#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i5a s HIS 354 N 0.00 1.70 0.16 7.33 4.02 -1.26 -4.98 115.29 122.26 1i5a s HIS 354 Ca 0.00 0.30 0.05 0.00 1.02 0.00 0.00 55.06 56.44 1i5a s HIS 354 Cb 0.00 -4.03 -0.04 0.00 -1.02 0.00 0.00 32.58 27.49 1i5a s HIS 354 CO 0.00 -3.82 0.10 -1.64 1.02 0.00 0.00 174.74 170.40 1i5a s MET 355 N 4.98 2.79 -0.03 1.40 1.00 -1.26 -1.03 119.30 127.14 1i5a s MET 355 Ca 0.82 -0.91 -0.12 0.00 0.00 0.00 0.00 55.69 55.48 1i5a s MET 355 Cb -0.31 -2.59 0.02 0.00 0.00 0.00 0.00 34.83 31.95 1i5a s MET 355 CO 0.33 0.48 0.26 0.14 0.00 0.00 0.00 175.02 176.23 1i5a s VAL 356 N -1.72 0.05 0.45 -6.03 -7.23 -0.73 -4.85 120.40 100.34 1i5a s VAL 356 Ca 0.30 -0.44 -0.25 0.00 -1.81 0.00 0.00 61.98 59.77 1i5a s VAL 356 Cb -0.10 -0.52 -0.08 0.00 0.56 0.00 0.00 36.38 36.23 1i5a s VAL 356 CO 0.22 -0.24 1.44 -0.81 -0.31 0.00 0.00 175.10 175.40 1i5a n PRO 357 N 1.64 2.27 0.00 4.82 -0.04 -1.26 -2.11 135.00 140.32 1i5a n PRO 357 Ca -0.20 0.81 0.05 0.00 -0.04 0.00 0.00 63.50 64.12 1i5a n PRO 357 Cb 0.56 -2.64 0.30 0.00 -0.04 0.00 0.00 33.50 31.69 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 -0.19 0.41 0.28 0.52 3.06 0.12 -2.59 119.36 120.96 1i5a n ILE 358 Ca 0.05 0.10 0.12 0.00 -2.50 0.00 0.00 62.75 60.53 1i5a n ILE 358 Cb 0.41 -0.92 0.78 0.00 0.54 0.00 0.00 39.64 40.45 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 0.07 9.51 4.64 -1.45 0.30 113.55 126.62 1i5a h SER 359 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1i5a h SER 359 Cb 0.06 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1i5a h SER 359 CO 0.00 0.04 -0.03 -0.26 -0.87 0.00 0.00 176.83 175.71 1i5a h PHE 360 N 0.00 0.00 0.05 4.77 0.04 -1.80 0.17 116.94 120.17 1i5a h PHE 360 Ca -0.00 0.00 -0.30 0.00 2.80 0.00 0.00 57.97 60.47 1i5a h PHE 360 Cb 0.10 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.22 1i5a h PHE 360 CO 0.00 0.03 -1.65 0.28 -0.60 0.00 0.00 178.31 176.38 1i5a n VAL 361 N -4.02 1.63 -0.02 -0.55 0.31 -0.01 -4.57 118.33 111.10 1i5a n VAL 361 Ca -0.03 -0.31 -0.09 0.00 -0.01 0.00 0.00 64.34 63.90 1i5a n VAL 361 Cb 0.12 -1.90 0.06 0.00 -0.91 0.00 0.00 33.84 31.21 1i5a n VAL 361 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 1i5a h PHE 362 N -0.56 0.75 -1.00 3.52 -1.00 -0.85 -3.37 116.94 114.44 1i5a h PHE 362 Ca -0.40 -0.25 0.35 0.00 2.81 0.00 0.00 57.97 60.48 1i5a h PHE 362 Cb 1.62 -0.15 -0.18 0.00 3.61 0.00 0.00 35.95 40.85 1i5a h PHE 362 CO 0.08 0.98 0.32 -0.91 -1.61 0.00 0.00 178.31 177.17 1i5a h ASN 363 N 0.49 -0.02 1.05 2.17 2.35 -0.91 0.33 115.58 121.04 1i5a h ASN 363 Ca 0.02 0.27 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 1i5a h ASN 363 Cb 1.02 0.36 0.00 0.00 0.05 0.00 0.00 38.32 39.75 1i5a h ASN 363 CO 0.10 -0.39 0.00 -2.11 -1.65 0.00 0.00 177.43 173.37 1i5a n ARG 364 N -5.35 0.04 -0.09 0.81 1.85 -1.26 -4.23 116.66 108.43 1i5a n ARG 364 Ca 0.31 0.04 -0.12 0.00 -1.00 0.00 0.00 57.85 57.08 1i5a n ARG 364 Cb 1.05 -1.54 -0.04 0.00 -1.05 0.00 0.00 32.46 30.87 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 0.00 0.62 -0.71 2.89 0.05 -1.17 -3.15 116.94 115.47 1i5a h PHE 365 Ca 0.00 -0.14 0.16 0.00 3.82 0.00 0.00 57.97 61.80 1i5a h PHE 365 Cb 0.53 -0.15 -0.12 0.00 2.00 0.00 0.00 35.95 38.20 1i5a h PHE 365 CO 0.00 0.77 -0.02 -1.35 -0.18 0.00 0.00 178.31 177.53 1i5a h PRO 366 N 0.29 0.09 -0.56 1.51 0.11 -1.74 0.21 132.00 131.90 1i5a h PRO 366 Ca 0.06 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 66.10 1i5a h PRO 366 Cb 0.59 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.66 1i5a h PRO 366 CO 0.03 0.06 0.08 -0.09 -0.21 0.00 0.00 178.00 177.87 1i5a h ARG 367 N 0.09 0.94 -0.38 1.05 2.43 -1.84 -0.92 114.38 115.74 1i5a h ARG 367 Ca 0.38 -0.26 -0.11 0.00 -0.81 0.00 0.00 59.98 59.18 1i5a h ARG 367 Cb 0.64 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 1i5a h ARG 367 CO -0.64 0.91 -0.20 0.52 -1.51 0.00 0.00 179.97 179.05 1i5a h MET 368 N 0.83 0.81 -0.08 0.20 2.86 -1.21 -1.39 114.93 116.95 1i5a h MET 368 Ca 0.17 -0.36 -0.00 0.00 -2.06 0.00 0.00 59.70 57.45 1i5a h MET 368 Cb 0.43 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.07 1i5a h MET 368 CO 0.01 0.99 0.05 0.28 1.06 0.00 0.00 176.91 179.30 1i5a h VAL 369 N 0.61 1.07 -0.39 -2.22 2.07 -0.57 -0.19 116.25 116.63 1i5a h VAL 369 Ca 0.08 -0.20 0.03 0.00 0.82 0.00 0.00 66.70 67.43 1i5a h VAL 369 Cb 0.75 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.55 1i5a h VAL 369 CO 0.06 0.06 0.20 -0.09 0.02 0.00 0.00 177.57 177.82 1i5a h ARG 370 N 0.05 0.39 -0.36 1.57 2.43 -1.12 -0.45 114.38 116.90 1i5a h ARG 370 Ca 0.03 -0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.07 1i5a h ARG 370 Cb 0.06 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 1i5a h ARG 370 CO -0.00 0.26 -0.22 -0.44 -1.51 0.00 0.00 179.97 178.06 1i5a h ASP 371 N 0.40 0.70 -0.12 -3.80 3.32 -1.10 -2.09 116.42 113.72 1i5a h ASP 371 Ca 0.16 -0.24 -0.05 0.00 0.02 0.00 0.00 57.03 56.92 1i5a h ASP 371 Cb 0.06 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.42 1i5a h ASP 371 CO -0.11 0.90 -0.11 0.25 -1.72 0.00 0.00 179.24 178.45 1i5a h LEU 372 N 0.61 0.31 -0.79 1.55 5.85 -0.76 -1.24 115.31 120.85 1i5a h LEU 372 Ca 0.09 -0.47 0.05 0.00 0.84 0.00 0.00 57.88 58.39 1i5a h LEU 372 Cb 0.70 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.59 1i5a h LEU 372 CO 0.05 0.72 0.49 0.00 -0.34 0.00 0.00 178.44 179.35 1i5a h ALA 373 N 0.60 1.06 -0.50 1.25 0.00 -1.06 0.10 119.26 120.71 1i5a h ALA 373 Ca 0.02 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1i5a h ALA 373 Cb 0.62 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1i5a h ALA 373 CO 0.03 0.25 0.03 -0.22 0.00 0.00 0.00 179.25 179.34 1i5a h LYS 374 N 0.92 0.81 -0.35 0.00 3.64 -1.29 0.17 116.57 120.46 1i5a h LYS 374 Ca 0.33 -0.20 -0.10 0.00 -1.27 0.00 0.00 60.65 59.41 1i5a h LYS 374 Cb 0.10 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1i5a h LYS 374 CO -0.15 0.79 -0.16 -0.22 -2.27 0.00 0.00 179.45 177.44 1i5a h LYS 375 N 0.76 0.73 -0.55 1.90 3.64 0.02 -2.93 116.57 120.14 1i5a h LYS 375 Ca 0.15 -0.32 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 1i5a h LYS 375 Cb 0.41 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 1i5a h LYS 375 CO 0.01 0.92 0.00 -1.33 -2.27 0.00 0.00 179.45 176.79 1i5a n MET 376 N -4.32 2.46 -3.81 1.90 2.81 -0.10 -4.95 117.12 111.12 1i5a n MET 376 Ca -0.02 -1.69 -0.30 0.00 -1.81 0.00 0.00 57.70 53.87 1i5a n MET 376 Cb 0.40 -1.55 0.02 0.00 -0.71 0.00 0.00 33.22 31.38 1i5a n MET 376 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1i5a n ASN 377 N 0.66 -3.33 -4.32 7.83 2.85 -0.33 -5.00 115.26 113.61 1i5a n ASN 377 Ca 0.15 -1.03 -0.28 0.00 -0.11 0.00 0.00 54.58 53.31 1i5a n ASN 377 Cb 0.52 -3.15 -0.14 0.00 1.24 0.00 0.00 39.78 38.25 1i5a n ASN 377 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1i5a s LYS 378 N -6.30 1.60 -0.40 1.20 -0.14 0.45 -4.77 119.74 111.39 1i5a s LYS 378 Ca 0.30 -1.10 -0.18 0.00 -1.36 0.00 0.00 55.97 53.63 1i5a s LYS 378 Cb -0.11 -1.81 0.01 0.00 -1.68 0.00 0.00 37.83 34.24 1i5a s LYS 378 CO 0.88 0.46 0.48 -1.21 -0.76 0.00 0.00 175.35 175.20 1i5a s GLU 379 N -1.36 3.29 -0.06 1.68 8.01 -1.26 -4.40 118.70 124.60 1i5a s GLU 379 Ca 0.11 -0.52 0.01 0.00 0.01 0.00 0.00 54.97 54.57 1i5a s GLU 379 Cb -0.10 -3.91 0.02 0.00 -4.31 0.00 0.00 34.13 25.83 1i5a s GLU 379 CO 0.03 -0.80 -0.07 0.08 0.01 0.00 0.00 175.26 174.51 1i5a s VAL 380 N 2.31 0.73 -0.41 2.63 1.01 -1.26 -1.07 120.40 124.34 1i5a s VAL 380 Ca 0.15 -0.22 -0.15 0.00 0.00 0.00 0.00 61.98 61.76 1i5a s VAL 380 Cb -0.16 -0.73 0.02 0.00 0.00 0.00 0.00 36.38 35.51 1i5a s VAL 380 CO 0.14 0.27 0.31 0.21 0.00 0.00 0.00 175.10 176.04 1i5a s ASN 381 N 0.98 6.11 -0.21 3.32 2.47 -0.08 -4.96 114.94 122.56 1i5a s ASN 381 Ca -0.10 -0.86 -0.19 0.00 0.42 0.00 0.00 52.86 52.13 1i5a s ASN 381 Cb -0.14 -2.16 -0.03 0.00 -1.45 0.00 0.00 41.25 37.46 1i5a s ASN 381 CO 0.00 -0.45 0.57 0.12 -3.72 0.00 0.00 177.10 173.62 1i5a s PHE 382 N 1.72 3.35 -0.17 0.43 5.36 -1.26 -1.65 117.98 125.75 1i5a s PHE 382 Ca 0.06 0.82 -0.00 0.00 -0.96 0.00 0.00 56.93 56.84 1i5a s PHE 382 Cb -0.19 -2.74 -0.00 0.00 -0.34 0.00 0.00 43.02 39.75 1i5a s PHE 382 CO 0.10 -0.18 -0.14 0.42 -1.46 0.00 0.00 175.22 173.96 1i5a s ILE 383 N 1.93 2.72 -0.13 3.12 1.01 0.73 -4.98 121.20 125.61 1i5a s ILE 383 Ca 0.26 -0.74 0.01 0.00 0.00 0.00 0.00 60.65 60.17 1i5a s ILE 383 Cb -0.16 -2.17 -0.01 0.00 0.01 0.00 0.00 42.46 40.14 1i5a s ILE 383 CO 0.10 0.50 -0.15 -0.04 0.00 0.00 0.00 174.94 175.35 1i5a s MET 384 N 0.98 3.31 0.06 2.79 -1.94 -1.26 0.45 119.30 123.70 1i5a s MET 384 Ca -0.02 -0.72 0.07 0.00 -1.71 0.00 0.00 55.69 53.31 1i5a s MET 384 Cb -0.15 -2.58 -0.03 0.00 2.01 0.00 0.00 34.83 34.08 1i5a s MET 384 CO -0.02 0.18 -0.19 1.03 -0.01 0.00 0.00 175.02 176.01 1i5a s ARG 385 N 0.41 1.19 -0.94 2.03 0.52 0.89 -4.84 118.95 118.21 1i5a s ARG 385 Ca -0.12 -0.98 -0.05 0.00 -0.52 0.00 0.00 55.73 54.07 1i5a s ARG 385 Cb -0.16 -1.32 0.01 0.00 0.52 0.00 0.00 34.95 33.99 1i5a s ARG 385 CO 0.06 0.32 0.61 0.41 0.02 0.00 0.00 175.30 176.72 1i5a n GLY 386 N 1.58 -0.05 0.00 -3.53 0.00 -1.26 -1.67 105.19 100.25 1i5a n GLY 386 Ca -0.18 -0.12 0.06 0.00 0.00 0.00 0.00 46.02 45.77 1i5a n GLY 386 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1i5a n GLU 387 N -3.19 0.15 0.00 1.61 0.28 -1.26 -1.45 120.64 116.78 1i5a n GLU 387 Ca -0.03 0.18 0.12 0.00 -0.16 0.00 0.00 57.16 57.27 1i5a n GLU 387 Cb 0.56 -1.50 0.15 0.00 1.43 0.00 0.00 31.44 32.07 1i5a n GLU 387 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1i5a n ASP 388 N -1.31 0.99 -4.70 -1.84 10.43 -1.26 -1.29 116.55 117.57 1i5a n ASP 388 Ca 0.05 -0.79 -0.42 0.00 2.57 0.00 0.00 54.79 56.20 1i5a n ASP 388 Cb 0.10 0.45 -0.03 0.00 1.84 0.00 0.00 41.12 43.48 1i5a n ASP 388 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 177.20 176.54 1i5a n THR 389 N -1.06 0.23 -3.29 -3.53 -1.04 -0.53 -4.55 114.28 100.50 1i5a n THR 389 Ca 0.07 -0.04 -0.28 0.00 -2.04 0.00 0.00 64.05 61.76 1i5a n THR 389 Cb 0.36 -2.06 -0.03 0.00 -1.82 0.00 0.00 70.33 66.78 1i5a n THR 389 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1i5a s GLU 390 N 2.14 3.61 0.22 -2.82 2.02 -1.26 0.12 118.70 122.73 1i5a s GLU 390 Ca 0.80 -0.02 -0.14 0.00 0.02 0.00 0.00 54.97 55.62 1i5a s GLU 390 Cb -0.50 -2.63 0.01 0.00 0.10 0.00 0.00 34.13 31.11 1i5a s GLU 390 CO 0.36 0.18 0.48 -0.48 0.02 0.00 0.00 175.26 175.82 1i5a s LEU 391 N -3.73 0.29 0.14 1.80 2.34 -0.90 -4.87 118.68 113.76 1i5a s LEU 391 Ca 0.44 -0.76 -0.34 0.00 0.06 0.00 0.00 54.13 53.53 1i5a s LEU 391 Cb -0.10 1.88 -0.14 0.00 -0.56 0.00 0.00 46.19 47.27 1i5a s LEU 391 CO 0.32 -1.10 1.61 -0.67 -1.06 0.00 0.00 176.35 175.45 1i5a n ASP 392 N -0.35 3.18 0.30 1.48 4.64 -1.26 -1.78 116.55 122.75 1i5a n ASP 392 Ca -0.05 1.07 0.16 0.00 -1.38 0.00 0.00 54.79 54.59 1i5a n ASP 392 Cb 0.62 -1.43 0.92 0.00 -1.04 0.00 0.00 41.12 40.19 1i5a n ASP 392 CO 0.00 0.00 0.00 0.08 -0.82 0.00 0.00 177.20 176.46 1i5a h ARG 393 N 6.27 0.00 0.00 -0.67 0.11 -1.41 -0.81 114.38 117.87 1i5a h ARG 393 Ca -0.45 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.63 1i5a h ARG 393 Cb 1.25 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.33 1i5a h ARG 393 CO 0.90 0.02 0.00 0.25 0.10 0.00 0.00 179.97 181.24 1i5a n THR 394 N -3.71 0.00 -0.03 0.08 -2.24 -1.26 -2.97 114.28 104.14 1i5a n THR 394 Ca -0.03 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.73 1i5a n THR 394 Cb 0.11 -0.44 -0.14 0.00 -2.10 0.00 0.00 70.33 67.76 1i5a n THR 394 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1i5a n PHE 395 N -0.89 0.39 -0.09 4.78 0.99 -0.31 -4.54 117.46 117.79 1i5a n PHE 395 Ca 0.17 0.13 -0.10 0.00 -0.00 0.00 0.00 57.45 57.65 1i5a n PHE 395 Cb 0.08 -0.94 -0.04 0.00 -1.00 0.00 0.00 39.48 37.58 1i5a n PHE 395 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 1i5a h VAL 396 N 0.00 0.16 -0.57 -4.37 2.07 -1.63 0.34 116.25 112.25 1i5a h VAL 396 Ca -0.29 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.17 1i5a h VAL 396 Cb 1.76 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.67 1i5a h VAL 396 CO 0.03 0.00 0.12 -0.08 0.02 0.00 0.00 177.57 177.66 1i5a h GLU 397 N -0.35 0.93 -0.14 1.57 4.57 -1.81 -3.12 114.58 116.23 1i5a h GLU 397 Ca 0.13 -0.24 -0.18 0.00 -1.18 0.00 0.00 59.36 57.89 1i5a h GLU 397 Cb 0.58 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 29.05 1i5a h GLU 397 CO -0.51 0.87 -0.67 0.93 -1.18 0.00 0.00 179.01 178.46 1i5a h GLU 398 N 0.83 0.55 0.00 1.92 5.08 -1.73 -3.31 114.58 117.92 1i5a h GLU 398 Ca 0.18 -0.41 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1i5a h GLU 398 Cb 0.38 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1i5a h GLU 398 CO 0.01 1.03 -0.29 1.51 -1.00 0.00 0.00 179.01 180.27 1i5a n ILE 399 N -3.91 0.18 0.31 3.13 0.13 0.08 -4.33 119.36 114.96 1i5a n ILE 399 Ca -0.04 -0.11 -0.16 0.00 -1.10 0.00 0.00 62.75 61.33 1i5a n ILE 399 Cb 0.67 -0.21 -0.09 0.00 -0.84 0.00 0.00 39.64 39.18 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 4.81 -0.80 0.85 4.50 0.00 -1.63 -2.51 103.07 108.30 1i5a h GLY 400 Ca 0.00 0.29 0.02 0.00 0.00 0.00 0.00 47.33 47.65 1i5a h GLY 400 CO 0.00 -0.29 0.15 -2.09 0.00 0.00 0.00 176.54 174.31 1i5a h GLU 401 N -0.84 0.31 -0.52 4.80 4.81 -1.79 -1.02 114.58 120.32 1i5a h GLU 401 Ca -0.08 -0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.20 1i5a h GLU 401 Cb 0.62 -0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.87 1i5a h GLU 401 CO 0.13 0.20 0.22 -1.35 -0.73 0.00 0.00 179.01 177.48 1i5a h PRO 402 N 0.32 0.40 -0.43 0.92 0.11 -1.77 -0.29 132.00 131.26 1i5a h PRO 402 Ca 0.13 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.19 1i5a h PRO 402 Cb 0.05 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.05 1i5a h PRO 402 CO -0.09 0.27 0.17 -0.07 -0.21 0.00 0.00 178.00 178.07 1i5a h LEU 403 N 0.42 0.59 -1.04 2.35 3.38 -1.14 -1.84 115.31 118.03 1i5a h LEU 403 Ca 0.25 -0.17 0.05 0.00 0.09 0.00 0.00 57.88 58.10 1i5a h LEU 403 Cb 0.24 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.77 1i5a h LEU 403 CO -0.23 0.59 0.64 0.25 0.09 0.00 0.00 178.44 179.79 1i5a h LEU 404 N 0.54 1.04 -0.56 1.67 5.85 -0.70 -1.04 115.31 122.11 1i5a h LEU 404 Ca 0.14 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 1i5a h LEU 404 Cb 0.19 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 1i5a h LEU 404 CO -0.01 0.69 0.29 -0.74 -0.34 0.00 0.00 178.44 178.33 1i5a h HIS 405 N 1.19 0.79 -0.67 1.25 2.76 -0.56 0.34 115.15 120.26 1i5a h HIS 405 Ca 0.41 -0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.52 1i5a h HIS 405 Cb 0.09 -0.25 -0.03 0.00 1.55 0.00 0.00 27.41 28.77 1i5a h HIS 405 CO -0.00 0.59 0.30 -0.07 -1.30 0.00 0.00 177.93 177.45 1i5a h LEU 406 N 0.76 0.87 -0.40 0.26 3.38 -0.49 0.31 115.31 120.00 1i5a h LEU 406 Ca 0.20 -0.10 -0.10 0.00 0.09 0.00 0.00 57.88 57.96 1i5a h LEU 406 Cb 0.08 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1i5a h LEU 406 CO -0.03 0.75 -0.15 -0.07 0.09 0.00 0.00 178.44 179.03 1i5a h LEU 407 N 0.95 0.83 -0.76 1.67 3.38 -0.70 -2.00 115.31 118.67 1i5a h LEU 407 Ca 0.23 -0.39 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 1i5a h LEU 407 Cb 0.13 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 1i5a h LEU 407 CO -0.03 1.03 0.31 -0.09 0.09 0.00 0.00 178.44 179.76 1i5a h ARG 408 N 0.62 1.13 -0.46 1.13 2.43 -0.45 -2.08 114.38 116.71 1i5a h ARG 408 Ca 0.09 -0.20 0.02 0.00 -0.81 0.00 0.00 59.98 59.09 1i5a h ARG 408 Cb 0.70 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 30.03 1i5a h ARG 408 CO 0.05 0.92 0.27 -0.91 -1.51 0.00 0.00 179.97 178.79 1i5a h ASN 409 N 1.10 0.43 -0.52 -3.80 2.35 -0.76 0.12 115.58 114.50 1i5a h ASN 409 Ca 0.26 0.01 0.01 0.00 -0.55 0.00 0.00 56.30 56.02 1i5a h ASN 409 Cb 0.20 -0.09 -0.03 0.00 0.05 0.00 0.00 38.32 38.46 1i5a h ASN 409 CO -0.02 0.31 0.33 0.00 -1.65 0.00 0.00 177.43 176.40 1i5a h ALA 410 N 1.21 0.66 -0.27 -0.83 0.00 -0.99 0.40 119.26 119.44 1i5a h ALA 410 Ca 0.19 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.92 1i5a h ALA 410 Cb 0.02 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1i5a h ALA 410 CO -0.09 0.07 -0.41 0.82 0.00 0.00 0.00 179.25 179.64 1i5a h ILE 411 N 0.67 1.30 0.10 0.00 2.04 -1.06 0.17 117.51 120.72 1i5a h ILE 411 Ca 0.20 -1.60 -0.00 0.00 1.00 0.00 0.00 64.86 64.45 1i5a h ILE 411 Cb -0.04 1.65 0.00 0.00 -0.74 0.00 0.00 36.82 37.69 1i5a h ILE 411 CO -0.06 0.51 -0.05 -0.78 0.00 0.00 0.00 178.15 177.78 1i5a h ASP 412 N 0.51 -0.11 0.40 1.72 -0.00 -0.64 -3.39 116.42 114.91 1i5a h ASP 412 Ca 0.03 -0.33 -0.21 0.00 -0.00 0.00 0.00 57.03 56.52 1i5a h ASP 412 Cb 1.00 0.03 -0.04 0.00 -0.00 0.00 0.00 39.33 40.32 1i5a h ASP 412 CO 0.09 0.51 -1.78 1.41 -0.00 0.00 0.00 179.24 179.47 1i5a n HIS 413 N -4.83 0.60 0.00 0.28 8.25 0.14 -4.79 115.22 114.86 1i5a n HIS 413 Ca -0.05 0.20 0.00 0.00 -0.26 0.00 0.00 57.72 57.61 1i5a n HIS 413 Cb 0.21 -1.00 0.00 0.00 1.12 0.00 0.00 29.99 30.33 1i5a n HIS 413 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1i5a n GLY 414 N 1.49 0.98 3.68 -1.41 0.00 -0.40 -4.67 105.19 104.85 1i5a n GLY 414 Ca -0.16 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.37 1i5a n GLY 414 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1i5a n ILE 415 N -0.95 0.38 -2.83 -0.61 2.08 0.45 -1.87 119.36 116.01 1i5a n ILE 415 Ca 0.00 -0.07 -0.29 0.00 0.56 0.00 0.00 62.75 62.96 1i5a n ILE 415 Cb 0.00 -1.62 -0.02 0.00 -0.75 0.00 0.00 39.64 37.25 1i5a n ILE 415 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 1i5a s GLU 416 N 3.10 3.65 0.75 0.38 8.01 -1.26 -4.83 118.70 128.49 1i5a s GLU 416 Ca 0.90 0.27 -0.15 0.00 0.01 0.00 0.00 54.97 56.00 1i5a s GLU 416 Cb -0.77 -2.42 0.04 0.00 -4.31 0.00 0.00 34.13 26.67 1i5a s GLU 416 CO 0.51 -0.08 1.18 -2.30 0.01 0.00 0.00 175.26 174.59 1i5a n PRO 417 N -1.70 0.51 -0.30 0.39 -0.02 -1.26 -4.60 135.00 128.02 1i5a n PRO 417 Ca 0.01 0.24 -0.07 0.00 -2.02 0.00 0.00 63.50 61.66 1i5a n PRO 417 Cb 0.55 -2.43 -0.03 0.00 -0.02 0.00 0.00 33.50 31.57 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 -0.38 -0.12 -0.27 -0.52 3.64 -1.86 0.74 116.57 117.80 1i5a h LYS 418 Ca -0.48 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 58.99 1i5a h LYS 418 Cb 1.32 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.15 1i5a h LYS 418 CO 0.48 -0.08 0.20 1.05 -2.27 0.00 0.00 179.45 178.83 1i5a h GLU 419 N -0.12 0.00 -0.14 1.90 9.09 -1.94 -0.98 114.58 122.39 1i5a h GLU 419 Ca 0.22 0.00 -0.14 0.00 0.05 0.00 0.00 59.36 59.48 1i5a h GLU 419 Cb 0.54 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.65 1i5a h GLU 419 CO -0.82 0.00 -0.48 0.93 0.05 0.00 0.00 179.01 178.69 1i5a h GLU 420 N 0.00 0.57 -0.49 1.06 5.08 -1.22 -1.56 114.58 118.02 1i5a h GLU 420 Ca 0.13 -0.43 0.04 0.00 -1.00 0.00 0.00 59.36 58.10 1i5a h GLU 420 Cb 0.52 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.81 1i5a h GLU 420 CO -0.00 1.05 0.25 0.00 -1.00 0.00 0.00 179.01 179.31 1i5a h ARG 421 N 0.20 0.48 -0.24 2.33 2.47 -0.30 -1.73 114.38 117.59 1i5a h ARG 421 Ca -0.02 -0.03 -0.02 0.00 -1.26 0.00 0.00 59.98 58.65 1i5a h ARG 421 Cb 1.11 -0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 29.31 1i5a h ARG 421 CO 0.10 0.32 0.07 0.82 0.56 0.00 0.00 179.97 181.84 1i5a h ILE 422 N 0.50 1.20 -0.99 2.04 2.04 -1.22 -0.90 117.51 120.19 1i5a h ILE 422 Ca 0.21 -0.66 0.11 0.00 1.00 0.00 0.00 64.86 65.52 1i5a h ILE 422 Cb 0.10 1.18 -0.08 0.00 -0.74 0.00 0.00 36.82 37.29 1i5a h ILE 422 CO -0.14 0.21 0.63 0.00 0.00 0.00 0.00 178.15 178.85 1i5a h ALA 423 N 0.89 1.52 -0.00 1.87 0.00 -0.95 -0.46 119.26 122.13 1i5a h ALA 423 Ca 0.08 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1i5a h ALA 423 Cb 0.26 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1i5a h ALA 423 CO -0.00 0.25 -0.00 1.63 0.00 0.00 0.00 179.25 181.13 1i5a n LYS 424 N -4.58 0.66 -2.91 0.00 5.02 -0.68 -4.92 118.16 110.75 1i5a n LYS 424 Ca 0.18 -0.02 -0.10 0.00 -2.02 0.00 0.00 58.31 56.35 1i5a n LYS 424 Cb 0.32 -1.50 0.04 0.00 -0.02 0.00 0.00 35.03 33.87 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 1.18 0.14 3.51 0.72 0.00 -0.18 -5.05 105.19 105.50 1i5a n GLY 425 Ca 0.18 -0.20 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 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 -5.25 1.80 0.31 1.61 1.02 -0.39 -5.04 119.74 113.81 1i5a s LYS 426 Ca 0.17 -1.73 -0.29 0.00 0.02 0.00 0.00 55.97 54.14 1i5a s LYS 426 Cb -0.08 -1.83 -0.12 0.00 -0.52 0.00 0.00 37.83 35.28 1i5a s LYS 426 CO 0.36 0.31 1.39 -2.30 -0.92 0.00 0.00 175.35 174.19 1i5a n PRO 427 N -0.69 2.25 -0.28 -1.68 -0.02 -1.26 -4.38 135.00 128.94 1i5a n PRO 427 Ca -0.05 0.79 0.09 0.00 -2.02 0.00 0.00 63.50 62.31 1i5a n PRO 427 Cb 0.60 -2.44 0.24 0.00 -0.02 0.00 0.00 33.50 31.88 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 3.41 0.34 -5.70 0.52 0.11 -1.93 -3.40 132.00 125.35 1i5a h PRO 428 Ca -0.46 -0.02 -0.58 0.00 0.11 0.00 0.00 66.00 65.05 1i5a h PRO 428 Cb 1.27 -0.08 -0.08 0.00 0.11 0.00 0.00 31.00 32.22 1i5a h PRO 428 CO 0.69 0.22 -0.10 0.42 -0.21 0.00 0.00 178.00 179.03 1i5a s ILE 429 N -5.97 5.16 0.68 4.15 1.01 -1.26 -4.71 121.20 120.25 1i5a s ILE 429 Ca -0.12 0.99 -0.12 0.00 0.00 0.00 0.00 60.65 61.39 1i5a s ILE 429 Cb 0.23 -3.84 0.00 0.00 0.01 0.00 0.00 42.46 38.87 1i5a s ILE 429 CO 0.77 0.28 1.06 -0.83 0.00 0.00 0.00 174.94 176.22 1i5a s GLY 430 N 0.78 1.78 -0.13 6.18 0.00 -0.24 -4.85 107.32 110.84 1i5a s GLY 430 Ca 0.26 0.18 0.02 0.00 0.00 0.00 0.00 44.72 45.18 1i5a s GLY 430 CO 0.11 0.50 -0.18 -1.59 0.00 0.00 0.00 173.10 171.93 1i5a s THR 431 N -2.89 1.78 -0.21 0.90 2.01 -1.26 -0.91 115.64 115.07 1i5a s THR 431 Ca 0.60 -0.81 -0.01 0.00 0.31 0.00 0.00 61.69 61.78 1i5a s THR 431 Cb -0.15 -1.60 0.01 0.00 0.01 0.00 0.00 72.50 70.77 1i5a s THR 431 CO 0.51 0.50 -0.11 -0.22 -0.69 0.00 0.00 174.62 174.60 1i5a s LEU 432 N 0.97 2.64 -0.15 4.42 0.20 -0.66 -2.77 118.68 123.32 1i5a s LEU 432 Ca -0.05 -0.59 0.00 0.00 0.69 0.00 0.00 54.13 54.18 1i5a s LEU 432 Cb -0.15 -1.62 -0.00 0.00 -0.43 0.00 0.00 46.19 43.99 1i5a s LEU 432 CO -0.03 -0.03 -0.16 -0.63 -0.29 0.00 0.00 176.35 175.21 1i5a s ILE 433 N 1.37 2.60 -0.20 6.68 1.01 0.85 -0.19 121.20 133.32 1i5a s ILE 433 Ca 0.04 -0.79 -0.02 0.00 0.00 0.00 0.00 60.65 59.88 1i5a s ILE 433 Cb -0.14 -2.09 0.00 0.00 0.01 0.00 0.00 42.46 40.24 1i5a s ILE 433 CO -0.08 0.52 -0.10 -0.22 0.00 0.00 0.00 174.94 175.06 1i5a s LEU 434 N 0.81 2.60 0.07 2.97 2.96 0.17 -1.35 118.68 126.91 1i5a s LEU 434 Ca -0.05 -0.49 0.02 0.00 -0.22 0.00 0.00 54.13 53.39 1i5a s LEU 434 Cb -0.15 -1.64 -0.03 0.00 0.50 0.00 0.00 46.19 44.86 1i5a s LEU 434 CO -0.00 -0.01 -0.07 -0.94 -1.32 0.00 0.00 176.35 174.00 1i5a s SER 435 N 1.40 1.00 0.02 3.68 1.04 -0.65 -0.08 113.70 120.12 1i5a s SER 435 Ca 0.05 -0.78 0.00 0.00 0.48 0.00 0.00 55.95 55.71 1i5a s SER 435 Cb -0.14 0.07 -0.02 0.00 0.10 0.00 0.00 66.02 66.03 1i5a s SER 435 CO -0.07 -0.34 -0.03 0.00 0.98 0.00 0.00 173.24 173.79 1i5a s ALA 436 N -2.51 0.14 0.20 5.32 0.00 -0.67 -0.87 121.76 123.36 1i5a s ALA 436 Ca 0.01 -0.46 -0.23 0.00 0.00 0.00 0.00 51.96 51.27 1i5a s ALA 436 Cb -0.02 0.10 0.05 0.00 0.00 0.00 0.00 23.12 23.25 1i5a s ALA 436 CO -0.02 -0.11 0.82 -0.98 0.00 0.00 0.00 175.76 175.47 1i5a s ARG 437 N -1.11 1.45 -0.18 0.00 1.70 -0.24 -4.24 118.95 116.33 1i5a s ARG 437 Ca -0.12 -0.78 -0.07 0.00 -0.47 0.00 0.00 55.73 54.30 1i5a s ARG 437 Cb -0.08 0.51 -0.04 0.00 -0.57 0.00 0.00 34.95 34.77 1i5a s ARG 437 CO -0.01 -0.66 0.06 -1.01 -1.08 0.00 0.00 175.30 172.60 1i5a s HIS 438 N -3.59 3.24 -0.05 5.89 3.76 -1.26 -0.32 115.29 122.95 1i5a s HIS 438 Ca 0.11 0.05 -0.01 0.00 -0.15 0.00 0.00 55.06 55.06 1i5a s HIS 438 Cb -0.03 -2.07 0.03 0.00 1.11 0.00 0.00 32.58 31.61 1i5a s HIS 438 CO 0.03 0.14 0.02 -1.21 -0.85 0.00 0.00 174.74 172.87 1i5a s GLU 439 N 0.37 0.28 6.60 1.40 2.02 -0.67 -4.96 118.70 123.73 1i5a s GLU 439 Ca 0.03 0.19 0.00 0.00 0.02 0.00 0.00 54.97 55.20 1i5a s GLU 439 Cb -0.12 -0.65 0.00 0.00 0.10 0.00 0.00 34.13 33.45 1i5a s GLU 439 CO 0.00 -0.26 0.00 0.41 0.02 0.00 0.00 175.26 175.44 1i5a n GLY 440 N 4.86 3.21 2.18 -1.39 0.00 -1.26 -1.39 105.19 111.41 1i5a n GLY 440 Ca -0.12 -0.26 -0.29 0.00 0.00 0.00 0.00 46.02 45.35 1i5a n GLY 440 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1i5a n ASN 441 N 2.46 5.96 -4.22 1.61 5.15 -1.26 -4.96 115.26 120.00 1i5a n ASN 441 Ca 0.00 -3.74 -0.13 0.00 -0.60 0.00 0.00 54.58 50.11 1i5a n ASN 441 Cb 0.00 -0.86 -0.10 0.00 -0.53 0.00 0.00 39.78 38.29 1i5a n ASN 441 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 1i5a s ASN 442 N -1.91 0.95 -0.20 1.20 0.01 -0.49 -0.97 114.94 113.55 1i5a s ASN 442 Ca 0.60 -1.21 -0.05 0.00 -0.71 0.00 0.00 52.86 51.49 1i5a s ASN 442 Cb 0.48 0.17 -0.02 0.00 0.41 0.00 0.00 41.25 42.30 1i5a s ASN 442 CO 0.03 -0.63 -0.01 -0.69 -1.51 0.00 0.00 177.10 174.29 1i5a s VAL 443 N -3.78 3.87 -0.20 1.60 1.01 0.45 -1.68 120.40 121.68 1i5a s VAL 443 Ca 0.26 -0.34 -0.06 0.00 0.00 0.00 0.00 61.98 61.84 1i5a s VAL 443 Cb 0.07 -2.75 -0.03 0.00 0.00 0.00 0.00 36.38 33.67 1i5a s VAL 443 CO 0.04 0.43 0.02 -0.69 0.00 0.00 0.00 175.10 174.91 1i5a s VAL 444 N 0.98 4.22 -0.08 2.92 1.01 0.56 -1.04 120.40 128.96 1i5a s VAL 444 Ca 0.01 -0.22 0.04 0.00 0.00 0.00 0.00 61.98 61.81 1i5a s VAL 444 Cb -0.14 -2.91 0.00 0.00 0.00 0.00 0.00 36.38 33.33 1i5a s VAL 444 CO 0.02 0.43 -0.21 -0.63 0.00 0.00 0.00 175.10 174.70 1i5a s ILE 445 N 0.88 1.80 0.00 2.22 1.01 0.65 -1.07 121.20 126.69 1i5a s ILE 445 Ca 0.02 -0.88 0.06 0.00 0.00 0.00 0.00 60.65 59.85 1i5a s ILE 445 Cb -0.14 -1.57 -0.02 0.00 0.01 0.00 0.00 42.46 40.74 1i5a s ILE 445 CO 0.02 0.50 -0.20 -1.61 0.00 0.00 0.00 174.94 173.66 1i5a s GLU 446 N 0.35 1.50 -0.23 2.79 2.02 -0.05 -0.09 118.70 124.98 1i5a s GLU 446 Ca -0.16 -0.76 0.01 0.00 0.02 0.00 0.00 54.97 54.08 1i5a s GLU 446 Cb -0.17 -1.49 0.06 0.00 0.10 0.00 0.00 34.13 32.63 1i5a s GLU 446 CO 0.07 0.40 -0.05 0.08 0.02 0.00 0.00 175.26 175.78 1i5a s VAL 447 N -0.56 1.53 -0.02 2.63 1.01 -0.18 -1.63 120.40 123.18 1i5a s VAL 447 Ca 0.07 -1.22 0.05 0.00 0.00 0.00 0.00 61.98 60.88 1i5a s VAL 447 Cb -0.08 -1.80 -0.01 0.00 0.00 0.00 0.00 36.38 34.50 1i5a s VAL 447 CO 0.00 -0.10 -0.16 -0.70 0.00 0.00 0.00 175.10 174.15 1i5a s GLU 448 N 1.39 1.33 0.09 2.72 2.12 -0.46 -0.86 118.70 125.04 1i5a s GLU 448 Ca -0.06 -0.56 0.03 0.00 0.36 0.00 0.00 54.97 54.75 1i5a s GLU 448 Cb -0.19 -1.27 -0.03 0.00 0.26 0.00 0.00 34.13 32.90 1i5a s GLU 448 CO -0.06 0.32 -0.10 0.16 -0.54 0.00 0.00 175.26 175.04 1i5a s ASP 449 N -0.30 1.38 -0.65 -1.70 -4.77 -0.30 -0.10 116.67 110.22 1i5a s ASP 449 Ca 0.05 -0.78 0.01 0.00 -3.30 0.00 0.00 52.55 48.52 1i5a s ASP 449 Cb -0.07 0.01 0.40 0.00 -1.09 0.00 0.00 42.92 42.18 1i5a s ASP 449 CO -0.00 -0.26 1.72 -0.90 0.70 0.00 0.00 175.17 176.44 1i5a n ASP 450 N 0.67 6.63 -1.79 2.11 3.85 -1.11 -1.85 116.55 125.06 1i5a n ASP 450 Ca -0.17 -3.79 0.00 0.00 -0.71 0.00 0.00 54.79 50.12 1i5a n ASP 450 Cb 0.57 -0.83 0.00 0.00 -1.35 0.00 0.00 41.12 39.52 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 -0.63 0.99 0.04 6.12 0.00 -1.25 -4.68 105.19 105.77 1i5a n GLY 451 Ca 0.51 -1.70 0.15 0.00 0.00 0.00 0.00 46.02 44.99 1i5a n GLY 451 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1i5a n ARG 452 N 0.00 0.86 0.00 1.61 1.85 -0.78 -2.49 116.66 117.71 1i5a n ARG 452 Ca 0.00 -0.08 0.00 0.00 -1.00 0.00 0.00 57.85 56.77 1i5a n ARG 452 Cb 0.00 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 29.91 1i5a n ARG 452 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1i5a n GLY 453 N 1.11 -2.04 3.72 2.89 0.00 -1.26 0.69 105.19 110.30 1i5a n GLY 453 Ca 0.20 -1.50 -0.42 0.00 0.00 0.00 0.00 46.02 44.30 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 -2.68 3.87 -0.84 -0.61 1.01 -1.26 -4.83 121.20 115.86 1i5a s ILE 454 Ca 0.00 1.41 -0.25 0.00 0.00 0.00 0.00 60.65 61.81 1i5a s ILE 454 Cb 0.00 -3.90 -0.01 0.00 0.01 0.00 0.00 42.46 38.56 1i5a s ILE 454 CO 0.00 0.15 1.71 -0.62 0.00 0.00 0.00 174.94 176.18 1i5a s ASP 455 N 0.76 5.65 0.36 3.58 3.68 -1.26 -4.81 116.67 124.62 1i5a s ASP 455 Ca 0.57 -0.59 0.07 0.00 2.13 0.00 0.00 52.55 54.72 1i5a s ASP 455 Cb -0.31 -2.56 0.67 0.00 -1.45 0.00 0.00 42.92 39.28 1i5a s ASP 455 CO 0.31 -2.23 1.88 0.11 0.13 0.00 0.00 175.17 175.37 1i5a h LYS 456 N 11.60 0.38 -0.69 4.34 1.57 -1.99 -2.20 116.57 129.59 1i5a h LYS 456 Ca -0.02 -0.09 -0.05 0.00 -1.87 0.00 0.00 60.65 58.62 1i5a h LYS 456 Cb 1.05 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.28 1i5a h LYS 456 CO 1.28 0.48 0.21 1.49 -0.57 0.00 0.00 179.45 182.34 1i5a h GLU 457 N 0.36 1.07 -0.54 3.15 4.81 -2.00 -1.98 114.58 119.44 1i5a h GLU 457 Ca 0.07 -0.23 -0.08 0.00 -0.13 0.00 0.00 59.36 59.00 1i5a h GLU 457 Cb 0.38 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 1i5a h GLU 457 CO 0.02 0.92 0.03 -0.22 -0.73 0.00 0.00 179.01 179.04 1i5a h LYS 458 N 1.01 0.90 -0.35 1.92 3.64 -1.83 -2.34 116.57 119.52 1i5a h LYS 458 Ca 0.22 -0.24 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 1i5a h LYS 458 Cb 0.30 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 1i5a h LYS 458 CO -0.01 0.87 0.09 0.82 -2.27 0.00 0.00 179.45 178.95 1i5a h ILE 459 N 0.84 1.22 -0.80 2.00 2.04 -0.96 -1.58 117.51 120.27 1i5a h ILE 459 Ca 0.16 -0.74 -0.03 0.00 1.00 0.00 0.00 64.86 65.25 1i5a h ILE 459 Cb 0.45 1.05 -0.04 0.00 -0.74 0.00 0.00 36.82 37.54 1i5a h ILE 459 CO 0.02 0.25 0.38 0.40 0.00 0.00 0.00 178.15 179.20 1i5a h ILE 460 N 0.41 1.25 -0.78 -0.67 2.04 -1.27 0.15 117.51 118.64 1i5a h ILE 460 Ca 0.11 -0.72 -0.04 0.00 1.00 0.00 0.00 64.86 65.22 1i5a h ILE 460 Cb 0.29 0.23 -0.04 0.00 -0.74 0.00 0.00 36.82 36.57 1i5a h ILE 460 CO 0.00 0.30 0.34 0.03 0.00 0.00 0.00 178.15 178.83 1i5a h ARG 461 N 1.15 1.15 -0.36 2.37 3.08 -1.23 -1.38 114.38 119.15 1i5a h ARG 461 Ca 0.28 -0.19 -0.12 0.00 0.07 0.00 0.00 59.98 60.02 1i5a h ARG 461 Cb 0.12 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 1i5a h ARG 461 CO -0.03 0.91 -0.24 0.87 -1.07 0.00 0.00 179.97 180.41 1i5a h LYS 462 N 1.12 0.79 -1.00 0.04 1.57 -0.59 -1.56 116.57 116.94 1i5a h LYS 462 Ca 0.26 -0.38 0.05 0.00 -1.87 0.00 0.00 60.65 58.72 1i5a h LYS 462 Cb 0.17 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.41 1i5a h LYS 462 CO -0.03 1.00 0.65 0.00 -0.57 0.00 0.00 179.45 180.51 1i5a h ALA 463 N 0.77 1.38 -0.17 3.86 0.00 -0.45 0.25 119.26 124.90 1i5a h ALA 463 Ca 0.07 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1i5a h ALA 463 Cb 0.80 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1i5a h ALA 463 CO 0.07 0.50 -0.10 0.82 0.00 0.00 0.00 179.25 180.54 1i5a h ILE 464 N 1.22 1.32 -0.91 0.00 2.04 -1.11 -0.84 117.51 119.23 1i5a h ILE 464 Ca 0.41 -1.16 0.10 0.00 1.00 0.00 0.00 64.86 65.21 1i5a h ILE 464 Cb 0.08 1.71 -0.07 0.00 -0.74 0.00 0.00 36.82 37.80 1i5a h ILE 464 CO -0.14 0.35 0.58 -0.08 0.00 0.00 0.00 178.15 178.86 1i5a h GLU 465 N 0.05 0.86 -0.25 2.37 4.81 -0.69 -0.93 114.58 120.80 1i5a h GLU 465 Ca 0.04 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1i5a h GLU 465 Cb 0.58 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.77 1i5a h GLU 465 CO 0.03 0.57 0.00 1.63 -0.73 0.00 0.00 179.01 180.51 1i5a n LYS 466 N -4.54 1.50 -1.18 1.92 5.02 0.02 -4.89 118.16 116.02 1i5a n LYS 466 Ca 0.16 -0.72 -0.06 0.00 -2.02 0.00 0.00 58.31 55.67 1i5a n LYS 466 Cb 0.32 -1.20 -0.03 0.00 -0.02 0.00 0.00 35.03 34.11 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 0.76 0.70 0.18 0.72 0.00 -0.35 -4.85 105.19 102.35 1i5a n GLY 467 Ca 0.07 -0.11 0.07 0.00 0.00 0.00 0.00 46.02 46.05 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 0.00 -7.36 0.99 3.38 -1.37 -3.46 115.31 107.49 1i5a h LEU 468 Ca -0.13 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.73 1i5a h LEU 468 Cb 0.86 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.39 1i5a h LEU 468 CO 0.19 0.29 -0.22 -0.51 0.09 0.00 0.00 178.44 178.28 1i5a s ILE 469 N -3.11 0.02 0.32 1.22 1.10 -1.16 -5.00 121.20 114.59 1i5a s ILE 469 Ca 0.05 -0.17 -0.18 0.00 -0.51 0.00 0.00 60.65 59.84 1i5a s ILE 469 Cb 0.07 -0.62 -0.09 0.00 0.15 0.00 0.00 42.46 41.96 1i5a s ILE 469 CO 0.71 -0.10 0.78 -0.62 -2.11 0.00 0.00 174.94 173.60 1i5a s ASP 470 N -0.46 6.90 0.49 4.50 -1.08 -1.26 -4.15 116.67 121.61 1i5a s ASP 470 Ca -0.06 1.41 0.18 0.00 -0.52 0.00 0.00 52.55 53.56 1i5a s ASP 470 Cb -0.03 -2.42 1.22 0.00 -1.46 0.00 0.00 42.92 40.23 1i5a s ASP 470 CO 0.03 -0.17 2.08 1.05 0.52 0.00 0.00 175.17 178.67 1i5a h GLU 471 N 2.50 0.00 0.00 4.34 -0.00 -1.98 -1.81 114.58 117.63 1i5a h GLU 471 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.88 1i5a h GLU 471 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.93 1i5a h GLU 471 CO 0.65 0.10 0.00 -1.13 -0.00 0.00 0.00 179.01 178.63 1i5a n SER 472 N -4.27 0.55 -0.47 3.06 3.41 -1.26 -1.68 113.62 112.97 1i5a n SER 472 Ca -0.03 0.71 0.09 0.00 -0.26 0.00 0.00 58.87 59.39 1i5a n SER 472 Cb 0.18 -0.80 0.01 0.00 -0.26 0.00 0.00 64.21 63.34 1i5a n SER 472 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1i5a n LYS 473 N -2.19 1.53 0.06 4.33 5.02 -0.68 -4.55 118.16 121.67 1i5a n LYS 473 Ca -0.00 -1.00 -0.08 0.00 -2.02 0.00 0.00 58.31 55.21 1i5a n LYS 473 Cb 0.10 -1.36 0.06 0.00 -0.02 0.00 0.00 35.03 33.81 1i5a n LYS 473 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1i5a h ALA 474 N 3.33 0.69 -0.81 7.82 0.00 -1.37 -3.30 119.26 125.62 1i5a h ALA 474 Ca 0.00 -0.58 0.06 0.00 0.00 0.00 0.00 54.91 54.40 1i5a h ALA 474 Cb 0.66 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 1i5a h ALA 474 CO 0.00 0.75 0.53 0.00 0.00 0.00 0.00 179.25 180.53 1i5a h ALA 475 N 1.02 1.61 -0.14 0.00 0.00 -1.80 -2.99 119.26 116.96 1i5a h ALA 475 Ca -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1i5a h ALA 475 Cb 1.22 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1i5a h ALA 475 CO 0.11 0.26 0.00 0.25 0.00 0.00 0.00 179.25 179.88 1i5a n THR 476 N -4.48 0.16 -1.70 0.00 -2.24 -1.25 -4.98 114.28 99.79 1i5a n THR 476 Ca 0.12 -0.56 -0.42 0.00 -2.27 0.00 0.00 64.05 60.92 1i5a n THR 476 Cb 0.21 1.26 -0.01 0.00 -2.10 0.00 0.00 70.33 69.70 1i5a n THR 476 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1i5a n LEU 477 N 1.30 3.54 -4.90 3.22 4.77 -1.13 -4.98 117.00 118.82 1i5a n LEU 477 Ca 0.16 1.20 -0.29 0.00 -0.03 0.00 0.00 56.01 57.06 1i5a n LEU 477 Cb 0.58 -1.48 0.06 0.00 -2.33 0.00 0.00 43.42 40.25 1i5a n LEU 477 CO 0.15 -0.51 0.69 -0.94 -1.33 0.00 0.00 177.39 175.46 1i5a s SER 478 N -0.32 5.19 0.21 -1.43 1.04 -1.26 -4.89 113.70 112.24 1i5a s SER 478 Ca 0.56 0.87 -0.08 0.00 0.48 0.00 0.00 55.95 57.78 1i5a s SER 478 Cb -0.57 -1.63 0.16 0.00 0.10 0.00 0.00 66.02 64.09 1i5a s SER 478 CO 0.62 -1.44 1.80 0.44 0.98 0.00 0.00 173.24 175.65 1i5a h ASP 479 N -0.63 1.07 -0.62 7.02 3.32 -1.99 -1.26 116.42 123.32 1i5a h ASP 479 Ca -0.45 -0.14 -0.05 0.00 0.02 0.00 0.00 57.03 56.40 1i5a h ASP 479 Cb 1.28 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 40.53 1i5a h ASP 479 CO 0.63 0.91 0.18 1.56 -1.72 0.00 0.00 179.24 180.80 1i5a h GLN 480 N 1.15 0.98 -0.77 3.56 1.08 -1.95 -0.36 115.11 118.80 1i5a h GLN 480 Ca 0.27 -0.22 -0.00 0.00 -1.45 0.00 0.00 58.65 57.25 1i5a h GLN 480 Cb 0.14 -0.14 -0.04 0.00 -0.05 0.00 0.00 27.48 27.40 1i5a h GLN 480 CO -0.03 0.88 0.47 0.93 -0.95 0.00 0.00 178.83 180.13 1i5a h GLU 481 N 0.90 1.03 0.20 1.46 5.08 -1.83 -0.36 114.58 121.07 1i5a h GLU 481 Ca 0.20 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 1i5a h GLU 481 Cb 0.32 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1i5a h GLU 481 CO -0.00 0.71 -0.10 0.82 -1.00 0.00 0.00 179.01 179.44 1i5a h ILE 482 N 1.05 0.87 -0.46 3.13 2.04 -0.68 -3.21 117.51 120.25 1i5a h ILE 482 Ca 0.28 -0.82 0.02 0.00 1.00 0.00 0.00 64.86 65.34 1i5a h ILE 482 Cb -0.06 1.32 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 1i5a h ILE 482 CO -0.05 0.17 0.31 -0.07 0.00 0.00 0.00 178.15 178.51 1i5a h LEU 483 N -0.71 0.49 -2.80 1.44 3.38 -0.94 -1.85 115.31 114.31 1i5a h LEU 483 Ca -0.03 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1i5a h LEU 483 Cb 0.49 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1i5a h LEU 483 CO 0.05 0.35 0.00 0.78 0.09 0.00 0.00 178.44 179.70 1i5a h ASN 484 N 0.57 0.00 0.15 -0.43 4.21 -1.06 -1.21 115.58 117.81 1i5a h ASN 484 Ca 0.18 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.67 1i5a h ASN 484 Cb 0.01 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.21 1i5a h ASN 484 CO -0.04 0.00 -0.10 -0.26 -1.29 0.00 0.00 177.43 175.74 1i5a h PHE 485 N 0.00 0.00 0.00 1.19 0.05 -1.39 -1.34 116.94 115.46 1i5a h PHE 485 Ca 0.00 0.00 -0.00 0.00 3.82 0.00 0.00 57.97 61.79 1i5a h PHE 485 Cb 0.06 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 38.01 1i5a h PHE 485 CO 0.00 0.10 -0.01 -0.07 -0.18 0.00 0.00 178.31 178.15 1i5a h LEU 486 N 0.00 0.00 -0.72 1.54 4.07 -1.39 -1.79 115.31 117.02 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 0.20 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.94 1i5a h LEU 486 CO 0.01 0.01 -0.29 0.49 -1.08 0.00 0.00 178.44 177.58 1i5a n PHE 487 N -3.30 0.00 -2.30 1.13 0.99 -0.50 -2.14 117.46 111.33 1i5a n PHE 487 Ca -0.03 0.00 -0.43 0.00 -0.00 0.00 0.00 57.45 57.00 1i5a n PHE 487 Cb 0.11 -0.07 -0.02 0.00 -1.00 0.00 0.00 39.48 38.50 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 -2.44 4.04 0.18 -4.37 1.01 -0.67 -4.72 120.40 113.42 1i5a s VAL 488 Ca 0.24 1.28 -0.33 0.00 0.00 0.00 0.00 61.98 63.17 1i5a s VAL 488 Cb 0.19 -3.83 -0.14 0.00 0.00 0.00 0.00 36.38 32.60 1i5a s VAL 488 CO 0.51 -0.09 1.39 -0.81 0.00 0.00 0.00 175.10 176.10 1i5a n PRO 489 N 6.49 1.74 -0.73 2.72 -0.04 -1.26 -0.95 135.00 142.97 1i5a n PRO 489 Ca 0.14 0.62 0.00 0.00 -0.04 0.00 0.00 63.50 64.23 1i5a n PRO 489 Cb 0.44 -2.27 0.00 0.00 -0.04 0.00 0.00 33.50 31.63 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 2.50 0.89 0.20 0.55 0.00 -1.26 -4.92 105.19 103.15 1i5a n GLY 490 Ca 0.15 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.06 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 0.71 -4.13 1.61 3.57 -1.36 -3.43 116.94 113.90 1i5a h PHE 491 Ca 0.00 -0.12 -0.51 0.00 3.53 0.00 0.00 57.97 60.88 1i5a h PHE 491 Cb 0.00 -0.19 0.09 0.00 2.79 0.00 0.00 35.95 38.64 1i5a h PHE 491 CO 0.00 0.74 0.41 -1.54 -2.23 0.00 0.00 178.31 175.69 1i5a s SER 492 N -6.13 5.46 0.45 0.41 1.04 -1.26 -5.08 113.70 108.60 1i5a s SER 492 Ca -0.13 2.12 0.22 0.00 0.48 0.00 0.00 55.95 58.64 1i5a s SER 492 Cb 0.10 -2.57 1.09 0.00 0.10 0.00 0.00 66.02 64.74 1i5a s SER 492 CO 0.78 -1.39 1.93 0.71 0.98 0.00 0.00 173.24 176.25 1i5a h THR 493 N 0.74 0.77 -1.12 2.02 1.35 -2.02 -3.50 112.91 111.14 1i5a h THR 493 Ca -0.49 -0.92 -0.74 0.00 -0.55 0.00 0.00 66.41 63.71 1i5a h THR 493 Cb 1.26 1.56 0.07 0.00 -1.73 0.00 0.00 68.15 69.31 1i5a h THR 493 CO 0.56 0.22 -0.04 0.52 -0.25 0.00 0.00 175.52 176.53 1i5a n VAL 505 N -3.70 0.57 -4.42 6.82 0.31 -1.26 -5.15 118.33 111.49 1i5a n VAL 505 Ca -0.01 -0.14 -0.22 0.00 -0.01 0.00 0.00 64.34 63.96 1i5a n VAL 505 Cb 0.34 -0.12 -0.06 0.00 -0.91 0.00 0.00 33.84 33.09 1i5a n VAL 505 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1i5a n GLY 506 N 1.72 3.34 0.32 2.92 0.00 -1.26 -5.00 105.19 107.22 1i5a n GLY 506 Ca 0.19 -2.08 0.03 0.00 0.00 0.00 0.00 46.02 44.17 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 0.61 -0.61 1.61 -1.53 -1.99 -0.87 114.93 112.15 1i5a h MET 507 Ca -0.27 -0.04 -0.03 0.00 -3.44 0.00 0.00 59.70 55.92 1i5a h MET 507 Cb 1.05 -0.14 -0.03 0.00 -0.55 0.00 0.00 31.60 31.93 1i5a h MET 507 CO 0.43 0.41 0.26 0.38 0.14 0.00 0.00 176.91 178.52 1i5a h ASP 508 N 0.63 0.79 -0.06 1.39 -0.00 -1.72 -0.63 116.42 116.83 1i5a h ASP 508 Ca 0.17 -0.10 -0.19 0.00 -0.00 0.00 0.00 57.03 56.92 1i5a h ASP 508 Cb -0.07 -0.20 -0.00 0.00 -0.00 0.00 0.00 39.33 39.05 1i5a h ASP 508 CO -0.04 0.70 -0.63 0.58 -0.00 0.00 0.00 179.24 179.85 1i5a h VAL 509 N 0.86 1.31 -0.28 4.15 2.07 -1.58 -1.80 116.25 120.98 1i5a h VAL 509 Ca 0.21 -1.87 0.02 0.00 0.82 0.00 0.00 66.70 65.87 1i5a h VAL 509 Cb 0.14 1.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 1i5a h VAL 509 CO -0.02 0.59 0.14 0.58 0.02 0.00 0.00 177.57 178.88 1i5a h VAL 510 N 0.50 1.00 -0.82 2.57 2.07 -0.40 -0.75 116.25 120.42 1i5a h VAL 510 Ca -0.01 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.38 1i5a h VAL 510 Cb 1.22 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 31.62 1i5a h VAL 510 CO 0.12 0.06 0.42 0.50 0.02 0.00 0.00 177.57 178.69 1i5a h LYS 511 N 0.30 1.16 -0.19 1.57 3.11 -1.09 -0.91 116.57 120.53 1i5a h LYS 511 Ca 0.12 -0.16 -0.00 0.00 -2.81 0.00 0.00 60.65 57.80 1i5a h LYS 511 Cb 0.03 -0.22 -0.01 0.00 -1.00 0.00 0.00 32.23 31.03 1i5a h LYS 511 CO -0.08 0.88 0.11 -0.97 -2.81 0.00 0.00 179.45 176.58 1i5a h ASN 512 N 1.15 0.22 -0.37 4.20 -1.24 -0.82 -0.38 115.58 118.34 1i5a h ASN 512 Ca 0.28 -0.05 -0.00 0.00 0.71 0.00 0.00 56.30 57.24 1i5a h ASN 512 Cb 0.08 -0.06 -0.02 0.00 0.73 0.00 0.00 38.32 39.05 1i5a h ASN 512 CO -0.04 0.21 0.21 0.58 -1.29 0.00 0.00 177.43 177.10 1i5a h VAL 513 N 0.22 1.13 -0.70 2.57 2.07 -0.83 0.96 116.25 121.67 1i5a h VAL 513 Ca 0.07 -0.33 0.02 0.00 0.82 0.00 0.00 66.70 67.28 1i5a h VAL 513 Cb 0.03 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 30.44 1i5a h VAL 513 CO -0.01 0.14 0.45 0.58 0.02 0.00 0.00 177.57 178.74 1i5a h VAL 514 N 0.48 1.12 -0.38 2.57 2.07 -0.98 -1.08 116.25 120.05 1i5a h VAL 514 Ca 0.13 -0.30 -0.06 0.00 0.82 0.00 0.00 66.70 67.29 1i5a h VAL 514 Cb 0.03 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 29.94 1i5a h VAL 514 CO -0.02 0.16 0.00 -0.33 0.02 0.00 0.00 177.57 177.40 1i5a h GLU 515 N 0.89 0.60 0.00 1.57 4.39 -0.69 -1.08 114.58 120.26 1i5a h GLU 515 Ca 0.27 -0.14 -0.00 0.00 0.34 0.00 0.00 59.36 59.83 1i5a h GLU 515 Cb -0.02 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 28.54 1i5a h GLU 515 CO -0.09 0.62 -0.02 1.03 -1.16 0.00 0.00 179.01 179.39 1i5a h SER 516 N 0.57 0.00 -0.65 1.42 0.87 0.46 0.18 113.55 116.40 1i5a h SER 516 Ca 0.12 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 1i5a h SER 516 Cb 0.36 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.32 1i5a h SER 516 CO 0.01 0.02 0.00 0.18 -0.53 0.00 0.00 176.83 176.51 1i5a n LEU 517 N -3.67 3.93 -2.72 2.23 4.77 -0.49 -4.92 117.00 116.14 1i5a n LEU 517 Ca -0.03 -1.97 -0.21 0.00 -0.03 0.00 0.00 56.01 53.77 1i5a n LEU 517 Cb 0.11 -0.49 0.02 0.00 -2.33 0.00 0.00 43.42 40.73 1i5a n LEU 517 CO 0.27 0.84 -0.06 -3.20 -1.33 0.00 0.00 177.39 173.91 1i5a n ASN 518 N 1.31 -5.84 -1.96 -1.43 5.15 0.05 -4.52 115.26 108.02 1i5a n ASN 518 Ca 0.23 -0.22 0.00 0.00 -0.60 0.00 0.00 54.58 54.00 1i5a n ASN 518 Cb 0.67 -4.71 0.00 0.00 -0.53 0.00 0.00 39.78 35.21 1i5a n ASN 518 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1i5a n GLY 519 N -1.38 4.11 3.18 8.20 0.00 -0.74 -4.44 105.19 114.13 1i5a n GLY 519 Ca -0.14 -2.20 -0.11 0.00 0.00 0.00 0.00 46.02 43.57 1i5a n GLY 519 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1i5a s SER 520 N -0.96 0.94 0.01 1.61 1.04 -0.14 -4.21 113.70 111.98 1i5a s SER 520 Ca 0.00 -1.10 -0.00 0.00 0.48 0.00 0.00 55.95 55.33 1i5a s SER 520 Cb 0.00 0.15 -0.01 0.00 0.10 0.00 0.00 66.02 66.26 1i5a s SER 520 CO 0.00 -0.56 -0.01 -0.51 0.98 0.00 0.00 173.24 173.13 1i5a s ILE 521 N -3.75 0.06 0.03 -1.02 2.07 -1.26 -0.96 121.20 116.37 1i5a s ILE 521 Ca 0.18 -0.51 -0.02 0.00 -1.41 0.00 0.00 60.65 58.89 1i5a s ILE 521 Cb 0.06 -0.15 -0.02 0.00 0.13 0.00 0.00 42.46 42.48 1i5a s ILE 521 CO -0.01 -0.28 0.02 -0.94 -1.91 0.00 0.00 174.94 171.82 1i5a s SER 522 N -0.82 0.26 0.07 4.50 1.04 -0.18 -4.99 113.70 113.57 1i5a s SER 522 Ca -0.09 -0.58 0.08 0.00 0.48 0.00 0.00 55.95 55.83 1i5a s SER 522 Cb -0.06 0.16 -0.03 0.00 0.10 0.00 0.00 66.02 66.20 1i5a s SER 522 CO -0.01 -0.42 -0.21 -0.63 0.98 0.00 0.00 173.24 172.95 1i5a s ILE 523 N -2.26 1.71 -0.02 -1.02 1.01 -1.26 -0.91 121.20 118.46 1i5a s ILE 523 Ca -0.08 -1.35 0.00 0.00 0.00 0.00 0.00 60.65 59.22 1i5a s ILE 523 Cb -0.04 -1.51 0.02 0.00 0.01 0.00 0.00 42.46 40.94 1i5a s ILE 523 CO -0.04 0.11 0.01 -0.70 0.00 0.00 0.00 174.94 174.32 1i5a s GLU 524 N -1.48 0.07 -0.23 2.79 2.12 -0.35 -5.02 118.70 116.60 1i5a s GLU 524 Ca 0.07 0.09 -0.24 0.00 0.36 0.00 0.00 54.97 55.26 1i5a s GLU 524 Cb -0.09 -0.23 0.06 0.00 0.26 0.00 0.00 34.13 34.13 1i5a s GLU 524 CO 0.03 -0.10 0.66 0.45 -0.54 0.00 0.00 175.26 175.76 1i5a s SER 525 N 0.69 -0.68 -0.05 -1.70 0.15 -1.26 -0.65 113.70 110.19 1i5a s SER 525 Ca -0.06 1.26 0.01 0.00 0.70 0.00 0.00 55.95 57.86 1i5a s SER 525 Cb -0.09 1.27 0.02 0.00 -1.71 0.00 0.00 66.02 65.51 1i5a s SER 525 CO -0.02 -0.27 -0.05 -0.70 1.20 0.00 0.00 173.24 173.41 1i5a s GLU 526 N 0.19 0.91 0.05 5.44 2.12 -0.79 -4.91 118.70 121.72 1i5a s GLU 526 Ca -0.01 -0.13 -0.38 0.00 0.36 0.00 0.00 54.97 54.81 1i5a s GLU 526 Cb -0.04 -0.91 -0.18 0.00 0.26 0.00 0.00 34.13 33.26 1i5a s GLU 526 CO 0.02 -0.08 1.22 1.17 -0.54 0.00 0.00 175.26 177.05 1i5a n LYS 527 N 4.08 0.67 -0.46 4.30 4.81 -1.26 -0.36 118.16 129.94 1i5a n LYS 527 Ca -0.24 0.24 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1i5a n LYS 527 Cb 0.51 -1.82 0.00 0.00 0.02 0.00 0.00 35.03 33.74 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 2.09 0.00 -0.13 3.14 8.00 0.22 -4.70 116.55 125.16 1i5a n ASP 528 Ca 0.19 0.00 -0.27 0.00 0.71 0.00 0.00 54.79 55.42 1i5a n ASP 528 Cb 0.15 -2.31 -0.11 0.00 -0.02 0.00 0.00 41.12 38.83 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 -2.00 0.60 -2.17 -1.24 4.01 0.52 -4.66 118.16 113.21 1i5a n LYS 529 Ca 0.00 0.27 0.00 0.00 -0.51 0.00 0.00 58.31 58.07 1i5a n LYS 529 Cb 0.00 -1.52 0.00 0.00 -0.51 0.00 0.00 35.03 33.00 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 1.46 -0.56 2.94 0.72 0.00 -0.76 -3.87 105.19 105.12 1i5a n GLY 530 Ca -0.51 -1.56 -0.12 0.00 0.00 0.00 0.00 46.02 43.83 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 -2.23 -0.00 -0.07 2.61 2.01 -0.77 -1.88 115.64 115.30 1i5a s THR 531 Ca 0.00 0.00 -0.01 0.00 0.31 0.00 0.00 61.69 62.00 1i5a s THR 531 Cb 0.00 -0.10 0.03 0.00 0.01 0.00 0.00 72.50 72.44 1i5a s THR 531 CO 0.00 0.00 -0.02 -0.75 -0.69 0.00 0.00 174.62 173.16 1i5a s LYS 532 N 0.04 0.78 -0.17 4.92 2.20 0.18 -1.16 119.74 126.53 1i5a s LYS 532 Ca -0.00 0.01 -0.03 0.00 -0.36 0.00 0.00 55.97 55.59 1i5a s LYS 532 Cb -0.01 -1.02 -0.02 0.00 -1.51 0.00 0.00 37.83 35.28 1i5a s LYS 532 CO 0.00 -0.24 -0.07 0.08 -0.36 0.00 0.00 175.35 174.76 1i5a s VAL 533 N 1.67 3.47 -0.12 4.02 1.01 -0.04 -1.22 120.40 129.20 1i5a s VAL 533 Ca 0.01 -0.49 0.02 0.00 0.00 0.00 0.00 61.98 61.52 1i5a s VAL 533 Cb -0.13 -2.52 -0.01 0.00 0.00 0.00 0.00 36.38 33.72 1i5a s VAL 533 CO -0.04 0.48 -0.18 -0.89 0.00 0.00 0.00 175.10 174.46 1i5a s THR 534 N 0.75 2.53 -0.09 3.92 2.01 -0.09 -1.01 115.64 123.65 1i5a s THR 534 Ca -0.03 -0.85 0.04 0.00 0.31 0.00 0.00 61.69 61.17 1i5a s THR 534 Cb -0.15 -2.02 -0.00 0.00 0.01 0.00 0.00 72.50 70.33 1i5a s THR 534 CO 0.02 0.54 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.63 1i5a s ILE 535 N 0.43 2.18 -0.19 1.82 1.01 0.87 -1.01 121.20 126.30 1i5a s ILE 535 Ca -0.14 -0.99 0.01 0.00 0.00 0.00 0.00 60.65 59.54 1i5a s ILE 535 Cb -0.17 -1.83 0.03 0.00 0.01 0.00 0.00 42.46 40.51 1i5a s ILE 535 CO 0.06 0.56 -0.15 -0.13 0.00 0.00 0.00 174.94 175.28 1i5a s ARG 536 N 0.19 2.51 -0.01 2.79 0.52 -0.14 -0.26 118.95 124.56 1i5a s ARG 536 Ca -0.14 -0.89 0.04 0.00 -0.52 0.00 0.00 55.73 54.23 1i5a s ARG 536 Cb -0.17 -2.52 -0.03 0.00 0.52 0.00 0.00 34.95 32.75 1i5a s ARG 536 CO 0.07 -0.33 -0.11 -0.51 0.02 0.00 0.00 175.30 174.44 1i5a s LEU 537 N 1.31 2.94 0.29 2.53 1.43 -0.21 -0.97 118.68 126.00 1i5a s LEU 537 Ca 0.01 -0.21 -0.29 0.00 -1.03 0.00 0.00 54.13 52.61 1i5a s LEU 537 Cb -0.15 -1.68 -0.10 0.00 0.03 0.00 0.00 46.19 44.29 1i5a s LEU 537 CO -0.10 0.30 1.18 -2.16 0.23 0.00 0.00 176.35 175.80 1i5a s PRO 538 N -1.22 4.53 0.00 1.29 0.04 -1.26 -0.41 135.00 137.97 1i5a s PRO 538 Ca 0.15 1.95 0.00 0.00 0.04 0.00 0.00 61.00 63.14 1i5a s PRO 538 Cb -0.11 -3.16 0.00 0.00 0.04 0.00 0.00 34.50 31.28 1i5a s PRO 538 CO 0.05 0.04 0.13 1.28 0.04 0.00 0.00 177.00 178.54 1i5a n LEU 539 N 1.23 1.02 0.00 -3.56 4.77 -0.14 -4.81 117.00 115.51 1i5a n LEU 539 Ca -0.00 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 1i5a n LEU 539 Cb 0.44 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 1i5a n LEU 539 CO 0.56 0.00 0.20 0.35 -1.33 0.00 0.00 177.39 177.17