#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 1.89 -0.28 0.00 0.04 -1.26 -4.93 135.00 130.46 2j1k s PRO 362 Ca 0.00 0.55 -0.22 0.00 0.04 0.00 0.00 61.00 61.37 2j1k s PRO 362 Cb 0.00 -1.90 0.09 0.00 0.04 0.00 0.00 34.50 32.72 2j1k s PRO 362 CO 0.00 -1.74 0.78 -1.50 0.04 0.00 0.00 177.00 174.59 2j1k s ILE 363 N -3.19 0.00 -0.09 0.56 -1.16 -0.40 -5.01 121.20 111.90 2j1k s ILE 363 Ca 0.61 0.00 0.04 0.00 -0.51 0.00 0.00 60.65 60.79 2j1k s ILE 363 Cb -0.14 -1.00 0.00 0.00 0.61 0.00 0.00 42.46 41.93 2j1k s ILE 363 CO 0.54 0.00 -0.22 -0.89 -2.81 0.00 0.00 174.94 171.55 2j1k s THR 364 N 0.73 1.92 -0.06 4.00 2.01 -1.26 -0.25 115.64 122.73 2j1k s THR 364 Ca -0.03 -0.94 0.02 0.00 0.31 0.00 0.00 61.69 61.05 2j1k s THR 364 Cb -0.05 -1.67 -0.03 0.00 0.01 0.00 0.00 72.50 70.77 2j1k s THR 364 CO -0.06 0.53 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.53 2j1k s LEU 365 N 0.34 2.94 0.27 4.42 1.43 0.12 -1.18 118.68 127.02 2j1k s LEU 365 Ca -0.17 -0.12 -0.21 0.00 -1.03 0.00 0.00 54.13 52.61 2j1k s LEU 365 Cb -0.17 -1.62 0.04 0.00 0.03 0.00 0.00 46.19 44.47 2j1k s LEU 365 CO 0.08 0.35 0.82 -1.66 0.23 0.00 0.00 176.35 176.17 2j1k s TRP 366 N -0.74 -0.08 -0.94 0.29 1.48 0.54 0.00 118.94 119.49 2j1k s TRP 366 Ca 0.11 -0.39 0.27 0.00 -1.06 0.00 0.00 56.10 55.03 2j1k s TRP 366 Cb -0.11 0.72 0.86 0.00 -1.16 0.00 0.00 33.47 33.79 2j1k s TRP 366 CO 0.01 -1.19 1.68 0.25 -4.06 0.00 0.00 176.95 173.64 2j1k n THR 367 N -0.50 0.09 0.00 0.66 -2.24 -0.79 -1.61 114.28 109.89 2j1k n THR 367 Ca -0.05 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 2j1k n THR 367 Cb 0.60 -0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.62 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 1.47 -1.46 3.88 3.38 0.00 -1.26 -4.69 105.19 106.51 2j1k n GLY 368 Ca 0.06 -1.57 -0.30 0.00 0.00 0.00 0.00 46.02 44.21 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 -1.81 2.84 -1.04 1.61 0.04 -1.26 -4.13 135.00 131.25 2j1k s PRO 369 Ca 0.00 0.46 -0.17 0.00 0.04 0.00 0.00 61.00 61.33 2j1k s PRO 369 Cb 0.00 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.52 2j1k s PRO 369 CO 0.00 -1.05 0.73 0.41 0.04 0.00 0.00 177.00 177.14 2j1k n GLY 370 N -3.01 -1.06 3.74 0.56 0.00 -1.26 -4.88 105.19 99.27 2j1k n GLY 370 Ca 0.07 0.47 -0.36 0.00 0.00 0.00 0.00 46.02 46.20 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 -5.65 2.67 0.88 1.61 0.04 -1.26 -5.02 135.00 128.27 2j1k s PRO 371 Ca 0.34 1.89 -0.14 0.00 0.04 0.00 0.00 61.00 63.13 2j1k s PRO 371 Cb -0.13 -1.88 0.13 0.00 0.04 0.00 0.00 34.50 32.66 2j1k s PRO 371 CO 0.87 -1.46 1.24 -1.54 0.04 0.00 0.00 177.00 176.15 2j1k s SER 372 N -1.63 3.86 -0.54 6.66 1.04 -1.26 -4.84 113.70 116.99 2j1k s SER 372 Ca 0.78 0.58 -0.28 0.00 0.48 0.00 0.00 55.95 57.51 2j1k s SER 372 Cb -0.32 -0.89 0.01 0.00 0.10 0.00 0.00 66.02 64.92 2j1k s SER 372 CO 0.38 -2.30 1.47 -0.63 0.98 0.00 0.00 173.24 173.14 2j1k s ILE 373 N -3.69 3.74 0.00 -1.02 1.01 -1.26 -3.93 121.20 116.06 2j1k s ILE 373 Ca 0.67 0.64 0.00 0.00 0.00 0.00 0.00 60.65 61.96 2j1k s ILE 373 Cb -0.08 -4.33 0.00 0.00 0.01 0.00 0.00 42.46 38.06 2j1k s ILE 373 CO 0.51 -1.07 0.34 -0.46 0.00 0.00 0.00 174.94 174.26 2j1k n ASN 374 N 9.81 0.57 -4.34 3.58 0.23 -0.90 -4.89 115.26 119.32 2j1k n ASN 374 Ca 0.14 -1.10 -0.41 0.00 -0.53 0.00 0.00 54.58 52.68 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 -0.10 1.98 0.06 4.83 0.00 0.11 -4.24 107.32 109.95 2j1k s GLY 375 Ca 0.00 -1.99 -0.28 0.00 0.00 0.00 0.00 44.72 42.45 2j1k s GLY 375 CO 0.00 0.95 0.87 -1.36 0.00 0.00 0.00 173.10 173.56 2j1k s PHE 376 N 1.53 3.74 -0.07 1.90 0.08 -0.69 -0.65 117.98 123.81 2j1k s PHE 376 Ca 0.03 1.62 0.01 0.00 0.12 0.00 0.00 56.93 58.70 2j1k s PHE 376 Cb -0.22 -2.95 0.02 0.00 -0.57 0.00 0.00 43.02 39.30 2j1k s PHE 376 CO 0.05 0.19 -0.08 0.42 -0.10 0.00 0.00 175.22 175.71 2j1k s ILE 377 N 0.19 0.87 -1.38 0.64 1.01 0.67 -4.83 121.20 118.37 2j1k s ILE 377 Ca 0.44 -0.27 -0.00 0.00 0.00 0.00 0.00 60.65 60.81 2j1k s ILE 377 Cb -0.21 -0.87 -0.00 0.00 0.01 0.00 0.00 42.46 41.39 2j1k s ILE 377 CO 0.26 0.32 0.47 0.59 0.00 0.00 0.00 174.94 176.58 2j1k n ASN 378 N 4.33 -0.52 -0.53 3.58 5.03 -1.26 -2.07 115.26 123.82 2j1k n ASN 378 Ca -0.19 -0.97 -0.07 0.00 0.87 0.00 0.00 54.58 54.22 2j1k n ASN 378 Cb 0.51 -3.24 -0.03 0.00 -1.02 0.00 0.00 39.78 35.99 2j1k n ASN 378 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 2j1k n ASP 379 N -3.00 -4.82 -4.07 6.41 8.00 -1.26 -5.00 116.55 112.81 2j1k n ASP 379 Ca -0.31 0.17 -0.27 0.00 0.71 0.00 0.00 54.79 55.09 2j1k n ASP 379 Cb 0.68 -2.93 -0.17 0.00 -0.02 0.00 0.00 41.12 38.69 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 -1.93 1.43 -0.35 -3.53 2.01 -0.88 -5.09 115.64 107.31 2j1k s THR 380 Ca 0.00 -0.64 -0.29 0.00 0.31 0.00 0.00 61.69 61.08 2j1k s THR 380 Cb 0.00 -1.28 -0.00 0.00 0.01 0.00 0.00 72.50 71.22 2j1k s THR 380 CO 0.00 0.42 1.48 -2.16 -0.69 0.00 0.00 174.62 173.67 2j1k s PRO 381 N 0.68 3.65 0.00 4.92 0.04 -1.26 -0.24 135.00 142.79 2j1k s PRO 381 Ca -0.13 1.19 0.00 0.00 0.04 0.00 0.00 61.00 62.10 2j1k s PRO 381 Cb -0.16 -4.02 0.00 0.00 0.04 0.00 0.00 34.50 30.36 2j1k s PRO 381 CO 0.03 -1.47 0.00 1.33 0.04 0.00 0.00 177.00 176.94 2j1k n VAL 382 N 6.84 0.00 -4.49 -0.36 0.24 0.17 -4.90 118.33 115.83 2j1k n VAL 382 Ca 0.17 -0.14 -0.34 0.00 -2.04 0.00 0.00 64.34 62.00 2j1k n VAL 382 Cb 0.47 0.61 -0.13 0.00 -1.47 0.00 0.00 33.84 33.32 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 -1.23 3.58 -0.42 1.34 -1.09 -0.74 0.67 121.20 123.31 2j1k s ILE 383 Ca 0.00 -0.47 -0.17 0.00 -2.23 0.00 0.00 60.65 57.79 2j1k s ILE 383 Cb 0.00 -2.56 0.02 0.00 -1.58 0.00 0.00 42.46 38.35 2j1k s ILE 383 CO 0.00 0.50 0.42 -0.60 -1.23 0.00 0.00 174.94 174.02 2j1k s ARG 384 N 0.44 3.07 -0.21 2.79 3.52 0.89 0.07 118.95 129.53 2j1k s ARG 384 Ca -0.06 -0.81 -0.05 0.00 -0.13 0.00 0.00 55.73 54.68 2j1k s ARG 384 Cb -0.15 -3.97 -0.02 0.00 -1.56 0.00 0.00 34.95 29.25 2j1k s ARG 384 CO 0.03 -0.84 0.01 0.00 -0.81 0.00 0.00 175.30 173.69 2j1k s PHE 386 N 1.17 3.26 -0.05 0.00 5.36 0.84 -4.76 117.98 123.80 2j1k s PHE 386 Ca 0.03 0.59 0.01 0.00 -0.96 0.00 0.00 56.93 56.60 2j1k s PHE 386 Cb -0.14 -2.69 0.02 0.00 -0.34 0.00 0.00 43.02 39.87 2j1k s PHE 386 CO 0.01 -0.27 -0.07 0.42 -1.46 0.00 0.00 175.22 173.86 2j1k s ILE 387 N 2.25 0.73 -0.10 3.12 1.01 -1.26 -1.37 121.20 125.59 2j1k s ILE 387 Ca 0.20 -0.23 -0.00 0.00 0.00 0.00 0.00 60.65 60.61 2j1k s ILE 387 Cb -0.16 -0.73 0.02 0.00 0.01 0.00 0.00 42.46 41.61 2j1k s ILE 387 CO 0.09 0.27 -0.06 0.00 0.00 0.00 0.00 174.94 175.24 2j1k s LEU 389 N 1.63 4.61 -0.28 0.00 1.43 0.10 -1.19 118.68 124.97 2j1k s LEU 389 Ca 0.02 -1.42 -0.05 0.00 -1.03 0.00 0.00 54.13 51.66 2j1k s LEU 389 Cb -0.13 -1.86 0.02 0.00 0.03 0.00 0.00 46.19 44.25 2j1k s LEU 389 CO -0.06 -0.40 0.02 -0.89 0.23 0.00 0.00 176.35 175.25 2j1k s THR 390 N 1.33 3.49 -0.23 5.49 2.01 -0.41 -0.70 115.64 126.61 2j1k s THR 390 Ca 0.01 -0.86 -0.16 0.00 0.31 0.00 0.00 61.69 60.98 2j1k s THR 390 Cb -0.21 -2.80 -0.03 0.00 0.01 0.00 0.00 72.50 69.46 2j1k s THR 390 CO 0.01 0.11 0.43 -0.60 -0.69 0.00 0.00 174.62 173.88 2j1k s ARG 391 N 1.42 4.11 0.00 4.92 6.06 0.65 -0.85 118.95 135.25 2j1k s ARG 391 Ca 0.01 0.21 0.00 0.00 -2.50 0.00 0.00 55.73 53.45 2j1k s ARG 391 Cb -0.17 -3.60 0.00 0.00 0.06 0.00 0.00 34.95 31.24 2j1k s ARG 391 CO -0.00 -0.19 0.00 -0.25 -2.50 0.00 0.00 175.30 172.35 2j1k n ASP 392 N 5.01 0.00 -0.08 -2.12 8.00 -0.95 -1.28 116.55 125.12 2j1k n ASP 392 Ca -0.07 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.32 2j1k n ASP 392 Cb 0.51 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.56 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 0.41 0.00 -2.24 4.64 -1.97 -3.42 113.55 110.98 2j1k h SER 393 Ca 0.00 -0.29 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 2j1k h SER 393 Cb 0.00 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 61.98 2j1k h SER 393 CO 0.00 0.60 -0.23 -3.20 -0.87 0.00 0.00 176.83 173.13 2j1k n ASN 394 N -4.65 0.88 -4.90 4.97 5.15 -1.26 -5.02 115.26 110.43 2j1k n ASN 394 Ca -0.03 0.00 -0.31 0.00 -0.60 0.00 0.00 54.58 53.63 2j1k n ASN 394 Cb 0.23 0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 39.43 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 -3.54 4.26 -0.20 1.20 1.43 -1.26 -0.76 118.68 119.81 2j1k s LEU 395 Ca 0.00 0.59 -0.07 0.00 -1.03 0.00 0.00 54.13 53.62 2j1k s LEU 395 Cb 0.00 -3.32 -0.04 0.00 0.03 0.00 0.00 46.19 42.87 2j1k s LEU 395 CO 0.00 0.04 0.05 -0.69 0.23 0.00 0.00 176.35 175.99 2j1k s VAL 396 N -1.68 4.52 -0.18 -1.59 1.01 0.86 -2.25 120.40 121.10 2j1k s VAL 396 Ca 0.41 -0.12 -0.14 0.00 0.00 0.00 0.00 61.98 62.13 2j1k s VAL 396 Cb -0.12 -3.06 -0.04 0.00 0.00 0.00 0.00 36.38 33.16 2j1k s VAL 396 CO 0.25 0.42 0.30 -0.89 0.00 0.00 0.00 175.10 175.18 2j1k s THR 397 N 0.78 5.29 -0.35 3.92 2.01 -0.03 -1.95 115.64 125.32 2j1k s THR 397 Ca 0.03 0.55 -0.14 0.00 0.31 0.00 0.00 61.69 62.43 2j1k s THR 397 Cb -0.14 -3.64 -0.01 0.00 0.01 0.00 0.00 72.50 68.72 2j1k s THR 397 CO 0.02 0.35 0.31 -0.69 -0.69 0.00 0.00 174.62 173.92 2j1k s VAL 398 N 0.75 5.22 -0.19 3.82 1.01 0.31 -1.29 120.40 130.04 2j1k s VAL 398 Ca 0.16 -0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.02 2j1k s VAL 398 Cb -0.13 -3.79 0.02 0.00 0.00 0.00 0.00 36.38 32.47 2j1k s VAL 398 CO 0.05 -0.08 -0.18 0.21 0.00 0.00 0.00 175.10 175.10 2j1k s ASN 399 N 1.73 3.31 0.01 3.32 3.84 -0.33 -0.29 114.94 126.52 2j1k s ASN 399 Ca 0.09 -0.61 -0.13 0.00 0.21 0.00 0.00 52.86 52.42 2j1k s ASN 399 Cb -0.17 -1.52 0.02 0.00 -0.55 0.00 0.00 41.25 39.03 2j1k s ASN 399 CO 0.11 -0.00 0.27 0.00 -2.79 0.00 0.00 177.10 174.68 2j1k s ALA 400 N 1.32 -0.63 0.03 1.71 0.00 -0.30 -0.50 121.76 123.39 2j1k s ALA 400 Ca 0.05 0.09 -0.11 0.00 0.00 0.00 0.00 51.96 51.99 2j1k s ALA 400 Cb -0.13 0.17 0.01 0.00 0.00 0.00 0.00 23.12 23.17 2j1k s ALA 400 CO -0.12 -0.30 0.24 -1.54 0.00 0.00 0.00 175.76 174.04 2j1k s SER 401 N -1.62 -0.04 -0.01 0.00 1.04 -0.47 0.23 113.70 112.82 2j1k s SER 401 Ca -0.11 -0.24 0.02 0.00 0.48 0.00 0.00 55.95 56.11 2j1k s SER 401 Cb -0.04 0.30 -0.01 0.00 0.10 0.00 0.00 66.02 66.38 2j1k s SER 401 CO 0.01 -0.54 -0.08 -0.36 0.98 0.00 0.00 173.24 173.25 2j1k s PHE 402 N -2.29 0.73 -0.14 5.02 0.08 -1.26 -0.11 117.98 120.00 2j1k s PHE 402 Ca -0.07 -0.14 -0.01 0.00 0.12 0.00 0.00 56.93 56.83 2j1k s PHE 402 Cb -0.02 -0.47 0.04 0.00 -0.57 0.00 0.00 43.02 41.99 2j1k s PHE 402 CO -0.02 -0.01 -0.04 0.08 -0.10 0.00 0.00 175.22 175.12 2j1k s VAL 403 N -0.18 0.95 0.42 -0.44 1.01 0.28 -1.04 120.40 121.41 2j1k s VAL 403 Ca 0.03 -0.44 -0.24 0.00 0.00 0.00 0.00 61.98 61.33 2j1k s VAL 403 Cb -0.03 -1.11 -0.08 0.00 0.00 0.00 0.00 36.38 35.15 2j1k s VAL 403 CO -0.00 0.18 1.10 -0.83 0.00 0.00 0.00 175.10 175.55 2j1k s GLY 404 N 1.71 2.76 0.14 4.51 0.00 0.05 -0.08 107.32 116.42 2j1k s GLY 404 Ca 0.02 0.80 0.06 0.00 0.00 0.00 0.00 44.72 45.60 2j1k s GLY 404 CO -0.08 1.24 -0.12 -0.54 0.00 0.00 0.00 173.10 173.60 2j1k s GLU 405 N -2.56 1.08 7.46 2.90 0.41 0.21 -3.87 118.70 124.33 2j1k s GLU 405 Ca 0.60 -1.37 0.00 0.00 -0.41 0.00 0.00 54.97 53.79 2j1k s GLU 405 Cb -0.25 -0.81 0.00 0.00 -1.78 0.00 0.00 34.13 31.29 2j1k s GLU 405 CO 0.31 0.13 0.00 0.41 -0.49 0.00 0.00 175.26 175.62 2j1k n GLY 406 N 0.11 3.70 0.10 -1.39 0.00 -1.26 -1.56 105.19 104.88 2j1k n GLY 406 Ca -0.12 0.22 0.12 0.00 0.00 0.00 0.00 46.02 46.23 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 -1.35 1.08 -0.02 0.00 -1.26 -2.73 105.19 100.91 2j1k n GLY 407 Ca 0.00 0.03 0.09 0.00 0.00 0.00 0.00 46.02 46.14 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 -2.10 0.82 -0.10 1.61 4.01 -0.60 -4.50 117.16 116.31 2j1k n TYR 408 Ca 0.03 -0.52 -0.06 0.00 -0.16 0.00 0.00 57.90 57.19 2j1k n TYR 408 Cb 0.27 -0.04 0.12 0.00 -0.31 0.00 0.00 39.34 39.38 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 3.29 0.78 -5.89 -0.72 2.43 -1.55 -3.34 114.38 109.38 2j1k h ARG 409 Ca 0.00 -0.27 -0.61 0.00 -0.81 0.00 0.00 59.98 58.29 2j1k h ARG 409 Cb 0.94 -0.06 -0.30 0.00 -0.42 0.00 0.00 29.97 30.13 2j1k h ARG 409 CO 0.03 0.87 -0.86 0.42 -1.51 0.00 0.00 179.97 178.92 2j1k s ILE 410 N -4.77 1.68 0.04 1.20 1.01 -1.26 -1.49 121.20 117.60 2j1k s ILE 410 Ca -0.09 -0.89 0.09 0.00 0.00 0.00 0.00 60.65 59.76 2j1k s ILE 410 Cb 0.14 -1.41 -0.03 0.00 0.01 0.00 0.00 42.46 41.17 2j1k s ILE 410 CO 0.82 0.47 -0.24 0.68 0.00 0.00 0.00 174.94 176.68 2j1k s VAL 411 N -0.32 2.33 0.31 2.92 -7.23 0.23 -4.89 120.40 113.75 2j1k s VAL 411 Ca 0.04 -1.32 0.08 0.00 -1.81 0.00 0.00 61.98 58.96 2j1k s VAL 411 Cb -0.10 -1.93 -0.03 0.00 0.56 0.00 0.00 36.38 34.88 2j1k s VAL 411 CO 0.01 0.36 0.20 -0.94 -0.31 0.00 0.00 175.10 174.42 2j1k s SER 412 N -1.28 5.09 0.62 4.85 1.04 -1.26 -0.84 113.70 121.92 2j1k s SER 412 Ca 0.12 -0.54 0.31 0.00 0.48 0.00 0.00 55.95 56.32 2j1k s SER 412 Cb -0.10 -0.98 1.68 0.00 0.10 0.00 0.00 66.02 66.71 2j1k s SER 412 CO 0.03 -0.23 2.03 -0.65 0.98 0.00 0.00 173.24 175.40 2j1k h PRO 413 N 1.45 0.00 -0.08 4.02 0.11 -1.77 -1.01 132.00 134.73 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 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 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 -3.47 0.09 -1.68 -1.15 -2.24 -1.26 -2.49 114.28 102.08 2j1k n THR 414 Ca 0.02 -0.31 -0.44 0.00 -2.27 0.00 0.00 64.05 61.04 2j1k n THR 414 Cb 0.40 0.52 -0.02 0.00 -2.10 0.00 0.00 70.33 69.13 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 0.33 2.06 -2.93 -0.78 -0.06 -0.38 -4.98 117.38 110.64 2j1k n GLN 415 Ca 0.18 0.73 -0.31 0.00 -2.00 0.00 0.00 57.00 55.60 2j1k n GLN 415 Cb 0.37 -2.38 -0.04 0.00 -4.06 0.00 0.00 30.24 24.13 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 0.18 6.61 0.44 1.69 1.04 -1.26 -4.66 113.70 117.73 2j1k s SER 416 Ca 0.66 1.20 -0.23 0.00 0.48 0.00 0.00 55.95 58.06 2j1k s SER 416 Cb -0.63 -2.35 -0.09 0.00 0.10 0.00 0.00 66.02 63.06 2j1k s SER 416 CO 0.52 -0.34 1.06 -1.10 0.98 0.00 0.00 173.24 174.35 2j1k s GLN 417 N -3.57 3.99 0.04 4.02 -0.21 -1.26 -5.02 119.66 117.66 2j1k s GLN 417 Ca 0.53 1.49 -0.14 0.00 0.02 0.00 0.00 55.36 57.25 2j1k s GLN 417 Cb -0.10 -2.37 0.02 0.00 1.00 0.00 0.00 33.01 31.56 2j1k s GLN 417 CO 0.27 -0.29 0.31 -0.59 -2.12 0.00 0.00 175.29 172.87 2j1k s PHE 418 N -1.76 -0.12 -0.00 0.91 -0.12 -1.13 -5.01 117.98 110.75 2j1k s PHE 418 Ca 0.62 -0.01 0.03 0.00 -0.05 0.00 0.00 56.93 57.52 2j1k s PHE 418 Cb -0.21 0.10 -0.03 0.00 -0.63 0.00 0.00 43.02 42.26 2j1k s PHE 418 CO 0.26 -0.51 -0.08 -1.12 -0.05 0.00 0.00 175.22 173.71 2j1k s SER 419 N -2.06 4.49 -0.33 1.98 0.01 -1.26 -1.33 113.70 115.21 2j1k s SER 419 Ca -0.05 -0.17 -0.01 0.00 1.31 0.00 0.00 55.95 57.04 2j1k s SER 419 Cb -0.01 -1.02 0.07 0.00 0.21 0.00 0.00 66.02 65.28 2j1k s SER 419 CO -0.03 0.29 0.04 -0.76 0.41 0.00 0.00 173.24 173.19 2j1k s LEU 420 N -1.32 4.29 -0.22 2.44 1.43 0.12 -4.95 118.68 120.48 2j1k s LEU 420 Ca 0.16 -1.60 -0.09 0.00 -1.03 0.00 0.00 54.13 51.57 2j1k s LEU 420 Cb -0.11 -1.71 -0.04 0.00 0.03 0.00 0.00 46.19 44.36 2j1k s LEU 420 CO 0.06 -0.34 0.11 -0.63 0.23 0.00 0.00 176.35 175.79 2j1k s ILE 421 N 1.15 5.06 -0.19 -0.59 1.01 -1.26 -0.93 121.20 125.46 2j1k s ILE 421 Ca -0.00 0.07 -0.12 0.00 0.00 0.00 0.00 60.65 60.60 2j1k s ILE 421 Cb -0.20 -3.33 -0.05 0.00 0.01 0.00 0.00 42.46 38.89 2j1k s ILE 421 CO -0.03 0.39 0.20 -0.04 0.00 0.00 0.00 174.94 175.46 2j1k s MET 422 N 0.81 4.21 -0.15 2.79 -1.94 0.13 -0.89 119.30 124.26 2j1k s MET 422 Ca 0.06 -0.09 -0.01 0.00 -1.71 0.00 0.00 55.69 53.94 2j1k s MET 422 Cb -0.13 -3.43 -0.01 0.00 2.01 0.00 0.00 34.83 33.27 2j1k s MET 422 CO 0.02 0.26 -0.12 -1.21 -0.01 0.00 0.00 175.02 173.96 2j1k s GLU 423 N 0.45 3.37 0.04 2.03 2.02 -1.26 -1.41 118.70 123.95 2j1k s GLU 423 Ca 0.12 -0.68 0.09 0.00 0.02 0.00 0.00 54.97 54.51 2j1k s GLU 423 Cb -0.12 -2.70 -0.03 0.00 0.10 0.00 0.00 34.13 31.39 2j1k s GLU 423 CO 0.01 0.13 -0.25 -0.06 0.02 0.00 0.00 175.26 175.11 2j1k s PHE 424 N 0.57 2.16 1.05 1.61 0.08 -0.20 0.34 117.98 123.59 2j1k s PHE 424 Ca -0.07 -0.40 -0.18 0.00 0.12 0.00 0.00 56.93 56.40 2j1k s PHE 424 Cb -0.15 -1.30 0.25 0.00 -0.57 0.00 0.00 43.02 41.25 2j1k s PHE 424 CO 0.03 0.11 1.23 -0.40 -0.10 0.00 0.00 175.22 176.09 2j1k n ASP 425 N 1.84 -0.66 0.10 1.36 5.68 -0.38 -1.61 116.55 122.87 2j1k n ASP 425 Ca -0.17 -1.36 0.10 0.00 -0.50 0.00 0.00 54.79 52.86 2j1k n ASP 425 Cb 0.52 -1.00 0.43 0.00 -1.14 0.00 0.00 41.12 39.94 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 -4.13 0.13 -0.27 0.11 0.00 -1.26 -1.90 117.38 110.06 2j1k n GLN 426 Ca 0.16 0.44 0.08 0.00 0.00 0.00 0.00 57.00 57.68 2j1k n GLN 426 Cb 0.57 -1.78 0.23 0.00 0.00 0.00 0.00 30.24 29.26 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 0.70 -0.97 2.61 3.72 -1.26 -4.91 117.46 115.32 2j1k n PHE 427 Ca 0.01 -0.50 0.00 0.00 -0.05 0.00 0.00 57.45 56.91 2j1k n PHE 427 Cb 0.16 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.68 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 1.01 0.46 3.72 1.37 0.00 -0.80 -3.02 105.19 107.93 2j1k n GLY 428 Ca 0.17 -0.95 -0.36 0.00 0.00 0.00 0.00 46.02 44.89 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 -1.95 4.19 0.17 1.61 -0.21 -1.26 -4.68 119.66 117.53 2j1k s GLN 429 Ca 0.00 -0.14 -0.33 0.00 0.02 0.00 0.00 55.36 54.91 2j1k s GLN 429 Cb 0.00 -3.44 -0.13 0.00 1.00 0.00 0.00 33.01 30.44 2j1k s GLN 429 CO 0.00 0.24 1.69 -0.11 -2.12 0.00 0.00 175.29 174.99 2j1k n LEU 430 N 3.69 3.66 -4.96 2.90 7.94 -1.26 -1.25 117.00 127.71 2j1k n LEU 430 Ca -0.15 1.06 -0.22 0.00 -1.11 0.00 0.00 56.01 55.59 2j1k n LEU 430 Cb 0.52 -1.51 0.04 0.00 0.53 0.00 0.00 43.42 43.00 2j1k n LEU 430 CO 0.37 0.00 0.40 -0.04 -1.11 0.00 0.00 177.39 177.02 2j1k s MET 431 N 1.37 2.55 0.02 1.96 -1.94 0.15 -4.45 119.30 118.96 2j1k s MET 431 Ca 0.78 -0.66 0.27 0.00 -1.71 0.00 0.00 55.69 54.37 2j1k s MET 431 Cb -0.57 -2.44 0.91 0.00 2.01 0.00 0.00 34.83 34.74 2j1k s MET 431 CO 0.36 -0.75 1.71 -1.13 -0.01 0.00 0.00 175.02 175.19 2j1k n SER 432 N -2.41 0.26 0.08 3.03 3.41 -1.26 -1.99 113.62 114.73 2j1k n SER 432 Ca 0.07 0.22 0.12 0.00 -0.26 0.00 0.00 58.87 59.02 2j1k n SER 432 Cb 0.60 -0.22 0.17 0.00 -0.26 0.00 0.00 64.21 64.50 2j1k n SER 432 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 2j1k h THR 433 N 0.00 0.00 -2.88 6.66 1.35 -1.91 -3.43 112.91 112.70 2j1k h THR 433 Ca 0.00 -0.57 -0.46 0.00 -0.55 0.00 0.00 66.41 64.83 2j1k h THR 433 Cb 0.52 1.20 0.12 0.00 -1.73 0.00 0.00 68.15 68.26 2j1k h THR 433 CO 0.00 0.00 0.24 -0.83 -0.25 0.00 0.00 175.52 174.68 2j1k s GLY 434 N -3.76 1.77 0.27 5.82 0.00 -1.26 -5.00 107.32 105.16 2j1k s GLY 434 Ca 0.06 -1.54 0.04 0.00 0.00 0.00 0.00 44.72 43.28 2j1k s GLY 434 CO 0.72 -0.88 1.65 3.43 0.00 0.00 0.00 173.10 178.02 2j1k h ASN 435 N -1.00 0.34 -3.33 1.64 4.21 -1.34 -3.38 115.58 112.72 2j1k h ASN 435 Ca -0.39 -0.15 -0.66 0.00 1.21 0.00 0.00 56.30 56.31 2j1k h ASN 435 Cb 1.25 -0.10 -0.28 0.00 -1.12 0.00 0.00 38.32 38.08 2j1k h ASN 435 CO 0.39 0.74 -0.75 -0.63 -1.29 0.00 0.00 177.43 175.88 2j1k s ILE 436 N -4.12 3.13 0.31 2.81 1.01 -0.99 -1.70 121.20 121.65 2j1k s ILE 436 Ca -0.05 -0.60 -0.03 0.00 0.00 0.00 0.00 60.65 59.97 2j1k s ILE 436 Cb 0.13 -2.38 0.01 0.00 0.01 0.00 0.00 42.46 40.24 2j1k s ILE 436 CO 0.79 0.47 0.46 -0.46 0.00 0.00 0.00 174.94 176.20 2j1k n ASN 437 N 4.33 -1.29 0.00 3.58 0.23 -1.26 -4.29 115.26 116.56 2j1k n ASN 437 Ca -0.18 -2.63 0.10 0.00 -0.53 0.00 0.00 54.58 51.33 2j1k n ASN 437 Cb 0.51 2.36 0.58 0.00 -2.08 0.00 0.00 39.78 41.16 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 -1.66 0.00 0.15 0.53 3.41 -0.84 -2.62 113.62 112.59 2j1k n SER 438 Ca -0.00 -1.28 0.13 0.00 -0.26 0.00 0.00 58.87 57.45 2j1k n SER 438 Cb 0.51 0.00 0.40 0.00 -0.26 0.00 0.00 64.21 64.86 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 -1.67 6.66 1.35 -1.90 -3.46 112.91 113.89 2j1k h THR 439 Ca 0.00 -0.55 -0.51 0.00 -0.55 0.00 0.00 66.41 64.80 2j1k h THR 439 Cb 0.00 1.50 -0.05 0.00 -1.73 0.00 0.00 68.15 67.87 2j1k h THR 439 CO 0.00 0.00 -0.43 0.42 -0.25 0.00 0.00 175.52 175.26 2j1k s THR 440 N -3.22 2.90 -0.12 6.82 -4.23 -1.08 -5.06 115.64 111.65 2j1k s THR 440 Ca 0.08 -1.45 -0.29 0.00 -1.18 0.00 0.00 61.69 58.85 2j1k s THR 440 Cb 0.10 -3.04 -0.06 0.00 1.34 0.00 0.00 72.50 70.83 2j1k s THR 440 CO 0.57 -0.07 2.03 -0.89 -0.54 0.00 0.00 174.62 175.72 2j1k s THR 441 N -2.44 3.12 -0.22 3.99 2.01 -1.26 -4.95 115.64 115.88 2j1k s THR 441 Ca 0.44 0.13 -0.18 0.00 0.31 0.00 0.00 61.69 62.39 2j1k s THR 441 Cb -0.03 -3.12 0.06 0.00 0.01 0.00 0.00 72.50 69.42 2j1k s THR 441 CO 0.26 -0.05 0.58 0.86 -0.69 0.00 0.00 174.62 175.58 2j1k s TRP 442 N 6.39 -0.73 -2.90 4.92 -0.11 -1.26 -4.44 118.94 120.81 2j1k s TRP 442 Ca 0.91 1.65 0.00 0.00 1.22 0.00 0.00 56.10 59.88 2j1k s TRP 442 Cb -0.35 0.32 0.00 0.00 -1.50 0.00 0.00 33.47 31.93 2j1k s TRP 442 CO 0.37 -0.36 0.00 0.41 -4.62 0.00 0.00 176.95 172.75 2j1k n GLY 443 N 3.33 -0.54 3.78 5.86 0.00 -0.63 -4.55 105.19 112.44 2j1k n GLY 443 Ca -0.17 -0.84 -0.39 0.00 0.00 0.00 0.00 46.02 44.62 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 -1.16 4.51 -0.38 1.61 2.12 0.80 -0.34 118.70 125.87 2j1k s GLU 444 Ca 0.00 1.08 -0.17 0.00 0.36 0.00 0.00 54.97 56.24 2j1k s GLU 444 Cb 0.00 -3.27 0.00 0.00 0.26 0.00 0.00 34.13 31.12 2j1k s GLU 444 CO 0.00 0.54 0.46 0.21 -0.54 0.00 0.00 175.26 175.93 2j1k s LYS 445 N -0.99 3.41 0.44 4.30 2.20 -0.32 -0.23 119.74 128.54 2j1k s LYS 445 Ca 0.35 -0.45 -0.24 0.00 -0.36 0.00 0.00 55.97 55.28 2j1k s LYS 445 Cb -0.22 -3.87 -0.08 0.00 -1.51 0.00 0.00 37.83 32.15 2j1k s LYS 445 CO 0.25 -0.71 1.19 -2.14 -0.36 0.00 0.00 175.35 173.58 2j1k s PRO 446 N 2.24 3.84 0.02 4.03 0.02 -1.26 -4.46 135.00 139.43 2j1k s PRO 446 Ca 0.15 1.87 -0.30 0.00 0.02 0.00 0.00 61.00 62.74 2j1k s PRO 446 Cb -0.16 -2.53 -0.08 0.00 0.02 0.00 0.00 34.50 31.76 2j1k s PRO 446 CO 0.13 -0.51 1.76 -0.46 -0.33 0.00 0.00 177.00 177.60 2j1k s TRP 447 N -1.45 1.89 0.00 6.54 -0.00 -1.26 -3.04 118.94 121.62 2j1k s TRP 447 Ca 0.61 0.01 0.00 0.00 -0.00 0.00 0.00 56.10 56.72 2j1k s TRP 447 Cb -0.31 -4.04 0.00 0.00 -0.00 0.00 0.00 33.47 29.11 2j1k s TRP 447 CO 0.38 -4.44 0.00 0.41 -0.00 0.00 0.00 176.95 173.30 2j1k n GLY 448 N 4.23 0.88 3.66 5.86 0.00 -1.26 -5.09 105.19 113.47 2j1k n GLY 448 Ca 0.18 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.80 0.03 -0.22 1.61 2.20 -1.17 -5.06 114.94 110.54 2j1k s ASN 449 Ca 0.00 -0.97 0.15 0.00 -0.94 0.00 0.00 52.86 51.09 2j1k s ASN 449 Cb 0.00 0.67 0.74 0.00 -2.00 0.00 0.00 41.25 40.66 2j1k s ASN 449 CO 0.00 -1.29 1.67 0.59 -2.94 0.00 0.00 177.10 175.13 2j1k n ASN 450 N -0.69 5.24 -4.82 3.54 3.02 -1.26 -4.43 115.26 115.85 2j1k n ASN 450 Ca -0.03 -2.97 -0.30 0.00 -0.03 0.00 0.00 54.58 51.25 2j1k n ASN 450 Cb 0.61 -0.65 0.07 0.00 -0.61 0.00 0.00 39.78 39.19 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 -2.80 3.62 -0.28 3.41 -4.23 -1.26 -4.56 115.64 109.55 2j1k s THR 451 Ca 0.51 0.53 -0.01 0.00 -1.18 0.00 0.00 61.69 61.54 2j1k s THR 451 Cb 0.40 -3.29 0.04 0.00 1.34 0.00 0.00 72.50 70.99 2j1k s THR 451 CO 0.14 -0.69 -0.04 -0.69 -0.54 0.00 0.00 174.62 172.81 2j1k s VAL 452 N -3.12 2.85 -0.37 2.29 1.01 -1.26 -4.32 120.40 117.50 2j1k s VAL 452 Ca 0.59 -1.28 -0.15 0.00 0.00 0.00 0.00 61.98 61.14 2j1k s VAL 452 Cb -0.14 -2.57 -0.00 0.00 0.00 0.00 0.00 36.38 33.66 2j1k s VAL 452 CO 0.54 0.01 0.34 -1.10 0.00 0.00 0.00 175.10 174.90 2j1k s GLN 453 N 1.26 3.38 0.00 2.72 -1.52 0.68 -4.82 119.66 121.37 2j1k s GLN 453 Ca -0.04 -0.61 0.29 0.00 -1.95 0.00 0.00 55.36 53.05 2j1k s GLN 453 Cb -0.19 -3.86 1.17 0.00 -0.22 0.00 0.00 33.01 29.91 2j1k s GLN 453 CO -0.03 -0.60 1.88 -0.35 -0.25 0.00 0.00 175.29 175.95 2j1k n PRO 454 N 5.33 0.01 -2.27 2.91 -0.04 -1.26 -0.14 135.00 139.54 2j1k n PRO 454 Ca -0.10 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.94 2j1k n PRO 454 Cb 0.49 -1.51 -0.02 0.00 -0.04 0.00 0.00 33.50 32.42 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 -3.00 3.76 0.48 0.54 3.52 -1.26 -4.96 118.95 118.03 2j1k s ARG 455 Ca 0.14 1.34 -0.24 0.00 -0.13 0.00 0.00 55.73 56.84 2j1k s ARG 455 Cb 0.19 -3.99 -0.07 0.00 -1.56 0.00 0.00 34.95 29.52 2j1k s ARG 455 CO 0.55 -1.32 1.33 -2.14 -0.81 0.00 0.00 175.30 172.90 2j1k s PRO 456 N 4.61 3.53 0.24 5.12 0.02 -1.26 -4.92 135.00 142.33 2j1k s PRO 456 Ca 0.64 2.18 0.10 0.00 0.02 0.00 0.00 61.00 63.95 2j1k s PRO 456 Cb -0.19 -2.47 -0.05 0.00 0.02 0.00 0.00 34.50 31.81 2j1k s PRO 456 CO 0.28 -0.86 -0.19 0.45 -0.33 0.00 0.00 177.00 176.35 2j1k s SER 457 N -0.88 3.20 0.52 2.53 0.15 -1.26 -5.02 113.70 112.94 2j1k s SER 457 Ca 0.65 -0.99 0.19 0.00 0.70 0.00 0.00 55.95 56.50 2j1k s SER 457 Cb -0.39 -0.24 1.29 0.00 -1.71 0.00 0.00 66.02 64.98 2j1k s SER 457 CO 0.48 -0.01 2.08 1.12 1.20 0.00 0.00 173.24 178.11 2j1k h HIS 458 N 2.57 0.03 0.00 3.44 2.07 -1.96 -2.66 115.15 118.64 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 1.24 -0.01 0.00 0.00 2.57 0.00 0.00 27.41 31.21 2j1k h HIS 458 CO 0.76 0.02 0.00 1.79 -3.07 0.00 0.00 177.93 177.42 2j1k h THR 459 N 0.03 0.00 0.00 6.12 1.35 -1.95 -3.16 112.91 115.30 2j1k h THR 459 Ca 0.11 -0.17 -0.02 0.00 -0.55 0.00 0.00 66.41 65.78 2j1k h THR 459 Cb 0.39 1.00 -0.00 0.00 -1.73 0.00 0.00 68.15 67.80 2j1k h THR 459 CO -0.01 0.00 -0.08 -0.50 -0.25 0.00 0.00 175.52 174.68 2j1k h TRP 460 N 0.00 0.00 -0.06 4.73 4.06 -1.70 -1.30 115.95 121.68 2j1k h TRP 460 Ca 0.00 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 60.91 2j1k h TRP 460 Cb 0.19 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.34 2j1k h TRP 460 CO 0.00 0.08 -0.14 -0.22 -3.56 0.00 0.00 178.44 174.60 2j1k h LYS 461 N 0.00 0.08 -0.01 0.49 3.64 -1.50 -2.59 116.57 116.68 2j1k h LYS 461 Ca -0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2j1k h LYS 461 Cb 0.17 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.98 2j1k h LYS 461 CO 0.01 0.23 0.08 -0.07 -2.27 0.00 0.00 179.45 177.42 2j1k h LEU 462 N 0.08 0.00 -0.24 5.20 3.38 -1.46 0.44 115.31 122.71 2j1k h LEU 462 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2j1k h LEU 462 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2j1k h LEU 462 CO 0.02 0.00 -0.15 0.00 0.09 0.00 0.00 178.44 178.40 2j1k s MET 464 N -2.54 4.03 -0.21 0.00 -1.94 0.14 -4.90 119.30 113.88 2j1k s MET 464 Ca 0.26 0.64 -0.29 0.00 -1.71 0.00 0.00 55.69 54.59 2j1k s MET 464 Cb 0.20 -2.63 -0.03 0.00 2.01 0.00 0.00 34.83 34.38 2j1k s MET 464 CO 0.50 0.27 1.66 -1.25 -0.01 0.00 0.00 175.02 176.19 2j1k s PRO 465 N -2.60 3.78 -0.42 2.03 0.04 -1.26 -0.11 135.00 136.46 2j1k s PRO 465 Ca 0.49 1.71 -0.38 0.00 0.04 0.00 0.00 61.00 62.86 2j1k s PRO 465 Cb -0.12 -4.06 -0.16 0.00 0.04 0.00 0.00 34.50 30.19 2j1k s PRO 465 CO 0.19 -1.32 1.52 -1.71 0.04 0.00 0.00 177.00 175.71 2j1k n ASN 466 N 8.57 0.86 0.26 6.66 2.85 -0.24 -4.73 115.26 129.49 2j1k n ASN 466 Ca 0.19 0.83 0.17 0.00 -0.11 0.00 0.00 54.58 55.66 2j1k n ASN 466 Cb 0.45 -0.74 0.68 0.00 1.24 0.00 0.00 39.78 41.40 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 5.50 0.00 0.11 1.20 0.11 -1.90 0.13 114.38 119.54 2j1k h ARG 467 Ca -0.26 0.00 -0.21 0.00 0.10 0.00 0.00 59.98 59.61 2j1k h ARG 467 Cb 1.16 0.00 0.01 0.00 1.11 0.00 0.00 29.97 32.25 2j1k h ARG 467 CO 0.86 0.00 -1.01 0.93 0.10 0.00 0.00 179.97 180.85 2j1k h GLU 468 N 0.00 0.24 -0.50 0.08 5.08 -1.98 -2.96 114.58 114.53 2j1k h GLU 468 Ca 0.00 -0.41 -0.08 0.00 -1.00 0.00 0.00 59.36 57.87 2j1k h GLU 468 Cb 0.46 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 2j1k h GLU 468 CO 0.00 1.20 -0.01 0.28 -1.00 0.00 0.00 179.01 179.48 2j1k h VAL 469 N -0.43 1.25 -2.11 3.13 2.07 -1.89 -3.27 116.25 115.00 2j1k h VAL 469 Ca -0.20 -1.05 -0.64 0.00 0.82 0.00 0.00 66.70 65.62 2j1k h VAL 469 Cb 1.62 0.88 -0.38 0.00 -1.52 0.00 0.00 31.29 31.88 2j1k h VAL 469 CO 0.08 0.37 -0.25 -1.22 0.02 0.00 0.00 177.57 176.58 2j1k n TYR 470 N -4.20 3.64 0.40 1.57 4.01 0.44 -4.75 117.16 118.27 2j1k n TYR 470 Ca 0.03 -3.46 0.12 0.00 -0.16 0.00 0.00 57.90 54.42 2j1k n TYR 470 Cb 0.32 -0.58 0.15 0.00 -0.31 0.00 0.00 39.34 38.92 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 3.13 0.00 -2.39 7.72 4.64 -1.57 -3.43 113.55 121.64 2j1k h SER 471 Ca 0.26 -0.10 -0.61 0.00 -0.47 0.00 0.00 61.79 60.88 2j1k h SER 471 Cb 0.52 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.47 2j1k h SER 471 CO 0.93 0.05 -0.76 0.42 -0.87 0.00 0.00 176.83 176.60 2j1k s THR 472 N -3.22 2.55 0.51 2.95 -4.23 -1.26 -5.08 115.64 107.86 2j1k s THR 472 Ca 0.05 -2.29 -0.23 0.00 -1.18 0.00 0.00 61.69 58.04 2j1k s THR 472 Cb 0.11 -2.32 -0.06 0.00 1.34 0.00 0.00 72.50 71.57 2j1k s THR 472 CO 0.72 -0.34 1.39 -2.84 -0.54 0.00 0.00 174.62 173.00 2j1k s PRO 473 N -3.37 3.33 0.17 3.99 0.02 -1.26 -4.95 135.00 132.93 2j1k s PRO 473 Ca 0.28 2.32 0.10 0.00 0.02 0.00 0.00 61.00 63.73 2j1k s PRO 473 Cb -0.06 -2.40 -0.04 0.00 0.02 0.00 0.00 34.50 32.02 2j1k s PRO 473 CO 0.15 -1.07 -0.22 0.00 -0.33 0.00 0.00 177.00 175.53 2j1k s ALA 474 N -1.26 2.29 0.04 -1.55 0.00 -0.85 -4.97 121.76 115.47 2j1k s ALA 474 Ca 0.68 -1.55 0.01 0.00 0.00 0.00 0.00 51.96 51.11 2j1k s ALA 474 Cb -0.42 -0.28 -0.02 0.00 0.00 0.00 0.00 23.12 22.40 2j1k s ALA 474 CO 0.51 0.37 -0.06 0.00 0.00 0.00 0.00 175.76 176.58 2j1k s ALA 475 N -1.71 0.47 -0.17 0.00 0.00 -1.26 0.09 121.76 119.18 2j1k s ALA 475 Ca 0.17 -0.77 -0.03 0.00 0.00 0.00 0.00 51.96 51.34 2j1k s ALA 475 Cb -0.08 0.09 0.05 0.00 0.00 0.00 0.00 23.12 23.19 2j1k s ALA 475 CO 0.08 -0.08 0.03 0.99 0.00 0.00 0.00 175.76 176.78 2j1k s THR 476 N -1.61 0.52 -0.22 0.00 2.01 -0.22 -5.00 115.64 111.12 2j1k s THR 476 Ca -0.10 -0.46 -0.14 0.00 0.31 0.00 0.00 61.69 61.30 2j1k s THR 476 Cb -0.09 -0.96 -0.04 0.00 0.01 0.00 0.00 72.50 71.42 2j1k s THR 476 CO -0.01 -0.13 0.32 -0.51 -0.69 0.00 0.00 174.62 173.61 2j1k s ILE 477 N 1.87 5.25 0.20 1.82 2.07 -1.26 -0.80 121.20 130.34 2j1k s ILE 477 Ca 0.00 0.53 0.03 0.00 -1.41 0.00 0.00 60.65 59.80 2j1k s ILE 477 Cb -0.16 -3.66 -0.05 0.00 0.13 0.00 0.00 42.46 38.72 2j1k s ILE 477 CO -0.08 0.28 -0.01 -0.94 -1.91 0.00 0.00 174.94 172.28 2j1k s SER 478 N 1.08 1.55 0.52 4.50 1.04 -0.83 -4.98 113.70 116.58 2j1k s SER 478 Ca 0.15 -1.18 -0.22 0.00 0.48 0.00 0.00 55.95 55.18 2j1k s SER 478 Cb -0.14 0.06 -0.06 0.00 0.10 0.00 0.00 66.02 65.97 2j1k s SER 478 CO 0.07 -0.52 1.26 -1.14 0.98 0.00 0.00 173.24 173.89 2j1k n ARG 479 N -0.32 1.61 -3.51 4.02 0.63 -1.26 -1.27 116.66 116.55 2j1k n ARG 479 Ca -0.06 0.59 -0.29 0.00 -0.92 0.00 0.00 57.85 57.17 2j1k n ARG 479 Cb 0.63 -2.44 -0.13 0.00 0.45 0.00 0.00 32.46 30.97 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 1.39 2.99 -0.13 0.00 0.00 -1.26 -0.01 107.32 110.30 2j1k s GLY 481 Ca 0.15 1.26 -0.01 0.00 0.00 0.00 0.00 44.72 46.11 2j1k s GLY 481 CO -0.12 1.91 -0.09 1.08 0.00 0.00 0.00 173.10 175.88 2j1k s LEU 482 N -1.77 2.98 -1.50 0.66 1.43 0.00 -0.41 118.68 120.08 2j1k s LEU 482 Ca 0.49 -0.21 -0.10 0.00 -1.03 0.00 0.00 54.13 53.27 2j1k s LEU 482 Cb -0.40 -1.68 0.07 0.00 0.03 0.00 0.00 46.19 44.21 2j1k s LEU 482 CO 0.53 0.19 0.86 -0.67 0.23 0.00 0.00 176.35 177.49 2j1k n ASP 483 N 3.34 -3.53 0.14 2.29 2.03 0.63 -4.81 116.55 116.63 2j1k n ASP 483 Ca -0.18 -0.83 0.00 0.00 0.52 0.00 0.00 54.79 54.30 2j1k n ASP 483 Cb 0.53 -3.73 0.28 0.00 -0.72 0.00 0.00 41.12 37.47 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 -1.96 0.11 -0.15 1.67 0.02 -1.85 -1.04 113.55 110.36 2j1k h SER 484 Ca -0.59 -0.05 -0.08 0.00 -0.84 0.00 0.00 61.79 60.23 2j1k h SER 484 Cb 1.37 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 63.88 2j1k h SER 484 CO 0.66 0.52 -0.22 0.40 -1.14 0.00 0.00 176.83 177.05 2j1k h ILE 485 N 0.09 1.36 -0.02 3.27 2.04 -1.96 1.00 117.51 123.29 2j1k h ILE 485 Ca 0.01 -1.44 -0.15 0.00 1.00 0.00 0.00 64.86 64.28 2j1k h ILE 485 Cb 0.77 1.93 -0.02 0.00 -0.74 0.00 0.00 36.82 38.77 2j1k h ILE 485 CO 0.06 0.43 -0.67 0.00 0.00 0.00 0.00 178.15 177.96 2j1k h ALA 486 N 0.58 0.85 -0.47 1.87 0.00 -1.84 -2.72 119.26 117.54 2j1k h ALA 486 Ca 0.02 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.32 2j1k h ALA 486 Cb 0.79 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2j1k h ALA 486 CO 0.05 0.82 0.00 1.33 0.00 0.00 0.00 179.25 181.45 2j1k n VAL 487 N -3.77 0.61 -4.04 0.00 0.24 -0.43 -4.97 118.33 105.97 2j1k n VAL 487 Ca -0.02 -0.74 -0.28 0.00 -2.04 0.00 0.00 64.34 61.26 2j1k n VAL 487 Cb 0.66 0.68 -0.03 0.00 -1.47 0.00 0.00 33.84 33.68 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 1.30 -1.01 -1.78 -1.34 2.03 -0.73 -2.55 116.55 112.47 2j1k n ASP 488 Ca 0.20 -1.02 -0.16 0.00 0.52 0.00 0.00 54.79 54.32 2j1k n ASP 488 Cb 0.55 -2.90 -0.02 0.00 -0.72 0.00 0.00 41.12 38.03 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 -1.89 -0.07 3.69 0.27 0.00 0.27 -4.93 105.19 102.54 2j1k n GLY 489 Ca -0.22 -0.21 -0.44 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.41 1.93 -0.33 4.61 0.00 -1.06 -4.87 120.51 119.37 2j1k n ALA 490 Ca -0.19 0.38 0.20 0.00 0.00 0.00 0.00 53.44 53.83 2j1k n ALA 490 Cb 0.63 -2.48 0.44 0.00 0.00 0.00 0.00 19.45 18.05 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 7.17 0.49 -0.88 0.00 0.11 -1.92 -1.48 132.00 135.49 2j1k h PRO 491 Ca -0.45 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.55 2j1k h PRO 491 Cb 1.23 -0.11 -0.05 0.00 0.11 0.00 0.00 31.00 32.19 2j1k h PRO 491 CO 0.93 0.32 0.10 -1.13 -0.21 0.00 0.00 178.00 178.01 2j1k n SER 492 N -4.74 3.21 -0.49 -2.05 3.41 -1.26 -3.65 113.62 108.05 2j1k n SER 492 Ca 0.26 -2.52 0.07 0.00 -0.26 0.00 0.00 58.87 56.42 2j1k n SER 492 Cb 0.80 -0.61 0.19 0.00 -0.26 0.00 0.00 64.21 64.32 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 0.11 1.76 -4.65 4.33 5.12 -0.56 -1.57 116.66 121.21 2j1k n ARG 493 Ca 0.17 -2.85 -0.31 0.00 -1.93 0.00 0.00 57.85 52.93 2j1k n ARG 493 Cb 0.80 -1.64 -0.12 0.00 -1.16 0.00 0.00 32.46 30.34 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 -2.70 4.00 0.00 0.55 0.01 -1.24 -0.82 113.70 113.50 2j1k s SER 494 Ca 0.37 -0.34 0.00 0.00 1.31 0.00 0.00 55.95 57.29 2j1k s SER 494 Cb 0.33 -0.74 0.00 0.00 0.21 0.00 0.00 66.02 65.82 2j1k s SER 494 CO 0.02 0.27 0.00 2.30 0.41 0.00 0.00 173.24 176.24 2j1k n ILE 495 N 1.64 0.00 -4.29 1.44 -5.35 0.98 -4.44 119.36 109.34 2j1k n ILE 495 Ca -0.16 0.00 -0.31 0.00 -0.27 0.00 0.00 62.75 62.01 2j1k n ILE 495 Cb 0.52 -0.34 -0.09 0.00 -1.74 0.00 0.00 39.64 37.99 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 -0.99 4.68 -0.14 7.28 1.01 -0.45 0.19 116.67 128.26 2j1k s ASP 496 Ca 0.00 -0.22 0.00 0.00 0.71 0.00 0.00 52.55 53.04 2j1k s ASP 496 Cb 0.00 -1.05 0.03 0.00 1.01 0.00 0.00 42.92 42.91 2j1k s ASP 496 CO 0.00 0.22 -0.10 0.00 0.21 0.00 0.00 175.17 175.49 2j1k s MET 498 N 1.57 3.97 -0.20 0.00 1.75 0.34 -1.96 119.30 124.77 2j1k s MET 498 Ca 0.04 -0.33 -0.22 0.00 -1.25 0.00 0.00 55.69 53.93 2j1k s MET 498 Cb -0.13 -3.38 -0.02 0.00 2.84 0.00 0.00 34.83 34.14 2j1k s MET 498 CO -0.09 0.11 0.70 -1.17 -0.65 0.00 0.00 175.02 173.91 2j1k s LEU 499 N 0.87 4.14 -0.18 4.11 2.96 0.02 -0.38 118.68 130.22 2j1k s LEU 499 Ca 0.06 0.93 -0.05 0.00 -0.22 0.00 0.00 54.13 54.85 2j1k s LEU 499 Cb -0.13 -3.00 -0.03 0.00 0.50 0.00 0.00 46.19 43.52 2j1k s LEU 499 CO 0.03 -0.33 0.01 -0.63 -1.32 0.00 0.00 176.35 174.10 2j1k s ILE 500 N 2.07 4.18 -0.32 6.68 1.01 0.07 -1.06 121.20 133.83 2j1k s ILE 500 Ca 0.32 -0.25 -0.12 0.00 0.00 0.00 0.00 60.65 60.60 2j1k s ILE 500 Cb -0.16 -2.87 -0.02 0.00 0.01 0.00 0.00 42.46 39.42 2j1k s ILE 500 CO 0.11 0.46 0.21 -0.63 0.00 0.00 0.00 174.94 175.08 2j1k s ILE 501 N 0.58 5.08 -1.14 2.92 1.01 0.11 -1.33 121.20 128.43 2j1k s ILE 501 Ca -0.00 -0.24 -0.00 0.00 0.00 0.00 0.00 60.65 60.41 2j1k s ILE 501 Cb -0.14 -3.58 0.00 0.00 0.01 0.00 0.00 42.46 38.75 2j1k s ILE 501 CO 0.02 0.04 0.04 0.59 0.00 0.00 0.00 174.94 175.63 2j1k n ASN 502 N 5.06 -4.23 -4.69 3.58 3.02 0.41 -2.00 115.26 116.43 2j1k n ASN 502 Ca -0.13 -0.03 -0.42 0.00 -0.03 0.00 0.00 54.58 53.97 2j1k n ASN 502 Cb 0.50 -3.37 -0.03 0.00 -0.61 0.00 0.00 39.78 36.27 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 -4.74 4.21 0.39 3.52 2.20 -1.26 -4.35 119.74 119.71 2j1k s LYS 503 Ca 0.02 2.25 -0.27 0.00 -0.36 0.00 0.00 55.97 57.61 2j1k s LYS 503 Cb -0.01 -3.63 -0.10 0.00 -1.51 0.00 0.00 37.83 32.59 2j1k s LYS 503 CO 0.02 -0.71 1.37 -2.14 -0.36 0.00 0.00 175.35 173.53 2j1k s PRO 504 N 2.72 4.04 -0.19 4.03 0.02 -1.26 -4.68 135.00 139.68 2j1k s PRO 504 Ca 0.72 2.33 -0.04 0.00 0.02 0.00 0.00 61.00 64.03 2j1k s PRO 504 Cb -0.38 -2.86 0.09 0.00 0.02 0.00 0.00 34.50 31.37 2j1k s PRO 504 CO 0.31 -0.49 0.27 0.15 -0.33 0.00 0.00 177.00 176.91 2j1k s LYS 505 N -2.14 0.21 5.34 5.54 -0.14 -1.26 -5.10 119.74 122.19 2j1k s LYS 505 Ca 0.55 0.45 0.00 0.00 -1.36 0.00 0.00 55.97 55.61 2j1k s LYS 505 Cb -0.42 -0.67 0.00 0.00 -1.68 0.00 0.00 37.83 35.06 2j1k s LYS 505 CO 0.55 -0.53 0.00 0.41 -0.76 0.00 0.00 175.35 175.01 2j1k n GLY 506 N 5.34 3.30 1.36 -3.33 0.00 -1.26 -1.41 105.19 109.19 2j1k n GLY 506 Ca -0.05 -0.04 0.08 0.00 0.00 0.00 0.00 46.02 46.01 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 2.10 -1.95 1.61 0.24 -1.26 -4.98 118.33 114.09 2j1k n VAL 507 Ca 0.00 -1.42 -0.40 0.00 -2.04 0.00 0.00 64.34 60.47 2j1k n VAL 507 Cb 0.00 -0.04 -0.01 0.00 -1.47 0.00 0.00 33.84 32.33 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 -2.25 3.43 -0.07 2.33 0.00 -0.50 -4.94 121.76 119.77 2j1k s ALA 508 Ca 0.46 1.39 -0.07 0.00 0.00 0.00 0.00 51.96 53.75 2j1k s ALA 508 Cb 0.33 -3.54 -0.28 0.00 0.00 0.00 0.00 23.12 19.63 2j1k s ALA 508 CO 0.17 -0.90 0.58 1.15 0.00 0.00 0.00 175.76 176.76 2j1k h THR 509 N 2.78 0.85 -4.22 0.00 2.02 -1.56 -3.43 112.91 109.34 2j1k h THR 509 Ca -0.50 -2.50 -0.52 0.00 0.77 0.00 0.00 66.41 63.66 2j1k h THR 509 Cb 1.24 2.65 -0.28 0.00 -1.74 0.00 0.00 68.15 70.02 2j1k h THR 509 CO 0.64 0.84 -0.82 -0.31 0.37 0.00 0.00 175.52 176.24 2j1k s TYR 510 N -2.58 1.48 0.03 3.16 2.02 -1.02 -4.99 117.35 115.44 2j1k s TYR 510 Ca -0.17 -0.31 0.04 0.00 -0.37 0.00 0.00 57.07 56.27 2j1k s TYR 510 Cb 0.06 -0.93 -0.02 0.00 -0.40 0.00 0.00 41.96 40.68 2j1k s TYR 510 CO 0.82 0.01 -0.13 0.95 -1.57 0.00 0.00 175.55 175.63 2j1k s THR 511 N -0.53 1.03 -0.11 -0.71 -4.23 -1.26 -1.03 115.64 108.79 2j1k s THR 511 Ca 0.06 -0.90 0.01 0.00 -1.18 0.00 0.00 61.69 59.67 2j1k s THR 511 Cb -0.07 -0.93 0.02 0.00 1.34 0.00 0.00 72.50 72.86 2j1k s THR 511 CO 0.00 0.03 -0.13 -0.76 -0.54 0.00 0.00 174.62 173.22 2j1k s LEU 512 N -1.00 1.60 -0.15 4.79 1.43 -0.50 -0.44 118.68 124.41 2j1k s LEU 512 Ca 0.01 -0.40 0.01 0.00 -1.03 0.00 0.00 54.13 52.72 2j1k s LEU 512 Cb -0.07 -1.04 0.00 0.00 0.03 0.00 0.00 46.19 45.11 2j1k s LEU 512 CO 0.01 -0.03 -0.17 -0.89 0.23 0.00 0.00 176.35 175.50 2j1k s THR 513 N 1.21 2.50 -0.40 5.49 2.01 -0.44 0.17 115.64 126.18 2j1k s THR 513 Ca -0.02 -0.83 -0.18 0.00 0.31 0.00 0.00 61.69 60.97 2j1k s THR 513 Cb -0.14 -2.04 0.01 0.00 0.01 0.00 0.00 72.50 70.34 2j1k s THR 513 CO -0.05 0.52 0.47 -0.36 -0.69 0.00 0.00 174.62 174.52 2j1k s PHE 514 N 0.81 3.16 -0.25 4.92 0.08 -0.10 -0.75 117.98 125.85 2j1k s PHE 514 Ca -0.06 -0.20 -0.03 0.00 0.12 0.00 0.00 56.93 56.76 2j1k s PHE 514 Cb -0.15 -2.94 0.02 0.00 -0.57 0.00 0.00 43.02 39.38 2j1k s PHE 514 CO -0.00 -0.67 -0.05 0.50 -0.10 0.00 0.00 175.22 174.90 2j1k s ARG 515 N 2.26 2.98 -0.17 0.44 3.52 0.49 0.11 118.95 128.58 2j1k s ARG 515 Ca 0.14 -0.89 -0.16 0.00 -0.13 0.00 0.00 55.73 54.70 2j1k s ARG 515 Cb -0.16 -3.02 -0.04 0.00 -1.56 0.00 0.00 34.95 30.17 2j1k s ARG 515 CO 0.14 -0.36 0.40 -0.06 -0.81 0.00 0.00 175.30 174.61 2j1k s PHE 516 N 1.38 3.44 0.08 5.12 0.08 -0.44 -0.51 117.98 127.13 2j1k s PHE 516 Ca 0.02 0.70 -0.00 0.00 0.12 0.00 0.00 56.93 57.77 2j1k s PHE 516 Cb -0.16 -2.49 -0.04 0.00 -0.57 0.00 0.00 43.02 39.76 2j1k s PHE 516 CO -0.04 0.10 -0.03 -0.51 -0.10 0.00 0.00 175.22 174.65 2j1k s LEU 517 N 0.90 2.37 -1.08 -0.37 1.43 -0.23 -2.86 118.68 118.84 2j1k s LEU 517 Ca 0.21 -1.04 -0.04 0.00 -1.03 0.00 0.00 54.13 52.23 2j1k s LEU 517 Cb -0.14 0.13 0.00 0.00 0.03 0.00 0.00 46.19 46.21 2j1k s LEU 517 CO 0.08 -0.58 0.93 0.59 0.23 0.00 0.00 176.35 177.59 2j1k n ASN 518 N 0.02 -3.82 0.27 2.29 3.02 -1.26 -1.33 115.26 114.44 2j1k n ASN 518 Ca -0.12 -0.49 0.12 0.00 -0.03 0.00 0.00 54.58 54.06 2j1k n ASN 518 Cb 0.61 -4.39 0.74 0.00 -0.61 0.00 0.00 39.78 36.14 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 -1.95 0.00 0.00 3.10 0.04 -1.83 -2.94 116.94 113.37 2j1k h PHE 519 Ca -0.49 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.28 2j1k h PHE 519 Cb 1.30 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.45 2j1k h PHE 519 CO 0.40 0.10 0.00 0.27 -0.60 0.00 0.00 178.31 178.48 2j1k n ASN 520 N -3.76 0.00 0.21 2.17 6.94 -1.04 -0.50 115.26 119.29 2j1k n ASN 520 Ca -0.02 -0.13 0.14 0.00 -0.02 0.00 0.00 54.58 54.54 2j1k n ASN 520 Cb 0.20 -0.17 0.40 0.00 -2.36 0.00 0.00 39.78 37.85 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 -6.65 -3.83 2.47 -1.82 -3.46 114.38 101.09 2j1k h ARG 521 Ca 0.00 0.00 -0.53 0.00 -1.26 0.00 0.00 59.98 58.19 2j1k h ARG 521 Cb 0.08 0.00 0.04 0.00 -1.65 0.00 0.00 29.97 28.44 2j1k h ARG 521 CO 0.00 0.00 0.73 -0.51 0.56 0.00 0.00 179.97 180.75 2j1k s LEU 522 N -5.76 4.39 0.50 3.04 1.43 0.34 -4.66 118.68 117.96 2j1k s LEU 522 Ca 0.05 2.48 0.29 0.00 -1.03 0.00 0.00 54.13 55.93 2j1k s LEU 522 Cb 0.08 -3.60 1.06 0.00 0.03 0.00 0.00 46.19 43.75 2j1k s LEU 522 CO 0.59 -0.65 1.87 0.77 0.23 0.00 0.00 176.35 179.16 2j1k h SER 523 N 5.87 0.00 -0.10 2.29 4.64 -1.61 -3.41 113.55 121.23 2j1k h SER 523 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 2j1k h SER 523 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 2j1k h SER 523 CO 0.82 0.07 0.00 0.61 -0.87 0.00 0.00 176.83 177.46 2j1k n GLY 524 N 0.27 1.00 3.68 -0.77 0.00 -1.26 -5.01 105.19 103.09 2j1k n GLY 524 Ca 0.01 -0.73 -0.47 0.00 0.00 0.00 0.00 46.02 44.84 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 1.45 3.09 -0.02 0.00 -1.26 -4.40 105.19 104.05 2j1k n GLY 525 Ca 0.00 0.80 -0.21 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 3.30 1.02 0.05 2.61 2.01 -0.02 -4.95 115.64 119.66 2j1k s THR 526 Ca 0.88 -0.60 -0.31 0.00 0.31 0.00 0.00 61.69 61.98 2j1k s THR 526 Cb -0.64 -0.86 -0.07 0.00 0.01 0.00 0.00 72.50 70.93 2j1k s THR 526 CO 0.46 0.25 1.55 -0.22 -0.69 0.00 0.00 174.62 175.97 2j1k s LEU 527 N -0.40 4.35 -1.52 4.42 2.96 -1.26 -0.60 118.68 126.62 2j1k s LEU 527 Ca 0.04 2.35 -0.12 0.00 -0.22 0.00 0.00 54.13 56.18 2j1k s LEU 527 Cb -0.05 -3.57 -0.01 0.00 0.50 0.00 0.00 46.19 43.07 2j1k s LEU 527 CO -0.00 -0.81 2.50 0.33 -1.32 0.00 0.00 176.35 177.05 2j1k n PHE 528 N 5.34 3.11 -3.95 5.38 7.35 -0.56 -3.92 117.46 130.21 2j1k n PHE 528 Ca 0.15 -3.02 -0.32 0.00 -0.76 0.00 0.00 57.45 53.50 2j1k n PHE 528 Cb 0.42 -2.53 -0.14 0.00 0.35 0.00 0.00 39.48 37.58 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 2.75 1.77 0.59 -4.13 2.20 -1.26 -0.77 119.74 120.90 2j1k s LYS 529 Ca 0.56 -2.18 -0.15 0.00 -0.36 0.00 0.00 55.97 53.84 2j1k s LYS 529 Cb 0.15 -3.32 -0.04 0.00 -1.51 0.00 0.00 37.83 33.11 2j1k s LYS 529 CO -0.08 -1.03 1.03 0.95 -0.36 0.00 0.00 175.35 175.87 2j1k s THR 530 N 0.45 4.14 1.01 3.43 -4.23 -0.20 -0.27 115.64 119.97 2j1k s THR 530 Ca 0.13 0.93 -0.12 0.00 -1.18 0.00 0.00 61.69 61.45 2j1k s THR 530 Cb -0.22 -3.53 0.17 0.00 1.34 0.00 0.00 72.50 70.26 2j1k s THR 530 CO -0.05 -0.68 0.90 0.47 -0.54 0.00 0.00 174.62 174.72 2j1k n ASP 531 N -2.16 -0.86 -4.68 3.99 9.92 0.46 -4.53 116.55 118.68 2j1k n ASP 531 Ca 0.08 0.20 -0.42 0.00 -0.53 0.00 0.00 54.79 54.11 2j1k n ASP 531 Cb 0.53 -1.33 -0.03 0.00 -0.64 0.00 0.00 41.12 39.66 2j1k n ASP 531 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2j1k s VAL 532 N -2.50 3.97 -0.06 2.53 1.01 -1.26 -4.53 120.40 119.55 2j1k s VAL 532 Ca 0.65 1.31 0.01 0.00 0.00 0.00 0.00 61.98 63.95 2j1k s VAL 532 Cb -0.22 -3.84 -0.03 0.00 0.00 0.00 0.00 36.38 32.28 2j1k s VAL 532 CO 0.62 -0.02 -0.06 -0.76 0.00 0.00 0.00 175.10 174.88 2j1k s LEU 533 N 2.51 3.21 -0.06 3.92 1.43 0.14 -4.96 118.68 124.87 2j1k s LEU 533 Ca 0.60 -0.02 0.03 0.00 -1.03 0.00 0.00 54.13 53.72 2j1k s LEU 533 Cb -0.28 -1.72 0.00 0.00 0.03 0.00 0.00 46.19 44.22 2j1k s LEU 533 CO 0.24 0.35 -0.16 -0.89 0.23 0.00 0.00 176.35 176.12 2j1k s THR 534 N -0.84 1.37 0.26 5.49 2.01 -1.26 -1.16 115.64 121.52 2j1k s THR 534 Ca 0.13 -0.65 0.03 0.00 0.31 0.00 0.00 61.69 61.51 2j1k s THR 534 Cb -0.11 -1.21 -0.06 0.00 0.01 0.00 0.00 72.50 71.14 2j1k s THR 534 CO 0.02 0.40 0.02 -0.36 -0.69 0.00 0.00 174.62 174.02 2j1k s PHE 535 N 0.31 1.68 -0.06 4.92 0.08 0.60 -4.98 117.98 120.53 2j1k s PHE 535 Ca -0.10 -0.95 -0.06 0.00 0.12 0.00 0.00 56.93 55.94 2j1k s PHE 535 Cb -0.14 -1.01 0.02 0.00 -0.57 0.00 0.00 43.02 41.32 2j1k s PHE 535 CO 0.04 -0.05 0.18 0.99 -0.10 0.00 0.00 175.22 176.28 2j1k s THR 536 N -3.41 0.00 0.13 0.64 2.01 -1.26 -0.53 115.64 113.22 2j1k s THR 536 Ca 0.32 -0.03 -0.13 0.00 0.31 0.00 0.00 61.69 62.16 2j1k s THR 536 Cb 0.07 -0.26 0.02 0.00 0.01 0.00 0.00 72.50 72.33 2j1k s THR 536 CO 0.11 -0.02 0.34 -0.72 -0.69 0.00 0.00 174.62 173.65 2j1k s TYR 537 N 0.03 -0.01 0.03 4.92 -0.85 -0.82 -5.01 117.35 115.64 2j1k s TYR 537 Ca -0.01 -0.34 -0.30 0.00 -0.52 0.00 0.00 57.07 55.90 2j1k s TYR 537 Cb -0.02 0.15 -0.06 0.00 0.38 0.00 0.00 41.96 42.41 2j1k s TYR 537 CO 0.00 -0.69 1.32 0.08 -1.52 0.00 0.00 175.55 174.75 2j1k s VAL 538 N -3.85 3.77 0.56 -3.49 1.01 -1.26 -0.10 120.40 117.05 2j1k s VAL 538 Ca 0.06 1.22 -0.16 0.00 0.00 0.00 0.00 61.98 63.10 2j1k s VAL 538 Cb 0.03 -3.78 -0.05 0.00 0.00 0.00 0.00 36.38 32.57 2j1k s VAL 538 CO -0.09 0.04 1.02 -0.83 0.00 0.00 0.00 175.10 175.25 2j1k s GLY 539 N 1.45 2.06 0.63 4.51 0.00 0.06 -1.08 107.32 114.95 2j1k s GLY 539 Ca 0.62 0.27 -0.16 0.00 0.00 0.00 0.00 44.72 45.44 2j1k s GLY 539 CO 0.27 0.56 1.13 1.85 0.00 0.00 0.00 173.10 176.92 2j1k s GLU 540 N -4.15 2.90 0.25 2.90 2.56 0.85 -4.25 118.70 119.75 2j1k s GLU 540 Ca 0.61 1.52 -0.19 0.00 0.00 0.00 0.00 54.97 56.91 2j1k s GLU 540 Cb -0.13 -1.95 -0.09 0.00 2.00 0.00 0.00 34.13 33.96 2j1k s GLU 540 CO 0.36 -1.20 0.74 -0.80 -0.56 0.00 0.00 175.26 173.80 2j1k s ASN 541 N -2.23 7.01 0.00 -1.70 0.01 -1.26 -4.49 114.94 112.28 2j1k s ASN 541 Ca 0.70 1.41 0.00 0.00 -0.71 0.00 0.00 52.86 54.26 2j1k s ASN 541 Cb -0.23 -2.42 0.00 0.00 0.41 0.00 0.00 41.25 39.01 2j1k s ASN 541 CO 0.37 -0.03 0.45 1.67 -1.51 0.00 0.00 177.10 178.06