#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 2.57 -0.25 0.00 0.04 -1.26 -4.93 135.00 131.17 2j1k s PRO 362 Ca 0.00 1.14 -0.20 0.00 0.04 0.00 0.00 61.00 61.98 2j1k s PRO 362 Cb 0.00 -1.94 0.07 0.00 0.04 0.00 0.00 34.50 32.67 2j1k s PRO 362 CO 0.00 -1.40 0.64 -1.50 0.04 0.00 0.00 177.00 174.78 2j1k s ILE 363 N -2.84 -0.00 -0.09 0.56 -1.16 -0.38 -5.00 121.20 112.29 2j1k s ILE 363 Ca 0.61 0.01 0.04 0.00 -0.51 0.00 0.00 60.65 60.80 2j1k s ILE 363 Cb -0.17 -0.91 -0.00 0.00 0.61 0.00 0.00 42.46 42.00 2j1k s ILE 363 CO 0.53 0.00 -0.24 -0.89 -2.81 0.00 0.00 174.94 171.53 2j1k s THR 364 N 0.69 2.01 -0.07 4.00 2.01 -1.26 0.15 115.64 123.17 2j1k s THR 364 Ca -0.03 -1.00 0.02 0.00 0.31 0.00 0.00 61.69 60.99 2j1k s THR 364 Cb -0.05 -1.73 -0.02 0.00 0.01 0.00 0.00 72.50 70.71 2j1k s THR 364 CO -0.04 0.55 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.54 2j1k s LEU 365 N 0.24 2.76 0.30 4.42 1.43 0.21 -1.04 118.68 127.00 2j1k s LEU 365 Ca -0.15 -0.22 -0.19 0.00 -1.03 0.00 0.00 54.13 52.54 2j1k s LEU 365 Cb -0.17 -1.58 0.02 0.00 0.03 0.00 0.00 46.19 44.50 2j1k s LEU 365 CO 0.07 0.30 0.72 -1.66 0.23 0.00 0.00 176.35 176.01 2j1k s TRP 366 N -0.45 -0.09 -1.62 0.29 1.48 0.21 -0.07 118.94 118.70 2j1k s TRP 366 Ca 0.06 -0.41 0.27 0.00 -1.06 0.00 0.00 56.10 54.96 2j1k s TRP 366 Cb -0.12 0.70 0.93 0.00 -1.16 0.00 0.00 33.47 33.81 2j1k s TRP 366 CO 0.02 -1.29 1.67 0.25 -4.06 0.00 0.00 176.95 173.55 2j1k n THR 367 N -0.47 0.00 -0.08 0.66 -2.24 -0.85 -1.56 114.28 109.75 2j1k n THR 367 Ca -0.05 -0.09 0.01 0.00 -2.27 0.00 0.00 64.05 61.66 2j1k n THR 367 Cb 0.59 0.17 -0.00 0.00 -2.10 0.00 0.00 70.33 68.99 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 1.34 -2.02 3.84 3.38 0.00 -1.26 -4.67 105.19 105.79 2j1k n GLY 368 Ca 0.12 -1.48 -0.32 0.00 0.00 0.00 0.00 46.02 44.35 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 -2.13 3.51 -1.08 1.61 0.04 -1.26 -4.04 135.00 131.65 2j1k s PRO 369 Ca 0.00 0.91 -0.07 0.00 0.04 0.00 0.00 61.00 61.88 2j1k s PRO 369 Cb 0.00 -2.07 -0.05 0.00 0.04 0.00 0.00 34.50 32.42 2j1k s PRO 369 CO 0.00 -0.64 0.91 0.41 0.04 0.00 0.00 177.00 177.72 2j1k n GLY 370 N -2.04 -1.04 3.74 0.56 0.00 -1.26 -4.91 105.19 100.24 2j1k n GLY 370 Ca 0.07 0.51 -0.36 0.00 0.00 0.00 0.00 46.02 46.24 2j1k n GLY 370 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2j1k s PRO 371 N -4.70 2.76 0.86 1.61 0.04 -1.26 -5.00 135.00 129.31 2j1k s PRO 371 Ca 0.40 1.94 -0.11 0.00 0.04 0.00 0.00 61.00 63.27 2j1k s PRO 371 Cb -0.06 -1.89 0.11 0.00 0.04 0.00 0.00 34.50 32.69 2j1k s PRO 371 CO 0.75 -1.40 1.09 -1.12 0.04 0.00 0.00 177.00 176.37 2j1k s SER 372 N -1.51 3.79 -0.43 6.66 0.01 -1.26 -4.83 113.70 116.13 2j1k s SER 372 Ca 0.80 1.64 -0.28 0.00 1.31 0.00 0.00 55.95 59.42 2j1k s SER 372 Cb -0.34 -2.31 -0.02 0.00 0.21 0.00 0.00 66.02 63.55 2j1k s SER 372 CO 0.36 -2.46 1.89 -0.63 0.41 0.00 0.00 173.24 172.81 2j1k s ILE 373 N -2.90 3.38 0.00 1.44 1.01 -1.26 -3.87 121.20 118.99 2j1k s ILE 373 Ca 0.63 0.33 0.00 0.00 0.00 0.00 0.00 60.65 61.61 2j1k s ILE 373 Cb -0.18 -3.66 0.00 0.00 0.01 0.00 0.00 42.46 38.63 2j1k s ILE 373 CO 0.57 -0.52 0.44 -0.46 0.00 0.00 0.00 174.94 174.97 2j1k n ASN 374 N 11.63 0.54 -4.36 3.58 0.23 -0.44 -4.84 115.26 121.60 2j1k n ASN 374 Ca 0.24 -1.19 -0.39 0.00 -0.53 0.00 0.00 54.58 52.71 2j1k n ASN 374 Cb 0.49 0.00 -0.12 0.00 -2.08 0.00 0.00 39.78 38.07 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 -0.19 1.88 -0.10 4.83 0.00 0.17 -4.22 107.32 109.69 2j1k s GLY 375 Ca 0.00 -1.64 -0.23 0.00 0.00 0.00 0.00 44.72 42.85 2j1k s GLY 375 CO 0.00 0.78 0.69 -1.36 0.00 0.00 0.00 173.10 173.21 2j1k s PHE 376 N 1.52 3.53 -0.12 1.90 0.08 0.53 -1.41 117.98 124.00 2j1k s PHE 376 Ca 0.02 1.18 0.01 0.00 0.12 0.00 0.00 56.93 58.25 2j1k s PHE 376 Cb -0.19 -2.80 0.02 0.00 -0.57 0.00 0.00 43.02 39.48 2j1k s PHE 376 CO 0.05 0.03 -0.13 0.42 -0.10 0.00 0.00 175.22 175.49 2j1k s ILE 377 N 1.06 1.39 -1.38 0.64 1.01 -0.82 -4.77 121.20 118.33 2j1k s ILE 377 Ca 0.35 -0.54 -0.05 0.00 0.00 0.00 0.00 60.65 60.41 2j1k s ILE 377 Cb -0.17 -1.31 0.03 0.00 0.01 0.00 0.00 42.46 41.02 2j1k s ILE 377 CO 0.16 0.42 0.84 0.59 0.00 0.00 0.00 174.94 176.95 2j1k n ASN 378 N 4.59 -2.73 -0.94 3.58 3.02 -1.26 -2.58 115.26 118.94 2j1k n ASN 378 Ca -0.17 -0.78 -0.12 0.00 -0.03 0.00 0.00 54.58 53.48 2j1k n ASN 378 Cb 0.50 -4.11 -0.05 0.00 -0.61 0.00 0.00 39.78 35.51 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 -2.99 -5.00 -4.07 6.41 8.00 -1.26 -4.99 116.55 112.65 2j1k n ASP 379 Ca -0.17 0.30 -0.25 0.00 0.71 0.00 0.00 54.79 55.38 2j1k n ASP 379 Cb 0.62 -3.58 -0.16 0.00 -0.02 0.00 0.00 41.12 37.97 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 -2.28 1.27 -0.39 -3.53 2.01 -1.07 -5.10 115.64 106.55 2j1k s THR 380 Ca 0.00 -0.58 -0.29 0.00 0.31 0.00 0.00 61.69 61.13 2j1k s THR 380 Cb 0.00 -1.13 0.01 0.00 0.01 0.00 0.00 72.50 71.39 2j1k s THR 380 CO 0.00 0.38 1.41 -2.16 -0.69 0.00 0.00 174.62 173.56 2j1k s PRO 381 N 0.41 3.62 0.00 4.92 0.04 -1.26 -1.95 135.00 140.78 2j1k s PRO 381 Ca -0.11 1.01 0.00 0.00 0.04 0.00 0.00 61.00 61.94 2j1k s PRO 381 Cb -0.14 -4.01 0.00 0.00 0.04 0.00 0.00 34.50 30.39 2j1k s PRO 381 CO 0.03 -1.50 0.00 1.33 0.04 0.00 0.00 177.00 176.90 2j1k n VAL 382 N 6.94 0.00 -4.65 -0.36 0.24 -0.50 -4.90 118.33 115.10 2j1k n VAL 382 Ca 0.16 -0.21 -0.33 0.00 -2.04 0.00 0.00 64.34 61.93 2j1k n VAL 382 Cb 0.48 0.81 -0.13 0.00 -1.47 0.00 0.00 33.84 33.53 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 -0.70 3.39 -0.51 1.34 -1.09 -0.74 -0.31 121.20 122.57 2j1k s ILE 383 Ca 0.00 -0.55 -0.18 0.00 -2.23 0.00 0.00 60.65 57.69 2j1k s ILE 383 Cb 0.00 -2.44 0.08 0.00 -1.58 0.00 0.00 42.46 38.52 2j1k s ILE 383 CO 0.00 0.52 0.56 -0.60 -1.23 0.00 0.00 174.94 174.20 2j1k s ARG 384 N 0.18 3.05 -0.27 2.79 3.52 0.16 0.42 118.95 128.80 2j1k s ARG 384 Ca -0.05 -1.17 -0.09 0.00 -0.13 0.00 0.00 55.73 54.28 2j1k s ARG 384 Cb -0.15 -4.16 -0.03 0.00 -1.56 0.00 0.00 34.95 29.06 2j1k s ARG 384 CO 0.04 -1.23 0.12 0.00 -0.81 0.00 0.00 175.30 173.42 2j1k s PHE 386 N 1.66 3.30 -0.03 0.00 5.36 0.37 -4.76 117.98 123.89 2j1k s PHE 386 Ca 0.06 0.77 0.01 0.00 -0.96 0.00 0.00 56.93 56.81 2j1k s PHE 386 Cb -0.16 -2.77 0.02 0.00 -0.34 0.00 0.00 43.02 39.77 2j1k s PHE 386 CO 0.06 -0.26 -0.03 0.42 -1.46 0.00 0.00 175.22 173.95 2j1k s ILE 387 N 2.23 0.39 -0.06 3.12 1.01 -1.26 -0.53 121.20 126.09 2j1k s ILE 387 Ca 0.25 -0.09 -0.01 0.00 0.00 0.00 0.00 60.65 60.79 2j1k s ILE 387 Cb -0.16 -0.40 0.03 0.00 0.01 0.00 0.00 42.46 41.94 2j1k s ILE 387 CO 0.09 0.16 0.01 0.00 0.00 0.00 0.00 174.94 175.21 2j1k s LEU 389 N 2.00 4.56 -0.26 0.00 1.43 0.90 -0.81 118.68 126.50 2j1k s LEU 389 Ca 0.05 -1.11 -0.03 0.00 -1.03 0.00 0.00 54.13 52.01 2j1k s LEU 389 Cb -0.12 -1.94 0.02 0.00 0.03 0.00 0.00 46.19 44.18 2j1k s LEU 389 CO -0.05 -0.37 -0.02 -0.89 0.23 0.00 0.00 176.35 175.25 2j1k s THR 390 N 1.47 3.18 -0.26 5.49 2.01 -0.45 -0.62 115.64 126.46 2j1k s THR 390 Ca 0.00 -0.94 -0.15 0.00 0.31 0.00 0.00 61.69 60.90 2j1k s THR 390 Cb -0.20 -2.63 -0.04 0.00 0.01 0.00 0.00 72.50 69.65 2j1k s THR 390 CO 0.04 0.16 0.40 -0.60 -0.69 0.00 0.00 174.62 173.93 2j1k s ARG 391 N 1.37 4.05 0.00 4.92 6.06 0.12 -1.27 118.95 134.20 2j1k s ARG 391 Ca 0.01 0.11 0.00 0.00 -2.50 0.00 0.00 55.73 53.35 2j1k s ARG 391 Cb -0.17 -3.64 0.00 0.00 0.06 0.00 0.00 34.95 31.20 2j1k s ARG 391 CO -0.02 -0.25 0.00 -0.25 -2.50 0.00 0.00 175.30 172.27 2j1k n ASP 392 N 5.24 0.00 -0.11 -2.12 8.00 -0.92 -1.25 116.55 125.38 2j1k n ASP 392 Ca -0.08 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.29 2j1k n ASP 392 Cb 0.51 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.58 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 0.95 0.00 -2.24 4.64 -1.97 -3.42 113.55 111.52 2j1k h SER 393 Ca 0.00 -0.47 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 2j1k h SER 393 Cb 0.00 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 61.82 2j1k h SER 393 CO 0.00 1.22 -0.13 -3.20 -0.87 0.00 0.00 176.83 173.85 2j1k n ASN 394 N -4.11 0.48 -4.93 4.97 5.15 -1.26 -5.03 115.26 110.53 2j1k n ASN 394 Ca -0.03 0.00 -0.28 0.00 -0.60 0.00 0.00 54.58 53.67 2j1k n ASN 394 Cb 0.53 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.74 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 -3.44 4.29 -0.18 1.20 1.43 -1.26 -1.04 118.68 119.68 2j1k s LEU 395 Ca 0.00 0.34 -0.06 0.00 -1.03 0.00 0.00 54.13 53.38 2j1k s LEU 395 Cb 0.00 -3.08 -0.03 0.00 0.03 0.00 0.00 46.19 43.11 2j1k s LEU 395 CO 0.00 0.03 0.02 -0.69 0.23 0.00 0.00 176.35 175.94 2j1k s VAL 396 N -1.74 4.27 -0.21 -1.59 1.01 0.74 -2.18 120.40 120.71 2j1k s VAL 396 Ca 0.37 -0.21 -0.12 0.00 0.00 0.00 0.00 61.98 62.01 2j1k s VAL 396 Cb -0.12 -2.91 -0.05 0.00 0.00 0.00 0.00 36.38 33.30 2j1k s VAL 396 CO 0.28 0.45 0.24 -0.89 0.00 0.00 0.00 175.10 175.18 2j1k s THR 397 N 0.60 5.32 -0.25 3.92 2.01 -0.40 -1.42 115.64 125.42 2j1k s THR 397 Ca 0.00 0.38 -0.17 0.00 0.31 0.00 0.00 61.69 62.21 2j1k s THR 397 Cb -0.14 -3.58 -0.03 0.00 0.01 0.00 0.00 72.50 68.77 2j1k s THR 397 CO 0.02 0.35 0.49 -0.69 -0.69 0.00 0.00 174.62 174.10 2j1k s VAL 398 N 0.88 5.10 -0.11 3.82 1.01 0.24 -1.34 120.40 129.99 2j1k s VAL 398 Ca 0.12 0.84 0.03 0.00 0.00 0.00 0.00 61.98 62.97 2j1k s VAL 398 Cb -0.13 -3.81 0.01 0.00 0.00 0.00 0.00 36.38 32.45 2j1k s VAL 398 CO 0.04 0.12 -0.21 0.21 0.00 0.00 0.00 175.10 175.26 2j1k s ASN 399 N 1.45 2.90 0.09 3.32 3.84 0.01 -1.07 114.94 125.47 2j1k s ASN 399 Ca 0.21 -0.54 -0.23 0.00 0.21 0.00 0.00 52.86 52.51 2j1k s ASN 399 Cb -0.16 -1.33 0.06 0.00 -0.55 0.00 0.00 41.25 39.27 2j1k s ASN 399 CO 0.09 0.10 0.55 0.00 -2.79 0.00 0.00 177.10 175.05 2j1k s ALA 400 N 0.62 -1.42 -0.01 1.71 0.00 -0.52 -0.06 121.76 122.08 2j1k s ALA 400 Ca -0.13 0.55 -0.28 0.00 0.00 0.00 0.00 51.96 52.11 2j1k s ALA 400 Cb -0.17 0.56 0.06 0.00 0.00 0.00 0.00 23.12 23.58 2j1k s ALA 400 CO 0.03 -0.60 0.62 -1.54 0.00 0.00 0.00 175.76 174.27 2j1k s SER 401 N -2.27 -0.58 -0.01 0.00 1.04 0.31 0.25 113.70 112.44 2j1k s SER 401 Ca -0.03 0.51 0.03 0.00 0.48 0.00 0.00 55.95 56.94 2j1k s SER 401 Cb -0.00 0.52 -0.00 0.00 0.10 0.00 0.00 66.02 66.63 2j1k s SER 401 CO -0.06 -0.65 -0.09 -0.36 0.98 0.00 0.00 173.24 173.07 2j1k s PHE 402 N -1.65 0.82 -0.12 5.02 0.08 -1.26 -0.48 117.98 120.39 2j1k s PHE 402 Ca -0.09 -0.17 -0.00 0.00 0.12 0.00 0.00 56.93 56.79 2j1k s PHE 402 Cb -0.01 -0.55 0.03 0.00 -0.57 0.00 0.00 43.02 41.92 2j1k s PHE 402 CO 0.05 -0.04 -0.08 0.08 -0.10 0.00 0.00 175.22 175.14 2j1k s VAL 403 N -0.10 1.08 0.39 -0.44 1.01 -0.07 -1.16 120.40 121.10 2j1k s VAL 403 Ca 0.02 -0.36 -0.24 0.00 0.00 0.00 0.00 61.98 61.40 2j1k s VAL 403 Cb -0.05 -1.11 -0.09 0.00 0.00 0.00 0.00 36.38 35.13 2j1k s VAL 403 CO -0.00 0.35 1.04 -0.83 0.00 0.00 0.00 175.10 175.65 2j1k s GLY 404 N 1.68 2.75 0.18 4.51 0.00 0.19 0.37 107.32 117.00 2j1k s GLY 404 Ca 0.04 0.69 0.03 0.00 0.00 0.00 0.00 44.72 45.49 2j1k s GLY 404 CO -0.08 1.12 -0.04 -0.54 0.00 0.00 0.00 173.10 173.56 2j1k s GLU 405 N -2.42 1.17 7.30 2.90 0.41 0.57 -3.81 118.70 124.83 2j1k s GLU 405 Ca 0.56 -1.55 0.00 0.00 -0.41 0.00 0.00 54.97 53.57 2j1k s GLU 405 Cb -0.22 -0.53 0.00 0.00 -1.78 0.00 0.00 34.13 31.61 2j1k s GLU 405 CO 0.28 -0.04 0.00 0.41 -0.49 0.00 0.00 175.26 175.42 2j1k n GLY 406 N -0.29 3.97 0.28 -1.39 0.00 -1.26 -1.20 105.19 105.30 2j1k n GLY 406 Ca -0.07 0.20 0.17 0.00 0.00 0.00 0.00 46.02 46.32 2j1k n GLY 406 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2j1k h GLY 407 N 0.00 0.00 -2.48 -0.02 0.00 -1.95 -3.04 103.07 95.57 2j1k h GLY 407 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2j1k h GLY 407 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 176.54 174.82 2j1k n TYR 408 N -3.12 1.00 -0.13 5.60 4.01 -0.34 -4.49 117.16 119.69 2j1k n TYR 408 Ca 0.00 -0.54 -0.09 0.00 -0.16 0.00 0.00 57.90 57.12 2j1k n TYR 408 Cb 0.29 -0.07 -0.00 0.00 -0.31 0.00 0.00 39.34 39.24 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 3.74 0.54 -5.61 -0.72 2.43 -1.54 -3.35 114.38 109.87 2j1k h ARG 409 Ca 0.00 -0.06 -0.67 0.00 -0.81 0.00 0.00 59.98 58.44 2j1k h ARG 409 Cb 1.06 -0.11 -0.27 0.00 -0.42 0.00 0.00 29.97 30.24 2j1k h ARG 409 CO 0.06 0.43 -0.79 0.42 -1.51 0.00 0.00 179.97 178.58 2j1k s ILE 410 N -5.90 2.89 0.05 1.20 -1.09 -1.26 -0.66 121.20 116.42 2j1k s ILE 410 Ca -0.13 -0.74 0.04 0.00 -2.23 0.00 0.00 60.65 57.59 2j1k s ILE 410 Cb 0.10 -2.17 -0.04 0.00 -1.58 0.00 0.00 42.46 38.77 2j1k s ILE 410 CO 0.73 0.55 -0.05 0.68 -1.23 0.00 0.00 174.94 175.62 2j1k s VAL 411 N 0.05 3.73 0.26 2.92 -7.23 -0.33 -4.88 120.40 114.93 2j1k s VAL 411 Ca -0.06 -0.93 0.06 0.00 -1.81 0.00 0.00 61.98 59.24 2j1k s VAL 411 Cb -0.15 -2.70 -0.03 0.00 0.56 0.00 0.00 36.38 34.06 2j1k s VAL 411 CO 0.05 0.25 0.30 -0.94 -0.31 0.00 0.00 175.10 174.44 2j1k s SER 412 N -1.87 5.87 0.65 4.85 1.04 -1.26 -1.29 113.70 121.68 2j1k s SER 412 Ca 0.21 -0.14 0.33 0.00 0.48 0.00 0.00 55.95 56.83 2j1k s SER 412 Cb -0.11 -1.53 1.82 0.00 0.10 0.00 0.00 66.02 66.30 2j1k s SER 412 CO 0.12 -0.12 2.07 -0.65 0.98 0.00 0.00 173.24 175.64 2j1k h PRO 413 N 1.28 0.00 -0.00 4.02 0.11 -1.78 0.44 132.00 136.07 2j1k h PRO 413 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2j1k h PRO 413 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2j1k h PRO 413 CO 0.60 0.00 -0.00 0.25 -0.21 0.00 0.00 178.00 178.64 2j1k n THR 414 N -3.19 0.00 -1.70 -1.15 -2.24 -1.26 -2.49 114.28 102.25 2j1k n THR 414 Ca -0.01 -0.01 -0.44 0.00 -2.27 0.00 0.00 64.05 61.32 2j1k n THR 414 Cb 0.31 -0.44 -0.03 0.00 -2.10 0.00 0.00 70.33 68.07 2j1k n THR 414 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 2j1k n GLN 415 N -0.99 2.43 -2.68 -0.78 -0.06 0.14 -4.96 117.38 110.49 2j1k n GLN 415 Ca 0.22 0.87 -0.35 0.00 -2.00 0.00 0.00 57.00 55.75 2j1k n GLN 415 Cb 0.14 -2.65 -0.05 0.00 -4.06 0.00 0.00 30.24 23.63 2j1k n GLN 415 CO 0.00 0.00 0.00 -1.54 -0.20 0.00 0.00 177.06 175.32 2j1k s SER 416 N 0.79 6.78 0.46 1.69 1.04 -1.26 -4.58 113.70 118.61 2j1k s SER 416 Ca 0.73 1.85 -0.23 0.00 0.48 0.00 0.00 55.95 58.78 2j1k s SER 416 Cb -0.58 -2.56 -0.08 0.00 0.10 0.00 0.00 66.02 62.90 2j1k s SER 416 CO 0.41 -0.47 1.14 -1.10 0.98 0.00 0.00 173.24 174.19 2j1k s GLN 417 N -2.91 3.79 0.05 4.02 -0.21 -1.26 -5.01 119.66 118.13 2j1k s GLN 417 Ca 0.61 1.70 -0.11 0.00 0.02 0.00 0.00 55.36 57.58 2j1k s GLN 417 Cb -0.15 -2.38 0.01 0.00 1.00 0.00 0.00 33.01 31.49 2j1k s GLN 417 CO 0.19 -0.51 0.24 -0.59 -2.12 0.00 0.00 175.29 172.51 2j1k s PHE 418 N -1.60 -0.00 -0.08 0.91 -0.12 -0.97 -5.00 117.98 111.12 2j1k s PHE 418 Ca 0.64 -0.22 0.01 0.00 -0.05 0.00 0.00 56.93 57.31 2j1k s PHE 418 Cb -0.27 0.02 -0.02 0.00 -0.63 0.00 0.00 43.02 42.12 2j1k s PHE 418 CO 0.32 -0.48 -0.11 -1.12 -0.05 0.00 0.00 175.22 173.78 2j1k s SER 419 N -2.21 4.26 -0.35 1.98 0.01 -1.26 -0.52 113.70 115.62 2j1k s SER 419 Ca -0.03 -0.17 -0.07 0.00 1.31 0.00 0.00 55.95 56.99 2j1k s SER 419 Cb -0.00 -1.18 0.05 0.00 0.21 0.00 0.00 66.02 65.10 2j1k s SER 419 CO -0.05 0.30 0.12 -0.76 0.41 0.00 0.00 173.24 173.26 2j1k s LEU 420 N -0.44 4.43 -0.22 2.44 1.43 -0.01 -4.95 118.68 121.36 2j1k s LEU 420 Ca 0.06 -1.21 -0.10 0.00 -1.03 0.00 0.00 54.13 51.85 2j1k s LEU 420 Cb -0.12 -1.88 -0.05 0.00 0.03 0.00 0.00 46.19 44.17 2j1k s LEU 420 CO 0.02 -0.35 0.14 -0.63 0.23 0.00 0.00 176.35 175.76 2j1k s ILE 421 N 1.39 5.33 -0.23 -0.59 1.01 -1.26 -0.78 121.20 126.07 2j1k s ILE 421 Ca -0.01 0.17 -0.12 0.00 0.00 0.00 0.00 60.65 60.69 2j1k s ILE 421 Cb -0.20 -3.46 -0.05 0.00 0.01 0.00 0.00 42.46 38.76 2j1k s ILE 421 CO 0.02 0.39 0.23 -0.04 0.00 0.00 0.00 174.94 175.54 2j1k s MET 422 N 0.75 4.10 -0.16 2.79 -1.94 0.59 -0.73 119.30 124.70 2j1k s MET 422 Ca 0.07 -0.14 -0.05 0.00 -1.71 0.00 0.00 55.69 53.86 2j1k s MET 422 Cb -0.12 -3.54 -0.03 0.00 2.01 0.00 0.00 34.83 33.14 2j1k s MET 422 CO 0.02 0.03 0.00 -1.21 -0.01 0.00 0.00 175.02 173.84 2j1k s GLU 423 N 1.15 3.74 0.05 2.03 2.02 -1.26 -1.67 118.70 124.76 2j1k s GLU 423 Ca 0.11 -0.45 0.09 0.00 0.02 0.00 0.00 54.97 54.74 2j1k s GLU 423 Cb -0.14 -3.01 -0.03 0.00 0.10 0.00 0.00 34.13 31.05 2j1k s GLU 423 CO 0.06 0.29 -0.25 -0.06 0.02 0.00 0.00 175.26 175.32 2j1k s PHE 424 N 0.27 2.15 1.03 1.61 0.08 0.40 -0.41 117.98 123.12 2j1k s PHE 424 Ca -0.01 -0.40 -0.17 0.00 0.12 0.00 0.00 56.93 56.47 2j1k s PHE 424 Cb -0.13 -1.27 0.23 0.00 -0.57 0.00 0.00 43.02 41.28 2j1k s PHE 424 CO 0.02 0.14 1.30 0.16 -0.10 0.00 0.00 175.22 176.74 2j1k s ASP 425 N -1.32 2.53 0.00 1.36 1.47 -0.22 -1.30 116.67 119.19 2j1k s ASP 425 Ca 0.11 0.26 0.16 0.00 1.18 0.00 0.00 52.55 54.25 2j1k s ASP 425 Cb -0.10 -0.27 0.73 0.00 -0.34 0.00 0.00 42.92 42.94 2j1k s ASP 425 CO 0.02 -3.10 1.49 0.00 0.68 0.00 0.00 175.17 174.27 2j1k n GLN 426 N -4.01 0.08 -0.33 2.11 0.00 -1.26 -1.70 117.38 112.28 2j1k n GLN 426 Ca 0.16 0.19 0.09 0.00 0.00 0.00 0.00 57.00 57.44 2j1k n GLN 426 Cb 0.59 -1.50 0.25 0.00 0.00 0.00 0.00 30.24 29.58 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 -1.42 0.83 -1.71 2.61 3.72 -1.26 -4.93 117.46 115.30 2j1k n PHE 427 Ca 0.05 -0.54 -0.03 0.00 -0.05 0.00 0.00 57.45 56.88 2j1k n PHE 427 Cb 0.17 -0.07 -0.01 0.00 -0.94 0.00 0.00 39.48 38.63 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 0.96 0.38 3.64 1.37 0.00 -0.69 -2.97 105.19 107.88 2j1k n GLY 428 Ca 0.19 -0.82 -0.35 0.00 0.00 0.00 0.00 46.02 45.05 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 -3.47 3.72 0.21 1.61 -0.21 -1.26 -4.65 119.66 115.61 2j1k s GLN 429 Ca 0.00 -0.37 -0.30 0.00 0.02 0.00 0.00 55.36 54.71 2j1k s GLN 429 Cb 0.00 -3.09 -0.09 0.00 1.00 0.00 0.00 33.01 30.83 2j1k s GLN 429 CO 0.00 0.38 1.42 -1.17 -2.12 0.00 0.00 175.29 173.79 2j1k s LEU 430 N 0.06 4.39 0.52 2.90 2.96 -1.26 -1.06 118.68 127.19 2j1k s LEU 430 Ca 0.04 2.55 0.01 0.00 -0.22 0.00 0.00 54.13 56.51 2j1k s LEU 430 Cb -0.12 -3.61 0.02 0.00 0.50 0.00 0.00 46.19 42.98 2j1k s LEU 430 CO 0.01 -0.67 0.75 -0.04 -1.32 0.00 0.00 176.35 175.08 2j1k s MET 431 N 0.09 2.70 0.00 1.98 -1.94 0.46 -4.52 119.30 118.06 2j1k s MET 431 Ca 0.61 -0.68 0.30 0.00 -1.71 0.00 0.00 55.69 54.22 2j1k s MET 431 Cb -0.40 -2.50 1.57 0.00 2.01 0.00 0.00 34.83 35.51 2j1k s MET 431 CO 0.39 -0.59 2.04 -1.13 -0.01 0.00 0.00 175.02 175.71 2j1k n SER 432 N -2.28 0.55 0.02 3.03 3.41 -1.26 -2.04 113.62 115.05 2j1k n SER 432 Ca 0.06 -1.15 0.11 0.00 -0.26 0.00 0.00 58.87 57.63 2j1k n SER 432 Cb 0.59 -0.01 -0.09 0.00 -0.26 0.00 0.00 64.21 64.44 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 -0.59 0.14 -2.05 6.66 -2.24 -1.26 -4.70 114.28 110.24 2j1k n THR 433 Ca 0.22 -0.38 -0.29 0.00 -2.27 0.00 0.00 64.05 61.32 2j1k n THR 433 Cb 0.21 0.12 0.19 0.00 -2.10 0.00 0.00 70.33 68.75 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 -4.10 1.80 0.33 3.38 0.00 -1.26 -4.98 107.32 102.50 2j1k s GLY 434 Ca -0.02 -1.39 0.17 0.00 0.00 0.00 0.00 44.72 43.48 2j1k s GLY 434 CO 0.86 -0.61 1.63 3.43 0.00 0.00 0.00 173.10 178.42 2j1k h ASN 435 N -1.55 0.00 -3.13 1.64 4.21 -1.23 -3.38 115.58 112.14 2j1k h ASN 435 Ca -0.43 0.00 -0.67 0.00 1.21 0.00 0.00 56.30 56.42 2j1k h ASN 435 Cb 1.23 0.00 -0.34 0.00 -1.12 0.00 0.00 38.32 38.09 2j1k h ASN 435 CO 0.34 0.45 -0.83 -0.63 -1.29 0.00 0.00 177.43 175.46 2j1k s ILE 436 N -3.39 2.32 0.28 2.81 1.01 -1.01 -0.35 121.20 122.87 2j1k s ILE 436 Ca 0.01 -0.85 0.01 0.00 0.00 0.00 0.00 60.65 59.82 2j1k s ILE 436 Cb 0.10 -1.99 -0.00 0.00 0.01 0.00 0.00 42.46 40.58 2j1k s ILE 436 CO 0.71 0.52 0.35 -0.46 0.00 0.00 0.00 174.94 176.06 2j1k n ASN 437 N 4.63 -0.96 0.00 3.58 0.23 -1.26 -4.33 115.26 117.15 2j1k n ASN 437 Ca -0.20 -2.62 0.16 0.00 -0.53 0.00 0.00 54.58 51.38 2j1k n ASN 437 Cb 0.50 1.87 0.92 0.00 -2.08 0.00 0.00 39.78 41.00 2j1k n ASN 437 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 2j1k n SER 438 N -1.78 0.00 0.13 0.53 3.41 -0.87 -2.53 113.62 112.51 2j1k n SER 438 Ca 0.02 -0.93 0.13 0.00 -0.26 0.00 0.00 58.87 57.82 2j1k n SER 438 Cb 0.48 -0.02 0.45 0.00 -0.26 0.00 0.00 64.21 64.87 2j1k n SER 438 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 2j1k h THR 439 N 0.00 0.00 -1.82 6.66 1.35 -1.91 -3.46 112.91 113.74 2j1k h THR 439 Ca 0.00 -0.37 -0.51 0.00 -0.55 0.00 0.00 66.41 64.98 2j1k h THR 439 Cb 0.02 1.24 -0.05 0.00 -1.73 0.00 0.00 68.15 67.62 2j1k h THR 439 CO 0.00 0.00 -0.47 0.42 -0.25 0.00 0.00 175.52 175.22 2j1k s THR 440 N -3.23 3.26 -0.03 6.82 -4.23 -1.05 -5.06 115.64 112.13 2j1k s THR 440 Ca 0.07 -1.47 -0.33 0.00 -1.18 0.00 0.00 61.69 58.79 2j1k s THR 440 Cb 0.11 -3.10 -0.11 0.00 1.34 0.00 0.00 72.50 70.73 2j1k s THR 440 CO 0.50 -0.15 1.90 0.41 -0.54 0.00 0.00 174.62 176.73 2j1k n THR 441 N -1.32 0.61 -3.64 3.99 -1.04 -1.26 -4.95 114.28 106.67 2j1k n THR 441 Ca -0.02 -0.11 -0.12 0.00 -2.04 0.00 0.00 64.05 61.76 2j1k n THR 441 Cb 0.60 -2.02 -0.07 0.00 -1.82 0.00 0.00 70.33 67.02 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 4.03 -0.81 -2.20 -1.42 -0.11 -1.26 -4.56 118.94 112.60 2j1k s TRP 442 Ca 0.91 1.89 0.00 0.00 1.22 0.00 0.00 56.10 60.11 2j1k s TRP 442 Cb -0.60 0.33 0.00 0.00 -1.50 0.00 0.00 33.47 31.70 2j1k s TRP 442 CO 0.47 -0.39 0.00 0.41 -4.62 0.00 0.00 176.95 172.82 2j1k n GLY 443 N 3.06 -0.89 3.79 5.86 0.00 -0.60 -4.57 105.19 111.84 2j1k n GLY 443 Ca -0.15 -0.90 -0.38 0.00 0.00 0.00 0.00 46.02 44.59 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 -0.88 4.46 -0.34 1.61 2.12 -0.38 0.68 118.70 125.98 2j1k s GLU 444 Ca 0.00 1.09 -0.16 0.00 0.36 0.00 0.00 54.97 56.26 2j1k s GLU 444 Cb 0.00 -3.05 -0.01 0.00 0.26 0.00 0.00 34.13 31.33 2j1k s GLU 444 CO 0.00 0.46 0.42 0.21 -0.54 0.00 0.00 175.26 175.80 2j1k s LYS 445 N -1.60 3.60 0.56 4.30 2.20 -0.21 -0.33 119.74 128.27 2j1k s LYS 445 Ca 0.41 -0.31 -0.18 0.00 -0.36 0.00 0.00 55.97 55.53 2j1k s LYS 445 Cb -0.20 -3.80 -0.05 0.00 -1.51 0.00 0.00 37.83 32.27 2j1k s LYS 445 CO 0.24 -0.56 1.11 -2.14 -0.36 0.00 0.00 175.35 173.64 2j1k s PRO 446 N 2.15 3.29 0.07 4.03 0.02 -1.26 -4.49 135.00 138.80 2j1k s PRO 446 Ca 0.14 1.51 -0.31 0.00 0.02 0.00 0.00 61.00 62.37 2j1k s PRO 446 Cb -0.16 -2.01 -0.08 0.00 0.02 0.00 0.00 34.50 32.27 2j1k s PRO 446 CO 0.12 -0.88 1.64 -0.46 -0.33 0.00 0.00 177.00 177.09 2j1k s TRP 447 N -1.96 2.46 0.00 6.54 -0.00 -1.26 -3.14 118.94 121.58 2j1k s TRP 447 Ca 0.70 0.35 0.00 0.00 -0.00 0.00 0.00 56.10 57.15 2j1k s TRP 447 Cb -0.22 -3.95 0.00 0.00 -0.00 0.00 0.00 33.47 29.30 2j1k s TRP 447 CO 0.30 -3.81 0.00 0.41 -0.00 0.00 0.00 176.95 173.85 2j1k n GLY 448 N 3.98 0.29 3.45 5.86 0.00 -1.26 -5.06 105.19 112.44 2j1k n GLY 448 Ca 0.16 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.24 0.07 -0.31 1.61 2.20 -1.19 -5.06 114.94 110.03 2j1k s ASN 449 Ca 0.00 -1.13 0.10 0.00 -0.94 0.00 0.00 52.86 50.89 2j1k s ASN 449 Cb 0.00 0.52 0.70 0.00 -2.00 0.00 0.00 41.25 40.47 2j1k s ASN 449 CO 0.00 -1.05 1.74 0.59 -2.94 0.00 0.00 177.10 175.44 2j1k n ASN 450 N -0.43 4.45 -4.82 3.54 3.02 -1.26 -4.37 115.26 115.40 2j1k n ASN 450 Ca -0.00 -3.28 -0.30 0.00 -0.03 0.00 0.00 54.58 50.96 2j1k n ASN 450 Cb 0.63 -0.72 0.07 0.00 -0.61 0.00 0.00 39.78 39.15 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 -3.03 3.56 -0.25 3.41 -4.23 -1.26 -4.54 115.64 109.30 2j1k s THR 451 Ca 0.53 0.51 0.01 0.00 -1.18 0.00 0.00 61.69 61.56 2j1k s THR 451 Cb 0.43 -3.27 0.05 0.00 1.34 0.00 0.00 72.50 71.04 2j1k s THR 451 CO 0.12 -0.66 -0.11 -0.69 -0.54 0.00 0.00 174.62 172.73 2j1k s VAL 452 N -3.12 2.35 -0.37 2.29 1.01 -1.26 -4.34 120.40 116.96 2j1k s VAL 452 Ca 0.59 -1.38 -0.15 0.00 0.00 0.00 0.00 61.98 61.04 2j1k s VAL 452 Cb -0.14 -2.27 -0.00 0.00 0.00 0.00 0.00 36.38 33.97 2j1k s VAL 452 CO 0.54 0.11 0.36 -1.10 0.00 0.00 0.00 175.10 175.02 2j1k s GLN 453 N 1.19 3.37 0.06 2.72 -1.52 0.56 -4.83 119.66 121.21 2j1k s GLN 453 Ca -0.04 -0.60 0.28 0.00 -1.95 0.00 0.00 55.36 53.05 2j1k s GLN 453 Cb -0.18 -3.87 1.07 0.00 -0.22 0.00 0.00 33.01 29.82 2j1k s GLN 453 CO -0.06 -0.63 1.85 -0.35 -0.25 0.00 0.00 175.29 175.86 2j1k n PRO 454 N 5.39 0.08 -2.30 2.91 -0.04 -1.26 -1.24 135.00 138.53 2j1k n PRO 454 Ca -0.09 0.06 -0.43 0.00 -0.04 0.00 0.00 63.50 63.00 2j1k n PRO 454 Cb 0.49 -1.59 -0.02 0.00 -0.04 0.00 0.00 33.50 32.33 2j1k n PRO 454 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2j1k s ARG 455 N -3.03 3.72 0.62 0.54 3.52 -1.26 -4.98 118.95 118.08 2j1k s ARG 455 Ca 0.13 1.24 -0.19 0.00 -0.13 0.00 0.00 55.73 56.77 2j1k s ARG 455 Cb 0.17 -3.99 -0.02 0.00 -1.56 0.00 0.00 34.95 29.55 2j1k s ARG 455 CO 0.56 -1.38 1.30 -2.14 -0.81 0.00 0.00 175.30 172.83 2j1k s PRO 456 N 4.67 2.73 0.12 5.12 0.02 -1.26 -4.93 135.00 141.47 2j1k s PRO 456 Ca 0.63 2.07 0.06 0.00 0.02 0.00 0.00 61.00 63.79 2j1k s PRO 456 Cb -0.18 -1.94 -0.04 0.00 0.02 0.00 0.00 34.50 32.36 2j1k s PRO 456 CO 0.29 -1.46 -0.15 0.45 -0.33 0.00 0.00 177.00 175.80 2j1k s SER 457 N -1.32 2.03 0.54 2.53 0.15 -1.26 -5.02 113.70 111.34 2j1k s SER 457 Ca 0.80 -0.79 0.25 0.00 0.70 0.00 0.00 55.95 56.91 2j1k s SER 457 Cb -0.37 -0.07 1.42 0.00 -1.71 0.00 0.00 66.02 65.28 2j1k s SER 457 CO 0.41 -0.13 2.01 1.12 1.20 0.00 0.00 173.24 177.85 2j1k h HIS 458 N 3.59 0.00 0.00 3.44 2.07 -1.96 -2.57 115.15 119.72 2j1k h HIS 458 Ca -0.40 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.12 2j1k h HIS 458 Cb 1.20 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.18 2j1k h HIS 458 CO 0.65 0.00 0.00 1.79 -3.07 0.00 0.00 177.93 177.30 2j1k h THR 459 N 0.00 0.00 -0.25 6.12 1.35 -1.95 -3.00 112.91 115.18 2j1k h THR 459 Ca 0.22 -0.26 0.02 0.00 -0.55 0.00 0.00 66.41 65.83 2j1k h THR 459 Cb 0.92 1.21 -0.01 0.00 -1.73 0.00 0.00 68.15 68.54 2j1k h THR 459 CO -0.00 0.00 0.17 -0.50 -0.25 0.00 0.00 175.52 174.94 2j1k h TRP 460 N 0.00 0.27 -0.55 4.73 4.06 -1.69 -0.92 115.95 121.84 2j1k h TRP 460 Ca 0.00 0.01 0.11 0.00 2.06 0.00 0.00 58.89 61.06 2j1k h TRP 460 Cb 0.27 -0.09 -0.03 0.00 -1.00 0.00 0.00 29.16 28.31 2j1k h TRP 460 CO 0.00 0.16 0.38 -0.22 -3.56 0.00 0.00 178.44 175.20 2j1k h LYS 461 N 0.28 0.29 0.00 0.49 3.64 -1.41 -2.36 116.57 117.50 2j1k h LYS 461 Ca 0.10 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 2j1k h LYS 461 Cb 0.06 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 2j1k h LYS 461 CO -0.02 0.19 0.00 -0.07 -2.27 0.00 0.00 179.45 177.28 2j1k h LEU 462 N 0.30 0.00 -0.27 5.20 3.38 -1.37 -1.01 115.31 121.53 2j1k h LEU 462 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 2j1k h LEU 462 Cb 0.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 2j1k h LEU 462 CO -0.06 0.00 -0.19 0.00 0.09 0.00 0.00 178.44 178.29 2j1k s MET 464 N -2.57 4.25 -0.05 0.00 -1.94 -0.38 -4.90 119.30 113.71 2j1k s MET 464 Ca 0.25 1.02 -0.30 0.00 -1.71 0.00 0.00 55.69 54.95 2j1k s MET 464 Cb 0.19 -2.45 -0.05 0.00 2.01 0.00 0.00 34.83 34.53 2j1k s MET 464 CO 0.51 0.13 1.62 -1.25 -0.01 0.00 0.00 175.02 176.02 2j1k s PRO 465 N -2.77 4.19 -0.46 2.03 0.04 -1.26 -0.77 135.00 136.00 2j1k s PRO 465 Ca 0.55 2.16 -0.44 0.00 0.04 0.00 0.00 61.00 63.31 2j1k s PRO 465 Cb -0.12 -3.93 -0.18 0.00 0.04 0.00 0.00 34.50 30.31 2j1k s PRO 465 CO 0.17 -0.82 1.86 -1.71 0.04 0.00 0.00 177.00 176.55 2j1k n ASN 466 N 6.92 1.25 0.21 6.66 2.85 -0.25 -4.71 115.26 128.19 2j1k n ASN 466 Ca 0.17 0.93 0.04 0.00 -0.11 0.00 0.00 54.58 55.61 2j1k n ASN 466 Cb 0.43 -0.95 0.45 0.00 1.24 0.00 0.00 39.78 40.95 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 7.29 0.00 -0.02 1.20 0.11 -1.90 -0.33 114.38 120.73 2j1k h ARG 467 Ca -0.31 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 59.71 2j1k h ARG 467 Cb 1.38 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.46 2j1k h ARG 467 CO 1.02 0.25 -0.24 0.93 0.10 0.00 0.00 179.97 182.02 2j1k h GLU 468 N 0.00 0.21 -0.79 0.08 5.08 -1.98 -2.43 114.58 114.75 2j1k h GLU 468 Ca -0.00 -0.19 -0.03 0.00 -1.00 0.00 0.00 59.36 58.13 2j1k h GLU 468 Cb 0.43 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.69 2j1k h GLU 468 CO 0.03 0.88 0.37 0.28 -1.00 0.00 0.00 179.01 179.57 2j1k h VAL 469 N -0.39 1.25 -1.99 3.13 2.07 -1.90 -3.24 116.25 115.18 2j1k h VAL 469 Ca -0.02 -0.71 -0.67 0.00 0.82 0.00 0.00 66.70 66.12 2j1k h VAL 469 Cb 0.95 0.26 -0.36 0.00 -1.52 0.00 0.00 31.29 30.62 2j1k h VAL 469 CO 0.05 0.30 0.00 -1.22 0.02 0.00 0.00 177.57 176.72 2j1k n TYR 470 N -4.36 3.40 0.14 1.57 4.01 -0.15 -4.76 117.16 117.02 2j1k n TYR 470 Ca 0.07 -3.11 0.01 0.00 -0.16 0.00 0.00 57.90 54.71 2j1k n TYR 470 Cb 0.14 -0.64 0.15 0.00 -0.31 0.00 0.00 39.34 38.67 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 3.10 0.00 -2.93 7.72 4.64 -1.46 -3.42 113.55 121.19 2j1k h SER 471 Ca 0.35 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 61.05 2j1k h SER 471 Cb 0.50 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 62.45 2j1k h SER 471 CO 1.02 0.59 -0.71 0.42 -0.87 0.00 0.00 176.83 177.28 2j1k s THR 472 N -3.31 3.25 0.25 2.95 -4.23 -1.26 -5.09 115.64 108.20 2j1k s THR 472 Ca 0.01 -1.65 -0.31 0.00 -1.18 0.00 0.00 61.69 58.55 2j1k s THR 472 Cb 0.11 -2.62 -0.12 0.00 1.34 0.00 0.00 72.50 71.20 2j1k s THR 472 CO 0.74 -0.13 1.65 -2.65 -0.54 0.00 0.00 174.62 173.69 2j1k n PRO 473 N -0.04 2.69 -4.16 3.99 -0.02 -1.26 -4.99 135.00 131.22 2j1k n PRO 473 Ca -0.10 0.96 -0.22 0.00 -2.02 0.00 0.00 63.50 62.12 2j1k n PRO 473 Cb 0.56 -2.77 -0.05 0.00 -0.02 0.00 0.00 33.50 31.22 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 0.55 3.48 0.08 3.55 0.00 -0.91 -4.96 121.76 123.56 2j1k s ALA 474 Ca 0.70 -1.47 -0.09 0.00 0.00 0.00 0.00 51.96 51.10 2j1k s ALA 474 Cb -0.51 -1.18 -0.00 0.00 0.00 0.00 0.00 23.12 21.43 2j1k s ALA 474 CO 0.41 0.26 0.19 0.00 0.00 0.00 0.00 175.76 176.62 2j1k s ALA 475 N -2.17 -0.26 -0.15 0.00 0.00 -1.26 -0.57 121.76 117.34 2j1k s ALA 475 Ca 0.32 -0.54 -0.04 0.00 0.00 0.00 0.00 51.96 51.70 2j1k s ALA 475 Cb -0.08 0.45 0.06 0.00 0.00 0.00 0.00 23.12 23.56 2j1k s ALA 475 CO 0.24 -0.48 0.14 0.99 0.00 0.00 0.00 175.76 176.64 2j1k s THR 476 N -3.60 -0.19 -0.24 0.00 2.01 -0.69 -5.00 115.64 107.91 2j1k s THR 476 Ca 0.03 -0.01 -0.15 0.00 0.31 0.00 0.00 61.69 61.88 2j1k s THR 476 Cb 0.04 -0.52 -0.04 0.00 0.01 0.00 0.00 72.50 71.99 2j1k s THR 476 CO -0.10 -0.14 0.36 -0.51 -0.69 0.00 0.00 174.62 173.54 2j1k s ILE 477 N 2.22 5.20 0.23 1.82 2.07 -1.26 -1.29 121.20 130.19 2j1k s ILE 477 Ca 0.04 0.58 0.09 0.00 -1.41 0.00 0.00 60.65 59.94 2j1k s ILE 477 Cb -0.15 -3.69 -0.05 0.00 0.13 0.00 0.00 42.46 38.70 2j1k s ILE 477 CO -0.09 0.21 -0.15 -0.44 -1.91 0.00 0.00 174.94 172.56 2j1k s SER 478 N 1.39 2.82 0.38 4.50 0.01 -0.27 -4.98 113.70 117.56 2j1k s SER 478 Ca 0.16 -1.03 -0.27 0.00 1.31 0.00 0.00 55.95 56.11 2j1k s SER 478 Cb -0.15 -0.18 -0.09 0.00 0.21 0.00 0.00 66.02 65.81 2j1k s SER 478 CO 0.09 -0.13 1.34 -0.60 0.41 0.00 0.00 173.24 174.35 2j1k s ARG 479 N -3.62 4.07 -0.43 12.44 3.52 -1.26 -1.32 118.95 132.34 2j1k s ARG 479 Ca 0.25 2.26 0.02 0.00 -0.13 0.00 0.00 55.73 58.12 2j1k s ARG 479 Cb -0.01 -2.87 0.14 0.00 -1.56 0.00 0.00 34.95 30.65 2j1k s ARG 479 CO 0.09 -0.44 0.26 0.00 -0.81 0.00 0.00 175.30 174.39 2j1k n GLY 481 N 3.49 0.80 3.36 0.00 0.00 -1.26 -1.40 105.19 110.17 2j1k n GLY 481 Ca 0.12 0.33 -0.32 0.00 0.00 0.00 0.00 46.02 46.14 2j1k n GLY 481 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2j1k s LEU 482 N -1.27 2.46 -1.57 0.99 1.43 -0.48 -0.84 118.68 119.40 2j1k s LEU 482 Ca 0.55 -0.36 -0.14 0.00 -1.03 0.00 0.00 54.13 53.16 2j1k s LEU 482 Cb -0.54 -1.50 0.10 0.00 0.03 0.00 0.00 46.19 44.28 2j1k s LEU 482 CO 0.62 0.25 0.85 -0.67 0.23 0.00 0.00 176.35 177.63 2j1k n ASP 483 N 2.92 -3.70 -0.00 2.29 2.03 -0.12 -4.77 116.55 115.20 2j1k n ASP 483 Ca -0.18 -0.88 -0.03 0.00 0.52 0.00 0.00 54.79 54.22 2j1k n ASP 483 Cb 0.52 -3.42 0.20 0.00 -0.72 0.00 0.00 41.12 37.71 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 -1.84 0.53 -0.04 1.67 0.02 -1.86 -0.34 113.55 111.70 2j1k h SER 484 Ca -0.59 -0.16 -0.01 0.00 -0.84 0.00 0.00 61.79 60.18 2j1k h SER 484 Cb 1.38 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 63.77 2j1k h SER 484 CO 0.70 0.73 -0.03 0.40 -1.14 0.00 0.00 176.83 177.49 2j1k h ILE 485 N 0.48 1.37 -0.22 3.27 2.04 -1.95 0.12 117.51 122.62 2j1k h ILE 485 Ca 0.08 -1.14 -0.14 0.00 1.00 0.00 0.00 64.86 64.67 2j1k h ILE 485 Cb 0.60 2.05 -0.01 0.00 -0.74 0.00 0.00 36.82 38.72 2j1k h ILE 485 CO 0.04 0.30 -0.44 0.00 0.00 0.00 0.00 178.15 178.06 2j1k h ALA 486 N 0.56 0.82 -0.06 1.87 0.00 -1.83 -2.62 119.26 118.00 2j1k h ALA 486 Ca 0.01 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2j1k h ALA 486 Cb 0.51 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2j1k h ALA 486 CO 0.01 0.65 0.00 1.33 0.00 0.00 0.00 179.25 181.24 2j1k n VAL 487 N -4.01 0.06 -3.96 0.00 0.24 -0.18 -4.95 118.33 105.53 2j1k n VAL 487 Ca -0.02 -0.26 -0.31 0.00 -2.04 0.00 0.00 64.34 61.71 2j1k n VAL 487 Cb 0.53 0.41 0.01 0.00 -1.47 0.00 0.00 33.84 33.33 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 0.15 -4.14 -1.38 -1.34 2.03 -0.19 -2.66 116.55 109.02 2j1k n ASP 488 Ca 0.18 -0.83 -0.13 0.00 0.52 0.00 0.00 54.79 54.53 2j1k n ASP 488 Cb 0.33 -3.65 -0.02 0.00 -0.72 0.00 0.00 41.12 37.06 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 -1.64 0.29 3.63 0.27 0.00 0.25 -4.94 105.19 103.06 2j1k n GLY 489 Ca 0.01 -0.35 -0.51 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.79 -0.15 -0.14 4.61 0.00 -1.09 -4.83 120.51 118.12 2j1k n ALA 490 Ca -0.15 0.46 0.22 0.00 0.00 0.00 0.00 53.44 53.97 2j1k n ALA 490 Cb 0.57 -2.20 0.63 0.00 0.00 0.00 0.00 19.45 18.45 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 5.61 0.16 -0.78 0.00 0.11 -1.93 -0.48 132.00 134.69 2j1k h PRO 491 Ca -0.47 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.59 2j1k h PRO 491 Cb 1.31 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.36 2j1k h PRO 491 CO 0.84 0.11 0.05 -1.13 -0.21 0.00 0.00 178.00 177.66 2j1k n SER 492 N -4.39 3.82 -0.83 -2.05 3.41 -1.26 -3.75 113.62 108.57 2j1k n SER 492 Ca 0.16 -2.62 0.06 0.00 -0.26 0.00 0.00 58.87 56.21 2j1k n SER 492 Cb 0.73 -0.63 0.23 0.00 -0.26 0.00 0.00 64.21 64.28 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 0.26 2.41 -5.09 4.33 5.12 -0.19 -1.59 116.66 121.92 2j1k n ARG 493 Ca 0.19 -2.89 -0.32 0.00 -1.93 0.00 0.00 57.85 52.91 2j1k n ARG 493 Cb 0.88 -1.79 -0.15 0.00 -1.16 0.00 0.00 32.46 30.24 2j1k n ARG 493 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2j1k s SER 494 N -2.23 3.51 0.00 0.55 0.15 -1.25 -1.38 113.70 113.05 2j1k s SER 494 Ca 0.41 -0.37 0.00 0.00 0.70 0.00 0.00 55.95 56.69 2j1k s SER 494 Cb 0.35 -0.83 0.00 0.00 -1.71 0.00 0.00 66.02 63.82 2j1k s SER 494 CO 0.06 0.29 0.00 2.30 1.20 0.00 0.00 173.24 177.08 2j1k n ILE 495 N 2.69 0.00 -4.29 6.45 -5.35 -0.49 -4.37 119.36 114.01 2j1k n ILE 495 Ca -0.17 0.00 -0.29 0.00 -0.27 0.00 0.00 62.75 62.02 2j1k n ILE 495 Cb 0.52 -0.37 -0.11 0.00 -1.74 0.00 0.00 39.64 37.94 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 -0.60 4.02 -0.13 7.28 1.01 -0.43 -0.85 116.67 126.97 2j1k s ASP 496 Ca 0.00 -0.54 0.00 0.00 0.71 0.00 0.00 52.55 52.73 2j1k s ASP 496 Cb 0.00 -0.62 0.02 0.00 1.01 0.00 0.00 42.92 43.33 2j1k s ASP 496 CO 0.00 0.17 -0.12 0.00 0.21 0.00 0.00 175.17 175.43 2j1k s MET 498 N 1.47 3.70 -0.12 0.00 1.75 0.29 -1.11 119.30 125.29 2j1k s MET 498 Ca 0.03 -0.45 -0.27 0.00 -1.25 0.00 0.00 55.69 53.74 2j1k s MET 498 Cb -0.13 -3.35 -0.02 0.00 2.84 0.00 0.00 34.83 34.17 2j1k s MET 498 CO -0.08 -0.16 0.91 -1.17 -0.65 0.00 0.00 175.02 173.86 2j1k s LEU 499 N 1.57 4.24 -0.14 4.11 2.96 -0.41 -0.89 118.68 130.12 2j1k s LEU 499 Ca 0.06 1.38 -0.03 0.00 -0.22 0.00 0.00 54.13 55.33 2j1k s LEU 499 Cb -0.15 -3.40 -0.02 0.00 0.50 0.00 0.00 46.19 43.12 2j1k s LEU 499 CO 0.04 -0.38 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.00 2j1k s ILE 500 N 1.87 3.70 -0.26 6.68 1.01 0.19 -1.71 121.20 132.67 2j1k s ILE 500 Ca 0.44 -0.43 -0.07 0.00 0.00 0.00 0.00 60.65 60.59 2j1k s ILE 500 Cb -0.18 -2.60 -0.02 0.00 0.01 0.00 0.00 42.46 39.67 2j1k s ILE 500 CO 0.17 0.51 0.07 -0.63 0.00 0.00 0.00 174.94 175.06 2j1k s ILE 501 N 0.24 4.19 -1.76 2.92 1.01 0.26 -0.79 121.20 127.28 2j1k s ILE 501 Ca -0.04 -0.32 0.00 0.00 0.00 0.00 0.00 60.65 60.29 2j1k s ILE 501 Cb -0.14 -3.01 0.00 0.00 0.01 0.00 0.00 42.46 39.31 2j1k s ILE 501 CO 0.03 0.27 0.00 0.59 0.00 0.00 0.00 174.94 175.83 2j1k n ASN 502 N 4.91 -5.52 -4.67 3.58 3.02 0.22 -2.14 115.26 114.66 2j1k n ASN 502 Ca -0.16 0.11 -0.42 0.00 -0.03 0.00 0.00 54.58 54.08 2j1k n ASN 502 Cb 0.50 -4.60 -0.03 0.00 -0.61 0.00 0.00 39.78 35.05 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 -4.64 4.18 0.29 3.52 2.20 -1.26 -4.48 119.74 119.54 2j1k s LYS 503 Ca 0.00 2.31 -0.28 0.00 -0.36 0.00 0.00 55.97 57.63 2j1k s LYS 503 Cb 0.00 -3.87 -0.14 0.00 -1.51 0.00 0.00 37.83 32.31 2j1k s LYS 503 CO 0.00 -0.82 1.05 -2.30 -0.36 0.00 0.00 175.35 172.92 2j1k n PRO 504 N 6.61 1.43 -3.30 4.03 -0.02 -1.26 -4.75 135.00 137.74 2j1k n PRO 504 Ca 0.17 0.50 -0.05 0.00 -2.02 0.00 0.00 63.50 62.10 2j1k n PRO 504 Cb 0.42 -1.90 -0.06 0.00 -0.02 0.00 0.00 33.50 31.94 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 -1.49 0.42 7.46 -0.52 2.47 -1.26 -5.12 119.74 121.70 2j1k s LYS 505 Ca 0.59 0.71 0.00 0.00 -1.56 0.00 0.00 55.97 55.71 2j1k s LYS 505 Cb -0.70 -0.11 0.00 0.00 -1.46 0.00 0.00 37.83 35.56 2j1k s LYS 505 CO 0.59 -0.62 0.00 0.41 0.16 0.00 0.00 175.35 175.90 2j1k n GLY 506 N 5.39 3.56 1.05 5.54 0.00 -1.26 -2.14 105.19 117.33 2j1k n GLY 506 Ca -0.03 -0.09 0.08 0.00 0.00 0.00 0.00 46.02 45.98 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 1.71 -1.80 1.61 0.24 -1.26 -5.00 118.33 113.84 2j1k n VAL 507 Ca 0.00 -1.35 -0.41 0.00 -2.04 0.00 0.00 64.34 60.53 2j1k n VAL 507 Cb 0.00 0.13 -0.01 0.00 -1.47 0.00 0.00 33.84 32.48 2j1k n VAL 507 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2j1k s ALA 508 N -1.89 3.69 -0.06 2.33 0.00 -0.91 -4.94 121.76 119.98 2j1k s ALA 508 Ca 0.39 1.56 -0.14 0.00 0.00 0.00 0.00 51.96 53.77 2j1k s ALA 508 Cb 0.26 -3.63 -0.30 0.00 0.00 0.00 0.00 23.12 19.45 2j1k s ALA 508 CO 0.16 -0.99 0.68 1.15 0.00 0.00 0.00 175.76 176.76 2j1k h THR 509 N 3.28 1.04 -4.15 0.00 2.02 -1.46 -3.43 112.91 110.20 2j1k h THR 509 Ca -0.48 -2.49 -0.59 0.00 0.77 0.00 0.00 66.41 63.62 2j1k h THR 509 Cb 1.23 2.81 -0.25 0.00 -1.74 0.00 0.00 68.15 70.19 2j1k h THR 509 CO 0.75 0.79 -0.84 -0.31 0.37 0.00 0.00 175.52 176.28 2j1k s TYR 510 N -2.53 1.86 0.00 3.16 2.02 -0.74 -5.00 117.35 116.12 2j1k s TYR 510 Ca -0.16 -0.38 0.00 0.00 -0.37 0.00 0.00 57.07 56.16 2j1k s TYR 510 Cb 0.05 -1.10 -0.00 0.00 -0.40 0.00 0.00 41.96 40.50 2j1k s TYR 510 CO 0.83 0.11 -0.01 0.95 -1.57 0.00 0.00 175.55 175.86 2j1k s THR 511 N -0.84 0.08 -0.13 -0.71 -4.23 -1.26 -0.45 115.64 108.10 2j1k s THR 511 Ca 0.08 -0.17 0.02 0.00 -1.18 0.00 0.00 61.69 60.44 2j1k s THR 511 Cb -0.09 -0.10 0.01 0.00 1.34 0.00 0.00 72.50 73.67 2j1k s THR 511 CO 0.02 -0.06 -0.19 -0.76 -0.54 0.00 0.00 174.62 173.09 2j1k s LEU 512 N -0.24 1.94 -0.14 4.79 1.43 -0.67 -0.61 118.68 125.17 2j1k s LEU 512 Ca -0.02 -0.53 -0.01 0.00 -1.03 0.00 0.00 54.13 52.54 2j1k s LEU 512 Cb -0.02 -1.30 -0.01 0.00 0.03 0.00 0.00 46.19 44.89 2j1k s LEU 512 CO -0.00 0.05 -0.12 -0.89 0.23 0.00 0.00 176.35 175.62 2j1k s THR 513 N 0.92 3.12 -0.49 5.49 2.01 0.03 -0.30 115.64 126.42 2j1k s THR 513 Ca -0.06 -0.63 -0.16 0.00 0.31 0.00 0.00 61.69 61.15 2j1k s THR 513 Cb -0.15 -2.33 0.09 0.00 0.01 0.00 0.00 72.50 70.12 2j1k s THR 513 CO -0.02 0.51 0.43 -0.36 -0.69 0.00 0.00 174.62 174.49 2j1k s PHE 514 N 0.51 3.24 -0.29 4.92 0.08 0.04 -0.64 117.98 125.83 2j1k s PHE 514 Ca -0.08 -1.03 -0.10 0.00 0.12 0.00 0.00 56.93 55.85 2j1k s PHE 514 Cb -0.16 -3.37 -0.02 0.00 -0.57 0.00 0.00 43.02 38.90 2j1k s PHE 514 CO 0.04 -0.87 0.15 0.50 -0.10 0.00 0.00 175.22 174.93 2j1k s ARG 515 N 1.66 3.54 -0.23 0.44 3.52 -0.07 -0.83 118.95 126.98 2j1k s ARG 515 Ca 0.04 -0.58 -0.14 0.00 -0.13 0.00 0.00 55.73 54.93 2j1k s ARG 515 Cb -0.26 -3.54 -0.04 0.00 -1.56 0.00 0.00 34.95 29.55 2j1k s ARG 515 CO 0.06 -0.32 0.31 -0.06 -0.81 0.00 0.00 175.30 174.48 2j1k s PHE 516 N 1.65 3.31 0.09 5.12 0.08 0.33 -0.54 117.98 128.01 2j1k s PHE 516 Ca 0.06 0.41 0.01 0.00 0.12 0.00 0.00 56.93 57.53 2j1k s PHE 516 Cb -0.16 -2.45 -0.04 0.00 -0.57 0.00 0.00 43.02 39.80 2j1k s PHE 516 CO 0.07 -0.05 -0.06 -0.51 -0.10 0.00 0.00 175.22 174.57 2j1k s LEU 517 N 1.45 2.49 -1.31 -0.37 1.43 -0.38 -2.29 118.68 119.69 2j1k s LEU 517 Ca 0.14 -0.97 -0.03 0.00 -1.03 0.00 0.00 54.13 52.24 2j1k s LEU 517 Cb -0.15 -0.03 0.01 0.00 0.03 0.00 0.00 46.19 46.05 2j1k s LEU 517 CO 0.08 -0.47 0.86 0.59 0.23 0.00 0.00 176.35 177.64 2j1k n ASN 518 N 0.10 -2.32 0.29 2.29 3.02 -1.26 -1.31 115.26 116.06 2j1k n ASN 518 Ca -0.13 -0.74 0.14 0.00 -0.03 0.00 0.00 54.58 53.82 2j1k n ASN 518 Cb 0.60 -4.40 0.85 0.00 -0.61 0.00 0.00 39.78 36.22 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 -1.98 0.00 0.00 3.10 0.04 -1.83 -1.85 116.94 114.42 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 1.36 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.51 2j1k h PHE 519 CO 0.47 0.02 0.00 0.27 -0.60 0.00 0.00 178.31 178.47 2j1k n ASN 520 N -3.94 0.19 0.26 2.17 6.94 -1.04 -1.19 115.26 118.66 2j1k n ASN 520 Ca -0.03 0.57 0.13 0.00 -0.02 0.00 0.00 54.58 55.23 2j1k n ASN 520 Cb 0.10 -0.60 0.73 0.00 -2.36 0.00 0.00 39.78 37.65 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 -6.87 -3.83 3.08 -1.62 -3.45 114.38 101.69 2j1k h ARG 521 Ca 0.00 0.00 -0.50 0.00 0.07 0.00 0.00 59.98 59.55 2j1k h ARG 521 Cb 0.10 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.19 2j1k h ARG 521 CO 0.00 0.11 0.50 -0.51 -1.07 0.00 0.00 179.97 179.00 2j1k s LEU 522 N -7.32 4.40 0.31 3.04 1.43 -0.33 -4.72 118.68 115.49 2j1k s LEU 522 Ca -0.03 2.32 0.23 0.00 -1.03 0.00 0.00 54.13 55.62 2j1k s LEU 522 Cb 0.13 -3.79 0.26 0.00 0.03 0.00 0.00 46.19 42.82 2j1k s LEU 522 CO 0.59 -0.36 1.40 0.77 0.23 0.00 0.00 176.35 178.97 2j1k h SER 523 N 3.32 0.00 -1.47 2.29 4.64 -1.62 -3.43 113.55 117.29 2j1k h SER 523 Ca -0.48 -0.02 0.14 0.00 -0.47 0.00 0.00 61.79 60.97 2j1k h SER 523 Cb 1.22 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.28 2j1k h SER 523 CO 0.65 0.01 0.42 0.61 -0.87 0.00 0.00 176.83 177.65 2j1k n GLY 524 N 1.17 0.64 3.60 -0.77 0.00 -1.26 -5.01 105.19 103.56 2j1k n GLY 524 Ca 0.03 -1.00 -0.52 0.00 0.00 0.00 0.00 46.02 44.53 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 -0.46 0.53 2.89 -0.02 0.00 -1.26 -4.44 105.19 102.44 2j1k n GLY 525 Ca 0.01 0.71 -0.12 0.00 0.00 0.00 0.00 46.02 46.61 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 0.63 -0.00 0.11 2.61 2.01 -0.41 -4.99 115.64 115.60 2j1k s THR 526 Ca 0.85 0.01 -0.31 0.00 0.31 0.00 0.00 61.69 62.54 2j1k s THR 526 Cb -0.94 -0.05 -0.11 0.00 0.01 0.00 0.00 72.50 71.42 2j1k s THR 526 CO 0.47 0.00 1.85 -0.11 -0.69 0.00 0.00 174.62 176.15 2j1k n LEU 527 N 3.12 4.03 -3.83 4.42 7.94 -1.26 -1.19 117.00 130.23 2j1k n LEU 527 Ca -0.13 0.98 -0.42 0.00 -1.11 0.00 0.00 56.01 55.33 2j1k n LEU 527 Cb 0.59 -1.54 -0.02 0.00 0.53 0.00 0.00 43.42 42.99 2j1k n LEU 527 CO 0.25 0.17 2.43 0.33 -1.11 0.00 0.00 177.39 179.46 2j1k n PHE 528 N 5.87 3.24 -3.79 1.96 7.35 0.16 -3.91 117.46 128.34 2j1k n PHE 528 Ca 0.18 -2.63 -0.30 0.00 -0.76 0.00 0.00 57.45 53.95 2j1k n PHE 528 Cb 0.37 -2.37 -0.14 0.00 0.35 0.00 0.00 39.48 37.70 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 3.87 1.39 0.67 -4.13 2.20 -1.26 -0.64 119.74 121.84 2j1k s LYS 529 Ca 0.51 -2.03 -0.12 0.00 -0.36 0.00 0.00 55.97 53.97 2j1k s LYS 529 Cb 0.12 -2.59 -0.00 0.00 -1.51 0.00 0.00 37.83 33.85 2j1k s LYS 529 CO -0.01 -1.11 1.06 0.95 -0.36 0.00 0.00 175.35 175.88 2j1k s THR 530 N 0.40 3.87 1.12 3.43 -4.23 -0.31 -0.95 115.64 118.96 2j1k s THR 530 Ca 0.16 0.70 -0.12 0.00 -1.18 0.00 0.00 61.69 61.25 2j1k s THR 530 Cb -0.24 -3.34 0.26 0.00 1.34 0.00 0.00 72.50 70.52 2j1k s THR 530 CO -0.03 -0.70 1.05 -1.81 -0.54 0.00 0.00 174.62 172.59 2j1k s ASP 531 N -3.39 1.30 -0.15 3.99 1.01 -0.02 -4.55 116.67 114.85 2j1k s ASP 531 Ca 0.60 1.73 -0.29 0.00 0.71 0.00 0.00 52.55 55.30 2j1k s ASP 531 Cb -0.15 -2.41 -0.02 0.00 1.01 0.00 0.00 42.92 41.35 2j1k s ASP 531 CO 0.49 -4.04 1.33 -0.69 0.21 0.00 0.00 175.17 172.47 2j1k s VAL 532 N -2.47 4.16 -0.09 -1.27 1.01 -1.26 -4.50 120.40 115.99 2j1k s VAL 532 Ca 0.68 1.41 -0.02 0.00 0.00 0.00 0.00 61.98 64.05 2j1k s VAL 532 Cb -0.25 -3.91 -0.03 0.00 0.00 0.00 0.00 36.38 32.19 2j1k s VAL 532 CO 0.63 -0.13 0.01 -0.76 0.00 0.00 0.00 175.10 174.86 2j1k s LEU 533 N 3.60 3.64 -0.06 3.92 1.43 0.14 -4.94 118.68 126.40 2j1k s LEU 533 Ca 0.58 0.16 0.03 0.00 -1.03 0.00 0.00 54.13 53.87 2j1k s LEU 533 Cb -0.24 -1.84 0.01 0.00 0.03 0.00 0.00 46.19 44.15 2j1k s LEU 533 CO 0.17 0.38 -0.15 -0.89 0.23 0.00 0.00 176.35 176.09 2j1k s THR 534 N -0.87 1.31 0.24 5.49 2.01 -1.26 -1.44 115.64 121.13 2j1k s THR 534 Ca 0.13 -0.61 0.04 0.00 0.31 0.00 0.00 61.69 61.57 2j1k s THR 534 Cb -0.11 -1.17 -0.05 0.00 0.01 0.00 0.00 72.50 71.18 2j1k s THR 534 CO 0.02 0.39 -0.01 -0.36 -0.69 0.00 0.00 174.62 173.97 2j1k s PHE 535 N 0.43 1.63 -0.03 4.92 0.08 -0.24 -4.99 117.98 119.79 2j1k s PHE 535 Ca -0.12 -0.89 -0.02 0.00 0.12 0.00 0.00 56.93 56.02 2j1k s PHE 535 Cb -0.15 -0.94 0.01 0.00 -0.57 0.00 0.00 43.02 41.37 2j1k s PHE 535 CO 0.04 0.01 0.07 0.99 -0.10 0.00 0.00 175.22 176.22 2j1k s THR 536 N -3.36 -0.00 0.12 0.64 2.01 -1.26 -0.59 115.64 113.20 2j1k s THR 536 Ca 0.29 0.00 -0.08 0.00 0.31 0.00 0.00 61.69 62.21 2j1k s THR 536 Cb 0.05 -0.10 -0.01 0.00 0.01 0.00 0.00 72.50 72.45 2j1k s THR 536 CO 0.09 0.00 0.20 -0.72 -0.69 0.00 0.00 174.62 173.51 2j1k s TYR 537 N 0.06 0.31 0.02 4.92 -0.85 -0.51 -5.00 117.35 116.30 2j1k s TYR 537 Ca -0.00 -0.72 -0.30 0.00 -0.52 0.00 0.00 57.07 55.53 2j1k s TYR 537 Cb -0.01 -0.10 -0.05 0.00 0.38 0.00 0.00 41.96 42.18 2j1k s TYR 537 CO -0.00 -0.60 1.23 0.08 -1.52 0.00 0.00 175.55 174.74 2j1k s VAL 538 N -3.92 4.05 0.62 -3.49 1.01 -1.26 -0.18 120.40 117.23 2j1k s VAL 538 Ca 0.11 1.45 -0.11 0.00 0.00 0.00 0.00 61.98 63.42 2j1k s VAL 538 Cb 0.05 -3.93 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 2j1k s VAL 538 CO -0.06 0.06 1.03 -0.83 0.00 0.00 0.00 175.10 175.30 2j1k s GLY 539 N 1.28 1.68 0.52 4.51 0.00 -0.20 -1.09 107.32 114.02 2j1k s GLY 539 Ca 0.59 -0.08 -0.19 0.00 0.00 0.00 0.00 44.72 45.04 2j1k s GLY 539 CO 0.27 0.19 1.04 1.85 0.00 0.00 0.00 173.10 176.45 2j1k s GLU 540 N -5.13 3.65 0.24 2.90 2.56 0.05 -4.24 118.70 118.73 2j1k s GLU 540 Ca 0.55 1.29 -0.22 0.00 0.00 0.00 0.00 54.97 56.59 2j1k s GLU 540 Cb -0.11 -2.08 -0.09 0.00 2.00 0.00 0.00 34.13 33.86 2j1k s GLU 540 CO 0.53 -0.55 0.78 -0.80 -0.56 0.00 0.00 175.26 174.66 2j1k s ASN 541 N -2.31 7.16 0.00 -1.70 0.01 -1.26 -4.44 114.94 112.41 2j1k s ASN 541 Ca 0.66 1.54 0.00 0.00 -0.71 0.00 0.00 52.86 54.35 2j1k s ASN 541 Cb -0.16 -2.46 0.00 0.00 0.41 0.00 0.00 41.25 39.04 2j1k s ASN 541 CO 0.26 0.03 0.35 0.00 -1.51 0.00 0.00 177.10 176.23