#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j1k s PRO 362 N 0.00 2.81 -0.24 0.00 0.04 -1.26 -4.93 135.00 131.42 2j1k s PRO 362 Ca 0.00 0.84 -0.19 0.00 0.04 0.00 0.00 61.00 61.69 2j1k s PRO 362 Cb 0.00 -1.98 0.07 0.00 0.04 0.00 0.00 34.50 32.62 2j1k s PRO 362 CO 0.00 -1.16 0.62 -1.50 0.04 0.00 0.00 177.00 175.00 2j1k s ILE 363 N -3.10 -0.00 -0.12 0.56 -1.16 -0.58 -5.01 121.20 111.80 2j1k s ILE 363 Ca 0.58 0.01 0.03 0.00 -0.51 0.00 0.00 60.65 60.77 2j1k s ILE 363 Cb -0.14 -0.87 0.00 0.00 0.61 0.00 0.00 42.46 42.07 2j1k s ILE 363 CO 0.55 0.00 -0.23 -0.89 -2.81 0.00 0.00 174.94 171.56 2j1k s THR 364 N 0.77 2.06 -0.08 4.00 2.01 -1.26 -0.26 115.64 122.88 2j1k s THR 364 Ca -0.04 -1.00 -0.01 0.00 0.31 0.00 0.00 61.69 60.95 2j1k s THR 364 Cb -0.05 -1.80 -0.03 0.00 0.01 0.00 0.00 72.50 70.63 2j1k s THR 364 CO -0.06 0.56 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.65 2j1k s LEU 365 N 0.54 3.46 0.24 4.42 1.43 0.48 -1.32 118.68 127.92 2j1k s LEU 365 Ca -0.14 0.09 -0.22 0.00 -1.03 0.00 0.00 54.13 52.83 2j1k s LEU 365 Cb -0.17 -1.79 0.04 0.00 0.03 0.00 0.00 46.19 44.30 2j1k s LEU 365 CO 0.04 0.37 0.81 -1.66 0.23 0.00 0.00 176.35 176.14 2j1k s TRP 366 N -0.87 -0.17 -0.88 0.29 1.48 0.12 -0.03 118.94 118.88 2j1k s TRP 366 Ca 0.13 -0.24 0.27 0.00 -1.06 0.00 0.00 56.10 55.20 2j1k s TRP 366 Cb -0.11 0.69 0.85 0.00 -1.16 0.00 0.00 33.47 33.74 2j1k s TRP 366 CO 0.02 -1.10 1.70 0.25 -4.06 0.00 0.00 176.95 173.77 2j1k n THR 367 N -0.47 0.19 0.00 0.66 -2.24 -0.72 -1.97 114.28 109.74 2j1k n THR 367 Ca -0.05 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 2j1k n THR 367 Cb 0.60 -0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.52 2j1k n THR 367 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2j1k n GLY 368 N 1.43 -0.95 3.89 3.38 0.00 -1.26 -4.68 105.19 107.01 2j1k n GLY 368 Ca 0.06 -1.66 -0.29 0.00 0.00 0.00 0.00 46.02 44.13 2j1k n GLY 368 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2j1k s PRO 369 N -1.59 3.19 -1.16 1.61 0.04 -1.26 -4.13 135.00 131.70 2j1k s PRO 369 Ca 0.00 0.34 -0.06 0.00 0.04 0.00 0.00 61.00 61.32 2j1k s PRO 369 Cb 0.00 -2.18 -0.03 0.00 0.04 0.00 0.00 34.50 32.33 2j1k s PRO 369 CO 0.00 -0.65 0.86 0.41 0.04 0.00 0.00 177.00 177.66 2j1k n GLY 370 N -2.67 -0.76 3.72 0.56 0.00 -1.26 -4.90 105.19 99.88 2j1k n GLY 370 Ca 0.05 0.36 -0.37 0.00 0.00 0.00 0.00 46.02 46.06 2j1k n GLY 370 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2j1k n PRO 371 N -3.84 1.01 -1.38 1.61 -0.04 -1.26 -5.00 135.00 126.11 2j1k n PRO 371 Ca -0.17 0.40 -0.30 0.00 -0.04 0.00 0.00 63.50 63.39 2j1k n PRO 371 Cb 0.64 -2.50 0.09 0.00 -0.04 0.00 0.00 33.50 31.69 2j1k n PRO 371 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2j1k s SER 372 N -1.44 4.44 -0.47 3.54 0.01 -1.26 -4.89 113.70 113.62 2j1k s SER 372 Ca 0.82 1.58 -0.28 0.00 1.31 0.00 0.00 55.95 59.38 2j1k s SER 372 Cb -0.37 -2.32 -0.01 0.00 0.21 0.00 0.00 66.02 63.53 2j1k s SER 372 CO 0.42 -2.04 1.73 -0.63 0.41 0.00 0.00 173.24 173.12 2j1k s ILE 373 N -3.00 3.52 0.00 1.44 1.01 -1.26 -4.04 121.20 118.87 2j1k s ILE 373 Ca 0.61 0.46 0.00 0.00 0.00 0.00 0.00 60.65 61.71 2j1k s ILE 373 Cb -0.16 -3.92 0.00 0.00 0.01 0.00 0.00 42.46 38.39 2j1k s ILE 373 CO 0.56 -0.73 0.34 -0.46 0.00 0.00 0.00 174.94 174.65 2j1k n ASN 374 N 10.95 0.61 -4.32 3.58 0.23 -0.90 -4.81 115.26 120.60 2j1k n ASN 374 Ca 0.20 -1.08 -0.40 0.00 -0.53 0.00 0.00 54.58 52.76 2j1k n ASN 374 Cb 0.49 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 38.09 2j1k n ASN 374 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 2j1k s GLY 375 N -0.08 1.95 0.00 4.83 0.00 -0.14 -4.17 107.32 109.71 2j1k s GLY 375 Ca 0.00 -1.95 -0.29 0.00 0.00 0.00 0.00 44.72 42.48 2j1k s GLY 375 CO 0.00 0.91 0.94 -1.36 0.00 0.00 0.00 173.10 173.59 2j1k s PHE 376 N 1.48 3.67 -0.14 1.90 0.08 0.27 -1.28 117.98 123.97 2j1k s PHE 376 Ca 0.02 1.65 0.00 0.00 0.12 0.00 0.00 56.93 58.72 2j1k s PHE 376 Cb -0.21 -3.07 0.02 0.00 -0.57 0.00 0.00 43.02 39.19 2j1k s PHE 376 CO 0.04 0.03 -0.11 0.42 -0.10 0.00 0.00 175.22 175.50 2j1k s ILE 377 N 0.86 1.36 -1.32 0.64 1.01 -0.47 -4.80 121.20 118.47 2j1k s ILE 377 Ca 0.49 -0.50 -0.01 0.00 0.00 0.00 0.00 60.65 60.63 2j1k s ILE 377 Cb -0.21 -1.31 -0.00 0.00 0.01 0.00 0.00 42.46 40.95 2j1k s ILE 377 CO 0.27 0.42 0.62 0.59 0.00 0.00 0.00 174.94 176.84 2j1k n ASN 378 N 4.84 -1.21 -0.24 3.58 3.02 -1.26 -3.08 115.26 120.92 2j1k n ASN 378 Ca -0.15 -0.88 -0.03 0.00 -0.03 0.00 0.00 54.58 53.48 2j1k n ASN 378 Cb 0.50 -3.75 -0.01 0.00 -0.61 0.00 0.00 39.78 35.91 2j1k n ASN 378 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2j1k n ASP 379 N -3.02 -4.94 -4.21 6.41 8.00 -1.26 -4.98 116.55 112.55 2j1k n ASP 379 Ca -0.29 0.08 -0.31 0.00 0.71 0.00 0.00 54.79 54.98 2j1k n ASP 379 Cb 0.68 -2.71 -0.17 0.00 -0.02 0.00 0.00 41.12 38.90 2j1k n ASP 379 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2j1k s THR 380 N -1.59 1.92 -0.16 -3.53 2.01 -1.18 -5.10 115.64 108.02 2j1k s THR 380 Ca 0.00 -0.97 -0.29 0.00 0.31 0.00 0.00 61.69 60.74 2j1k s THR 380 Cb 0.00 -1.65 -0.02 0.00 0.01 0.00 0.00 72.50 70.84 2j1k s THR 380 CO 0.00 0.53 1.33 -2.16 -0.69 0.00 0.00 174.62 173.63 2j1k s PRO 381 N 0.14 4.21 0.00 4.92 0.04 -1.26 -1.37 135.00 141.67 2j1k s PRO 381 Ca -0.11 1.72 0.00 0.00 0.04 0.00 0.00 61.00 62.65 2j1k s PRO 381 Cb -0.16 -3.80 0.00 0.00 0.04 0.00 0.00 34.50 30.58 2j1k s PRO 381 CO 0.06 -0.75 0.02 1.33 0.04 0.00 0.00 177.00 177.70 2j1k n VAL 382 N 5.43 0.00 -4.91 -0.36 0.24 -0.40 -4.90 118.33 113.43 2j1k n VAL 382 Ca 0.14 -0.22 -0.33 0.00 -2.04 0.00 0.00 64.34 61.90 2j1k n VAL 382 Cb 0.45 1.05 -0.16 0.00 -1.47 0.00 0.00 33.84 33.71 2j1k n VAL 382 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 2j1k s ILE 383 N -0.40 2.47 -0.55 1.34 -1.09 -0.90 -0.56 121.20 121.51 2j1k s ILE 383 Ca 0.00 -0.86 -0.22 0.00 -2.23 0.00 0.00 60.65 57.34 2j1k s ILE 383 Cb 0.00 -2.00 0.06 0.00 -1.58 0.00 0.00 42.46 38.94 2j1k s ILE 383 CO 0.00 0.54 0.80 -0.60 -1.23 0.00 0.00 174.94 174.45 2j1k s ARG 384 N 0.47 3.19 -0.32 2.79 3.52 0.63 -0.96 118.95 128.28 2j1k s ARG 384 Ca -0.13 -0.68 -0.11 0.00 -0.13 0.00 0.00 55.73 54.68 2j1k s ARG 384 Cb -0.17 -4.11 -0.02 0.00 -1.56 0.00 0.00 34.95 29.09 2j1k s ARG 384 CO 0.05 -1.44 0.20 0.00 -0.81 0.00 0.00 175.30 173.31 2j1k s PHE 386 N 1.69 3.26 -0.04 0.00 5.36 0.37 -4.81 117.98 123.80 2j1k s PHE 386 Ca 0.06 0.74 0.01 0.00 -0.96 0.00 0.00 56.93 56.78 2j1k s PHE 386 Cb -0.17 -2.88 0.02 0.00 -0.34 0.00 0.00 43.02 39.65 2j1k s PHE 386 CO 0.09 -0.37 -0.05 0.42 -1.46 0.00 0.00 175.22 173.85 2j1k s ILE 387 N 2.53 0.59 -0.10 3.12 1.01 -1.26 -1.09 121.20 126.00 2j1k s ILE 387 Ca 0.26 -0.16 -0.01 0.00 0.00 0.00 0.00 60.65 60.74 2j1k s ILE 387 Cb -0.15 -0.60 0.03 0.00 0.01 0.00 0.00 42.46 41.74 2j1k s ILE 387 CO 0.09 0.23 -0.04 0.00 0.00 0.00 0.00 174.94 175.23 2j1k s LEU 389 N 1.82 4.89 -0.26 0.00 1.43 0.96 -1.13 118.68 126.39 2j1k s LEU 389 Ca 0.05 -1.20 -0.05 0.00 -1.03 0.00 0.00 54.13 51.90 2j1k s LEU 389 Cb -0.13 -2.01 0.01 0.00 0.03 0.00 0.00 46.19 44.09 2j1k s LEU 389 CO -0.07 -0.45 0.01 -0.89 0.23 0.00 0.00 176.35 175.18 2j1k s THR 390 N 1.50 3.53 -0.27 5.49 2.01 -0.57 -0.39 115.64 126.95 2j1k s THR 390 Ca 0.02 -0.72 -0.17 0.00 0.31 0.00 0.00 61.69 61.13 2j1k s THR 390 Cb -0.21 -2.76 -0.03 0.00 0.01 0.00 0.00 72.50 69.51 2j1k s THR 390 CO 0.05 0.20 0.46 -0.60 -0.69 0.00 0.00 174.62 174.04 2j1k s ARG 391 N 1.45 4.02 0.00 4.92 6.06 0.64 -0.88 118.95 135.15 2j1k s ARG 391 Ca 0.03 0.18 0.00 0.00 -2.50 0.00 0.00 55.73 53.44 2j1k s ARG 391 Cb -0.16 -3.66 0.00 0.00 0.06 0.00 0.00 34.95 31.18 2j1k s ARG 391 CO -0.01 -0.34 0.00 -0.25 -2.50 0.00 0.00 175.30 172.20 2j1k n ASP 392 N 5.47 0.00 -0.20 -2.12 8.00 -0.93 -1.52 116.55 125.25 2j1k n ASP 392 Ca -0.06 0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.37 2j1k n ASP 392 Cb 0.50 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.63 2j1k n ASP 392 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 2j1k h SER 393 N 0.00 0.76 0.00 -2.24 4.64 -1.97 -3.43 113.55 111.31 2j1k h SER 393 Ca 0.00 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 2j1k h SER 393 Cb 0.00 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 61.90 2j1k h SER 393 CO 0.00 0.68 -0.09 -3.20 -0.87 0.00 0.00 176.83 173.36 2j1k n ASN 394 N -4.54 0.23 -4.89 4.97 5.15 -1.26 -5.02 115.26 109.91 2j1k n ASN 394 Ca 0.03 0.00 -0.31 0.00 -0.60 0.00 0.00 54.58 53.70 2j1k n ASN 394 Cb 0.13 0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 39.33 2j1k n ASN 394 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2j1k s LEU 395 N -3.81 4.20 -0.18 1.20 1.43 -1.26 -0.67 118.68 119.59 2j1k s LEU 395 Ca 0.00 0.75 -0.07 0.00 -1.03 0.00 0.00 54.13 53.78 2j1k s LEU 395 Cb 0.00 -3.50 -0.04 0.00 0.03 0.00 0.00 46.19 42.68 2j1k s LEU 395 CO 0.00 -0.03 0.05 -0.69 0.23 0.00 0.00 176.35 175.92 2j1k s VAL 396 N -1.77 4.72 -0.24 -1.59 1.01 0.18 -2.19 120.40 120.53 2j1k s VAL 396 Ca 0.44 -0.06 -0.12 0.00 0.00 0.00 0.00 61.98 62.24 2j1k s VAL 396 Cb -0.12 -3.12 -0.05 0.00 0.00 0.00 0.00 36.38 33.09 2j1k s VAL 396 CO 0.23 0.46 0.23 -0.89 0.00 0.00 0.00 175.10 175.14 2j1k s THR 397 N 0.36 5.30 -0.30 3.92 2.01 -0.06 -1.97 115.64 124.91 2j1k s THR 397 Ca 0.02 0.33 -0.20 0.00 0.31 0.00 0.00 61.69 62.16 2j1k s THR 397 Cb -0.12 -3.57 -0.01 0.00 0.01 0.00 0.00 72.50 68.80 2j1k s THR 397 CO 0.00 0.30 0.60 -0.69 -0.69 0.00 0.00 174.62 174.15 2j1k s VAL 398 N 1.24 4.96 -0.19 3.82 1.01 0.43 -1.50 120.40 130.17 2j1k s VAL 398 Ca 0.11 0.84 0.00 0.00 0.00 0.00 0.00 61.98 62.92 2j1k s VAL 398 Cb -0.14 -3.97 0.02 0.00 0.00 0.00 0.00 36.38 32.29 2j1k s VAL 398 CO 0.06 -0.10 -0.17 0.21 0.00 0.00 0.00 175.10 175.10 2j1k s ASN 399 N 1.63 3.35 0.00 3.32 3.84 -0.28 -1.01 114.94 125.79 2j1k s ASN 399 Ca 0.24 -0.62 -0.07 0.00 0.21 0.00 0.00 52.86 52.63 2j1k s ASN 399 Cb -0.15 -1.53 0.00 0.00 -0.55 0.00 0.00 41.25 39.02 2j1k s ASN 399 CO 0.11 -0.01 0.13 0.00 -2.79 0.00 0.00 177.10 174.54 2j1k s ALA 400 N 1.32 -0.30 0.04 1.71 0.00 -0.11 -0.82 121.76 123.60 2j1k s ALA 400 Ca 0.05 -0.16 -0.11 0.00 0.00 0.00 0.00 51.96 51.74 2j1k s ALA 400 Cb -0.13 0.11 0.01 0.00 0.00 0.00 0.00 23.12 23.11 2j1k s ALA 400 CO -0.11 -0.20 0.23 -1.54 0.00 0.00 0.00 175.76 174.13 2j1k s SER 401 N -1.37 -0.02 0.02 0.00 1.04 -0.25 0.10 113.70 113.23 2j1k s SER 401 Ca -0.15 -0.30 0.03 0.00 0.48 0.00 0.00 55.95 56.01 2j1k s SER 401 Cb -0.08 0.31 -0.02 0.00 0.10 0.00 0.00 66.02 66.33 2j1k s SER 401 CO 0.01 -0.57 -0.09 -0.36 0.98 0.00 0.00 173.24 173.22 2j1k s PHE 402 N -2.49 0.78 -0.14 5.02 0.08 -1.26 -0.48 117.98 119.49 2j1k s PHE 402 Ca -0.06 -0.30 -0.02 0.00 0.12 0.00 0.00 56.93 56.67 2j1k s PHE 402 Cb -0.01 -0.48 0.05 0.00 -0.57 0.00 0.00 43.02 42.01 2j1k s PHE 402 CO -0.03 -0.02 0.02 0.08 -0.10 0.00 0.00 175.22 175.17 2j1k s VAL 403 N -0.73 0.44 0.41 -0.44 1.01 -0.43 -0.58 120.40 120.08 2j1k s VAL 403 Ca -0.02 -0.25 -0.25 0.00 0.00 0.00 0.00 61.98 61.46 2j1k s VAL 403 Cb -0.06 -0.80 -0.08 0.00 0.00 0.00 0.00 36.38 35.43 2j1k s VAL 403 CO 0.00 -0.01 1.25 -0.83 0.00 0.00 0.00 175.10 175.52 2j1k s GLY 404 N 1.92 2.90 0.21 4.51 0.00 0.14 -0.27 107.32 116.73 2j1k s GLY 404 Ca 0.02 1.14 0.06 0.00 0.00 0.00 0.00 44.72 45.94 2j1k s GLY 404 CO -0.07 1.69 -0.10 -0.54 0.00 0.00 0.00 173.10 174.08 2j1k s GLU 405 N -2.31 1.31 6.96 2.90 0.41 0.28 -3.81 118.70 124.44 2j1k s GLU 405 Ca 0.58 -1.61 0.00 0.00 -0.41 0.00 0.00 54.97 53.53 2j1k s GLU 405 Cb -0.35 -0.95 0.00 0.00 -1.78 0.00 0.00 34.13 31.05 2j1k s GLU 405 CO 0.45 0.09 0.00 0.41 -0.49 0.00 0.00 175.26 175.72 2j1k n GLY 406 N -0.39 3.73 0.06 -1.39 0.00 -1.26 -1.08 105.19 104.86 2j1k n GLY 406 Ca -0.08 0.02 0.07 0.00 0.00 0.00 0.00 46.02 46.03 2j1k n GLY 406 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2j1k n GLY 407 N 0.00 -0.91 1.29 -0.02 0.00 -1.26 -2.10 105.19 102.19 2j1k n GLY 407 Ca 0.00 0.04 0.10 0.00 0.00 0.00 0.00 46.02 46.16 2j1k n GLY 407 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2j1k n TYR 408 N -1.80 1.00 -0.10 1.61 4.01 -0.24 -4.54 117.16 117.09 2j1k n TYR 408 Ca 0.01 -0.52 -0.12 0.00 -0.16 0.00 0.00 57.90 57.11 2j1k n TYR 408 Cb 0.12 -0.05 -0.04 0.00 -0.31 0.00 0.00 39.34 39.06 2j1k n TYR 408 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 2j1k h ARG 409 N 3.90 0.58 -5.19 -0.72 2.43 -1.46 -3.34 114.38 110.58 2j1k h ARG 409 Ca 0.00 -0.23 -0.65 0.00 -0.81 0.00 0.00 59.98 58.28 2j1k h ARG 409 Cb 1.04 -0.03 -0.26 0.00 -0.42 0.00 0.00 29.97 30.30 2j1k h ARG 409 CO 0.04 0.79 -0.73 0.42 -1.51 0.00 0.00 179.97 178.98 2j1k s ILE 410 N -4.71 3.31 -0.05 1.20 -1.09 -1.26 -0.85 121.20 117.74 2j1k s ILE 410 Ca -0.13 -0.55 -0.02 0.00 -2.23 0.00 0.00 60.65 57.73 2j1k s ILE 410 Cb 0.08 -2.45 -0.04 0.00 -1.58 0.00 0.00 42.46 38.48 2j1k s ILE 410 CO 0.78 0.48 0.04 0.68 -1.23 0.00 0.00 174.94 175.70 2j1k s VAL 411 N 0.80 4.56 0.34 2.92 -7.23 -0.09 -4.89 120.40 116.82 2j1k s VAL 411 Ca -0.03 -0.29 0.07 0.00 -1.81 0.00 0.00 61.98 59.92 2j1k s VAL 411 Cb -0.15 -2.99 -0.01 0.00 0.56 0.00 0.00 36.38 33.78 2j1k s VAL 411 CO 0.01 0.50 0.41 -0.94 -0.31 0.00 0.00 175.10 174.77 2j1k s SER 412 N -1.25 5.72 0.64 4.85 1.04 -1.26 -0.92 113.70 122.53 2j1k s SER 412 Ca 0.17 -0.30 0.37 0.00 0.48 0.00 0.00 55.95 56.67 2j1k s SER 412 Cb -0.12 -1.12 2.06 0.00 0.10 0.00 0.00 66.02 66.94 2j1k s SER 412 CO 0.07 -0.42 2.23 -0.65 0.98 0.00 0.00 173.24 175.45 2j1k h PRO 413 N 1.01 0.00 -0.04 4.02 0.11 -1.78 -1.05 132.00 134.26 2j1k h PRO 413 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2j1k h PRO 413 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2j1k h PRO 413 CO 0.54 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.58 2j1k n THR 414 N -3.30 0.05 -1.82 -1.15 -2.24 -1.26 -2.72 114.28 101.85 2j1k n THR 414 Ca -0.02 -0.13 -0.42 0.00 -2.27 0.00 0.00 64.05 61.21 2j1k n THR 414 Cb 0.17 -0.03 -0.03 0.00 -2.10 0.00 0.00 70.33 68.34 2j1k n THR 414 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 2j1k s GLN 415 N -1.95 4.17 0.48 -0.78 2.00 -0.40 -4.96 119.66 118.21 2j1k s GLN 415 Ca 0.36 2.48 -0.22 0.00 -2.00 0.00 0.00 55.36 55.98 2j1k s GLN 415 Cb 0.18 -3.45 -0.07 0.00 0.80 0.00 0.00 33.01 30.46 2j1k s GLN 415 CO 0.29 -0.76 1.14 -1.54 -0.50 0.00 0.00 175.29 173.92 2j1k s SER 416 N 2.16 6.12 0.57 6.67 1.04 -1.26 -4.59 113.70 124.41 2j1k s SER 416 Ca 0.76 2.24 -0.19 0.00 0.48 0.00 0.00 55.95 59.24 2j1k s SER 416 Cb -0.44 -2.59 -0.04 0.00 0.10 0.00 0.00 66.02 63.04 2j1k s SER 416 CO 0.34 -0.95 1.17 -1.10 0.98 0.00 0.00 173.24 173.68 2j1k s GLN 417 N -2.85 3.13 0.04 4.02 -0.21 -1.26 -5.00 119.66 117.53 2j1k s GLN 417 Ca 0.65 1.73 -0.14 0.00 0.02 0.00 0.00 55.36 57.62 2j1k s GLN 417 Cb -0.26 -1.96 0.02 0.00 1.00 0.00 0.00 33.01 31.81 2j1k s GLN 417 CO 0.32 -1.05 0.31 -0.59 -2.12 0.00 0.00 175.29 172.15 2j1k s PHE 418 N -1.68 -0.12 -0.14 0.91 -0.12 -1.01 -5.00 117.98 110.82 2j1k s PHE 418 Ca 0.75 -0.00 -0.05 0.00 -0.05 0.00 0.00 56.93 57.59 2j1k s PHE 418 Cb -0.27 0.11 -0.04 0.00 -0.63 0.00 0.00 43.02 42.19 2j1k s PHE 418 CO 0.30 -0.51 0.03 -1.12 -0.05 0.00 0.00 175.22 173.88 2j1k s SER 419 N -2.04 5.42 -0.42 1.98 0.01 -1.26 -1.21 113.70 116.17 2j1k s SER 419 Ca -0.05 0.11 -0.09 0.00 1.31 0.00 0.00 55.95 57.22 2j1k s SER 419 Cb -0.01 -1.76 0.08 0.00 0.21 0.00 0.00 66.02 64.54 2j1k s SER 419 CO -0.03 0.27 0.27 -0.76 0.41 0.00 0.00 173.24 173.40 2j1k s LEU 420 N -0.23 5.21 -0.21 2.44 1.43 0.58 -4.93 118.68 122.96 2j1k s LEU 420 Ca 0.07 -1.54 -0.14 0.00 -1.03 0.00 0.00 54.13 51.49 2j1k s LEU 420 Cb -0.12 -1.99 -0.04 0.00 0.03 0.00 0.00 46.19 44.06 2j1k s LEU 420 CO 0.02 -0.55 0.33 -0.63 0.23 0.00 0.00 176.35 175.75 2j1k s ILE 421 N 1.42 5.24 -0.17 -0.59 1.01 -1.26 -1.41 121.20 125.44 2j1k s ILE 421 Ca 0.03 0.57 -0.16 0.00 0.00 0.00 0.00 60.65 61.09 2j1k s ILE 421 Cb -0.23 -3.67 -0.04 0.00 0.01 0.00 0.00 42.46 38.53 2j1k s ILE 421 CO 0.02 0.28 0.38 -0.04 0.00 0.00 0.00 174.94 175.57 2j1k s MET 422 N 1.22 4.23 -0.14 2.79 -1.94 0.27 -0.04 119.30 125.69 2j1k s MET 422 Ca 0.16 0.21 -0.02 0.00 -1.71 0.00 0.00 55.69 54.32 2j1k s MET 422 Cb -0.14 -3.48 -0.02 0.00 2.01 0.00 0.00 34.83 33.19 2j1k s MET 422 CO 0.07 0.09 -0.08 -1.21 -0.01 0.00 0.00 175.02 173.88 2j1k s GLU 423 N 0.90 3.55 0.01 2.03 2.02 -1.26 -1.87 118.70 124.08 2j1k s GLU 423 Ca 0.19 -0.59 0.07 0.00 0.02 0.00 0.00 54.97 54.67 2j1k s GLU 423 Cb -0.14 -2.79 -0.02 0.00 0.10 0.00 0.00 34.13 31.27 2j1k s GLU 423 CO 0.07 0.23 -0.23 -0.06 0.02 0.00 0.00 175.26 175.29 2j1k s PHE 424 N 0.36 2.00 0.98 1.61 0.08 -0.23 0.47 117.98 123.25 2j1k s PHE 424 Ca -0.07 -0.38 -0.17 0.00 0.12 0.00 0.00 56.93 56.43 2j1k s PHE 424 Cb -0.15 -1.25 0.23 0.00 -0.57 0.00 0.00 43.02 41.29 2j1k s PHE 424 CO 0.04 0.03 1.15 -0.40 -0.10 0.00 0.00 175.22 175.94 2j1k n ASP 425 N 2.23 -0.62 0.10 1.36 5.68 -0.36 -1.41 116.55 123.52 2j1k n ASP 425 Ca -0.16 -1.33 0.10 0.00 -0.50 0.00 0.00 54.79 52.90 2j1k n ASP 425 Cb 0.52 -0.93 0.44 0.00 -1.14 0.00 0.00 41.12 40.01 2j1k n ASP 425 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2j1k n GLN 426 N -3.93 0.13 -0.22 0.11 0.00 -1.26 -1.72 117.38 110.50 2j1k n GLN 426 Ca 0.15 0.41 0.10 0.00 0.00 0.00 0.00 57.00 57.66 2j1k n GLN 426 Cb 0.54 -1.78 0.22 0.00 0.00 0.00 0.00 30.24 29.22 2j1k n GLN 426 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 2j1k n PHE 427 N -2.03 0.57 -1.21 2.61 3.72 -1.26 -4.93 117.46 114.93 2j1k n PHE 427 Ca 0.02 -0.33 0.00 0.00 -0.05 0.00 0.00 57.45 57.09 2j1k n PHE 427 Cb 0.18 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.72 2j1k n PHE 427 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2j1k n GLY 428 N 1.33 0.55 3.64 1.37 0.00 -0.70 -2.62 105.19 108.76 2j1k n GLY 428 Ca 0.18 -0.84 -0.35 0.00 0.00 0.00 0.00 46.02 45.02 2j1k n GLY 428 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2j1k s GLN 429 N -2.50 3.98 0.21 1.61 -0.21 -1.26 -4.64 119.66 116.86 2j1k s GLN 429 Ca 0.00 -0.34 -0.32 0.00 0.02 0.00 0.00 55.36 54.73 2j1k s GLN 429 Cb 0.00 -3.23 -0.12 0.00 1.00 0.00 0.00 33.01 30.66 2j1k s GLN 429 CO 0.00 0.27 1.69 -1.17 -2.12 0.00 0.00 175.29 173.96 2j1k s LEU 430 N 0.39 4.37 0.64 2.90 2.96 -1.26 -1.23 118.68 127.45 2j1k s LEU 430 Ca 0.03 2.85 -0.02 0.00 -0.22 0.00 0.00 54.13 56.77 2j1k s LEU 430 Cb -0.12 -3.60 0.06 0.00 0.50 0.00 0.00 46.19 43.02 2j1k s LEU 430 CO 0.00 -0.95 0.90 -0.04 -1.32 0.00 0.00 176.35 174.94 2j1k s MET 431 N 0.96 2.29 0.00 1.98 -1.94 0.18 -4.51 119.30 118.26 2j1k s MET 431 Ca 0.73 -0.59 0.17 0.00 -1.71 0.00 0.00 55.69 54.29 2j1k s MET 431 Cb -0.49 -2.33 0.48 0.00 2.01 0.00 0.00 34.83 34.50 2j1k s MET 431 CO 0.34 -1.03 1.40 -1.13 -0.01 0.00 0.00 175.02 174.59 2j1k n SER 432 N -2.65 2.60 -0.01 3.03 3.41 -1.26 -1.98 113.62 116.77 2j1k n SER 432 Ca 0.09 -1.96 0.09 0.00 -0.26 0.00 0.00 58.87 56.83 2j1k n SER 432 Cb 0.60 -0.29 -0.13 0.00 -0.26 0.00 0.00 64.21 64.12 2j1k n SER 432 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2j1k n THR 433 N 0.92 0.00 -2.11 6.66 -2.24 -1.26 -4.76 114.28 111.49 2j1k n THR 433 Ca 0.17 -0.30 -0.28 0.00 -2.27 0.00 0.00 64.05 61.37 2j1k n THR 433 Cb 0.43 0.41 0.17 0.00 -2.10 0.00 0.00 70.33 69.23 2j1k n THR 433 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2j1k s GLY 434 N -3.68 1.78 0.31 3.38 0.00 -1.26 -4.99 107.32 102.86 2j1k s GLY 434 Ca -0.02 -1.36 0.12 0.00 0.00 0.00 0.00 44.72 43.47 2j1k s GLY 434 CO 0.79 -0.64 1.68 3.43 0.00 0.00 0.00 173.10 178.36 2j1k h ASN 435 N -1.34 0.00 -3.31 1.64 4.21 -0.77 -3.38 115.58 112.63 2j1k h ASN 435 Ca -0.42 0.00 -0.66 0.00 1.21 0.00 0.00 56.30 56.43 2j1k h ASN 435 Cb 1.24 0.00 -0.29 0.00 -1.12 0.00 0.00 38.32 38.15 2j1k h ASN 435 CO 0.38 0.53 -0.76 -0.63 -1.29 0.00 0.00 177.43 175.66 2j1k s ILE 436 N -3.72 3.04 0.33 2.81 1.01 -0.92 -0.56 121.20 123.18 2j1k s ILE 436 Ca -0.01 -0.62 -0.04 0.00 0.00 0.00 0.00 60.65 59.98 2j1k s ILE 436 Cb 0.13 -2.34 0.00 0.00 0.01 0.00 0.00 42.46 40.25 2j1k s ILE 436 CO 0.74 0.47 0.47 0.54 0.00 0.00 0.00 174.94 177.16 2j1k s ASN 437 N 1.23 0.77 0.00 3.58 2.20 -1.26 -4.20 114.94 117.26 2j1k s ASN 437 Ca 0.02 -1.42 0.15 0.00 -0.94 0.00 0.00 52.86 50.67 2j1k s ASN 437 Cb -0.14 0.65 0.88 0.00 -2.00 0.00 0.00 41.25 40.64 2j1k s ASN 437 CO -0.04 -1.28 1.34 -1.54 -2.94 0.00 0.00 177.10 172.64 2j1k n SER 438 N -1.27 0.00 0.03 3.54 3.41 -0.84 -2.69 113.62 115.80 2j1k n SER 438 Ca 0.00 -0.81 0.14 0.00 -0.26 0.00 0.00 58.87 57.94 2j1k n SER 438 Cb 0.62 0.00 0.56 0.00 -0.26 0.00 0.00 64.21 65.13 2j1k n SER 438 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2j1k n THR 439 N -0.86 0.16 -4.09 6.66 -2.24 -1.26 -4.83 114.28 107.81 2j1k n THR 439 Ca 0.11 -0.07 -0.24 0.00 -2.27 0.00 0.00 64.05 61.59 2j1k n THR 439 Cb 0.05 -0.53 -0.07 0.00 -2.10 0.00 0.00 70.33 67.69 2j1k n THR 439 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2j1k s THR 440 N -3.03 2.63 0.03 4.28 -4.23 -1.10 -5.08 115.64 109.15 2j1k s THR 440 Ca 0.13 -1.70 -0.33 0.00 -1.18 0.00 0.00 61.69 58.62 2j1k s THR 440 Cb 0.17 -2.97 -0.11 0.00 1.34 0.00 0.00 72.50 70.93 2j1k s THR 440 CO 0.54 -0.09 1.84 0.41 -0.54 0.00 0.00 174.62 176.78 2j1k n THR 441 N -1.20 0.47 -3.64 3.99 -1.04 -1.26 -4.96 114.28 106.64 2j1k n THR 441 Ca -0.02 -0.08 -0.08 0.00 -2.04 0.00 0.00 64.05 61.83 2j1k n THR 441 Cb 0.63 -1.95 -0.07 0.00 -1.82 0.00 0.00 70.33 67.11 2j1k n THR 441 CO 0.00 0.00 0.00 0.86 -0.64 0.00 0.00 175.07 175.29 2j1k s TRP 442 N 3.29 -0.81 -1.79 -1.42 -0.11 -1.26 -4.56 118.94 112.28 2j1k s TRP 442 Ca 0.87 1.74 0.00 0.00 1.22 0.00 0.00 56.10 59.93 2j1k s TRP 442 Cb -0.60 0.44 0.00 0.00 -1.50 0.00 0.00 33.47 31.82 2j1k s TRP 442 CO 0.44 -0.40 0.00 0.41 -4.62 0.00 0.00 176.95 172.79 2j1k n GLY 443 N 3.44 -0.85 3.76 5.86 0.00 -0.83 -4.55 105.19 112.03 2j1k n GLY 443 Ca -0.17 -0.85 -0.39 0.00 0.00 0.00 0.00 46.02 44.61 2j1k n GLY 443 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2j1k s GLU 444 N -0.72 4.73 -0.28 1.61 2.12 -0.08 0.16 118.70 126.24 2j1k s GLU 444 Ca 0.00 1.39 -0.18 0.00 0.36 0.00 0.00 54.97 56.53 2j1k s GLU 444 Cb 0.00 -3.11 -0.02 0.00 0.26 0.00 0.00 34.13 31.26 2j1k s GLU 444 CO 0.00 0.44 0.54 0.21 -0.54 0.00 0.00 175.26 175.91 2j1k s LYS 445 N -1.49 3.99 0.41 4.30 2.20 -0.43 -0.73 119.74 127.99 2j1k s LYS 445 Ca 0.44 0.28 -0.24 0.00 -0.36 0.00 0.00 55.97 56.09 2j1k s LYS 445 Cb -0.23 -3.68 -0.08 0.00 -1.51 0.00 0.00 37.83 32.32 2j1k s LYS 445 CO 0.28 -0.43 1.10 -2.14 -0.36 0.00 0.00 175.35 173.81 2j1k s PRO 446 N 2.39 4.04 0.14 4.03 0.02 -1.26 -4.50 135.00 139.86 2j1k s PRO 446 Ca 0.22 1.64 -0.31 0.00 0.02 0.00 0.00 61.00 62.56 2j1k s PRO 446 Cb -0.15 -2.53 -0.10 0.00 0.02 0.00 0.00 34.50 31.73 2j1k s PRO 446 CO 0.10 -0.27 1.72 -0.46 -0.33 0.00 0.00 177.00 177.76 2j1k s TRP 447 N -1.58 2.55 0.00 6.54 -0.00 -1.26 -3.10 118.94 122.08 2j1k s TRP 447 Ca 0.59 0.25 0.00 0.00 -0.00 0.00 0.00 56.10 56.94 2j1k s TRP 447 Cb -0.25 -4.08 0.00 0.00 -0.00 0.00 0.00 33.47 29.14 2j1k s TRP 447 CO 0.31 -4.27 0.00 0.41 -0.00 0.00 0.00 176.95 173.40 2j1k n GLY 448 N 4.04 1.78 3.49 5.86 0.00 -1.26 -5.06 105.19 114.03 2j1k n GLY 448 Ca 0.16 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.08 2j1k n GLY 448 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2j1k s ASN 449 N -1.66 0.10 -0.29 1.61 2.20 -1.18 -5.06 114.94 110.65 2j1k s ASN 449 Ca 0.00 -1.11 0.11 0.00 -0.94 0.00 0.00 52.86 50.92 2j1k s ASN 449 Cb 0.00 0.55 0.76 0.00 -2.00 0.00 0.00 41.25 40.56 2j1k s ASN 449 CO 0.00 -1.09 1.78 0.59 -2.94 0.00 0.00 177.10 175.44 2j1k n ASN 450 N -0.49 5.07 -4.84 3.54 3.02 -1.26 -4.40 115.26 115.89 2j1k n ASN 450 Ca -0.00 -3.14 -0.31 0.00 -0.03 0.00 0.00 54.58 51.09 2j1k n ASN 450 Cb 0.63 -0.72 0.04 0.00 -0.61 0.00 0.00 39.78 39.11 2j1k n ASN 450 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2j1k s THR 451 N -2.93 4.20 -0.28 3.41 -4.23 -1.26 -4.55 115.64 110.00 2j1k s THR 451 Ca 0.55 0.72 -0.01 0.00 -1.18 0.00 0.00 61.69 61.76 2j1k s THR 451 Cb 0.43 -3.56 0.05 0.00 1.34 0.00 0.00 72.50 70.75 2j1k s THR 451 CO 0.14 -0.93 -0.04 -0.69 -0.54 0.00 0.00 174.62 172.56 2j1k s VAL 452 N -3.12 2.78 -0.41 2.29 1.01 -1.26 -4.31 120.40 117.38 2j1k s VAL 452 Ca 0.57 -1.36 -0.18 0.00 0.00 0.00 0.00 61.98 61.01 2j1k s VAL 452 Cb -0.13 -2.57 0.02 0.00 0.00 0.00 0.00 36.38 33.70 2j1k s VAL 452 CO 0.54 -0.02 0.48 -1.10 0.00 0.00 0.00 175.10 175.00 2j1k s GLN 453 N 1.23 3.22 0.31 2.72 -1.52 0.09 -4.85 119.66 120.87 2j1k s GLN 453 Ca -0.05 -0.60 0.25 0.00 -1.95 0.00 0.00 55.36 53.01 2j1k s GLN 453 Cb -0.19 -3.94 0.60 0.00 -0.22 0.00 0.00 33.01 29.26 2j1k s GLN 453 CO -0.03 -0.83 1.70 -1.00 -0.25 0.00 0.00 175.29 174.88 2j1k h PRO 454 N 8.71 0.00 -6.23 2.91 0.13 -1.88 -0.18 132.00 135.46 2j1k h PRO 454 Ca -0.27 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.30 2j1k h PRO 454 Cb 1.11 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 2j1k h PRO 454 CO 0.80 0.00 1.24 0.50 -0.23 0.00 0.00 178.00 180.32 2j1k s ARG 455 N -3.15 3.71 0.75 0.86 3.52 -1.26 -4.94 118.95 118.44 2j1k s ARG 455 Ca 0.09 1.98 -0.14 0.00 -0.13 0.00 0.00 55.73 57.53 2j1k s ARG 455 Cb 0.09 -4.15 0.05 0.00 -1.56 0.00 0.00 34.95 29.38 2j1k s ARG 455 CO 0.63 -1.42 1.18 -2.14 -0.81 0.00 0.00 175.30 172.74 2j1k s PRO 456 N 5.05 2.08 0.09 5.12 0.02 -1.26 -4.90 135.00 141.19 2j1k s PRO 456 Ca 0.83 1.64 0.01 0.00 0.02 0.00 0.00 61.00 63.50 2j1k s PRO 456 Cb -0.31 -1.84 -0.04 0.00 0.02 0.00 0.00 34.50 32.33 2j1k s PRO 456 CO 0.34 -1.85 -0.06 0.45 -0.33 0.00 0.00 177.00 175.54 2j1k s SER 457 N -2.29 1.01 0.46 2.53 0.15 -1.26 -5.04 113.70 109.26 2j1k s SER 457 Ca 0.71 -0.96 0.23 0.00 0.70 0.00 0.00 55.95 56.63 2j1k s SER 457 Cb -0.26 0.11 1.11 0.00 -1.71 0.00 0.00 66.02 65.27 2j1k s SER 457 CO 0.47 -0.46 1.94 1.12 1.20 0.00 0.00 173.24 177.51 2j1k h HIS 458 N 3.15 0.00 0.00 3.44 2.07 -1.96 -2.69 115.15 119.15 2j1k h HIS 458 Ca -0.35 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.17 2j1k h HIS 458 Cb 1.17 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.15 2j1k h HIS 458 CO 0.59 0.22 0.00 1.79 -3.07 0.00 0.00 177.93 177.45 2j1k h THR 459 N 0.00 0.00 -0.06 6.12 1.35 -1.96 -3.12 112.91 115.24 2j1k h THR 459 Ca -0.00 -0.24 -0.04 0.00 -0.55 0.00 0.00 66.41 65.57 2j1k h THR 459 Cb 0.53 1.00 -0.01 0.00 -1.73 0.00 0.00 68.15 67.94 2j1k h THR 459 CO 0.03 0.00 -0.15 -0.50 -0.25 0.00 0.00 175.52 174.65 2j1k h TRP 460 N 0.00 0.09 -0.48 4.73 4.06 -1.71 -1.98 115.95 120.66 2j1k h TRP 460 Ca 0.00 -0.01 0.11 0.00 2.06 0.00 0.00 58.89 61.05 2j1k h TRP 460 Cb 0.34 -0.03 -0.02 0.00 -1.00 0.00 0.00 29.16 28.45 2j1k h TRP 460 CO 0.00 0.24 0.34 -0.22 -3.56 0.00 0.00 178.44 175.24 2j1k h LYS 461 N 0.09 0.14 0.00 0.49 3.64 -1.44 -1.93 116.57 117.57 2j1k h LYS 461 Ca 0.02 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2j1k h LYS 461 Cb 0.32 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 2j1k h LYS 461 CO 0.02 0.09 0.00 -0.07 -2.27 0.00 0.00 179.45 177.23 2j1k h LEU 462 N 0.15 0.00 -0.09 5.20 3.38 -1.58 -1.21 115.31 121.16 2j1k h LEU 462 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 2j1k h LEU 462 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 2j1k h LEU 462 CO -0.03 0.00 -0.01 0.00 0.09 0.00 0.00 178.44 178.49 2j1k s MET 464 N -2.20 3.75 -0.08 0.00 -1.94 -0.46 -4.90 119.30 113.48 2j1k s MET 464 Ca 0.40 0.19 -0.30 0.00 -1.71 0.00 0.00 55.69 54.28 2j1k s MET 464 Cb 0.21 -2.67 -0.05 0.00 2.01 0.00 0.00 34.83 34.34 2j1k s MET 464 CO 0.40 0.32 1.57 -1.25 -0.01 0.00 0.00 175.02 176.05 2j1k s PRO 465 N -2.91 4.19 -0.47 2.03 0.04 -1.26 -0.18 135.00 136.43 2j1k s PRO 465 Ca 0.46 2.07 -0.46 0.00 0.04 0.00 0.00 61.00 63.11 2j1k s PRO 465 Cb -0.11 -3.94 -0.19 0.00 0.04 0.00 0.00 34.50 30.30 2j1k s PRO 465 CO 0.23 -0.82 1.71 -1.71 0.04 0.00 0.00 177.00 176.45 2j1k n ASN 466 N 7.02 1.29 0.17 6.66 2.85 -0.36 -4.69 115.26 128.21 2j1k n ASN 466 Ca 0.16 1.09 0.03 0.00 -0.11 0.00 0.00 54.58 55.75 2j1k n ASN 466 Cb 0.43 -0.92 0.31 0.00 1.24 0.00 0.00 39.78 40.84 2j1k n ASN 466 CO 0.00 0.00 0.00 0.08 -2.11 0.00 0.00 177.26 175.23 2j1k h ARG 467 N 5.99 0.00 0.06 1.20 0.11 -1.90 0.78 114.38 120.61 2j1k h ARG 467 Ca -0.39 0.00 -0.17 0.00 0.10 0.00 0.00 59.98 59.52 2j1k h ARG 467 Cb 1.37 0.00 0.02 0.00 1.11 0.00 0.00 29.97 32.47 2j1k h ARG 467 CO 1.00 0.45 -0.72 1.49 0.10 0.00 0.00 179.97 182.28 2j1k h GLU 468 N 0.00 0.38 -0.65 0.08 4.81 -1.98 -2.26 114.58 114.96 2j1k h GLU 468 Ca -0.00 -0.49 -0.04 0.00 -0.13 0.00 0.00 59.36 58.70 2j1k h GLU 468 Cb 0.87 0.16 -0.03 0.00 0.63 0.00 0.00 28.75 30.38 2j1k h GLU 468 CO 0.06 1.17 0.27 0.28 -0.73 0.00 0.00 179.01 180.06 2j1k h VAL 469 N -0.18 1.23 -1.94 0.32 2.07 -1.92 -3.20 116.25 112.64 2j1k h VAL 469 Ca -0.11 -0.72 -0.70 0.00 0.82 0.00 0.00 66.70 66.00 2j1k h VAL 469 Cb 1.47 0.50 -0.34 0.00 -1.52 0.00 0.00 31.29 31.41 2j1k h VAL 469 CO 0.14 0.29 0.26 -1.22 0.02 0.00 0.00 177.57 177.06 2j1k n TYR 470 N -4.43 3.24 0.16 1.57 4.01 0.26 -4.68 117.16 117.29 2j1k n TYR 470 Ca 0.04 -2.86 0.05 0.00 -0.16 0.00 0.00 57.90 54.97 2j1k n TYR 470 Cb 0.16 -0.75 0.13 0.00 -0.31 0.00 0.00 39.34 38.57 2j1k n TYR 470 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2j1k h SER 471 N 3.09 0.00 -2.88 7.72 4.64 -1.40 -3.42 113.55 121.29 2j1k h SER 471 Ca 0.42 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 61.13 2j1k h SER 471 Cb 0.42 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 62.39 2j1k h SER 471 CO 1.12 0.41 -0.67 0.42 -0.87 0.00 0.00 176.83 177.23 2j1k s THR 472 N -3.14 3.59 0.46 2.95 -4.23 -1.26 -5.08 115.64 108.93 2j1k s THR 472 Ca 0.03 -1.49 -0.25 0.00 -1.18 0.00 0.00 61.69 58.80 2j1k s THR 472 Cb 0.08 -2.80 -0.08 0.00 1.34 0.00 0.00 72.50 71.03 2j1k s THR 472 CO 0.72 -0.12 1.39 -2.65 -0.54 0.00 0.00 174.62 173.42 2j1k n PRO 473 N -0.11 2.12 -4.38 3.99 -0.02 -1.26 -4.96 135.00 130.38 2j1k n PRO 473 Ca -0.10 0.76 -0.24 0.00 -2.02 0.00 0.00 63.50 61.90 2j1k n PRO 473 Cb 0.55 -2.57 -0.09 0.00 -0.02 0.00 0.00 33.50 31.37 2j1k n PRO 473 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2j1k s ALA 474 N -1.21 3.05 0.06 3.55 0.00 -0.87 -4.96 121.76 121.39 2j1k s ALA 474 Ca 0.62 -1.87 -0.11 0.00 0.00 0.00 0.00 51.96 50.60 2j1k s ALA 474 Cb -0.46 -0.42 0.01 0.00 0.00 0.00 0.00 23.12 22.25 2j1k s ALA 474 CO 0.57 0.18 0.25 0.00 0.00 0.00 0.00 175.76 176.76 2j1k s ALA 475 N -2.47 -0.49 -0.14 0.00 0.00 -1.26 -0.01 121.76 117.39 2j1k s ALA 475 Ca 0.32 -0.25 -0.04 0.00 0.00 0.00 0.00 51.96 51.99 2j1k s ALA 475 Cb -0.03 0.39 0.05 0.00 0.00 0.00 0.00 23.12 23.53 2j1k s ALA 475 CO 0.18 -0.45 0.07 0.99 0.00 0.00 0.00 175.76 176.56 2j1k s THR 476 N -3.04 -0.02 -0.17 0.00 2.01 -0.54 -5.00 115.64 108.87 2j1k s THR 476 Ca -0.01 -0.05 -0.19 0.00 0.31 0.00 0.00 61.69 61.75 2j1k s THR 476 Cb 0.01 -0.51 -0.03 0.00 0.01 0.00 0.00 72.50 71.97 2j1k s THR 476 CO -0.06 -0.14 0.52 -0.51 -0.69 0.00 0.00 174.62 173.73 2j1k s ILE 477 N 2.11 5.12 0.12 1.82 2.07 -1.26 -1.04 121.20 130.14 2j1k s ILE 477 Ca 0.03 0.98 0.07 0.00 -1.41 0.00 0.00 60.65 60.31 2j1k s ILE 477 Cb -0.15 -3.85 -0.04 0.00 0.13 0.00 0.00 42.46 38.56 2j1k s ILE 477 CO -0.07 0.22 -0.17 -0.44 -1.91 0.00 0.00 174.94 172.57 2j1k s SER 478 N 1.00 2.22 0.30 4.50 0.01 -0.04 -4.98 113.70 116.71 2j1k s SER 478 Ca 0.25 -0.75 -0.29 0.00 1.31 0.00 0.00 55.95 56.47 2j1k s SER 478 Cb -0.15 -0.10 -0.13 0.00 0.21 0.00 0.00 66.02 65.85 2j1k s SER 478 CO 0.10 -0.06 1.36 -1.14 0.41 0.00 0.00 173.24 173.91 2j1k n ARG 479 N 0.76 2.16 -3.70 12.44 0.63 -1.26 -0.21 116.66 127.48 2j1k n ARG 479 Ca -0.17 0.76 -0.30 0.00 -0.92 0.00 0.00 57.85 57.23 2j1k n ARG 479 Cb 0.56 -2.39 -0.14 0.00 0.45 0.00 0.00 32.46 30.94 2j1k n ARG 479 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2j1k s GLY 481 N 0.94 2.93 -0.06 0.00 0.00 -1.26 -0.91 107.32 108.95 2j1k s GLY 481 Ca 0.14 1.54 0.05 0.00 0.00 0.00 0.00 44.72 46.45 2j1k s GLY 481 CO -0.10 2.19 -0.21 1.08 0.00 0.00 0.00 173.10 176.06 2j1k s LEU 482 N -2.45 2.30 -1.64 0.66 1.43 -0.32 -0.87 118.68 117.80 2j1k s LEU 482 Ca 0.57 -0.41 -0.13 0.00 -1.03 0.00 0.00 54.13 53.13 2j1k s LEU 482 Cb -0.45 -1.44 0.11 0.00 0.03 0.00 0.00 46.19 44.44 2j1k s LEU 482 CO 0.60 0.26 0.61 -0.67 0.23 0.00 0.00 176.35 177.38 2j1k n ASP 483 N 2.85 -2.06 0.02 2.29 2.03 -0.13 -4.82 116.55 116.73 2j1k n ASP 483 Ca -0.17 -1.06 -0.01 0.00 0.52 0.00 0.00 54.79 54.07 2j1k n ASP 483 Cb 0.52 -2.62 0.26 0.00 -0.72 0.00 0.00 41.12 38.56 2j1k n ASP 483 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2j1k h SER 484 N -1.55 0.46 -0.07 1.67 0.02 -1.85 -1.25 113.55 110.98 2j1k h SER 484 Ca -0.61 -0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 60.21 2j1k h SER 484 Cb 1.38 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 63.80 2j1k h SER 484 CO 0.75 0.62 -0.01 0.40 -1.14 0.00 0.00 176.83 177.45 2j1k h ILE 485 N 0.44 1.27 -0.42 3.27 2.04 -1.95 0.15 117.51 122.31 2j1k h ILE 485 Ca 0.08 -0.86 -0.11 0.00 1.00 0.00 0.00 64.86 64.97 2j1k h ILE 485 Cb 0.49 1.72 -0.02 0.00 -0.74 0.00 0.00 36.82 38.28 2j1k h ILE 485 CO 0.03 0.24 -0.18 0.00 0.00 0.00 0.00 178.15 178.23 2j1k h ALA 486 N 0.69 0.89 -0.03 1.87 0.00 -1.88 -2.62 119.26 118.18 2j1k h ALA 486 Ca 0.02 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2j1k h ALA 486 Cb 0.38 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2j1k h ALA 486 CO 0.01 0.63 0.00 1.33 0.00 0.00 0.00 179.25 181.21 2j1k n VAL 487 N -4.13 0.02 -3.88 0.00 0.24 -0.49 -4.94 118.33 105.14 2j1k n VAL 487 Ca 0.01 -0.24 -0.26 0.00 -2.04 0.00 0.00 64.34 61.80 2j1k n VAL 487 Cb 0.41 0.43 0.01 0.00 -1.47 0.00 0.00 33.84 33.22 2j1k n VAL 487 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2j1k n ASP 488 N 0.12 -1.83 -2.65 -1.34 2.03 0.07 -2.50 116.55 110.45 2j1k n ASP 488 Ca 0.19 -0.89 -0.21 0.00 0.52 0.00 0.00 54.79 54.39 2j1k n ASP 488 Cb 0.34 -3.56 0.01 0.00 -0.72 0.00 0.00 41.12 37.19 2j1k n ASP 488 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2j1k n GLY 489 N -1.72 -0.51 3.68 0.27 0.00 0.30 -4.91 105.19 102.30 2j1k n GLY 489 Ca -0.20 0.05 -0.45 0.00 0.00 0.00 0.00 46.02 45.43 2j1k n GLY 489 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2j1k n ALA 490 N -2.64 1.66 -0.16 4.61 0.00 -1.04 -4.86 120.51 118.08 2j1k n ALA 490 Ca -0.19 0.37 0.20 0.00 0.00 0.00 0.00 53.44 53.82 2j1k n ALA 490 Cb 0.66 -2.47 0.59 0.00 0.00 0.00 0.00 19.45 18.23 2j1k n ALA 490 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2j1k h PRO 491 N 7.48 0.23 -0.87 0.00 0.11 -1.93 -0.92 132.00 136.10 2j1k h PRO 491 Ca -0.46 -0.01 -0.16 0.00 0.11 0.00 0.00 66.00 65.48 2j1k h PRO 491 Cb 1.24 -0.05 -0.09 0.00 0.11 0.00 0.00 31.00 32.21 2j1k h PRO 491 CO 0.93 0.15 0.20 -1.13 -0.21 0.00 0.00 178.00 177.94 2j1k n SER 492 N -4.42 3.69 -0.42 -2.05 3.41 -1.26 -3.60 113.62 108.97 2j1k n SER 492 Ca 0.16 -2.78 0.09 0.00 -0.26 0.00 0.00 58.87 56.08 2j1k n SER 492 Cb 0.69 -0.66 0.19 0.00 -0.26 0.00 0.00 64.21 64.17 2j1k n SER 492 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2j1k n ARG 493 N -0.06 1.90 -4.30 4.33 5.12 -0.35 -1.99 116.66 121.31 2j1k n ARG 493 Ca 0.27 -2.72 -0.33 0.00 -1.93 0.00 0.00 57.85 53.14 2j1k n ARG 493 Cb 1.03 -1.64 -0.09 0.00 -1.16 0.00 0.00 32.46 30.60 2j1k n ARG 493 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 2j1k s SER 494 N -2.54 5.17 0.00 0.55 0.01 -1.24 -1.17 113.70 114.48 2j1k s SER 494 Ca 0.36 0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.66 2j1k s SER 494 Cb 0.31 -1.38 0.00 0.00 0.21 0.00 0.00 66.02 65.16 2j1k s SER 494 CO 0.05 0.30 0.00 2.30 0.41 0.00 0.00 173.24 176.30 2j1k n ILE 495 N 1.56 0.00 -4.50 1.44 -5.35 -0.09 -4.37 119.36 108.04 2j1k n ILE 495 Ca -0.15 0.00 -0.30 0.00 -0.27 0.00 0.00 62.75 62.03 2j1k n ILE 495 Cb 0.53 -0.49 -0.12 0.00 -1.74 0.00 0.00 39.64 37.81 2j1k n ILE 495 CO 0.00 0.00 0.00 -1.81 -1.76 0.00 0.00 176.55 172.98 2j1k s ASP 496 N -0.71 3.72 -0.15 7.28 1.01 -0.43 -0.26 116.67 127.13 2j1k s ASP 496 Ca 0.00 -0.54 0.02 0.00 0.71 0.00 0.00 52.55 52.74 2j1k s ASP 496 Cb 0.00 -0.51 0.01 0.00 1.01 0.00 0.00 42.92 43.44 2j1k s ASP 496 CO 0.00 0.21 -0.20 0.00 0.21 0.00 0.00 175.17 175.40 2j1k s MET 498 N 1.03 3.83 -0.13 0.00 1.75 0.96 -0.86 119.30 125.88 2j1k s MET 498 Ca -0.03 -0.39 -0.28 0.00 -1.25 0.00 0.00 55.69 53.75 2j1k s MET 498 Cb -0.14 -3.39 -0.01 0.00 2.84 0.00 0.00 34.83 34.12 2j1k s MET 498 CO -0.06 -0.06 0.92 -1.17 -0.65 0.00 0.00 175.02 174.01 2j1k s LEU 499 N 1.31 4.22 -0.16 4.11 2.96 -0.21 -0.11 118.68 130.79 2j1k s LEU 499 Ca 0.06 1.37 -0.05 0.00 -0.22 0.00 0.00 54.13 55.29 2j1k s LEU 499 Cb -0.15 -3.41 -0.03 0.00 0.50 0.00 0.00 46.19 43.11 2j1k s LEU 499 CO 0.05 -0.42 -0.00 -0.63 -1.32 0.00 0.00 176.35 174.02 2j1k s ILE 500 N 2.05 4.18 -0.27 6.68 1.01 0.54 -1.47 121.20 133.91 2j1k s ILE 500 Ca 0.44 -0.25 -0.06 0.00 0.00 0.00 0.00 60.65 60.77 2j1k s ILE 500 Cb -0.17 -2.85 0.00 0.00 0.01 0.00 0.00 42.46 39.44 2j1k s ILE 500 CO 0.15 0.48 0.05 -0.63 0.00 0.00 0.00 174.94 175.00 2j1k s ILE 501 N 0.37 3.89 -1.27 2.92 1.01 0.99 -0.99 121.20 128.12 2j1k s ILE 501 Ca -0.02 -0.59 0.00 0.00 0.00 0.00 0.00 60.65 60.05 2j1k s ILE 501 Cb -0.14 -2.94 0.00 0.00 0.01 0.00 0.00 42.46 39.40 2j1k s ILE 501 CO 0.02 0.18 0.00 0.59 0.00 0.00 0.00 174.94 175.73 2j1k n ASN 502 N 4.86 -4.48 -4.68 3.58 3.02 0.29 -2.05 115.26 115.81 2j1k n ASN 502 Ca -0.15 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 53.98 2j1k n ASN 502 Cb 0.49 -3.61 -0.03 0.00 -0.61 0.00 0.00 39.78 36.02 2j1k n ASN 502 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2j1k s LYS 503 N -4.66 4.20 0.42 3.52 2.20 -1.26 -4.43 119.74 119.73 2j1k s LYS 503 Ca 0.00 2.28 -0.26 0.00 -0.36 0.00 0.00 55.97 57.63 2j1k s LYS 503 Cb 0.00 -3.72 -0.10 0.00 -1.51 0.00 0.00 37.83 32.50 2j1k s LYS 503 CO 0.00 -0.76 1.42 -2.30 -0.36 0.00 0.00 175.35 173.35 2j1k n PRO 504 N 6.06 2.33 -3.65 4.03 -0.02 -1.26 -4.72 135.00 137.77 2j1k n PRO 504 Ca 0.16 0.82 -0.05 0.00 -2.02 0.00 0.00 63.50 62.42 2j1k n PRO 504 Cb 0.41 -2.60 -0.07 0.00 -0.02 0.00 0.00 33.50 31.23 2j1k n PRO 504 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2j1k s LYS 505 N -2.29 0.46 5.50 -0.52 2.47 -1.26 -5.10 119.74 118.99 2j1k s LYS 505 Ca 0.59 1.26 0.00 0.00 -1.56 0.00 0.00 55.97 56.25 2j1k s LYS 505 Cb -0.47 0.62 0.00 0.00 -1.46 0.00 0.00 37.83 36.52 2j1k s LYS 505 CO 0.60 -0.22 0.00 0.41 0.16 0.00 0.00 175.35 176.29 2j1k n GLY 506 N 5.42 3.49 0.31 5.54 0.00 -1.26 -2.20 105.19 116.49 2j1k n GLY 506 Ca -0.10 0.08 0.07 0.00 0.00 0.00 0.00 46.02 46.06 2j1k n GLY 506 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2j1k n VAL 507 N 0.00 1.67 -1.67 1.61 0.24 -1.26 -5.03 118.33 113.89 2j1k n VAL 507 Ca 0.00 -1.73 -0.41 0.00 -2.04 0.00 0.00 64.34 60.16 2j1k n VAL 507 Cb 0.00 0.02 0.01 0.00 -1.47 0.00 0.00 33.84 32.40 2j1k n VAL 507 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2j1k n ALA 508 N -0.77 0.87 0.02 2.33 0.00 -0.94 -4.94 120.51 117.08 2j1k n ALA 508 Ca 0.13 0.26 -0.17 0.00 0.00 0.00 0.00 53.44 53.66 2j1k n ALA 508 Cb 0.58 -2.20 -0.14 0.00 0.00 0.00 0.00 19.45 17.69 2j1k n ALA 508 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2j1k h THR 509 N 1.92 0.82 -4.04 0.00 2.02 -1.50 -3.44 112.91 108.69 2j1k h THR 509 Ca -0.46 -2.55 -0.46 0.00 0.77 0.00 0.00 66.41 63.71 2j1k h THR 509 Cb 1.31 2.56 -0.24 0.00 -1.74 0.00 0.00 68.15 70.04 2j1k h THR 509 CO 0.59 0.78 -0.80 -0.31 0.37 0.00 0.00 175.52 176.15 2j1k s TYR 510 N -2.58 1.31 0.01 3.16 2.02 -0.83 -4.99 117.35 115.44 2j1k s TYR 510 Ca -0.14 -0.37 0.01 0.00 -0.37 0.00 0.00 57.07 56.19 2j1k s TYR 510 Cb 0.07 -0.77 -0.01 0.00 -0.40 0.00 0.00 41.96 40.85 2j1k s TYR 510 CO 0.81 0.05 -0.03 0.95 -1.57 0.00 0.00 175.55 175.76 2j1k s THR 511 N -0.91 0.19 -0.12 -0.71 -4.23 -1.26 -1.07 115.64 107.53 2j1k s THR 511 Ca 0.02 -0.51 0.01 0.00 -1.18 0.00 0.00 61.69 60.04 2j1k s THR 511 Cb -0.08 -0.24 0.02 0.00 1.34 0.00 0.00 72.50 73.53 2j1k s THR 511 CO 0.02 -0.21 -0.15 -0.76 -0.54 0.00 0.00 174.62 172.98 2j1k s LEU 512 N -0.75 1.74 -0.17 4.79 1.43 -0.78 -0.55 118.68 124.40 2j1k s LEU 512 Ca -0.07 -0.45 -0.01 0.00 -1.03 0.00 0.00 54.13 52.57 2j1k s LEU 512 Cb -0.05 -1.14 -0.00 0.00 0.03 0.00 0.00 46.19 45.03 2j1k s LEU 512 CO -0.00 0.00 -0.13 -0.89 0.23 0.00 0.00 176.35 175.57 2j1k s THR 513 N 1.09 2.86 -0.40 5.49 2.01 -0.16 -0.57 115.64 125.97 2j1k s THR 513 Ca -0.04 -0.70 -0.18 0.00 0.31 0.00 0.00 61.69 61.09 2j1k s THR 513 Cb -0.14 -2.23 0.01 0.00 0.01 0.00 0.00 72.50 70.15 2j1k s THR 513 CO -0.04 0.50 0.48 -0.36 -0.69 0.00 0.00 174.62 174.51 2j1k s PHE 514 N 0.94 3.16 -0.22 4.92 0.08 -0.50 -0.34 117.98 126.01 2j1k s PHE 514 Ca -0.02 -0.14 -0.05 0.00 0.12 0.00 0.00 56.93 56.84 2j1k s PHE 514 Cb -0.15 -2.95 -0.01 0.00 -0.57 0.00 0.00 43.02 39.34 2j1k s PHE 514 CO -0.01 -0.65 -0.02 0.50 -0.10 0.00 0.00 175.22 174.94 2j1k s ARG 515 N 2.30 3.46 -0.21 0.44 3.52 0.84 -0.31 118.95 128.99 2j1k s ARG 515 Ca 0.15 -0.58 -0.13 0.00 -0.13 0.00 0.00 55.73 55.04 2j1k s ARG 515 Cb -0.16 -3.07 -0.04 0.00 -1.56 0.00 0.00 34.95 30.12 2j1k s ARG 515 CO 0.14 -0.16 0.28 -0.06 -0.81 0.00 0.00 175.30 174.69 2j1k s PHE 516 N 1.42 3.36 0.05 5.12 0.08 -0.35 -0.03 117.98 127.63 2j1k s PHE 516 Ca 0.05 0.44 -0.00 0.00 0.12 0.00 0.00 56.93 57.53 2j1k s PHE 516 Cb -0.14 -2.39 -0.04 0.00 -0.57 0.00 0.00 43.02 39.88 2j1k s PHE 516 CO -0.01 0.05 -0.04 -0.51 -0.10 0.00 0.00 175.22 174.62 2j1k s LEU 517 N 1.10 2.45 -1.25 -0.37 1.43 -0.29 -2.40 118.68 119.35 2j1k s LEU 517 Ca 0.13 -0.92 -0.01 0.00 -1.03 0.00 0.00 54.13 52.30 2j1k s LEU 517 Cb -0.14 0.15 0.00 0.00 0.03 0.00 0.00 46.19 46.23 2j1k s LEU 517 CO 0.06 -0.53 0.91 0.59 0.23 0.00 0.00 176.35 177.61 2j1k n ASN 518 N 0.33 -2.04 0.27 2.29 3.02 -1.26 -1.31 115.26 116.56 2j1k n ASN 518 Ca -0.15 -0.68 0.14 0.00 -0.03 0.00 0.00 54.58 53.86 2j1k n ASN 518 Cb 0.60 -4.75 0.76 0.00 -0.61 0.00 0.00 39.78 35.78 2j1k n ASN 518 CO 0.00 0.00 0.00 -0.26 -2.62 0.00 0.00 177.26 174.38 2j1k h PHE 519 N -1.94 0.00 0.00 3.10 0.04 -1.84 -2.65 116.94 113.66 2j1k h PHE 519 Ca -0.60 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.17 2j1k h PHE 519 Cb 1.35 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.50 2j1k h PHE 519 CO 0.45 0.10 0.00 0.27 -0.60 0.00 0.00 178.31 178.53 2j1k n ASN 520 N -3.50 0.00 0.26 2.17 6.94 -1.10 -0.83 115.26 119.20 2j1k n ASN 520 Ca -0.02 0.30 0.16 0.00 -0.02 0.00 0.00 54.58 55.01 2j1k n ASN 520 Cb 0.24 -0.37 0.61 0.00 -2.36 0.00 0.00 39.78 37.89 2j1k n ASN 520 CO 0.00 0.00 0.00 0.03 -1.03 0.00 0.00 177.26 176.26 2j1k h ARG 521 N 0.00 0.00 -6.86 -3.83 3.08 -1.76 -3.45 114.38 101.56 2j1k h ARG 521 Ca 0.00 0.00 -0.51 0.00 0.07 0.00 0.00 59.98 59.54 2j1k h ARG 521 Cb 0.10 0.00 0.04 0.00 0.08 0.00 0.00 29.97 30.19 2j1k h ARG 521 CO 0.00 0.04 0.52 -0.51 -1.07 0.00 0.00 179.97 178.95 2j1k s LEU 522 N -6.28 4.44 0.44 3.04 1.43 -0.01 -4.65 118.68 117.09 2j1k s LEU 522 Ca 0.01 2.39 0.23 0.00 -1.03 0.00 0.00 54.13 55.74 2j1k s LEU 522 Cb 0.09 -3.72 0.43 0.00 0.03 0.00 0.00 46.19 43.02 2j1k s LEU 522 CO 0.57 -0.35 1.64 0.77 0.23 0.00 0.00 176.35 179.20 2j1k h SER 523 N 3.45 0.00 -0.15 2.29 4.64 -1.72 -3.43 113.55 118.63 2j1k h SER 523 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 2j1k h SER 523 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 2j1k h SER 523 CO 0.66 0.05 0.00 0.61 -0.87 0.00 0.00 176.83 177.27 2j1k n GLY 524 N 0.99 0.81 3.64 -0.77 0.00 -1.26 -5.01 105.19 103.58 2j1k n GLY 524 Ca 0.03 -0.79 -0.48 0.00 0.00 0.00 0.00 46.02 44.78 2j1k n GLY 524 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2j1k n GLY 525 N 0.00 0.86 2.87 -0.02 0.00 -1.26 -4.44 105.19 103.20 2j1k n GLY 525 Ca 0.00 0.65 -0.15 0.00 0.00 0.00 0.00 46.02 46.52 2j1k n GLY 525 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2j1k s THR 526 N 0.64 0.15 0.13 2.61 2.01 -0.09 -4.97 115.64 116.12 2j1k s THR 526 Ca 0.79 -0.02 -0.31 0.00 0.31 0.00 0.00 61.69 62.46 2j1k s THR 526 Cb -0.76 -0.18 -0.11 0.00 0.01 0.00 0.00 72.50 71.46 2j1k s THR 526 CO 0.42 0.08 1.83 -0.11 -0.69 0.00 0.00 174.62 176.15 2j1k n LEU 527 N 3.41 4.04 -3.56 4.42 7.94 -1.26 -0.91 117.00 131.09 2j1k n LEU 527 Ca -0.18 0.99 -0.41 0.00 -1.11 0.00 0.00 56.01 55.31 2j1k n LEU 527 Cb 0.56 -1.55 -0.01 0.00 0.53 0.00 0.00 43.42 42.95 2j1k n LEU 527 CO 0.25 0.18 2.87 0.33 -1.11 0.00 0.00 177.39 179.90 2j1k n PHE 528 N 5.50 2.95 -3.97 1.96 7.35 -0.03 -3.78 117.46 127.44 2j1k n PHE 528 Ca 0.18 -2.99 -0.30 0.00 -0.76 0.00 0.00 57.45 53.58 2j1k n PHE 528 Cb 0.37 -2.40 -0.14 0.00 0.35 0.00 0.00 39.48 37.66 2j1k n PHE 528 CO 0.00 0.00 0.00 0.21 -0.76 0.00 0.00 176.76 176.21 2j1k s LYS 529 N 2.08 1.86 0.72 -4.13 2.20 -1.26 -0.69 119.74 120.52 2j1k s LYS 529 Ca 0.56 -2.45 -0.11 0.00 -0.36 0.00 0.00 55.97 53.62 2j1k s LYS 529 Cb 0.16 -3.30 0.02 0.00 -1.51 0.00 0.00 37.83 33.20 2j1k s LYS 529 CO -0.07 -1.07 1.07 0.95 -0.36 0.00 0.00 175.35 175.87 2j1k s THR 530 N -0.00 3.79 1.03 3.43 -4.23 0.26 -0.95 115.64 118.95 2j1k s THR 530 Ca 0.16 0.58 -0.12 0.00 -1.18 0.00 0.00 61.69 61.13 2j1k s THR 530 Cb -0.24 -3.28 0.21 0.00 1.34 0.00 0.00 72.50 70.52 2j1k s THR 530 CO -0.02 -0.76 1.08 -1.81 -0.54 0.00 0.00 174.62 172.57 2j1k s ASP 531 N -3.74 2.18 -0.13 3.99 1.11 -0.05 -4.56 116.67 115.47 2j1k s ASP 531 Ca 0.59 1.64 -0.29 0.00 0.18 0.00 0.00 52.55 54.66 2j1k s ASP 531 Cb -0.15 -2.30 -0.02 0.00 1.07 0.00 0.00 42.92 41.53 2j1k s ASP 531 CO 0.55 -3.47 1.22 -0.69 1.18 0.00 0.00 175.17 173.96 2j1k s VAL 532 N -2.67 4.32 -0.09 -1.27 1.01 -1.26 -4.48 120.40 115.96 2j1k s VAL 532 Ca 0.66 1.61 -0.00 0.00 0.00 0.00 0.00 61.98 64.25 2j1k s VAL 532 Cb -0.22 -4.04 -0.03 0.00 0.00 0.00 0.00 36.38 32.09 2j1k s VAL 532 CO 0.61 -0.09 -0.06 -0.76 0.00 0.00 0.00 175.10 174.80 2j1k s LEU 533 N 3.04 3.23 -0.02 3.92 1.43 0.12 -4.95 118.68 125.44 2j1k s LEU 533 Ca 0.54 -0.03 0.06 0.00 -1.03 0.00 0.00 54.13 53.67 2j1k s LEU 533 Cb -0.22 -1.72 -0.01 0.00 0.03 0.00 0.00 46.19 44.27 2j1k s LEU 533 CO 0.16 0.33 -0.20 -0.89 0.23 0.00 0.00 176.35 175.98 2j1k s THR 534 N -0.58 1.57 0.09 5.49 2.01 -1.26 -0.93 115.64 122.03 2j1k s THR 534 Ca 0.09 -0.83 -0.00 0.00 0.31 0.00 0.00 61.69 61.26 2j1k s THR 534 Cb -0.12 -1.31 -0.04 0.00 0.01 0.00 0.00 72.50 71.04 2j1k s THR 534 CO 0.02 0.44 -0.02 -0.36 -0.69 0.00 0.00 174.62 174.02 2j1k s PHE 535 N -0.34 0.75 0.02 4.92 0.08 -0.18 -4.98 117.98 118.25 2j1k s PHE 535 Ca 0.04 -1.06 0.01 0.00 0.12 0.00 0.00 56.93 56.04 2j1k s PHE 535 Cb -0.09 -0.47 -0.01 0.00 -0.57 0.00 0.00 43.02 41.88 2j1k s PHE 535 CO 0.00 -0.34 -0.04 0.99 -0.10 0.00 0.00 175.22 175.74 2j1k s THR 536 N -3.85 0.24 0.13 0.64 2.01 -1.26 -0.43 115.64 113.12 2j1k s THR 536 Ca 0.13 -0.57 -0.16 0.00 0.31 0.00 0.00 61.69 61.41 2j1k s THR 536 Cb 0.07 -0.29 0.03 0.00 0.01 0.00 0.00 72.50 72.32 2j1k s THR 536 CO -0.05 -0.22 0.39 -0.72 -0.69 0.00 0.00 174.62 173.34 2j1k s TYR 537 N -0.79 -0.16 0.10 4.92 -0.85 -0.83 -5.01 117.35 114.73 2j1k s TYR 537 Ca -0.07 -0.17 -0.30 0.00 -0.52 0.00 0.00 57.07 56.01 2j1k s TYR 537 Cb -0.06 0.24 -0.06 0.00 0.38 0.00 0.00 41.96 42.46 2j1k s TYR 537 CO -0.00 -0.71 1.20 0.08 -1.52 0.00 0.00 175.55 174.60 2j1k s VAL 538 N -3.82 3.87 0.57 -3.49 1.01 -1.26 -0.65 120.40 116.63 2j1k s VAL 538 Ca 0.04 1.41 -0.13 0.00 0.00 0.00 0.00 61.98 63.30 2j1k s VAL 538 Cb 0.02 -3.90 -0.06 0.00 0.00 0.00 0.00 36.38 32.44 2j1k s VAL 538 CO -0.11 0.15 1.01 -0.83 0.00 0.00 0.00 175.10 175.32 2j1k s GLY 539 N 0.75 1.84 0.59 4.51 0.00 0.16 -1.23 107.32 113.93 2j1k s GLY 539 Ca 0.57 0.03 -0.17 0.00 0.00 0.00 0.00 44.72 45.14 2j1k s GLY 539 CO 0.31 0.30 1.10 1.85 0.00 0.00 0.00 173.10 176.67 2j1k s GLU 540 N -4.67 3.19 0.19 2.90 2.56 0.74 -4.23 118.70 119.38 2j1k s GLU 540 Ca 0.57 1.45 -0.21 0.00 0.00 0.00 0.00 54.97 56.78 2j1k s GLU 540 Cb -0.10 -2.00 -0.08 0.00 2.00 0.00 0.00 34.13 33.95 2j1k s GLU 540 CO 0.44 -0.95 0.73 -0.80 -0.56 0.00 0.00 175.26 174.11 2j1k s ASN 541 N -2.22 7.16 0.00 -1.70 0.01 -1.26 -4.49 114.94 112.44 2j1k s ASN 541 Ca 0.69 1.47 0.00 0.00 -0.71 0.00 0.00 52.86 54.31 2j1k s ASN 541 Cb -0.21 -2.44 0.00 0.00 0.41 0.00 0.00 41.25 39.01 2j1k s ASN 541 CO 0.33 0.11 0.27 1.67 -1.51 0.00 0.00 177.10 177.97