3.39 116.42 115.92 1i5a h ASP 412 Ca 0.02 0.00 -0.06 0.00 -0.00 0.00 0.00 57.03 56.99 1i5a h ASP 412 Cb 0.92 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 40.24 1i5a h ASP 412 CO 0.08 0.20 -0.45 0.45 -0.00 0.00 0.00 179.24 179.52 1i5a h HIS 413 N -0.34 0.00 0.00 0.28 3.86 -0.90 -3.43 115.15 114.62 1i5a h HIS 413 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1i5a h HIS 413 Cb 0.06 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.53 1i5a h HIS 413 CO -0.03 0.26 0.00 0.41 0.86 0.00 0.00 177.93 179.43 1i5a n GLY 414 N 1.19 0.78 3.69 2.45 0.00 -0.48 -4.67 105.19 108.15 1i5a n GLY 414 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1i5a n GLY 414 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1i5a s ILE 415 N -0.05 2.53 0.39 -0.61 -1.09 0.77 -1.73 121.20 121.41 1i5a s ILE 415 Ca 0.00 0.03 -0.13 0.00 -2.23 0.00 0.00 60.65 58.32 1i5a s ILE 415 Cb 0.00 -3.02 -0.08 0.00 -1.58 0.00 0.00 42.46 37.79 1i5a s ILE 415 CO 0.00 -0.00 0.79 -1.61 -1.23 0.00 0.00 174.94 172.89 1i5a s GLU 416 N 2.82 3.88 0.61 2.79 8.01 -1.26 -4.76 118.70 130.79 1i5a s GLU 416 Ca 0.82 0.61 -0.18 0.00 0.01 0.00 0.00 54.97 56.22 1i5a s GLU 416 Cb -0.46 -2.37 -0.05 0.00 -4.31 0.00 0.00 34.13 26.94 1i5a s GLU 416 CO 0.37 -0.00 0.84 -2.30 0.01 0.00 0.00 175.26 174.17 1i5a n PRO 417 N -1.02 0.73 -0.20 0.39 -0.02 -1.26 -4.64 135.00 128.98 1i5a n PRO 417 Ca 0.03 0.29 0.01 0.00 -2.02 0.00 0.00 63.50 61.81 1i5a n PRO 417 Cb 0.54 -2.04 0.10 0.00 -0.02 0.00 0.00 33.50 32.08 1i5a n PRO 417 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1i5a h LYS 418 N 0.30 0.17 -0.62 -0.52 3.64 -1.82 -0.82 116.57 116.90 1i5a h LYS 418 Ca -0.48 -0.01 0.09 0.00 -1.27 0.00 0.00 60.65 58.98 1i5a h LYS 418 Cb 1.37 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 33.12 1i5a h LYS 418 CO 0.49 0.12 0.41 1.05 -2.27 0.00 0.00 179.45 179.25 1i5a h GLU 419 N 0.18 0.47 -0.09 1.90 -0.00 -1.90 -1.23 114.58 113.91 1i5a h GLU 419 Ca 0.31 -0.03 -0.21 0.00 -0.00 0.00 0.00 59.36 59.44 1i5a h GLU 419 Cb 0.49 -0.11 0.01 0.00 -0.00 0.00 0.00 28.75 29.14 1i5a h GLU 419 CO -0.46 0.31 -0.75 1.49 -0.00 0.00 0.00 179.01 179.61 1i5a h GLU 420 N 0.49 0.66 -0.85 1.06 4.81 -1.50 -1.84 114.58 117.40 1i5a h GLU 420 Ca 0.28 -0.59 -0.01 0.00 -0.13 0.00 0.00 59.36 58.91 1i5a h GLU 420 Cb 0.46 0.14 -0.04 0.00 0.63 0.00 0.00 28.75 29.94 1i5a h GLU 420 CO -0.08 1.20 0.49 0.00 -0.73 0.00 0.00 179.01 179.89 1i5a h ARG 421 N 0.33 1.17 0.11 1.92 3.08 -0.74 0.82 114.38 121.07 1i5a h ARG 421 Ca -0.07 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 59.86 1i5a h ARG 421 Cb 1.39 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 31.21 1i5a h ARG 421 CO 0.15 0.84 -0.05 0.82 -1.07 0.00 0.00 179.97 180.66 1i5a h ILE 422 N 1.19 1.01 -0.24 2.04 2.04 -1.21 -0.62 117.51 121.71 1i5a h ILE 422 Ca 0.30 -0.45 0.05 0.00 1.00 0.00 0.00 64.86 65.76 1i5a h ILE 422 Cb -0.01 1.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 1i5a h ILE 422 CO -0.05 0.11 0.17 0.00 0.00 0.00 0.00 178.15 178.38 1i5a h ALA 423 N 0.50 2.09 0.00 1.87 0.00 -0.95 -1.26 119.26 121.51 1i5a h ALA 423 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1i5a h ALA 423 Cb 0.30 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1i5a h ALA 423 CO 0.03 -0.14 -0.08 1.63 0.00 0.00 0.00 179.25 180.68 1i5a n LYS 424 N -4.49 0.24 -1.23 0.00 5.02 0.25 -4.94 118.16 113.01 1i5a n LYS 424 Ca 0.02 0.18 0.00 0.00 -2.02 0.00 0.00 58.31 56.49 1i5a n LYS 424 Cb 0.24 -1.76 0.00 0.00 -0.02 0.00 0.00 35.03 33.49 1i5a n LYS 424 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1i5a n GLY 425 N 1.33 0.95 3.57 0.72 0.00 -0.48 -5.06 105.19 106.22 1i5a n GLY 425 Ca 0.05 -0.57 -0.24 0.00 0.00 0.00 0.00 46.02 45.26 1i5a n GLY 425 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i5a s LYS 426 N -2.81 1.99 0.18 1.61 1.02 -0.35 -5.04 119.74 116.35 1i5a s LYS 426 Ca 0.00 -1.65 -0.33 0.00 0.02 0.00 0.00 55.97 54.01 1i5a s LYS 426 Cb 0.00 -1.94 -0.14 0.00 -0.52 0.00 0.00 37.83 35.23 1i5a s LYS 426 CO 0.00 0.28 1.38 -2.30 -0.92 0.00 0.00 175.35 173.80 1i5a n PRO 427 N -0.80 1.74 -0.27 -1.68 -0.02 -1.26 -4.26 135.00 128.44 1i5a n PRO 427 Ca -0.05 0.62 0.07 0.00 -2.02 0.00 0.00 63.50 62.12 1i5a n PRO 427 Cb 0.60 -2.27 0.21 0.00 -0.02 0.00 0.00 33.50 32.03 1i5a n PRO 427 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1i5a h PRO 428 N 4.48 0.44 -5.96 0.52 0.11 -1.90 -3.42 132.00 126.28 1i5a h PRO 428 Ca -0.45 -0.03 -0.58 0.00 0.11 0.00 0.00 66.00 65.05 1i5a h PRO 428 Cb 1.29 -0.10 -0.06 0.00 0.11 0.00 0.00 31.00 32.24 1i5a h PRO 428 CO 0.78 0.29 -0.11 0.42 -0.21 0.00 0.00 178.00 179.16 1i5a s ILE 429 N -5.99 5.02 0.50 4.15 1.01 -1.26 -4.55 121.20 120.08 1i5a s ILE 429 Ca -0.12 1.03 -0.14 0.00 0.00 0.00 0.00 60.65 61.41 1i5a s ILE 429 Cb 0.22 -3.83 -0.07 0.00 0.01 0.00 0.00 42.46 38.79 1i5a s ILE 429 CO 0.77 0.45 0.93 -0.83 0.00 0.00 0.00 174.94 176.26 1i5a s GLY 430 N -0.27 1.97 -0.12 6.18 0.00 -0.06 -4.86 107.32 110.17 1i5a s GLY 430 Ca 0.27 0.03 0.03 0.00 0.00 0.00 0.00 44.72 45.05 1i5a s GLY 430 CO 0.14 0.28 -0.22 -1.59 0.00 0.00 0.00 173.10 171.71 1i5a s THR 431 N -2.64 2.19 -0.14 0.90 2.01 -1.26 0.40 115.64 117.10 1i5a s THR 431 Ca 0.56 -0.96 0.01 0.00 0.31 0.00 0.00 61.69 61.61 1i5a s THR 431 Cb -0.10 -1.86 0.02 0.00 0.01 0.00 0.00 72.50 70.57 1i5a s THR 431 CO 0.35 0.55 -0.15 -0.22 -0.69 0.00 0.00 174.62 174.46 1i5a s LEU 432 N 0.53 1.72 -0.12 4.42 2.96 -0.69 -2.36 118.68 125.14 1i5a s LEU 432 Ca -0.13 -0.48 0.02 0.00 -0.22 0.00 0.00 54.13 53.31 1i5a s LEU 432 Cb -0.17 -1.18 -0.00 0.00 0.50 0.00 0.00 46.19 45.34 1i5a s LEU 432 CO 0.05 -0.04 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.22 1i5a s ILE 433 N 1.36 2.43 -0.19 6.68 1.01 1.00 -1.02 121.20 132.47 1i5a s ILE 433 Ca 0.02 -0.88 -0.00 0.00 0.00 0.00 0.00 60.65 59.79 1i5a s ILE 433 Cb -0.13 -1.98 0.01 0.00 0.01 0.00 0.00 42.46 40.37 1i5a s ILE 433 CO -0.09 0.54 -0.16 -0.22 0.00 0.00 0.00 174.94 175.02 1i5a s LEU 434 N 0.47 2.33 0.04 2.97 2.96 0.09 -0.78 118.68 126.76 1i5a s LEU 434 Ca -0.13 -0.58 -0.01 0.00 -0.22 0.00 0.00 54.13 53.19 1i5a s LEU 434 Cb -0.17 -1.55 -0.03 0.00 0.50 0.00 0.00 46.19 44.94 1i5a s LEU 434 CO 0.06 -0.00 -0.03 -0.94 -1.32 0.00 0.00 176.35 174.11 1i5a s SER 435 N 1.31 0.46 0.03 3.68 1.04 -0.64 -0.48 113.70 119.10 1i5a s SER 435 Ca 0.05 -0.87 0.03 0.00 0.48 0.00 0.00 55.95 55.64 1i5a s SER 435 Cb -0.13 0.17 -0.02 0.00 0.10 0.00 0.00 66.02 66.14 1i5a s SER 435 CO -0.10 -0.51 -0.10 0.00 0.98 0.00 0.00 173.24 173.51 1i5a s ALA 436 N -3.25 0.78 0.24 5.32 0.00 -0.41 -0.92 121.76 123.52 1i5a s ALA 436 Ca 0.01 -0.64 -0.22 0.00 0.00 0.00 0.00 51.96 51.11 1i5a s ALA 436 Cb 0.03 -0.09 0.04 0.00 0.00 0.00 0.00 23.12 23.10 1i5a s ALA 436 CO -0.07 0.11 0.84 -0.98 0.00 0.00 0.00 175.76 175.66 1i5a s ARG 437 N -0.99 1.58 -0.13 0.00 1.70 -0.29 -4.11 118.95 116.70 1i5a s ARG 437 Ca -0.02 -0.90 -0.06 0.00 -0.47 0.00 0.00 55.73 54.28 1i5a s ARG 437 Cb -0.07 0.52 -0.04 0.00 -0.57 0.00 0.00 34.95 34.79 1i5a s ARG 437 CO 0.01 -0.73 0.08 -1.01 -1.08 0.00 0.00 175.30 172.57 1i5a s HIS 438 N -3.41 3.39 -0.34 5.89 3.76 -1.26 -0.10 115.29 123.21 1i5a s HIS 438 Ca 0.13 0.33 -0.01 0.00 -0.15 0.00 0.00 55.06 55.36 1i5a s HIS 438 Cb -0.04 -1.94 0.12 0.00 1.11 0.00 0.00 32.58 31.83 1i5a s HIS 438 CO 0.06 0.51 0.18 -1.21 -0.85 0.00 0.00 174.74 173.42 1i5a s GLU 439 N -0.60 0.61 7.59 1.40 2.02 -0.12 -4.93 118.70 124.67 1i5a s GLU 439 Ca 0.12 -1.19 0.00 0.00 0.02 0.00 0.00 54.97 53.91 1i5a s GLU 439 Cb -0.12 -1.55 0.00 0.00 0.10 0.00 0.00 34.13 32.56 1i5a s GLU 439 CO 0.02 -1.12 0.00 0.41 0.02 0.00 0.00 175.26 174.60 1i5a n GLY 440 N 4.40 2.98 2.27 -1.39 0.00 -1.26 -1.53 105.19 110.66 1i5a n GLY 440 Ca 0.05 -0.21 -0.31 0.00 0.00 0.00 0.00 46.02 45.55 1i5a n GLY 440 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1i5a n ASN 441 N 5.96 6.40 -4.12 1.61 2.04 -1.26 -4.91 115.26 120.98 1i5a n ASN 441 Ca 0.00 -3.69 -0.18 0.00 -0.44 0.00 0.00 54.58 50.26 1i5a n ASN 441 Cb 0.00 -0.93 -0.13 0.00 -2.53 0.00 0.00 39.78 36.19 1i5a n ASN 441 CO 0.00 0.00 0.00 0.20 -0.44 0.00 0.00 177.26 177.02 1i5a s ASN 442 N -1.57 1.45 -0.21 0.53 0.02 -0.59 -2.28 114.94 112.29 1i5a s ASN 442 Ca 0.61 -0.45 -0.09 0.00 -1.02 0.00 0.00 52.86 51.90 1i5a s ASN 442 Cb 0.49 -0.08 -0.05 0.00 0.02 0.00 0.00 41.25 41.63 1i5a s ASN 442 CO 0.03 -0.01 0.12 -0.69 0.02 0.00 0.00 177.10 176.57 1i5a s VAL 443 N -0.90 5.17 -0.19 1.60 1.01 0.07 -0.94 120.40 126.23 1i5a s VAL 443 Ca -0.00 0.11 -0.02 0.00 0.00 0.00 0.00 61.98 62.06 1i5a s VAL 443 Cb -0.08 -3.37 -0.01 0.00 0.00 0.00 0.00 36.38 32.92 1i5a s VAL 443 CO 0.01 0.41 -0.08 -0.69 0.00 0.00 0.00 175.10 174.75 1i5a s VAL 444 N 0.66 3.19 -0.11 2.92 1.01 0.85 -0.78 120.40 128.14 1i5a s VAL 444 Ca 0.06 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 61.47 1i5a s VAL 444 Cb -0.12 -2.41 -0.02 0.00 0.00 0.00 0.00 36.38 33.83 1i5a s VAL 444 CO 0.01 0.47 -0.11 -0.63 0.00 0.00 0.00 175.10 174.84 1i5a s ILE 445 N 1.05 3.24 -0.01 2.22 1.01 0.28 -1.14 121.20 127.85 1i5a s ILE 445 Ca 0.00 -0.61 0.04 0.00 0.00 0.00 0.00 60.65 60.09 1i5a s ILE 445 Cb -0.15 -2.35 -0.01 0.00 0.01 0.00 0.00 42.46 39.96 1i5a s ILE 445 CO -0.01 0.54 -0.14 -1.61 0.00 0.00 0.00 174.94 173.72 1i5a s GLU 446 N 0.05 1.15 -0.26 2.79 2.02 -0.10 -0.16 118.70 124.19 1i5a s GLU 446 Ca -0.04 -0.50 0.02 0.00 0.02 0.00 0.00 54.97 54.48 1i5a s GLU 446 Cb -0.14 -1.11 0.07 0.00 0.10 0.00 0.00 34.13 33.05 1i5a s GLU 446 CO 0.04 0.29 -0.07 0.08 0.02 0.00 0.00 175.26 175.62 1i5a s VAL 447 N -0.29 1.98 -0.05 2.63 1.01 -0.41 -1.62 120.40 123.67 1i5a s VAL 447 Ca 0.05 -1.61 0.05 0.00 0.00 0.00 0.00 61.98 60.46 1i5a s VAL 447 Cb -0.06 -2.19 -0.01 0.00 0.00 0.00 0.00 36.38 34.13 1i5a s VAL 447 CO -0.00 -0.14 -0.20 -0.70 0.00 0.00 0.00 175.10 174.06 1i5a s GLU 448 N 1.17 2.02 0.18 2.72 2.12 0.04 -1.50 118.70 125.45 1i5a s GLU 448 Ca -0.05 -0.72 0.08 0.00 0.36 0.00 0.00 54.97 54.64 1i5a s GLU 448 Cb -0.19 -1.76 -0.04 0.00 0.26 0.00 0.00 34.13 32.40 1i5a s GLU 448 CO -0.06 0.31 -0.17 0.16 -0.54 0.00 0.00 175.26 174.96 1i5a s ASP 449 N -0.07 2.60 -0.54 -1.70 1.47 -0.38 -0.00 116.67 118.04 1i5a s ASP 449 Ca -0.03 -0.91 0.01 0.00 1.18 0.00 0.00 52.55 52.80 1i5a s ASP 449 Cb -0.12 -0.15 0.45 0.00 -0.34 0.00 0.00 42.92 42.77 1i5a s ASP 449 CO 0.02 -0.09 1.74 -0.90 0.68 0.00 0.00 175.17 176.62 1i5a n ASP 450 N 0.07 6.73 -3.13 2.11 3.85 -0.99 -1.84 116.55 123.34 1i5a n ASP 450 Ca -0.11 -3.78 0.00 0.00 -0.71 0.00 0.00 54.79 50.19 1i5a n ASP 450 Cb 0.58 -0.76 0.00 0.00 -1.35 0.00 0.00 41.12 39.60 1i5a n ASP 450 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1i5a n GLY 451 N -0.84 -0.56 0.14 6.12 0.00 -1.25 -4.53 105.19 104.28 1i5a n GLY 451 Ca 0.56 -1.52 0.13 0.00 0.00 0.00 0.00 46.02 45.19 1i5a n GLY 451 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1i5a h ARG 452 N 0.00 0.00 0.00 1.61 0.11 -1.61 -2.70 114.38 111.79 1i5a h ARG 452 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1i5a h ARG 452 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 1i5a h ARG 452 CO 0.00 0.00 0.00 0.41 0.10 0.00 0.00 179.97 180.48 1i5a n GLY 453 N 0.45 -1.98 3.72 0.08 0.00 -1.26 0.90 105.19 107.10 1i5a n GLY 453 Ca 0.03 -1.48 -0.42 0.00 0.00 0.00 0.00 46.02 44.15 1i5a n GLY 453 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1i5a s ILE 454 N -3.17 2.60 -0.82 -0.61 1.01 -1.26 -4.80 121.20 114.15 1i5a s ILE 454 Ca 0.00 0.43 -0.26 0.00 0.00 0.00 0.00 60.65 60.83 1i5a s ILE 454 Cb 0.00 -3.28 0.02 0.00 0.01 0.00 0.00 42.46 39.21 1i5a s ILE 454 CO 0.00 0.04 1.49 -0.62 0.00 0.00 0.00 174.94 175.85 1i5a s ASP 455 N 1.10 6.01 0.34 3.58 3.68 -1.26 -4.75 116.67 125.36 1i5a s ASP 455 Ca 0.70 -0.63 0.08 0.00 2.13 0.00 0.00 52.55 54.82 1i5a s ASP 455 Cb -0.44 -2.56 0.62 0.00 -1.45 0.00 0.00 42.92 39.10 1i5a s ASP 455 CO 0.32 -1.93 1.82 0.11 0.13 0.00 0.00 175.17 175.62 1i5a h LYS 456 N 10.90 0.26 -0.45 4.34 1.57 -2.00 -2.85 116.57 128.35 1i5a h LYS 456 Ca -0.10 -0.08 -0.11 0.00 -1.87 0.00 0.00 60.65 58.49 1i5a h LYS 456 Cb 1.05 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.32 1i5a h LYS 456 CO 1.31 0.50 -0.17 1.49 -0.57 0.00 0.00 179.45 182.00 1i5a h GLU 457 N 0.23 0.86 -0.96 3.15 4.57 -2.00 -2.20 114.58 118.23 1i5a h GLU 457 Ca 0.04 -0.33 0.06 0.00 -1.18 0.00 0.00 59.36 57.95 1i5a h GLU 457 Cb 0.57 -0.05 -0.06 0.00 -0.16 0.00 0.00 28.75 29.05 1i5a h GLU 457 CO 0.04 0.96 0.62 -0.22 -1.18 0.00 0.00 179.01 179.23 1i5a h LYS 458 N 0.76 1.11 -0.22 1.92 3.64 -1.92 0.19 116.57 122.05 1i5a h LYS 458 Ca 0.11 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.40 1i5a h LYS 458 Cb 0.69 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 1i5a h LYS 458 CO 0.05 0.73 0.02 0.82 -2.27 0.00 0.00 179.45 178.81 1i5a h ILE 459 N 1.14 1.24 -0.35 2.00 2.04 -1.40 -1.73 117.51 120.45 1i5a h ILE 459 Ca 0.41 -0.79 0.04 0.00 1.00 0.00 0.00 64.86 65.51 1i5a h ILE 459 Cb 0.12 1.33 -0.04 0.00 -0.74 0.00 0.00 36.82 37.50 1i5a h ILE 459 CO -0.16 0.25 0.13 0.40 0.00 0.00 0.00 178.15 178.77 1i5a h ILE 460 N 0.16 0.91 -0.79 -0.67 2.04 -0.74 0.41 117.51 118.83 1i5a h ILE 460 Ca 0.07 -0.10 0.03 0.00 1.00 0.00 0.00 64.86 65.85 1i5a h ILE 460 Cb 0.35 0.60 -0.05 0.00 -0.74 0.00 0.00 36.82 36.98 1i5a h ILE 460 CO 0.01 0.05 0.51 0.03 0.00 0.00 0.00 178.15 178.75 1i5a h ARG 461 N 0.28 0.97 -0.54 2.37 3.08 -0.91 -0.96 114.38 118.68 1i5a h ARG 461 Ca 0.16 -0.06 -0.08 0.00 0.07 0.00 0.00 59.98 60.07 1i5a h ARG 461 Cb 0.12 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 29.93 1i5a h ARG 461 CO -0.15 0.65 0.00 0.87 -1.07 0.00 0.00 179.97 180.26 1i5a h LYS 462 N 1.00 0.91 -0.36 0.04 1.57 -0.59 -1.01 116.57 118.14 1i5a h LYS 462 Ca 0.31 -0.26 -0.09 0.00 -1.87 0.00 0.00 60.65 58.73 1i5a h LYS 462 Cb -0.03 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 1i5a h LYS 462 CO -0.10 0.90 -0.15 0.00 -0.57 0.00 0.00 179.45 179.53 1i5a h ALA 463 N 1.15 1.06 -0.33 3.86 0.00 -0.33 -1.56 119.26 123.11 1i5a h ALA 463 Ca 0.16 -0.32 -0.15 0.00 0.00 0.00 0.00 54.91 54.60 1i5a h ALA 463 Cb 0.50 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1i5a h ALA 463 CO 0.02 0.57 -0.38 0.82 0.00 0.00 0.00 179.25 180.28 1i5a h ILE 464 N 0.59 1.28 -0.73 0.00 2.04 -0.95 -1.28 117.51 118.46 1i5a h ILE 464 Ca 0.10 -1.56 -0.02 0.00 1.00 0.00 0.00 64.86 64.38 1i5a h ILE 464 Cb 0.59 1.51 -0.03 0.00 -0.74 0.00 0.00 36.82 38.15 1i5a h ILE 464 CO 0.04 0.51 0.37 -0.08 0.00 0.00 0.00 178.15 178.99 1i5a h GLU 465 N 0.63 1.03 0.00 2.37 4.81 -0.94 -1.28 114.58 121.21 1i5a h GLU 465 Ca 0.05 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1i5a h GLU 465 Cb 0.97 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.16 1i5a h GLU 465 CO 0.09 0.78 0.00 1.63 -0.73 0.00 0.00 179.01 180.78 1i5a n LYS 466 N -4.34 0.91 -1.01 1.92 5.02 -0.61 -4.88 118.16 115.17 1i5a n LYS 466 Ca 0.07 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.36 1i5a n LYS 466 Cb 0.12 -1.50 -0.00 0.00 -0.02 0.00 0.00 35.03 33.63 1i5a n LYS 466 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1i5a n GLY 467 N 0.93 0.37 0.26 0.72 0.00 -0.48 -4.90 105.19 102.08 1i5a n GLY 467 Ca 0.22 -0.05 -0.05 0.00 0.00 0.00 0.00 46.02 46.15 1i5a n GLY 467 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1i5a h LEU 468 N 0.00 0.63 -8.08 0.99 4.07 -1.46 -3.46 115.31 108.00 1i5a h LEU 468 Ca -0.01 -0.20 -0.11 0.00 0.08 0.00 0.00 57.88 57.64 1i5a h LEU 468 Cb 0.35 -0.17 -0.13 0.00 1.08 0.00 0.00 40.66 41.78 1i5a h LEU 468 CO 0.01 0.82 -0.40 0.27 -1.08 0.00 0.00 178.44 178.05 1i5a s ILE 469 N -4.65 0.10 0.39 1.22 -4.36 -1.21 -5.04 121.20 107.65 1i5a s ILE 469 Ca -0.08 -1.44 0.04 0.00 -0.26 0.00 0.00 60.65 58.91 1i5a s ILE 469 Cb 0.14 -1.73 0.04 0.00 1.25 0.00 0.00 42.46 42.16 1i5a s ILE 469 CO 0.81 -0.45 0.34 -0.90 0.24 0.00 0.00 174.94 174.97 1i5a n ASP 470 N -0.14 2.12 -0.16 4.36 3.85 -1.26 -4.22 116.55 121.09 1i5a n ASP 470 Ca -0.09 -2.30 -0.07 0.00 -0.71 0.00 0.00 54.79 51.62 1i5a n ASP 470 Cb 0.63 -0.08 0.09 0.00 -1.35 0.00 0.00 41.12 40.41 1i5a n ASP 470 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.20 176.11 1i5a h GLU 471 N 0.00 0.94 0.14 0.11 4.22 -1.98 -0.45 114.58 117.57 1i5a h GLU 471 Ca -0.24 -0.27 -0.01 0.00 0.08 0.00 0.00 59.36 58.92 1i5a h GLU 471 Cb 0.90 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.05 1i5a h GLU 471 CO 0.37 0.93 -0.07 0.77 -2.18 0.00 0.00 179.01 178.83 1i5a h SER 472 N 0.87 -0.16 -0.46 1.04 0.02 -2.00 -2.64 113.55 110.21 1i5a h SER 472 Ca 0.16 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1i5a h SER 472 Cb 0.50 0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.06 1i5a h SER 472 CO 0.02 -0.01 0.29 0.50 -1.14 0.00 0.00 176.83 176.49 1i5a h LYS 473 N -0.31 0.61 -0.85 3.45 1.63 -1.95 -2.62 116.57 116.53 1i5a h LYS 473 Ca -0.02 -0.05 0.18 0.00 -0.85 0.00 0.00 60.65 59.91 1i5a h LYS 473 Cb 0.25 -0.13 -0.06 0.00 -0.60 0.00 0.00 32.23 31.68 1i5a h LYS 473 CO 0.03 0.43 0.56 0.00 -3.45 0.00 0.00 179.45 177.03 1i5a h ALA 474 N 1.15 2.11 0.00 5.00 0.00 -0.96 0.17 119.26 126.73 1i5a h ALA 474 Ca 0.17 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1i5a h ALA 474 Cb -0.03 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1i5a h ALA 474 CO -0.03 -0.36 0.00 0.00 0.00 0.00 0.00 179.25 178.85 1i5a n ALA 475 N -2.50 1.74 0.97 0.00 0.00 -0.99 -2.86 120.51 116.87 1i5a n ALA 475 Ca 0.17 0.06 0.10 0.00 0.00 0.00 0.00 53.44 53.78 1i5a n ALA 475 Cb 0.61 -1.39 -0.06 0.00 0.00 0.00 0.00 19.45 18.61 1i5a n ALA 475 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1i5a n THR 476 N -2.19 0.00 -2.12 0.00 -2.24 0.59 -4.99 114.28 103.33 1i5a n THR 476 Ca 0.03 -0.01 -0.37 0.00 -2.27 0.00 0.00 64.05 61.42 1i5a n THR 476 Cb 0.25 0.84 0.01 0.00 -2.10 0.00 0.00 70.33 69.33 1i5a n THR 476 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1i5a s LEU 477 N -3.05 3.96 0.51 3.22 1.43 -1.13 -5.04 118.68 118.58 1i5a s LEU 477 Ca 0.08 2.44 -0.04 0.00 -1.03 0.00 0.00 54.13 55.58 1i5a s LEU 477 Cb 0.16 -4.26 -0.01 0.00 0.03 0.00 0.00 46.19 42.11 1i5a s LEU 477 CO 0.84 -1.12 0.79 -0.94 0.23 0.00 0.00 176.35 176.16 1i5a s SER 478 N -1.25 5.88 0.17 2.29 1.04 -1.26 -4.92 113.70 115.66 1i5a s SER 478 Ca 0.66 0.66 -0.14 0.00 0.48 0.00 0.00 55.95 57.61 1i5a s SER 478 Cb -0.32 -1.84 0.11 0.00 0.10 0.00 0.00 66.02 64.07 1i5a s SER 478 CO 0.38 -0.80 1.79 0.44 0.98 0.00 0.00 173.24 176.03 1i5a h ASP 479 N 0.13 0.37 -0.87 7.02 3.45 -1.99 -0.67 116.42 123.85 1i5a h ASP 479 Ca -0.46 0.02 0.01 0.00 0.43 0.00 0.00 57.03 57.03 1i5a h ASP 479 Cb 1.24 -0.05 -0.04 0.00 -0.56 0.00 0.00 39.33 39.91 1i5a h ASP 479 CO 0.60 0.26 0.58 0.06 -1.57 0.00 0.00 179.24 179.17 1i5a h GLN 480 N 0.49 1.13 -0.77 3.56 3.07 -1.94 0.27 115.11 120.93 1i5a h GLN 480 Ca 0.21 -0.07 -0.05 0.00 0.09 0.00 0.00 58.65 58.83 1i5a h GLN 480 Cb 0.10 -0.26 -0.03 0.00 0.08 0.00 0.00 27.48 27.37 1i5a h GLN 480 CO -0.14 0.75 0.30 1.49 0.09 0.00 0.00 178.83 181.32 1i5a h GLU 481 N 1.16 1.16 -0.05 0.06 4.81 -1.73 -1.26 114.58 118.73 1i5a h GLU 481 Ca 0.32 -0.22 -0.02 0.00 -0.13 0.00 0.00 59.36 59.32 1i5a h GLU 481 Cb -0.11 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.08 1i5a h GLU 481 CO -0.08 0.95 -0.03 0.82 -0.73 0.00 0.00 179.01 179.94 1i5a h ILE 482 N 1.12 1.35 -0.41 2.32 2.04 -0.25 -3.19 117.51 120.48 1i5a h ILE 482 Ca 0.26 -1.09 0.00 0.00 1.00 0.00 0.00 64.86 65.03 1i5a h ILE 482 Cb 0.23 1.97 -0.02 0.00 -0.74 0.00 0.00 36.82 38.26 1i5a h ILE 482 CO -0.02 0.30 0.27 -0.07 0.00 0.00 0.00 178.15 178.63 1i5a h LEU 483 N -0.30 0.47 -2.57 1.44 3.38 -0.82 -2.24 115.31 114.67 1i5a h LEU 483 Ca 0.01 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1i5a h LEU 483 Cb 0.49 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 1i5a h LEU 483 CO 0.01 0.34 -0.00 0.78 0.09 0.00 0.00 178.44 179.66 1i5a h ASN 484 N 0.56 0.00 0.01 -0.43 2.35 -1.21 -1.30 115.58 115.55 1i5a h ASN 484 Ca 0.15 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.90 1i5a h ASN 484 Cb -0.06 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.31 1i5a h ASN 484 CO -0.03 0.00 -0.00 -0.26 -1.65 0.00 0.00 177.43 175.49 1i5a h PHE 485 N 0.00 0.00 0.00 1.19 -1.00 -1.49 -0.45 116.94 115.19 1i5a h PHE 485 Ca -0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1i5a h PHE 485 Cb 0.14 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.70 1i5a h PHE 485 CO 0.00 0.00 0.00 -0.07 -1.61 0.00 0.00 178.31 176.63 1i5a h LEU 486 N 0.00 0.00 -0.18 1.54 4.07 -1.42 -2.38 115.31 116.93 1i5a h LEU 486 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1i5a h LEU 486 Cb 0.01 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.75 1i5a h LEU 486 CO 0.00 0.00 -0.81 0.49 -1.08 0.00 0.00 178.44 177.04 1i5a n PHE 487 N -2.58 0.00 -2.27 1.13 0.99 -0.18 -4.31 117.46 110.25 1i5a n PHE 487 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 57.45 57.03 1i5a n PHE 487 Cb 0.19 -0.04 -0.02 0.00 -1.00 0.00 0.00 39.48 38.60 1i5a n PHE 487 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.76 176.84 1i5a s VAL 488 N -2.90 3.97 0.16 -4.37 1.01 -0.90 -4.72 120.40 112.65 1i5a s VAL 488 Ca 0.11 1.22 -0.34 0.00 0.00 0.00 0.00 61.98 62.98 1i5a s VAL 488 Cb 0.17 -3.79 -0.13 0.00 0.00 0.00 0.00 36.38 32.62 1i5a s VAL 488 CO 0.78 -0.08 1.61 -0.81 0.00 0.00 0.00 175.10 176.61 1i5a n PRO 489 N 6.39 2.24 -0.49 2.72 -0.04 -1.26 -1.78 135.00 142.77 1i5a n PRO 489 Ca 0.14 0.81 0.00 0.00 -0.04 0.00 0.00 63.50 64.41 1i5a n PRO 489 Cb 0.44 -2.59 0.00 0.00 -0.04 0.00 0.00 33.50 31.31 1i5a n PRO 489 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1i5a n GLY 490 N 3.53 1.20 0.06 0.55 0.00 -1.26 -4.94 105.19 104.34 1i5a n GLY 490 Ca 0.17 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.07 1i5a n GLY 490 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1i5a h PHE 491 N 0.00 0.05 -3.28 1.61 3.57 -1.65 -3.43 116.94 113.81 1i5a h PHE 491 Ca 0.00 -0.01 -0.57 0.00 3.53 0.00 0.00 57.97 60.92 1i5a h PHE 491 Cb 0.00 -0.01 -0.05 0.00 2.79 0.00 0.00 35.95 38.68 1i5a h PHE 491 CO 0.00 0.36 -0.01 -1.12 -2.23 0.00 0.00 178.31 175.31 1i5a s SER 492 N -5.58 7.05 0.45 0.41 0.01 -1.26 -5.05 113.70 109.73 1i5a s SER 492 Ca -0.15 1.25 -0.24 0.00 1.31 0.00 0.00 55.95 58.12 1i5a s SER 492 Cb 0.04 -2.37 -0.08 0.00 0.21 0.00 0.00 66.02 63.82 1i5a s SER 492 CO 0.68 0.21 1.28 0.42 0.41 0.00 0.00 173.24 176.23 1i5a s THR 493 N -0.78 2.65 0.00 1.44 -4.23 -1.26 -5.04 115.64 108.42 1i5a s THR 493 Ca 0.30 0.54 0.00 0.00 -1.18 0.00 0.00 61.69 61.35 1i5a s THR 493 Cb -0.19 -3.30 0.00 0.00 1.34 0.00 0.00 72.50 70.35 1i5a s THR 493 CO 0.19 0.04 0.00 0.29 -0.54 0.00 0.00 174.62 174.60 1i5a n LYS 494 N -0.26 3.93 -0.09 3.99 5.02 -1.26 -5.13 118.16 124.36 1i5a n LYS 494 Ca 0.06 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.22 1i5a n LYS 494 Cb 0.45 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.42 1i5a n LYS 494 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1i5a n GLU 495 N 0.00 0.50 -1.72 1.97 4.71 -1.26 -5.26 120.64 119.58 1i5a n GLU 495 Ca 0.00 0.20 -0.33 0.00 -0.01 0.00 0.00 57.16 57.03 1i5a n GLU 495 Cb 0.00 -1.37 0.05 0.00 -1.01 0.00 0.00 31.44 29.11 1i5a n GLU 495 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1i5a n GLY 504 N 1.56 5.94 0.41 0.62 0.00 -1.26 -5.35 105.19 107.11 1i5a n GLY 504 Ca -0.22 -2.47 -0.05 0.00 0.00 0.00 0.00 46.02 43.28 1i5a n GLY 504 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1i5a n VAL 505 N -0.75 0.00 0.00 1.61 0.24 -1.26 -4.68 118.33 113.49 1i5a n VAL 505 Ca 0.54 -0.07 0.00 0.00 -2.04 0.00 0.00 64.34 62.78 1i5a n VAL 505 Cb 0.65 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.02 1i5a n VAL 505 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1i5a n GLY 506 N 0.44 1.38 0.31 7.63 0.00 -1.26 -4.75 105.19 108.94 1i5a n GLY 506 Ca -0.00 -2.09 0.12 0.00 0.00 0.00 0.00 46.02 44.05 1i5a n GLY 506 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1i5a h MET 507 N 0.00 0.09 0.71 1.61 -1.53 -1.95 -2.50 114.93 111.36 1i5a h MET 507 Ca 0.00 -0.01 -0.03 0.00 -3.44 0.00 0.00 59.70 56.22 1i5a h MET 507 Cb 0.00 -0.02 -0.00 0.00 -0.55 0.00 0.00 31.60 31.03 1i5a h MET 507 CO 0.00 0.06 -0.42 -0.44 0.14 0.00 0.00 176.91 176.25 1i5a h ASP 508 N 0.10 -1.05 -0.58 1.39 3.45 -1.85 -1.57 116.42 116.32 1i5a h ASP 508 Ca 0.12 0.06 0.06 0.00 0.43 0.00 0.00 57.03 57.70 1i5a h ASP 508 Cb 0.37 0.30 -0.03 0.00 -0.56 0.00 0.00 39.33 39.41 1i5a h ASP 508 CO -0.01 -0.66 0.39 0.58 -1.57 0.00 0.00 179.24 177.97 1i5a h VAL 509 N -1.05 0.99 -0.13 -1.35 2.07 -1.73 -0.68 116.25 114.37 1i5a h VAL 509 Ca -0.09 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 1i5a h VAL 509 Cb 0.84 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 1i5a h VAL 509 CO 0.10 0.10 0.03 0.58 0.02 0.00 0.00 177.57 178.40 1i5a h VAL 510 N 0.56 1.21 -0.34 2.57 2.07 -1.19 -1.35 116.25 119.78 1i5a h VAL 510 Ca 0.25 -0.66 -0.02 0.00 0.82 0.00 0.00 66.70 67.09 1i5a h VAL 510 Cb 0.28 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 1i5a h VAL 510 CO -0.07 0.19 0.14 0.50 0.02 0.00 0.00 177.57 178.35 1i5a h LYS 511 N -0.01 0.51 -0.28 1.57 3.64 -0.58 -1.31 116.57 120.11 1i5a h LYS 511 Ca 0.04 -0.09 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1i5a h LYS 511 Cb 0.28 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 1i5a h LYS 511 CO 0.00 0.51 0.17 -0.91 -2.27 0.00 0.00 179.45 176.95 1i5a h ASN 512 N 0.40 0.34 -0.32 4.20 -0.26 -1.12 0.22 115.58 119.04 1i5a h ASN 512 Ca 0.11 -0.04 -0.01 0.00 -0.56 0.00 0.00 56.30 55.80 1i5a h ASN 512 Cb 0.19 -0.09 -0.01 0.00 -1.06 0.00 0.00 38.32 37.35 1i5a h ASN 512 CO -0.01 0.28 0.15 0.58 -1.06 0.00 0.00 177.43 177.37 1i5a h VAL 513 N 0.37 1.17 -0.78 2.81 2.07 -1.18 -0.81 116.25 119.89 1i5a h VAL 513 Ca 0.10 -0.48 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 1i5a h VAL 513 Cb 0.00 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 30.63 1i5a h VAL 513 CO -0.02 0.17 0.46 0.58 0.02 0.00 0.00 177.57 178.78 1i5a h VAL 514 N 0.37 1.22 0.00 2.57 2.07 -0.99 -2.25 116.25 119.25 1i5a h VAL 514 Ca 0.11 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 67.12 1i5a h VAL 514 Cb 0.14 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.06 1i5a h VAL 514 CO -0.01 0.24 0.00 -0.33 0.02 0.00 0.00 177.57 177.49 1i5a h GLU 515 N 1.07 0.00 0.00 1.57 5.08 -0.29 0.11 114.58 122.12 1i5a h GLU 515 Ca 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 1i5a h GLU 515 Cb -0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1i5a h GLU 515 CO -0.05 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 176.83 1i5a n SER 516 N -2.97 0.25 -1.18 1.42 3.41 -0.33 -1.34 113.62 112.87 1i5a n SER 516 Ca 0.02 0.53 0.11 0.00 -0.26 0.00 0.00 58.87 59.27 1i5a n SER 516 Cb 0.35 -0.60 0.26 0.00 -0.26 0.00 0.00 64.21 63.97 1i5a n SER 516 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1i5a n LEU 517 N -1.74 3.64 -2.08 1.04 4.77 -0.90 -4.91 117.00 116.81 1i5a n LEU 517 Ca 0.05 -1.85 -0.16 0.00 -0.03 0.00 0.00 56.01 54.03 1i5a n LEU 517 Cb 0.31 -0.38 0.02 0.00 -2.33 0.00 0.00 43.42 41.04 1i5a n LEU 517 CO 0.24 0.87 -0.06 0.59 -1.33 0.00 0.00 177.39 177.70 1i5a n ASN 518 N 1.42 -4.79 -4.90 -1.43 3.02 -0.45 -4.67 115.26 103.46 1i5a n ASN 518 Ca 0.21 -0.14 -0.19 0.00 -0.03 0.00 0.00 54.58 54.42 1i5a n ASN 518 Cb 0.58 -3.74 0.06 0.00 -0.61 0.00 0.00 39.78 36.08 1i5a n ASN 518 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1i5a n GLY 519 N -1.22 1.99 3.03 7.41 0.00 -0.02 -4.44 105.19 111.94 1i5a n GLY 519 Ca -0.12 -2.23 -0.09 0.00 0.00 0.00 0.00 46.02 43.58 1i5a n GLY 519 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1i5a s SER 520 N -4.54 0.47 -0.01 1.61 0.15 -0.43 -4.13 113.70 106.81 1i5a s SER 520 Ca 0.59 -0.65 0.01 0.00 0.70 0.00 0.00 55.95 56.60 1i5a s SER 520 Cb -0.05 0.11 0.01 0.00 -1.71 0.00 0.00 66.02 64.38 1i5a s SER 520 CO 0.38 -0.36 -0.02 -0.51 1.20 0.00 0.00 173.24 173.93 1i5a s ILE 521 N -2.13 0.22 0.12 6.45 2.07 -1.26 -0.70 121.20 125.97 1i5a s ILE 521 Ca -0.08 -0.06 0.02 0.00 -1.41 0.00 0.00 60.65 59.12 1i5a s ILE 521 Cb -0.05 -0.23 -0.04 0.00 0.13 0.00 0.00 42.46 42.27 1i5a s ILE 521 CO -0.03 0.09 -0.06 -0.94 -1.91 0.00 0.00 174.94 172.09 1i5a s SER 522 N 0.27 1.29 0.05 4.50 1.04 0.01 -4.99 113.70 115.88 1i5a s SER 522 Ca -0.02 -1.04 0.04 0.00 0.48 0.00 0.00 55.95 55.40 1i5a s SER 522 Cb -0.05 0.08 -0.02 0.00 0.10 0.00 0.00 66.02 66.12 1i5a s SER 522 CO -0.01 -0.46 -0.11 -0.63 0.98 0.00 0.00 173.24 173.01 1i5a s ILE 523 N -3.57 0.85 -0.07 -1.02 1.01 -1.26 -0.77 121.20 116.36 1i5a s ILE 523 Ca 0.15 -1.12 -0.13 0.00 0.00 0.00 0.00 60.65 59.55 1i5a s ILE 523 Cb 0.05 -0.84 0.03 0.00 0.01 0.00 0.00 42.46 41.71 1i5a s ILE 523 CO -0.02 -0.24 0.33 -1.83 0.00 0.00 0.00 174.94 173.18 1i5a s GLU 524 N -1.52 0.54 -0.03 2.79 -1.05 -0.71 -4.99 118.70 113.73 1i5a s GLU 524 Ca -0.05 0.15 -0.30 0.00 -0.15 0.00 0.00 54.97 54.62 1i5a s GLU 524 Cb -0.09 0.25 0.07 0.00 -0.44 0.00 0.00 34.13 33.91 1i5a s GLU 524 CO 0.01 -0.12 0.67 0.45 0.95 0.00 0.00 175.26 177.23 1i5a s SER 525 N -0.56 -0.65 -0.03 0.83 0.15 -1.26 -0.94 113.70 111.23 1i5a s SER 525 Ca -0.07 0.64 0.02 0.00 0.70 0.00 0.00 55.95 57.24 1i5a s SER 525 Cb -0.04 0.55 0.01 0.00 -1.71 0.00 0.00 66.02 64.83 1i5a s SER 525 CO 0.02 -0.65 -0.07 -1.61 1.20 0.00 0.00 173.24 172.14 1i5a s GLU 526 N -1.46 0.86 0.04 5.44 0.41 -0.88 -4.92 118.70 118.17 1i5a s GLU 526 Ca -0.10 -0.21 -0.37 0.00 -0.41 0.00 0.00 54.97 53.88 1i5a s GLU 526 Cb -0.00 -0.82 -0.17 0.00 -1.78 0.00 0.00 34.13 31.37 1i5a s GLU 526 CO 0.08 0.03 1.39 1.17 -0.49 0.00 0.00 175.26 177.44 1i5a n LYS 527 N 3.56 1.14 -0.55 1.61 4.81 -1.26 -0.78 118.16 126.68 1i5a n LYS 527 Ca -0.21 0.41 0.00 0.00 -0.87 0.00 0.00 58.31 57.64 1i5a n LYS 527 Cb 0.53 -2.06 0.00 0.00 0.02 0.00 0.00 35.03 33.53 1i5a n LYS 527 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1i5a n ASP 528 N 2.90 -0.81 -0.10 3.14 8.00 0.26 -4.70 116.55 125.24 1i5a n ASP 528 Ca 0.19 0.00 -0.24 0.00 0.71 0.00 0.00 54.79 55.46 1i5a n ASP 528 Cb 0.18 -2.54 -0.11 0.00 -0.02 0.00 0.00 41.12 38.63 1i5a n ASP 528 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1i5a n LYS 529 N -1.48 0.63 -0.66 -1.24 4.01 0.04 -4.67 118.16 114.78 1i5a n LYS 529 Ca 0.00 0.31 0.00 0.00 -0.51 0.00 0.00 58.31 58.11 1i5a n LYS 529 Cb 0.07 -1.60 0.00 0.00 -0.51 0.00 0.00 35.03 32.99 1i5a n LYS 529 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1i5a n GLY 530 N 1.65 0.55 2.94 0.72 0.00 -0.84 -3.85 105.19 106.37 1i5a n GLY 530 Ca -0.43 -1.81 -0.12 0.00 0.00 0.00 0.00 46.02 43.65 1i5a n GLY 530 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1i5a s THR 531 N -1.93 0.20 -0.08 2.61 2.01 -0.77 -2.08 115.64 115.60 1i5a s THR 531 Ca 0.00 -0.42 -0.00 0.00 0.31 0.00 0.00 61.69 61.57 1i5a s THR 531 Cb 0.00 -0.23 0.02 0.00 0.01 0.00 0.00 72.50 72.30 1i5a s THR 531 CO 0.00 -0.15 -0.05 -0.75 -0.69 0.00 0.00 174.62 172.99 1i5a s LYS 532 N -0.60 1.09 -0.16 4.92 2.20 -0.12 -1.25 119.74 125.82 1i5a s LYS 532 Ca -0.05 -0.11 -0.05 0.00 -0.36 0.00 0.00 55.97 55.41 1i5a s LYS 532 Cb -0.04 -1.23 -0.03 0.00 -1.51 0.00 0.00 37.83 35.01 1i5a s LYS 532 CO -0.00 -0.23 -0.01 0.08 -0.36 0.00 0.00 175.35 174.83 1i5a s VAL 533 N 1.63 4.18 -0.11 4.02 1.01 -0.56 -1.74 120.40 128.82 1i5a s VAL 533 Ca 0.01 -0.26 0.03 0.00 0.00 0.00 0.00 61.98 61.76 1i5a s VAL 533 Cb -0.13 -2.85 -0.00 0.00 0.00 0.00 0.00 36.38 33.40 1i5a s VAL 533 CO -0.05 0.48 -0.20 -0.89 0.00 0.00 0.00 175.10 174.44 1i5a s THR 534 N 0.35 2.37 -0.11 3.92 2.01 0.05 -1.28 115.64 122.94 1i5a s THR 534 Ca -0.02 -0.90 0.03 0.00 0.31 0.00 0.00 61.69 61.11 1i5a s THR 534 Cb -0.14 -1.94 -0.00 0.00 0.01 0.00 0.00 72.50 70.43 1i5a s THR 534 CO 0.02 0.55 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.65 1i5a s ILE 535 N 0.40 2.21 -0.18 1.82 1.01 0.77 -0.81 121.20 126.42 1i5a s ILE 535 Ca -0.15 -0.96 -0.04 0.00 0.00 0.00 0.00 60.65 59.50 1i5a s ILE 535 Cb -0.17 -1.87 -0.02 0.00 0.01 0.00 0.00 42.46 40.41 1i5a s ILE 535 CO 0.07 0.55 -0.03 -0.13 0.00 0.00 0.00 174.94 175.40 1i5a s ARG 536 N 0.45 3.58 -0.04 2.79 0.52 0.12 -0.56 118.95 125.81 1i5a s ARG 536 Ca -0.15 -0.55 0.05 0.00 -0.52 0.00 0.00 55.73 54.56 1i5a s ARG 536 Cb -0.17 -2.98 -0.02 0.00 0.52 0.00 0.00 34.95 32.29 1i5a s ARG 536 CO 0.06 0.07 -0.18 -0.51 0.02 0.00 0.00 175.30 174.76 1i5a s LEU 537 N 0.83 2.53 0.48 2.53 1.43 0.04 -1.32 118.68 125.19 1i5a s LEU 537 Ca -0.01 -0.29 -0.19 0.00 -1.03 0.00 0.00 54.13 52.62 1i5a s LEU 537 Cb -0.14 -1.49 -0.09 0.00 0.03 0.00 0.00 46.19 44.50 1i5a s LEU 537 CO 0.02 0.34 0.99 -2.16 0.23 0.00 0.00 176.35 175.76 1i5a s PRO 538 N -0.72 3.98 0.10 1.29 0.04 -1.26 -0.75 135.00 137.68 1i5a s PRO 538 Ca 0.11 1.13 -0.30 0.00 0.04 0.00 0.00 61.00 61.98 1i5a s PRO 538 Cb -0.10 -2.14 -0.06 0.00 0.04 0.00 0.00 34.50 32.24 1i5a s PRO 538 CO 0.00 -0.25 1.16 -1.17 0.04 0.00 0.00 177.00 176.78 1i5a s LEU 539 N -3.62 4.41 0.00 -3.56 1.98 -0.97 -4.84 118.68 112.09 1i5a s LEU 539 Ca 0.62 2.04 0.31 0.00 -2.89 0.00 0.00 54.13 54.21 1i5a s LEU 539 Cb -0.11 -3.59 1.68 0.00 0.66 0.00 0.00 46.19 44.83 1i5a s LEU 539 CO 0.22 -0.39 2.10 0.35 -1.89 0.00 0.00 176.35 176.74