#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dpq s LEU 392 N 0.00 3.21 -0.32 -1.96 1.43 -1.26 -5.09 118.68 114.70 3dpq s LEU 392 Ca 0.00 -0.06 -0.11 0.00 -1.03 0.00 0.00 54.13 52.93 3dpq s LEU 392 Cb 0.00 -1.73 -0.02 0.00 0.03 0.00 0.00 46.19 44.47 3dpq s LEU 392 CO 0.00 0.28 0.19 -0.62 0.23 0.00 0.00 176.35 176.43 3dpq s ASP 393 N -0.30 5.80 0.32 2.29 2.15 -1.26 -5.06 116.67 120.61 3dpq s ASP 393 Ca 0.05 -0.41 0.03 0.00 0.43 0.00 0.00 52.55 52.65 3dpq s ASP 393 Cb -0.13 -2.07 -0.06 0.00 -0.30 0.00 0.00 42.92 40.36 3dpq s ASP 393 CO 0.02 -0.19 0.06 0.68 -0.17 0.00 0.00 175.17 175.58 3dpq s VAL 394 N 1.68 1.10 -0.45 1.11 -7.23 -1.25 -2.23 120.40 113.13 3dpq s VAL 394 Ca 0.06 -2.00 -0.28 0.00 -1.81 0.00 0.00 61.98 57.94 3dpq s VAL 394 Cb -0.17 -2.76 0.00 0.00 0.56 0.00 0.00 36.38 34.01 3dpq s VAL 394 CO 0.08 0.00 1.50 0.42 -0.31 0.00 0.00 175.10 176.79 3dpq s THR 395 N -3.34 3.78 -2.00 5.32 -4.23 -0.75 -4.90 115.64 109.52 3dpq s THR 395 Ca 0.36 0.75 0.08 0.00 -1.18 0.00 0.00 61.69 61.71 3dpq s THR 395 Cb 0.08 -4.16 0.24 0.00 1.34 0.00 0.00 72.50 70.00 3dpq s THR 395 CO 0.15 -0.81 1.01 -0.81 -0.54 0.00 0.00 174.62 173.62 3dpq n PRO 396 N 8.34 0.60 -3.62 3.99 -0.04 -1.26 0.35 135.00 143.36 3dpq n PRO 396 Ca 0.17 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.52 3dpq n PRO 396 Cb 0.48 -1.22 -0.03 0.00 -0.04 0.00 0.00 33.50 32.69 3dpq n PRO 396 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3dpq s LEU 397 N -1.44 -0.19 0.39 1.53 1.43 -1.26 -4.45 118.68 114.69 3dpq s LEU 397 Ca 0.13 -0.29 -0.26 0.00 -1.03 0.00 0.00 54.13 52.68 3dpq s LEU 397 Cb 0.06 2.38 -0.09 0.00 0.03 0.00 0.00 46.19 48.57 3dpq s LEU 397 CO 0.10 -1.04 1.18 -0.44 0.23 0.00 0.00 176.35 176.38 3dpq s SER 398 N -2.82 6.54 -0.03 2.29 0.01 -1.18 -3.93 113.70 114.58 3dpq s SER 398 Ca 0.06 2.38 0.06 0.00 1.31 0.00 0.00 55.95 59.76 3dpq s SER 398 Cb -0.01 -2.62 -0.02 0.00 0.21 0.00 0.00 66.02 63.57 3dpq s SER 398 CO -0.06 -0.66 -0.20 -0.76 0.41 0.00 0.00 173.24 171.97 3dpq s LEU 399 N -2.42 2.42 0.00 2.44 1.43 -0.25 -0.66 118.68 121.65 3dpq s LEU 399 Ca 0.56 -0.34 0.00 0.00 -1.03 0.00 0.00 54.13 53.32 3dpq s LEU 399 Cb -0.32 -1.45 0.00 0.00 0.03 0.00 0.00 46.19 44.45 3dpq s LEU 399 CO 0.40 0.33 0.00 0.61 0.23 0.00 0.00 176.35 177.92 3dpq n GLY 400 N 2.30 2.68 3.21 -3.19 0.00 -0.65 -0.02 105.19 109.52 3dpq n GLY 400 Ca -0.17 -0.66 -0.13 0.00 0.00 0.00 0.00 46.02 45.07 3dpq n GLY 400 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3dpq s ILE 401 N -2.39 0.98 0.11 -0.61 -4.36 0.68 -2.35 121.20 113.26 3dpq s ILE 401 Ca 0.00 -1.93 -0.30 0.00 -0.26 0.00 0.00 60.65 58.16 3dpq s ILE 401 Cb 0.00 -1.69 -0.06 0.00 1.25 0.00 0.00 42.46 41.96 3dpq s ILE 401 CO 0.00 -0.74 1.07 -0.70 0.24 0.00 0.00 174.94 174.81 3dpq s GLU 402 N -3.56 4.58 0.44 0.37 2.12 -0.91 -0.88 118.70 120.85 3dpq s GLU 402 Ca 0.13 1.62 0.06 0.00 0.36 0.00 0.00 54.97 57.13 3dpq s GLU 402 Cb 0.02 -3.35 -0.05 0.00 0.26 0.00 0.00 34.13 31.01 3dpq s GLU 402 CO -0.01 0.01 0.08 0.95 -0.54 0.00 0.00 175.26 175.75 3dpq s THR 403 N 0.32 1.88 -0.25 -1.70 -4.23 -0.86 -4.69 115.64 106.11 3dpq s THR 403 Ca 0.51 -1.89 -0.41 0.00 -1.18 0.00 0.00 61.69 58.72 3dpq s THR 403 Cb -0.27 -2.77 -0.19 0.00 1.34 0.00 0.00 72.50 70.62 3dpq s THR 403 CO 0.31 0.00 1.27 0.80 -0.54 0.00 0.00 174.62 176.46 3dpq n MET 404 N -1.15 0.00 0.00 3.99 1.56 -1.26 -1.88 117.12 118.38 3dpq n MET 404 Ca -0.07 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.36 3dpq n MET 404 Cb 0.66 -1.40 0.00 0.00 2.15 0.00 0.00 33.22 34.63 3dpq n MET 404 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 3dpq n GLY 405 N 2.67 2.57 0.00 -5.12 0.00 -1.26 -4.42 105.19 99.62 3dpq n GLY 405 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 3dpq n GLY 405 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dpq n GLY 406 N -0.74 1.79 3.87 -0.02 0.00 -0.79 -5.07 105.19 104.24 3dpq n GLY 406 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 3dpq n GLY 406 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dpq s VAL 407 N -2.00 5.12 -0.22 1.61 1.01 -1.20 -1.34 120.40 123.37 3dpq s VAL 407 Ca 0.00 -0.44 -0.23 0.00 0.00 0.00 0.00 61.98 61.32 3dpq s VAL 407 Cb 0.00 -3.45 -0.01 0.00 0.00 0.00 0.00 36.38 32.91 3dpq s VAL 407 CO 0.00 0.20 0.74 -0.32 0.00 0.00 0.00 175.10 175.72 3dpq s MET 408 N -2.28 4.19 -0.22 2.72 1.75 -1.10 -2.02 119.30 122.35 3dpq s MET 408 Ca 0.31 0.79 -0.02 0.00 -1.25 0.00 0.00 55.69 55.52 3dpq s MET 408 Cb -0.13 -3.62 0.01 0.00 2.84 0.00 0.00 34.83 33.94 3dpq s MET 408 CO 0.23 -0.39 -0.09 0.99 -0.65 0.00 0.00 175.02 175.11 3dpq s THR 409 N 2.42 2.87 -0.05 10.11 2.01 -0.06 -4.85 115.64 128.09 3dpq s THR 409 Ca 0.32 -0.75 -0.19 0.00 0.31 0.00 0.00 61.69 61.38 3dpq s THR 409 Cb -0.16 -2.32 -0.05 0.00 0.01 0.00 0.00 72.50 69.98 3dpq s THR 409 CO 0.09 0.40 0.52 -0.89 -0.69 0.00 0.00 174.62 174.05 3dpq s THR 410 N 1.39 5.04 -0.22 -0.82 2.01 -1.26 -0.23 115.64 121.54 3dpq s THR 410 Ca 0.04 1.07 0.10 0.00 0.31 0.00 0.00 61.69 63.21 3dpq s THR 410 Cb -0.14 -3.85 -0.20 0.00 0.01 0.00 0.00 72.50 68.31 3dpq s THR 410 CO -0.06 0.41 -0.07 0.18 -0.69 0.00 0.00 174.62 174.39 3dpq n LEU 411 N 2.95 1.39 -3.67 4.42 7.99 0.97 -4.89 117.00 126.17 3dpq n LEU 411 Ca -0.08 -0.06 -0.28 0.00 -0.01 0.00 0.00 56.01 55.57 3dpq n LEU 411 Cb 0.51 -0.15 -0.16 0.00 -0.11 0.00 0.00 43.42 43.51 3dpq n LEU 411 CO 0.42 0.68 -0.34 -0.63 -1.51 0.00 0.00 177.39 176.01 3dpq s ILE 412 N -2.48 0.36 0.50 -0.08 1.01 -0.96 -4.88 121.20 114.68 3dpq s ILE 412 Ca -0.21 -0.75 -0.23 0.00 0.00 0.00 0.00 60.65 59.46 3dpq s ILE 412 Cb 0.07 -1.10 -0.07 0.00 0.01 0.00 0.00 42.46 41.37 3dpq s ILE 412 CO 0.69 -0.46 1.37 0.00 0.00 0.00 0.00 174.94 176.54 3dpq n ALA 413 N 5.09 1.71 -0.96 9.38 0.00 -1.26 -1.09 120.51 133.38 3dpq n ALA 413 Ca -0.06 0.18 -0.30 0.00 0.00 0.00 0.00 53.44 53.26 3dpq n ALA 413 Cb 0.45 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.54 3dpq n ALA 413 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3dpq n LYS 414 N -0.61 0.00 -4.29 0.00 2.85 -1.25 -2.47 118.16 112.39 3dpq n LYS 414 Ca 0.08 0.00 -0.33 0.00 -1.05 0.00 0.00 58.31 57.01 3dpq n LYS 414 Cb 0.43 -0.75 -0.09 0.00 -0.65 0.00 0.00 35.03 33.98 3dpq n LYS 414 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3dpq n ASN 415 N 1.80 0.38 -4.76 -5.58 5.03 1.09 -4.87 115.26 108.35 3dpq n ASN 415 Ca 0.07 -1.28 -0.40 0.00 0.87 0.00 0.00 54.58 53.85 3dpq n ASN 415 Cb 0.32 -1.58 -0.06 0.00 -1.02 0.00 0.00 39.78 37.44 3dpq n ASN 415 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 3dpq s THR 416 N -4.29 4.22 -0.28 3.41 2.01 -1.03 -4.79 115.64 114.89 3dpq s THR 416 Ca 0.06 1.93 -0.29 0.00 0.31 0.00 0.00 61.69 63.70 3dpq s THR 416 Cb -0.03 -4.25 0.01 0.00 0.01 0.00 0.00 72.50 68.24 3dpq s THR 416 CO 0.99 0.50 1.04 0.42 -0.69 0.00 0.00 174.62 176.89 3dpq s THR 417 N -1.08 4.60 0.59 -0.82 -4.23 -1.26 -1.81 115.64 111.62 3dpq s THR 417 Ca 0.39 1.84 -0.10 0.00 -1.18 0.00 0.00 61.69 62.64 3dpq s THR 417 Cb -0.25 -4.36 -0.04 0.00 1.34 0.00 0.00 72.50 69.20 3dpq s THR 417 CO 0.29 -0.34 0.97 0.27 -0.54 0.00 0.00 174.62 175.28 3dpq s ILE 418 N 3.42 4.70 0.45 2.99 -4.36 -0.95 -4.45 121.20 123.00 3dpq s ILE 418 Ca 0.44 0.70 -0.15 0.00 -0.26 0.00 0.00 60.65 61.38 3dpq s ILE 418 Cb -0.13 -3.85 -0.08 0.00 1.25 0.00 0.00 42.46 39.65 3dpq s ILE 418 CO 0.11 -1.06 0.89 -2.16 0.24 0.00 0.00 174.94 172.97 3dpq s PRO 419 N -5.08 3.94 0.34 0.37 0.04 -1.26 -4.96 135.00 128.39 3dpq s PRO 419 Ca 0.53 0.80 0.04 0.00 0.04 0.00 0.00 61.00 62.41 3dpq s PRO 419 Cb -0.11 -2.25 -0.05 0.00 0.04 0.00 0.00 34.50 32.13 3dpq s PRO 419 CO 0.52 -0.13 0.07 -0.08 0.04 0.00 0.00 177.00 177.42 3dpq s THR 420 N -2.43 1.07 0.01 1.26 -1.32 -1.06 -5.03 115.64 108.14 3dpq s THR 420 Ca 0.56 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 59.05 3dpq s THR 420 Cb -0.10 -2.70 -0.01 0.00 -1.51 0.00 0.00 72.50 68.18 3dpq s THR 420 CO 0.28 0.00 -0.02 -0.75 -2.21 0.00 0.00 174.62 171.91 3dpq s LYS 421 N -3.86 0.21 -0.26 7.08 2.20 -1.26 -2.98 119.74 120.87 3dpq s LYS 421 Ca 0.33 -0.35 -0.21 0.00 -0.36 0.00 0.00 55.97 55.39 3dpq s LYS 421 Cb 0.07 0.01 0.07 0.00 -1.51 0.00 0.00 37.83 36.47 3dpq s LYS 421 CO 0.15 -0.01 0.68 -1.58 -0.36 0.00 0.00 175.35 174.22 3dpq s HIS 422 N -0.80 -0.86 -0.08 4.03 2.46 0.14 -5.00 115.29 115.18 3dpq s HIS 422 Ca -0.08 1.93 0.03 0.00 0.47 0.00 0.00 55.06 57.41 3dpq s HIS 422 Cb -0.06 0.39 0.01 0.00 -0.13 0.00 0.00 32.58 32.79 3dpq s HIS 422 CO -0.00 -0.42 -0.17 -1.12 -2.47 0.00 0.00 174.74 170.55 3dpq s SER 423 N 0.86 2.33 -0.09 9.88 0.01 -1.26 -1.28 113.70 124.15 3dpq s SER 423 Ca -0.04 -0.41 -0.04 0.00 1.31 0.00 0.00 55.95 56.77 3dpq s SER 423 Cb -0.05 -1.02 0.04 0.00 0.21 0.00 0.00 66.02 65.20 3dpq s SER 423 CO -0.07 0.10 0.20 -1.58 0.41 0.00 0.00 173.24 172.29 3dpq s GLN 424 N 0.47 0.15 0.05 12.44 0.74 -0.30 -4.98 119.66 128.23 3dpq s GLN 424 Ca -0.15 0.45 -0.28 0.00 0.05 0.00 0.00 55.36 55.43 3dpq s GLN 424 Cb -0.16 -0.14 -0.05 0.00 1.10 0.00 0.00 33.01 33.76 3dpq s GLN 424 CO 0.06 -0.16 0.90 0.08 -0.55 0.00 0.00 175.29 175.62 3dpq s VAL 425 N 1.20 4.71 0.00 1.34 1.01 -1.26 -1.36 120.40 126.04 3dpq s VAL 425 Ca -0.09 1.92 0.00 0.00 0.00 0.00 0.00 61.98 63.81 3dpq s VAL 425 Cb -0.11 -4.25 0.00 0.00 0.00 0.00 0.00 36.38 32.02 3dpq s VAL 425 CO -0.07 0.27 0.00 0.49 0.00 0.00 0.00 175.10 175.79 3dpq n PHE 426 N 3.21 -0.06 -2.73 5.22 3.01 -0.69 -4.96 117.46 120.46 3dpq n PHE 426 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.48 3dpq n PHE 426 Cb 0.50 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.97 3dpq n PHE 426 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 3dpq n SER 427 N -0.34 0.00 -4.96 4.37 2.88 -1.26 -2.51 113.62 111.81 3dpq n SER 427 Ca 0.00 -0.48 -0.23 0.00 -1.33 0.00 0.00 58.87 56.83 3dpq n SER 427 Cb 0.00 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.48 3dpq n SER 427 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 3dpq s THR 428 N -2.63 3.57 -0.10 2.46 -4.23 -1.26 -4.88 115.64 108.57 3dpq s THR 428 Ca 0.00 -0.52 0.15 0.00 -1.18 0.00 0.00 61.69 60.14 3dpq s THR 428 Cb 0.00 -3.33 -0.21 0.00 1.34 0.00 0.00 72.50 70.29 3dpq s THR 428 CO 0.00 -0.24 0.17 0.00 -0.54 0.00 0.00 174.62 174.01 3dpq n ALA 429 N -2.19 2.01 -3.72 3.99 0.00 -1.26 -2.10 120.51 117.24 3dpq n ALA 429 Ca 0.04 -0.77 -0.16 0.00 0.00 0.00 0.00 53.44 52.55 3dpq n ALA 429 Cb 0.58 -0.27 -0.16 0.00 0.00 0.00 0.00 19.45 19.60 3dpq n ALA 429 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 3dpq s GLU 430 N -2.67 -0.01 0.01 0.00 -1.05 -1.26 -4.91 118.70 108.80 3dpq s GLU 430 Ca -0.07 0.34 -0.11 0.00 -0.15 0.00 0.00 54.97 54.98 3dpq s GLU 430 Cb 0.07 -0.31 -0.05 0.00 -0.44 0.00 0.00 34.13 33.40 3dpq s GLU 430 CO 0.65 -0.23 0.28 -0.25 0.95 0.00 0.00 175.26 176.66 3dpq n ASP 431 N 4.66 -0.04 -2.52 0.83 8.00 -1.26 0.38 116.55 126.60 3dpq n ASP 431 Ca -0.17 0.32 -0.20 0.00 0.71 0.00 0.00 54.79 55.45 3dpq n ASP 431 Cb 0.50 -0.26 0.02 0.00 -0.02 0.00 0.00 41.12 41.36 3dpq n ASP 431 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3dpq n ASN 432 N 0.44 -5.62 -4.67 -2.24 3.02 -0.03 -4.84 115.26 101.32 3dpq n ASN 432 Ca 0.06 -0.17 -0.43 0.00 -0.03 0.00 0.00 54.58 54.01 3dpq n ASN 432 Cb 0.03 -4.53 -0.02 0.00 -0.61 0.00 0.00 39.78 34.64 3dpq n ASN 432 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 3dpq s GLN 433 N -5.34 4.24 0.16 3.52 0.74 0.16 -4.80 119.66 118.34 3dpq s GLN 433 Ca 0.17 1.78 0.24 0.00 0.05 0.00 0.00 55.36 57.60 3dpq s GLN 433 Cb -0.07 -3.76 0.36 0.00 1.10 0.00 0.00 33.01 30.64 3dpq s GLN 433 CO 0.21 -0.69 1.36 0.66 -0.55 0.00 0.00 175.29 176.28 3dpq h SER 434 N 8.30 0.00 -4.12 6.67 4.64 -1.89 -3.44 113.55 123.72 3dpq h SER 434 Ca -0.30 -0.15 0.05 0.00 -0.47 0.00 0.00 61.79 60.91 3dpq h SER 434 Cb 1.13 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 62.99 3dpq h SER 434 CO 0.95 0.07 0.45 0.00 -0.87 0.00 0.00 176.83 177.44 3dpq s ALA 435 N -3.18 -1.90 0.25 5.18 0.00 -1.26 -0.27 121.76 120.57 3dpq s ALA 435 Ca 0.06 1.60 0.11 0.00 0.00 0.00 0.00 51.96 53.73 3dpq s ALA 435 Cb 0.12 -0.72 -0.05 0.00 0.00 0.00 0.00 23.12 22.48 3dpq s ALA 435 CO 0.71 -0.31 -0.15 0.14 0.00 0.00 0.00 175.76 176.15 3dpq s VAL 436 N -0.84 2.77 -0.00 0.00 -7.23 -0.34 -4.95 120.40 109.80 3dpq s VAL 436 Ca -0.03 -2.15 0.03 0.00 -1.81 0.00 0.00 61.98 58.02 3dpq s VAL 436 Cb -0.01 -2.43 -0.03 0.00 0.56 0.00 0.00 36.38 34.46 3dpq s VAL 436 CO 0.02 -0.32 -0.06 -0.89 -0.31 0.00 0.00 175.10 173.54 3dpq s THR 437 N -2.25 3.74 -0.73 5.32 2.01 -1.26 -0.78 115.64 121.69 3dpq s THR 437 Ca 0.28 -0.72 0.04 0.00 0.31 0.00 0.00 61.69 61.61 3dpq s THR 437 Cb -0.06 -2.62 0.18 0.00 0.01 0.00 0.00 72.50 70.00 3dpq s THR 437 CO 0.15 0.41 0.54 0.00 -0.69 0.00 0.00 174.62 175.03 3dpq n ILE 438 N 1.60 1.82 -2.35 1.82 3.06 0.58 -4.97 119.36 120.92 3dpq n ILE 438 Ca -0.16 -4.92 -0.41 0.00 -2.50 0.00 0.00 62.75 54.77 3dpq n ILE 438 Cb 0.53 -2.20 -0.03 0.00 0.54 0.00 0.00 39.64 38.47 3dpq n ILE 438 CO 0.00 0.00 0.00 -2.28 -2.50 0.00 0.00 176.55 171.77 3dpq s HIS 439 N -1.52 2.16 -0.00 9.51 5.65 -1.26 -2.74 115.29 127.08 3dpq s HIS 439 Ca 0.26 0.43 -0.30 0.00 0.25 0.00 0.00 55.06 55.70 3dpq s HIS 439 Cb -0.04 -4.38 -0.05 0.00 -1.18 0.00 0.00 32.58 26.94 3dpq s HIS 439 CO -0.16 -2.08 1.32 0.08 -0.65 0.00 0.00 174.74 173.25 3dpq s VAL 440 N 6.56 3.86 0.02 0.89 1.01 -0.42 -2.13 120.40 130.19 3dpq s VAL 440 Ca 0.52 1.25 0.03 0.00 0.00 0.00 0.00 61.98 63.79 3dpq s VAL 440 Cb -0.11 -3.81 -0.01 0.00 0.00 0.00 0.00 36.38 32.45 3dpq s VAL 440 CO 0.22 0.02 -0.10 -0.76 0.00 0.00 0.00 175.10 174.48 3dpq s LEU 441 N 2.12 2.11 -0.19 3.92 1.43 -0.99 -2.37 118.68 124.71 3dpq s LEU 441 Ca 0.61 -0.31 0.01 0.00 -1.03 0.00 0.00 54.13 53.41 3dpq s LEU 441 Cb -0.30 -0.41 0.03 0.00 0.03 0.00 0.00 46.19 45.54 3dpq s LEU 441 CO 0.26 0.02 -0.18 -1.58 0.23 0.00 0.00 176.35 175.09 3dpq s GLN 442 N -0.73 2.81 0.00 1.70 0.74 0.12 -1.64 119.66 122.67 3dpq s GLN 442 Ca -0.00 -0.88 0.00 0.00 0.05 0.00 0.00 55.36 54.53 3dpq s GLN 442 Cb -0.06 -2.57 0.00 0.00 1.10 0.00 0.00 33.01 31.48 3dpq s GLN 442 CO 0.00 -0.27 0.00 0.41 -0.55 0.00 0.00 175.29 174.89 3dpq n GLY 443 N 4.61 -0.69 0.00 2.59 0.00 0.17 -0.19 105.19 111.68 3dpq n GLY 443 Ca -0.20 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.78 3dpq n GLY 443 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dpq n GLU 444 N 0.00 6.16 -3.94 1.61 -0.58 -1.26 -3.11 120.64 119.51 3dpq n GLU 444 Ca 0.00 0.00 -0.37 0.00 -0.42 0.00 0.00 57.16 56.37 3dpq n GLU 444 Cb 0.00 -0.51 -0.07 0.00 -0.57 0.00 0.00 31.44 30.29 3dpq n GLU 444 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 3dpq s ARG 445 N -1.02 3.41 0.00 3.49 1.81 -1.26 -4.91 118.95 120.46 3dpq s ARG 445 Ca 0.00 -0.17 0.12 0.00 -1.72 0.00 0.00 55.73 53.96 3dpq s ARG 445 Cb 0.00 -3.15 0.60 0.00 -0.45 0.00 0.00 34.95 31.96 3dpq s ARG 445 CO 0.00 0.75 1.25 1.63 -0.68 0.00 0.00 175.30 178.25 3dpq n LYS 446 N 2.06 0.20 -3.30 3.54 4.76 -1.26 -4.13 118.16 120.02 3dpq n LYS 446 Ca -0.20 0.15 -0.46 0.00 -2.87 0.00 0.00 58.31 54.93 3dpq n LYS 446 Cb 0.55 -1.50 -0.01 0.00 -1.84 0.00 0.00 35.03 32.23 3dpq n LYS 446 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3dpq s ARG 447 N -2.48 3.91 0.34 1.97 0.52 -1.26 -2.71 118.95 119.24 3dpq s ARG 447 Ca 0.12 -2.81 0.14 0.00 -0.52 0.00 0.00 55.73 52.66 3dpq s ARG 447 Cb 0.08 -4.54 1.07 0.00 0.52 0.00 0.00 34.95 32.08 3dpq s ARG 447 CO 0.17 -1.30 1.65 0.00 0.02 0.00 0.00 175.30 175.83 3dpq h ALA 448 N 7.26 1.88 0.00 2.13 0.00 -1.37 1.61 119.26 130.77 3dpq h ALA 448 Ca 0.15 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.27 3dpq h ALA 448 Cb 0.95 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3dpq h ALA 448 CO 0.91 -0.62 0.00 0.00 0.00 0.00 0.00 179.25 179.54 3dpq n ALA 449 N -2.36 1.64 0.07 0.00 0.00 -1.26 -0.52 120.51 118.07 3dpq n ALA 449 Ca 0.31 -0.02 0.01 0.00 0.00 0.00 0.00 53.44 53.74 3dpq n ALA 449 Cb 0.99 -1.05 -0.00 0.00 0.00 0.00 0.00 19.45 19.38 3dpq n ALA 449 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3dpq n ASP 450 N -0.91 0.57 -5.02 0.00 8.00 0.55 -5.02 116.55 114.73 3dpq n ASP 450 Ca 0.02 -0.79 -0.19 0.00 0.71 0.00 0.00 54.79 54.54 3dpq n ASP 450 Cb 0.01 0.52 0.06 0.00 -0.02 0.00 0.00 41.12 41.69 3dpq n ASP 450 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 3dpq s ASN 451 N -0.66 5.14 -0.22 -2.24 0.01 0.32 -4.88 114.94 112.41 3dpq s ASN 451 Ca 0.01 -0.77 -0.18 0.00 -0.71 0.00 0.00 52.86 51.21 3dpq s ASN 451 Cb 0.01 0.16 -0.03 0.00 0.41 0.00 0.00 41.25 41.80 3dpq s ASN 451 CO 0.04 -1.29 0.51 -0.75 -1.51 0.00 0.00 177.10 174.10 3dpq s LYS 452 N -4.65 4.15 -0.39 -0.60 2.47 0.74 -4.85 119.74 116.61 3dpq s LYS 452 Ca 0.61 0.37 -0.22 0.00 -1.56 0.00 0.00 55.97 55.17 3dpq s LYS 452 Cb -0.06 -3.59 0.01 0.00 -1.46 0.00 0.00 37.83 32.73 3dpq s LYS 452 CO 0.38 -0.21 0.70 0.45 0.16 0.00 0.00 175.35 176.83 3dpq s SER 453 N 1.28 6.44 -0.05 1.43 0.15 -1.26 0.15 113.70 121.83 3dpq s SER 453 Ca 0.23 0.08 0.13 0.00 0.70 0.00 0.00 55.95 57.09 3dpq s SER 453 Cb -0.15 -2.35 -0.23 0.00 -1.71 0.00 0.00 66.02 61.57 3dpq s SER 453 CO 0.09 -0.72 0.62 0.18 1.20 0.00 0.00 173.24 174.62 3dpq n LEU 454 N 6.30 0.81 0.00 3.45 4.77 -1.00 -5.00 117.00 126.33 3dpq n LEU 454 Ca 0.00 0.39 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 3dpq n LEU 454 Cb 0.48 0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.77 3dpq n LEU 454 CO 0.53 0.39 0.00 0.61 -1.33 0.00 0.00 177.39 177.59 3dpq n GLY 455 N 1.57 -1.58 3.67 -0.72 0.00 -1.23 -4.98 105.19 101.91 3dpq n GLY 455 Ca -0.18 -1.09 -0.08 0.00 0.00 0.00 0.00 46.02 44.67 3dpq n GLY 455 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3dpq s GLN 456 N -1.40 1.60 0.15 1.61 -2.07 -1.26 -1.30 119.66 116.98 3dpq s GLN 456 Ca 0.00 -1.09 -0.24 0.00 -1.82 0.00 0.00 55.36 52.22 3dpq s GLN 456 Cb 0.00 0.53 0.07 0.00 -1.09 0.00 0.00 33.01 32.52 3dpq s GLN 456 CO 0.00 -0.69 0.62 -0.59 -1.32 0.00 0.00 175.29 173.30 3dpq s PHE 457 N -3.96 -0.53 0.27 9.60 -0.71 -1.11 -4.97 117.98 116.56 3dpq s PHE 457 Ca 0.16 0.34 0.07 0.00 -1.04 0.00 0.00 56.93 56.46 3dpq s PHE 457 Cb -0.03 0.55 -0.03 0.00 -1.21 0.00 0.00 43.02 42.31 3dpq s PHE 457 CO 0.06 -0.83 0.23 -0.80 -1.34 0.00 0.00 175.22 172.54 3dpq s ASN 458 N -2.69 5.55 -0.25 1.98 0.02 -1.26 0.21 114.94 118.50 3dpq s ASN 458 Ca 0.01 -0.26 -0.02 0.00 -1.02 0.00 0.00 52.86 51.57 3dpq s ASN 458 Cb -0.01 -1.37 0.12 0.00 0.02 0.00 0.00 41.25 40.02 3dpq s ASN 458 CO -0.12 -0.10 0.30 -0.22 0.02 0.00 0.00 177.10 176.99 3dpq s LEU 459 N -3.88 -0.34 0.00 0.60 2.96 0.04 -4.62 118.68 113.44 3dpq s LEU 459 Ca 0.34 -0.32 0.00 0.00 -0.22 0.00 0.00 54.13 53.93 3dpq s LEU 459 Cb -0.08 0.67 0.00 0.00 0.50 0.00 0.00 46.19 47.28 3dpq s LEU 459 CO 0.26 -0.35 0.00 -0.90 -1.32 0.00 0.00 176.35 174.04 3dpq n ASP 460 N 5.33 0.24 -0.42 3.68 5.75 -1.26 -1.19 116.55 128.67 3dpq n ASP 460 Ca -0.03 -0.16 -0.05 0.00 -0.01 0.00 0.00 54.79 54.54 3dpq n ASP 460 Cb 0.48 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.55 3dpq n ASP 460 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3dpq n GLY 461 N 5.00 0.72 3.65 6.12 0.00 -0.73 -4.87 105.19 115.07 3dpq n GLY 461 Ca 0.00 -0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 3dpq n GLY 461 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dpq s ILE 462 N -1.92 3.49 -0.02 -0.61 1.01 0.63 -4.94 121.20 118.84 3dpq s ILE 462 Ca 0.00 0.58 -0.30 0.00 0.00 0.00 0.00 60.65 60.93 3dpq s ILE 462 Cb 0.00 -3.43 -0.07 0.00 0.01 0.00 0.00 42.46 38.97 3dpq s ILE 462 CO 0.00 -0.11 1.83 0.20 0.00 0.00 0.00 174.94 176.86 3dpq s ASN 463 N 4.10 6.50 -0.48 3.58 -0.87 -1.26 -4.36 114.94 122.15 3dpq s ASN 463 Ca 0.77 2.42 -0.43 0.00 -1.57 0.00 0.00 52.86 54.05 3dpq s ASN 463 Cb -0.32 -2.53 -0.18 0.00 -0.02 0.00 0.00 41.25 38.19 3dpq s ASN 463 CO 0.31 -1.04 1.87 -2.65 -2.57 0.00 0.00 177.10 173.03 3dpq n PRO 464 N 7.42 0.00 -3.70 -0.60 -0.02 -1.26 -4.91 135.00 131.93 3dpq n PRO 464 Ca 0.19 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.53 3dpq n PRO 464 Cb 0.42 -1.43 -0.08 0.00 -0.02 0.00 0.00 33.50 32.39 3dpq n PRO 464 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3dpq s ALA 465 N 4.82 -1.04 0.82 3.55 0.00 -1.26 -4.91 121.76 123.74 3dpq s ALA 465 Ca 1.10 0.63 -0.13 0.00 0.00 0.00 0.00 51.96 53.56 3dpq s ALA 465 Cb -1.43 -0.01 0.08 0.00 0.00 0.00 0.00 23.12 21.76 3dpq s ALA 465 CO 0.67 -0.28 1.10 -2.30 0.00 0.00 0.00 175.76 174.95 3dpq n PRO 466 N 1.32 0.09 -1.48 0.00 -0.02 -1.26 -0.85 135.00 132.81 3dpq n PRO 466 Ca -0.20 0.11 -0.43 0.00 -2.02 0.00 0.00 63.50 60.95 3dpq n PRO 466 Cb 0.56 -2.35 -0.00 0.00 -0.02 0.00 0.00 33.50 31.69 3dpq n PRO 466 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 3dpq n ARG 467 N -3.10 0.67 -0.61 -0.52 1.85 -1.26 -2.61 116.66 111.08 3dpq n ARG 467 Ca 0.13 0.24 0.00 0.00 -1.00 0.00 0.00 57.85 57.22 3dpq n ARG 467 Cb 0.51 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.41 3dpq n ARG 467 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3dpq n GLY 468 N 1.68 0.35 0.10 2.89 0.00 -0.89 -4.78 105.19 104.54 3dpq n GLY 468 Ca 0.12 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.17 3dpq n GLY 468 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3dpq h MET 469 N 0.91 0.00 -7.43 1.61 2.86 -1.81 -3.45 114.93 107.62 3dpq h MET 469 Ca 0.00 0.00 -0.47 0.00 -2.06 0.00 0.00 59.70 57.17 3dpq h MET 469 Cb 0.00 0.00 0.13 0.00 0.06 0.00 0.00 31.60 31.79 3dpq h MET 469 CO 0.00 0.21 0.29 -2.14 1.06 0.00 0.00 176.91 176.33 3dpq s PRO 470 N -3.06 1.37 -0.30 -0.22 0.02 -1.26 -5.05 135.00 126.51 3dpq s PRO 470 Ca -0.02 0.51 -0.02 0.00 0.02 0.00 0.00 61.00 61.49 3dpq s PRO 470 Cb 0.09 -1.85 0.10 0.00 0.02 0.00 0.00 34.50 32.86 3dpq s PRO 470 CO 0.80 -2.09 0.11 -0.65 -0.33 0.00 0.00 177.00 174.85 3dpq s GLN 471 N -5.15 0.49 -0.36 5.54 -0.21 -1.26 -4.35 119.66 114.37 3dpq s GLN 471 Ca 0.63 -0.82 -0.15 0.00 0.02 0.00 0.00 55.36 55.04 3dpq s GLN 471 Cb -0.16 -1.66 -0.01 0.00 1.00 0.00 0.00 33.01 32.19 3dpq s GLN 471 CO 0.55 -0.98 0.36 0.42 -2.12 0.00 0.00 175.29 173.51 3dpq s ILE 472 N 1.83 5.17 -0.64 1.08 -1.09 -1.04 -1.38 121.20 125.12 3dpq s ILE 472 Ca 0.09 -0.07 -0.24 0.00 -2.23 0.00 0.00 60.65 58.20 3dpq s ILE 472 Cb -0.17 -3.85 0.05 0.00 -1.58 0.00 0.00 42.46 36.91 3dpq s ILE 472 CO -0.29 -0.15 1.03 -1.61 -1.23 0.00 0.00 174.94 172.69 3dpq s GLU 473 N 2.00 3.22 -0.34 2.79 2.02 0.28 -1.71 118.70 126.95 3dpq s GLU 473 Ca 0.11 -0.47 -0.23 0.00 0.02 0.00 0.00 54.97 54.40 3dpq s GLU 473 Cb -0.17 -4.15 0.01 0.00 0.10 0.00 0.00 34.13 29.92 3dpq s GLU 473 CO 0.12 -1.77 0.79 0.08 0.02 0.00 0.00 175.26 174.50 3dpq s VAL 474 N 4.41 4.76 -0.19 2.63 1.01 -0.46 -2.39 120.40 130.17 3dpq s VAL 474 Ca 0.28 1.01 -0.03 0.00 0.00 0.00 0.00 61.98 63.25 3dpq s VAL 474 Cb -0.13 -4.18 -0.01 0.00 0.00 0.00 0.00 36.38 32.06 3dpq s VAL 474 CO 0.15 -0.36 -0.08 -0.89 0.00 0.00 0.00 175.10 173.93 3dpq s THR 475 N 3.04 3.25 -0.20 3.92 2.01 -0.23 -1.14 115.64 126.29 3dpq s THR 475 Ca 0.32 -0.55 0.01 0.00 0.31 0.00 0.00 61.69 61.77 3dpq s THR 475 Cb -0.14 -2.44 0.02 0.00 0.01 0.00 0.00 72.50 69.96 3dpq s THR 475 CO 0.15 0.46 -0.16 -0.36 -0.69 0.00 0.00 174.62 174.02 3dpq s PHE 476 N 1.05 2.89 -0.17 4.92 0.40 -0.41 -1.93 117.98 124.73 3dpq s PHE 476 Ca 0.00 -1.69 -0.04 0.00 -0.60 0.00 0.00 56.93 54.60 3dpq s PHE 476 Cb -0.15 -1.95 0.07 0.00 0.51 0.00 0.00 43.02 41.51 3dpq s PHE 476 CO -0.01 -0.79 0.15 0.34 0.70 0.00 0.00 175.22 175.61 3dpq s ASP 477 N 1.28 1.70 -0.11 1.36 3.68 -0.84 -0.69 116.67 123.05 3dpq s ASP 477 Ca 0.03 -0.31 0.01 0.00 2.13 0.00 0.00 52.55 54.41 3dpq s ASP 477 Cb -0.14 0.09 -0.01 0.00 -1.45 0.00 0.00 42.92 41.41 3dpq s ASP 477 CO -0.10 -0.32 -0.16 -0.63 0.13 0.00 0.00 175.17 174.08 3dpq s ILE 478 N 2.24 2.83 0.00 4.11 1.01 -1.16 -0.51 121.20 129.73 3dpq s ILE 478 Ca 0.04 -0.75 0.00 0.00 0.00 0.00 0.00 60.65 59.94 3dpq s ILE 478 Cb -0.15 -2.16 0.00 0.00 0.01 0.00 0.00 42.46 40.16 3dpq s ILE 478 CO -0.10 0.54 0.00 -0.90 0.00 0.00 0.00 174.94 174.48 3dpq n ASP 479 N 3.35 0.00 -0.00 3.58 5.68 -0.97 -2.57 116.55 125.62 3dpq n ASP 479 Ca -0.18 0.00 0.10 0.00 -0.50 0.00 0.00 54.79 54.20 3dpq n ASP 479 Cb 0.53 0.00 -0.12 0.00 -1.14 0.00 0.00 41.12 40.39 3dpq n ASP 479 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3dpq n ALA 480 N -3.00 4.37 1.45 2.12 0.00 -1.26 -2.74 120.51 121.46 3dpq n ALA 480 Ca 0.00 -0.56 0.14 0.00 0.00 0.00 0.00 53.44 53.02 3dpq n ALA 480 Cb 0.00 -0.73 0.50 0.00 0.00 0.00 0.00 19.45 19.23 3dpq n ALA 480 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3dpq n ASP 481 N -1.57 1.37 -0.71 0.00 -0.08 -1.26 -4.90 116.55 109.40 3dpq n ASP 481 Ca 0.03 -1.36 -0.03 0.00 -1.51 0.00 0.00 54.79 51.92 3dpq n ASP 481 Cb 0.34 0.03 0.01 0.00 2.34 0.00 0.00 41.12 43.83 3dpq n ASP 481 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3dpq n GLY 482 N 1.21 0.66 3.68 0.27 0.00 -1.11 -4.80 105.19 105.09 3dpq n GLY 482 Ca 0.18 -0.63 -0.36 0.00 0.00 0.00 0.00 46.02 45.21 3dpq n GLY 482 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dpq s ILE 483 N -2.81 5.35 -0.20 -0.61 1.01 -1.26 -3.83 121.20 118.85 3dpq s ILE 483 Ca 0.05 0.26 -0.15 0.00 0.00 0.00 0.00 60.65 60.81 3dpq s ILE 483 Cb -0.02 -3.53 -0.04 0.00 0.01 0.00 0.00 42.46 38.88 3dpq s ILE 483 CO 0.06 0.35 0.38 -0.22 0.00 0.00 0.00 174.94 175.51 3dpq s LEU 484 N 0.94 4.15 -0.17 2.97 2.96 -1.06 -2.29 118.68 126.19 3dpq s LEU 484 Ca 0.09 0.48 -0.02 0.00 -0.22 0.00 0.00 54.13 54.47 3dpq s LEU 484 Cb -0.13 -2.48 -0.01 0.00 0.50 0.00 0.00 46.19 44.07 3dpq s LEU 484 CO 0.04 -0.06 -0.09 -1.00 -1.32 0.00 0.00 176.35 173.91 3dpq s HIS 485 N 1.28 2.89 -0.13 5.38 3.76 0.34 0.27 115.29 129.08 3dpq s HIS 485 Ca 0.18 -0.76 0.03 0.00 -0.15 0.00 0.00 55.06 54.36 3dpq s HIS 485 Cb -0.15 -1.95 0.00 0.00 1.11 0.00 0.00 32.58 31.59 3dpq s HIS 485 CO 0.08 -0.34 -0.22 0.08 -0.85 0.00 0.00 174.74 173.49 3dpq s VAL 486 N 0.80 2.13 -0.05 -0.90 1.01 -0.49 -1.98 120.40 120.93 3dpq s VAL 486 Ca -0.03 -0.97 -0.02 0.00 0.00 0.00 0.00 61.98 60.96 3dpq s VAL 486 Cb -0.15 -1.84 0.03 0.00 0.00 0.00 0.00 36.38 34.42 3dpq s VAL 486 CO 0.01 0.55 0.05 -0.94 0.00 0.00 0.00 175.10 174.77 3dpq s SER 487 N 0.61 1.20 -0.08 3.32 1.04 -0.81 -0.46 113.70 118.53 3dpq s SER 487 Ca -0.12 0.05 0.01 0.00 0.48 0.00 0.00 55.95 56.38 3dpq s SER 487 Cb -0.16 -0.19 -0.03 0.00 0.10 0.00 0.00 66.02 65.74 3dpq s SER 487 CO 0.03 -0.24 -0.10 0.00 0.98 0.00 0.00 173.24 173.91 3dpq s ALA 488 N 2.11 2.83 -0.08 5.32 0.00 -1.10 -1.06 121.76 129.78 3dpq s ALA 488 Ca 0.05 -0.91 -0.01 0.00 0.00 0.00 0.00 51.96 51.09 3dpq s ALA 488 Cb -0.12 -1.17 0.03 0.00 0.00 0.00 0.00 23.12 21.85 3dpq s ALA 488 CO -0.03 0.49 -0.03 0.21 0.00 0.00 0.00 175.76 176.40 3dpq s LYS 489 N -0.52 0.87 0.06 0.00 2.20 -1.00 -4.01 119.74 117.34 3dpq s LYS 489 Ca 0.07 -0.01 -0.31 0.00 -0.36 0.00 0.00 55.97 55.36 3dpq s LYS 489 Cb -0.12 -1.10 -0.06 0.00 -1.51 0.00 0.00 37.83 35.04 3dpq s LYS 489 CO 0.02 -0.26 1.33 0.34 -0.36 0.00 0.00 175.35 176.42 3dpq s ASP 490 N 1.74 6.92 0.09 1.43 2.15 -1.26 1.00 116.67 128.74 3dpq s ASP 490 Ca 0.02 2.15 0.25 0.00 0.43 0.00 0.00 52.55 55.40 3dpq s ASP 490 Cb -0.13 -2.58 0.44 0.00 -0.30 0.00 0.00 42.92 40.36 3dpq s ASP 490 CO -0.05 -0.61 1.39 1.17 -0.17 0.00 0.00 175.17 176.90 3dpq n LYS 491 N 4.39 0.22 0.09 4.34 4.81 -0.48 0.11 118.16 131.64 3dpq n LYS 491 Ca 0.11 0.07 0.12 0.00 -0.87 0.00 0.00 58.31 57.74 3dpq n LYS 491 Cb 0.44 -1.64 0.08 0.00 0.02 0.00 0.00 35.03 33.93 3dpq n LYS 491 CO 0.00 0.00 0.00 -0.97 1.17 0.00 0.00 177.40 177.60 3dpq h ASN 492 N 0.00 0.00 0.00 3.14 -1.24 -1.91 -3.39 115.58 112.18 3dpq h ASN 492 Ca 0.00 -0.11 0.00 0.00 0.71 0.00 0.00 56.30 56.90 3dpq h ASN 492 Cb 0.68 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.73 3dpq h ASN 492 CO 0.00 0.05 0.00 -1.54 -1.29 0.00 0.00 177.43 174.65 3dpq n SER 493 N -2.43 0.02 -0.45 1.15 3.41 -1.15 -4.99 113.62 109.17 3dpq n SER 493 Ca 0.02 -0.41 -0.05 0.00 -0.26 0.00 0.00 58.87 58.16 3dpq n SER 493 Cb 0.50 0.03 -0.02 0.00 -0.26 0.00 0.00 64.21 64.46 3dpq n SER 493 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dpq n GLY 494 N 0.03 0.50 3.14 5.00 0.00 0.31 -4.90 105.19 109.28 3dpq n GLY 494 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 3dpq n GLY 494 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3dpq n LYS 495 N -0.04 -2.20 0.01 1.61 4.81 -1.20 -4.78 118.16 116.37 3dpq n LYS 495 Ca -0.05 -0.64 -0.01 0.00 -0.87 0.00 0.00 58.31 56.73 3dpq n LYS 495 Cb 0.48 -1.60 -0.01 0.00 0.02 0.00 0.00 35.03 33.92 3dpq n LYS 495 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 3dpq h GLU 496 N -2.49 -0.08 -7.03 1.64 5.08 -1.90 -3.37 114.58 106.43 3dpq h GLU 496 Ca -0.39 0.01 -0.55 0.00 -1.00 0.00 0.00 59.36 57.43 3dpq h GLU 496 Cb 1.08 0.02 0.13 0.00 0.50 0.00 0.00 28.75 30.48 3dpq h GLU 496 CO 0.26 -0.05 0.65 -0.65 -1.00 0.00 0.00 179.01 178.22 3dpq s GLN 497 N -1.67 3.32 0.02 2.33 -1.52 -1.26 -4.86 119.66 116.03 3dpq s GLN 497 Ca -0.01 2.32 0.02 0.00 -1.95 0.00 0.00 55.36 55.74 3dpq s GLN 497 Cb 0.00 -2.40 -0.01 0.00 -0.22 0.00 0.00 33.01 30.38 3dpq s GLN 497 CO 0.04 -1.07 -0.07 0.15 -0.25 0.00 0.00 175.29 174.08 3dpq s LYS 498 N -2.74 0.50 0.36 2.91 1.02 -1.26 -2.73 119.74 117.79 3dpq s LYS 498 Ca 0.68 -0.47 0.07 0.00 0.02 0.00 0.00 55.97 56.27 3dpq s LYS 498 Cb -0.42 -0.39 -0.03 0.00 -0.52 0.00 0.00 37.83 36.48 3dpq s LYS 498 CO 0.52 0.09 0.24 -1.50 -0.92 0.00 0.00 175.35 173.78 3dpq s ILE 499 N -0.72 0.14 -0.21 2.17 2.07 0.40 -5.02 121.20 120.04 3dpq s ILE 499 Ca -0.03 -2.00 -0.04 0.00 -1.41 0.00 0.00 60.65 57.17 3dpq s ILE 499 Cb -0.06 -2.44 0.11 0.00 0.13 0.00 0.00 42.46 40.20 3dpq s ILE 499 CO 0.00 0.00 0.33 -0.89 -1.91 0.00 0.00 174.94 172.47 3dpq s THR 500 N -3.36 -0.51 -0.32 4.00 2.01 -1.26 -1.39 115.64 114.81 3dpq s THR 500 Ca 0.36 -0.01 -0.23 0.00 0.31 0.00 0.00 61.69 62.12 3dpq s THR 500 Cb 0.02 -0.71 0.00 0.00 0.01 0.00 0.00 72.50 71.82 3dpq s THR 500 CO 0.24 -0.09 0.78 -0.63 -0.69 0.00 0.00 174.62 174.24 3dpq s ILE 501 N 2.48 4.78 0.22 1.82 1.01 0.14 -4.95 121.20 126.70 3dpq s ILE 501 Ca 0.08 1.10 -0.31 0.00 0.00 0.00 0.00 60.65 61.52 3dpq s ILE 501 Cb -0.15 -4.16 -0.15 0.00 0.01 0.00 0.00 42.46 38.01 3dpq s ILE 501 CO -0.13 -0.30 1.11 0.29 0.00 0.00 0.00 174.94 175.91 3dpq n LYS 502 N 6.26 1.29 0.19 2.79 4.76 -1.26 -2.55 118.16 129.64 3dpq n LYS 502 Ca 0.03 0.45 0.14 0.00 -2.87 0.00 0.00 58.31 56.07 3dpq n LYS 502 Cb 0.48 -1.91 0.48 0.00 -1.84 0.00 0.00 35.03 32.24 3dpq n LYS 502 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3dpq h ALA 503 N 2.85 1.00 0.00 7.82 0.00 -1.87 -2.54 119.26 126.52 3dpq h ALA 503 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3dpq h ALA 503 Cb 1.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.13 3dpq h ALA 503 CO 0.67 0.00 0.00 0.43 0.00 0.00 0.00 179.25 180.35 3dpq n SER 504 N -2.71 0.39 -2.19 0.00 7.64 -1.26 -4.82 113.62 110.67 3dpq n SER 504 Ca 0.03 -0.99 -0.02 0.00 1.01 0.00 0.00 58.87 58.89 3dpq n SER 504 Cb 0.35 -0.20 0.01 0.00 -1.01 0.00 0.00 64.21 63.37 3dpq n SER 504 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3dpq n SER 505 N 0.09 0.08 0.00 6.43 7.64 -0.96 -5.00 113.62 121.90 3dpq n SER 505 Ca 0.00 -1.08 0.00 0.00 1.01 0.00 0.00 58.87 58.80 3dpq n SER 505 Cb 0.10 -0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 3dpq n SER 505 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3dpq n GLY 506 N 4.40 0.85 3.82 0.23 0.00 -1.26 -4.73 105.19 108.50 3dpq n GLY 506 Ca 0.01 -0.60 -0.33 0.00 0.00 0.00 0.00 46.02 45.10 3dpq n GLY 506 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dpq s LEU 507 N 0.00 3.94 0.00 0.99 1.43 -1.26 -5.07 118.68 118.71 3dpq s LEU 507 Ca 0.00 1.67 0.00 0.00 -1.03 0.00 0.00 54.13 54.77 3dpq s LEU 507 Cb 0.00 -4.52 0.00 0.00 0.03 0.00 0.00 46.19 41.70 3dpq s LEU 507 CO 0.00 -0.36 0.03 -0.46 0.23 0.00 0.00 176.35 175.79 3dpq n ASN 508 N -0.66 0.06 0.00 2.29 6.94 -1.26 -4.66 115.26 117.97 3dpq n ASN 508 Ca 0.07 -1.05 0.00 0.00 -0.02 0.00 0.00 54.58 53.58 3dpq n ASN 508 Cb 0.54 -0.02 0.00 0.00 -2.36 0.00 0.00 39.78 37.94 3dpq n ASN 508 CO 0.00 0.00 0.00 1.21 -1.03 0.00 0.00 177.26 177.44 3dpq n GLU 509 N -1.05 0.00 -0.05 -3.83 4.07 -1.26 0.28 120.64 118.80 3dpq n GLU 509 Ca 0.01 0.49 0.15 0.00 -0.06 0.00 0.00 57.16 57.75 3dpq n GLU 509 Cb 0.02 -0.95 0.58 0.00 -0.06 0.00 0.00 31.44 31.03 3dpq n GLU 509 CO 0.00 0.00 0.00 0.22 -0.06 0.00 0.00 177.13 177.29 3dpq h ASP 510 N 0.00 0.22 1.25 4.31 1.82 -1.98 0.47 116.42 122.51 3dpq h ASP 510 Ca 0.00 0.01 -0.14 0.00 -0.39 0.00 0.00 57.03 56.51 3dpq h ASP 510 Cb 0.00 -0.04 -0.02 0.00 0.68 0.00 0.00 39.33 39.95 3dpq h ASP 510 CO 0.00 0.13 -0.65 -0.33 -1.61 0.00 0.00 179.24 176.77 3dpq h GLU 511 N 0.24 0.00 -0.14 0.28 5.08 -1.59 0.14 114.58 118.59 3dpq h GLU 511 Ca 0.27 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.57 3dpq h GLU 511 Cb 0.75 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.00 3dpq h GLU 511 CO -0.06 0.65 -0.16 0.82 -1.00 0.00 0.00 179.01 179.26 3dpq h ILE 512 N 0.00 1.35 -0.27 3.13 2.04 0.84 0.63 117.51 125.24 3dpq h ILE 512 Ca -0.01 -1.35 -0.02 0.00 1.00 0.00 0.00 64.86 64.49 3dpq h ILE 512 Cb 1.45 1.92 -0.01 0.00 -0.74 0.00 0.00 36.82 39.44 3dpq h ILE 512 CO 0.08 0.40 0.11 -0.61 0.00 0.00 0.00 178.15 178.13 3dpq h GLN 513 N -0.02 0.41 0.67 2.37 4.15 -0.61 -0.49 115.11 121.58 3dpq h GLN 513 Ca 0.02 -0.07 -0.03 0.00 0.77 0.00 0.00 58.65 59.33 3dpq h GLN 513 Cb 0.71 -0.07 0.01 0.00 0.21 0.00 0.00 27.48 28.34 3dpq h GLN 513 CO 0.04 0.44 -0.32 0.87 -1.93 0.00 0.00 178.83 177.92 3dpq h LYS 514 N 0.29 -0.87 -0.96 1.69 1.57 -0.62 -2.61 116.57 115.07 3dpq h LYS 514 Ca 0.09 0.06 0.14 0.00 -1.87 0.00 0.00 60.65 59.07 3dpq h LYS 514 Cb 0.18 0.20 -0.15 0.00 0.08 0.00 0.00 32.23 32.54 3dpq h LYS 514 CO -0.01 -0.58 -0.39 -0.12 -0.57 0.00 0.00 179.45 177.78 3dpq n MET 515 N -4.45 -0.24 0.00 3.15 1.56 0.22 -1.45 117.12 115.90 3dpq n MET 515 Ca -0.11 1.47 0.00 0.00 -0.27 0.00 0.00 57.70 58.79 3dpq n MET 515 Cb 0.36 -2.18 0.00 0.00 2.15 0.00 0.00 33.22 33.55 3dpq n MET 515 CO 0.00 0.00 0.00 0.28 -0.73 0.00 0.00 175.97 175.52 3dpq n VAL 516 N -5.39 0.00 -0.30 1.12 0.31 -0.20 -2.55 118.33 111.31 3dpq n VAL 516 Ca 0.09 1.06 -0.00 0.00 -0.01 0.00 0.00 64.34 65.48 3dpq n VAL 516 Cb 0.37 -1.64 0.04 0.00 -0.91 0.00 0.00 33.84 31.69 3dpq n VAL 516 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3dpq n ARG 517 N -1.16 -0.18 0.24 5.55 1.74 -0.53 -1.57 116.66 120.76 3dpq n ARG 517 Ca 0.00 1.21 0.11 0.00 -0.77 0.00 0.00 57.85 58.40 3dpq n ARG 517 Cb 0.00 -1.79 0.60 0.00 -1.02 0.00 0.00 32.46 30.25 3dpq n ARG 517 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 3dpq h ASP 518 N 0.00 0.00 0.17 0.55 5.19 -1.13 1.12 116.42 122.32 3dpq h ASP 518 Ca 0.28 0.00 -0.26 0.00 -0.62 0.00 0.00 57.03 56.43 3dpq h ASP 518 Cb 0.47 0.00 0.03 0.00 0.18 0.00 0.00 39.33 40.01 3dpq h ASP 518 CO -0.78 0.18 -1.13 0.00 -3.12 0.00 0.00 179.24 174.39 3dpq h ALA 519 N 1.82 -0.09 -0.76 3.45 0.00 -1.12 -2.97 119.26 119.60 3dpq h ALA 519 Ca -0.00 -0.76 0.14 0.00 0.00 0.00 0.00 54.91 54.29 3dpq h ALA 519 Cb 0.54 0.13 -0.14 0.00 0.00 0.00 0.00 17.79 18.32 3dpq h ALA 519 CO 0.02 0.55 -0.27 1.49 0.00 0.00 0.00 179.25 181.05 3dpq h GLU 520 N -0.02 -0.05 0.00 0.00 4.57 0.19 0.43 114.58 119.70 3dpq h GLU 520 Ca -0.19 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.99 3dpq h GLU 520 Cb 1.86 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 30.47 3dpq h GLU 520 CO 0.21 -0.03 0.00 0.00 -1.18 0.00 0.00 179.01 178.01 3dpq h ALA 521 N 1.49 1.00 -0.31 2.92 0.00 -0.90 -3.25 119.26 120.21 3dpq h ALA 521 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.24 3dpq h ALA 521 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3dpq h ALA 521 CO -0.80 0.00 0.00 0.09 0.00 0.00 0.00 179.25 178.54 3dpq n ASN 522 N -2.82 3.38 0.16 0.00 3.02 0.14 -4.69 115.26 114.44 3dpq n ASN 522 Ca 0.03 -2.46 -0.16 0.00 -0.03 0.00 0.00 54.58 51.95 3dpq n ASN 522 Cb 0.38 -0.37 -0.09 0.00 -0.61 0.00 0.00 39.78 39.08 3dpq n ASN 522 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3dpq h ALA 523 N 1.95 -0.97 -0.39 5.41 0.00 -1.38 -1.42 119.26 122.46 3dpq h ALA 523 Ca 0.00 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 54.87 3dpq h ALA 523 Cb 1.06 0.81 -0.09 0.00 0.00 0.00 0.00 17.79 19.57 3dpq h ALA 523 CO 0.10 -1.11 -0.22 1.49 0.00 0.00 0.00 179.25 179.52 3dpq h GLU 524 N -0.79 -0.15 -0.62 0.00 4.57 -1.89 0.59 114.58 116.29 3dpq h GLU 524 Ca -0.01 0.01 0.08 0.00 -1.18 0.00 0.00 59.36 58.26 3dpq h GLU 524 Cb 0.77 0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 29.36 3dpq h GLU 524 CO -0.22 -0.10 0.41 0.00 -1.18 0.00 0.00 179.01 177.92 3dpq h ALA 525 N 1.07 1.88 -0.45 2.92 0.00 -1.82 -0.45 119.26 122.40 3dpq h ALA 525 Ca 0.19 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.94 3dpq h ALA 525 Cb 0.45 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3dpq h ALA 525 CO -0.48 0.00 -0.27 -0.44 0.00 0.00 0.00 179.25 178.06 3dpq h ASP 526 N 0.54 1.02 -0.61 0.00 5.19 0.12 -2.07 116.42 120.60 3dpq h ASP 526 Ca 0.28 -0.42 0.03 0.00 -0.62 0.00 0.00 57.03 56.30 3dpq h ASP 526 Cb 0.39 -0.28 -0.03 0.00 0.18 0.00 0.00 39.33 39.58 3dpq h ASP 526 CO -0.08 1.21 0.41 0.03 -3.12 0.00 0.00 179.24 177.69 3dpq h ARG 527 N 0.82 0.70 -0.05 3.56 3.08 0.59 -2.11 114.38 120.98 3dpq h ARG 527 Ca 0.09 -0.04 -0.18 0.00 0.07 0.00 0.00 59.98 59.92 3dpq h ARG 527 Cb 0.85 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.74 3dpq h ARG 527 CO 0.08 0.46 -0.76 -0.22 -1.07 0.00 0.00 179.97 178.45 3dpq h LYS 528 N 0.72 0.31 -0.00 0.04 3.11 -0.86 0.17 116.57 120.05 3dpq h LYS 528 Ca 0.25 -0.27 -0.00 0.00 -2.81 0.00 0.00 60.65 57.81 3dpq h LYS 528 Cb 0.09 0.06 -0.00 0.00 -1.00 0.00 0.00 32.23 31.38 3dpq h LYS 528 CO -0.07 0.93 0.00 0.35 -2.81 0.00 0.00 179.45 177.86 3dpq h PHE 529 N 0.20 0.00 0.86 1.91 3.57 -0.93 -1.59 116.94 120.96 3dpq h PHE 529 Ca -0.03 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.43 3dpq h PHE 529 Cb 1.34 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.08 3dpq h PHE 529 CO 0.04 0.16 -0.48 1.49 -2.23 0.00 0.00 178.31 177.28 3dpq h GLU 530 N -0.15 -1.19 -0.95 1.11 4.22 -1.07 2.15 114.58 118.70 3dpq h GLU 530 Ca 0.00 0.08 0.18 0.00 0.08 0.00 0.00 59.36 59.70 3dpq h GLU 530 Cb 0.15 0.27 -0.17 0.00 0.50 0.00 0.00 28.75 29.50 3dpq h GLU 530 CO -0.00 -0.79 -0.27 0.39 -2.18 0.00 0.00 179.01 176.15 3dpq n GLU 531 N -5.63 -0.12 -0.05 1.92 1.02 0.02 0.16 120.64 117.95 3dpq n GLU 531 Ca -0.15 1.47 -0.11 0.00 -0.02 0.00 0.00 57.16 58.34 3dpq n GLU 531 Cb 0.51 -2.19 0.02 0.00 -0.02 0.00 0.00 31.44 29.76 3dpq n GLU 531 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3dpq h LEU 532 N 0.00 0.81 -1.41 -4.62 5.85 -0.05 -2.65 115.31 113.24 3dpq h LEU 532 Ca 0.42 -0.40 0.00 0.00 0.84 0.00 0.00 57.88 58.74 3dpq h LEU 532 Cb 0.65 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.43 3dpq h LEU 532 CO -0.96 1.14 0.36 0.58 -0.34 0.00 0.00 178.44 179.22 3dpq h VAL 533 N 0.59 1.15 0.00 1.05 2.07 0.77 0.58 116.25 122.46 3dpq h VAL 533 Ca 0.03 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 3dpq h VAL 533 Cb 1.03 0.33 -0.00 0.00 -1.52 0.00 0.00 31.29 31.12 3dpq h VAL 533 CO 0.10 0.15 -0.05 -0.61 0.02 0.00 0.00 177.57 177.19 3dpq h GLN 534 N 0.78 0.00 0.00 1.57 4.15 -0.38 -0.23 115.11 121.00 3dpq h GLN 534 Ca 0.21 0.00 -0.38 0.00 0.77 0.00 0.00 58.65 59.24 3dpq h GLN 534 Cb -0.06 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 27.56 3dpq h GLN 534 CO -0.04 0.05 -2.43 2.41 -1.93 0.00 0.00 178.83 176.88 3dpq n THR 535 N -3.29 1.48 0.14 2.39 -1.04 -0.85 -3.44 114.28 109.67 3dpq n THR 535 Ca -0.01 -0.64 0.05 0.00 -2.04 0.00 0.00 64.05 61.41 3dpq n THR 535 Cb 0.21 -1.22 0.50 0.00 -1.82 0.00 0.00 70.33 68.00 3dpq n THR 535 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 3dpq h ARG 536 N 0.00 0.24 0.12 -2.82 2.43 -0.14 0.45 114.38 114.66 3dpq h ARG 536 Ca -0.56 -0.03 -0.18 0.00 -0.81 0.00 0.00 59.98 58.40 3dpq h ARG 536 Cb 1.98 -0.05 0.01 0.00 -0.42 0.00 0.00 29.97 31.50 3dpq h ARG 536 CO -0.05 0.22 -0.84 -0.91 -1.51 0.00 0.00 179.97 176.88 3dpq h ASN 537 N 0.24 0.38 -0.38 -3.80 2.35 -1.25 -2.25 115.58 110.88 3dpq h ASN 537 Ca 0.06 -0.93 0.07 0.00 -0.55 0.00 0.00 56.30 54.96 3dpq h ASN 537 Cb 0.09 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 3dpq h ASN 537 CO -0.00 1.39 0.26 1.56 -1.65 0.00 0.00 177.43 178.99 3dpq h GLN 538 N -0.46 0.19 -0.00 0.81 4.20 -1.33 0.47 115.11 118.98 3dpq h GLN 538 Ca -0.16 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.53 3dpq h GLN 538 Cb 1.58 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 29.32 3dpq h GLN 538 CO 0.10 0.12 -0.01 0.78 -0.67 0.00 0.00 178.83 179.16 3dpq h GLY 539 N 0.19 0.01 -0.81 3.46 0.00 -0.17 -2.05 103.07 103.70 3dpq h GLY 539 Ca 0.17 -0.01 0.16 0.00 0.00 0.00 0.00 47.33 47.65 3dpq h GLY 539 CO -0.03 0.01 -0.31 -1.80 0.00 0.00 0.00 176.54 174.41 3dpq h ASP 540 N -0.78 -1.13 -0.08 0.19 -0.00 -0.62 1.00 116.42 115.00 3dpq h ASP 540 Ca -0.00 0.28 0.01 0.00 -0.00 0.00 0.00 57.03 57.32 3dpq h ASP 540 Cb 0.79 0.64 -0.01 0.00 -0.00 0.00 0.00 39.33 40.75 3dpq h ASP 540 CO 0.00 -0.30 -0.00 0.45 -0.00 0.00 0.00 179.24 179.39 3dpq h HIS 541 N -0.03 -0.01 -0.05 0.28 3.86 -0.04 -1.67 115.15 117.50 3dpq h HIS 541 Ca 0.36 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.58 3dpq h HIS 541 Cb 0.62 0.01 -0.00 0.00 1.06 0.00 0.00 27.41 29.10 3dpq h HIS 541 CO -0.76 -0.01 0.03 1.25 0.86 0.00 0.00 177.93 179.30 3dpq h LEU 542 N 0.03 0.05 0.45 2.43 5.85 -0.30 -2.68 115.31 121.14 3dpq h LEU 542 Ca 0.04 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 3dpq h LEU 542 Cb 0.04 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.06 3dpq h LEU 542 CO -0.06 0.04 -0.22 0.25 -0.34 0.00 0.00 178.44 178.11 3dpq h LEU 543 N 0.06 -0.51 0.49 2.25 6.46 0.03 -2.72 115.31 121.37 3dpq h LEU 543 Ca 0.02 -0.09 -0.02 0.00 -0.12 0.00 0.00 57.88 57.66 3dpq h LEU 543 Cb -0.00 0.13 0.00 0.00 -0.73 0.00 0.00 40.66 40.07 3dpq h LEU 543 CO -0.00 -0.15 -0.24 0.45 -0.62 0.00 0.00 178.44 177.88 3dpq h HIS 544 N -0.92 -0.61 -0.81 1.25 3.86 -1.11 -2.60 115.15 114.20 3dpq h HIS 544 Ca -0.06 -0.01 0.11 0.00 -1.16 0.00 0.00 60.37 59.24 3dpq h HIS 544 Cb 0.58 0.20 -0.06 0.00 1.06 0.00 0.00 27.41 29.19 3dpq h HIS 544 CO 0.01 -0.34 0.53 1.03 0.86 0.00 0.00 177.93 180.02 3dpq h SER 545 N -0.75 0.65 0.33 2.45 0.87 -1.62 -0.94 113.55 114.53 3dpq h SER 545 Ca -0.07 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.50 3dpq h SER 545 Cb 0.55 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 62.39 3dpq h SER 545 CO 0.11 0.38 -0.21 0.74 -0.53 0.00 0.00 176.83 177.32 3dpq h THR 546 N 0.72 0.00 -0.48 2.23 2.02 -1.13 1.73 112.91 118.00 3dpq h THR 546 Ca 0.38 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.70 3dpq h THR 546 Cb 0.51 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.90 3dpq h THR 546 CO -0.15 0.00 0.61 0.03 0.37 0.00 0.00 175.52 176.38 3dpq h ARG 547 N -0.50 0.00 -0.09 6.66 3.08 -1.30 5.05 114.38 127.27 3dpq h ARG 547 Ca -0.04 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.83 3dpq h ARG 547 Cb 0.41 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 3dpq h ARG 547 CO 0.04 0.00 -0.70 -0.22 -1.07 0.00 0.00 179.97 178.02 3dpq h LYS 548 N 0.00 0.41 -0.05 0.04 3.64 0.25 -1.26 116.57 119.61 3dpq h LYS 548 Ca 0.23 -0.33 -0.10 0.00 -1.27 0.00 0.00 60.65 59.18 3dpq h LYS 548 Cb 1.45 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 33.32 3dpq h LYS 548 CO -0.00 0.96 -0.45 0.37 -2.27 0.00 0.00 179.45 178.05 3dpq h GLN 549 N 0.29 0.11 0.12 1.90 5.75 2.24 -2.14 115.11 123.37 3dpq h GLN 549 Ca -0.03 -0.05 -0.19 0.00 -0.15 0.00 0.00 58.65 58.23 3dpq h GLN 549 Cb 1.27 0.00 0.01 0.00 1.07 0.00 0.00 27.48 29.83 3dpq h GLN 549 CO 0.12 0.54 -0.92 0.28 -2.65 0.00 0.00 178.83 176.21 3dpq h VAL 550 N 0.09 1.39 0.00 2.39 2.07 0.25 -3.35 116.25 119.09 3dpq h VAL 550 Ca 0.00 -2.47 0.00 0.00 0.82 0.00 0.00 66.70 65.05 3dpq h VAL 550 Cb 0.84 3.06 0.00 0.00 -1.52 0.00 0.00 31.29 33.66 3dpq h VAL 550 CO 0.06 0.69 0.00 -0.08 0.02 0.00 0.00 177.57 178.26 3dpq h GLU 551 N -0.44 0.00 -0.29 1.57 4.81 -0.92 -1.80 114.58 117.52 3dpq h GLU 551 Ca -0.18 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.05 3dpq h GLU 551 Cb 1.60 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.98 3dpq h GLU 551 CO 0.10 0.00 0.00 -0.85 -0.73 0.00 0.00 179.01 177.53 3dpq n GLU 552 N -2.80 2.36 -0.01 1.92 0.28 -0.83 -4.07 120.64 117.48 3dpq n GLU 552 Ca 0.03 -2.14 -0.21 0.00 -0.16 0.00 0.00 57.16 54.68 3dpq n GLU 552 Cb 0.37 -1.47 -0.14 0.00 1.43 0.00 0.00 31.44 31.63 3dpq n GLU 552 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3dpq n ALA 553 N 1.37 0.92 0.00 -1.84 0.00 -0.68 -5.03 120.51 115.25 3dpq n ALA 553 Ca 0.17 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 52.99 3dpq n ALA 553 Cb 0.58 -0.62 0.00 0.00 0.00 0.00 0.00 19.45 19.41 3dpq n ALA 553 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dpq n GLY 554 N 1.96 -0.41 0.85 0.00 0.00 -1.22 -3.48 105.19 102.89 3dpq n GLY 554 Ca -0.33 -1.48 -0.00 0.00 0.00 0.00 0.00 46.02 44.20 3dpq n GLY 554 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3dpq n ASP 555 N 0.45 2.35 -0.79 1.61 10.43 -1.26 -2.15 116.55 127.19 3dpq n ASP 555 Ca 0.00 -2.02 0.06 0.00 2.57 0.00 0.00 54.79 55.40 3dpq n ASP 555 Cb 0.00 -0.50 0.22 0.00 1.84 0.00 0.00 41.12 42.68 3dpq n ASP 555 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 3dpq n LYS 556 N 0.32 2.37 -3.95 -1.24 4.76 -1.23 -4.86 118.16 114.33 3dpq n LYS 556 Ca 0.01 -2.88 -0.31 0.00 -2.87 0.00 0.00 58.31 52.27 3dpq n LYS 556 Cb 0.43 -1.77 -0.15 0.00 -1.84 0.00 0.00 35.03 31.70 3dpq n LYS 556 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 3dpq s LEU 557 N -2.94 4.20 -0.03 -0.35 2.96 -0.91 -4.98 118.68 116.64 3dpq s LEU 557 Ca 0.41 -2.29 -0.33 0.00 -0.22 0.00 0.00 54.13 51.70 3dpq s LEU 557 Cb 0.34 -1.49 -0.11 0.00 0.50 0.00 0.00 46.19 45.43 3dpq s LEU 557 CO 0.06 -0.35 1.88 -2.65 -1.32 0.00 0.00 176.35 173.97 3dpq n PRO 558 N 4.06 2.39 0.00 0.98 -0.02 -1.26 -4.72 135.00 136.44 3dpq n PRO 558 Ca 0.04 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.39 3dpq n PRO 558 Cb 0.40 -2.75 0.00 0.00 -0.02 0.00 0.00 33.50 31.13 3dpq n PRO 558 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3dpq n ALA 559 N 6.57 1.40 -0.05 3.55 0.00 -1.26 0.13 120.51 130.85 3dpq n ALA 559 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.65 3dpq n ALA 559 Cb 0.33 -0.94 -0.15 0.00 0.00 0.00 0.00 19.45 18.68 3dpq n ALA 559 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3dpq n ASP 560 N -0.45 0.33 -0.07 0.00 10.43 -1.26 -3.88 116.55 121.65 3dpq n ASP 560 Ca 0.00 0.00 -0.04 0.00 2.57 0.00 0.00 54.79 57.32 3dpq n ASP 560 Cb 0.00 1.44 -0.14 0.00 1.84 0.00 0.00 41.12 44.25 3dpq n ASP 560 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 3dpq n ASP 561 N -2.46 0.62 0.02 -2.24 8.00 0.35 -3.38 116.55 117.46 3dpq n ASP 561 Ca -0.18 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.31 3dpq n ASP 561 Cb 0.83 1.15 -0.00 0.00 -0.02 0.00 0.00 41.12 43.08 3dpq n ASP 561 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 3dpq h LYS 562 N 0.00 -0.05 -0.05 -1.24 3.11 -1.71 -1.59 116.57 115.03 3dpq h LYS 562 Ca -0.37 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.48 3dpq h LYS 562 Cb 1.81 0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 33.05 3dpq h LYS 562 CO 0.02 -0.03 -0.03 2.41 -2.81 0.00 0.00 179.45 179.01 3dpq n THR 563 N -2.35 -0.04 0.04 1.00 -1.04 -1.25 -0.13 114.28 110.51 3dpq n THR 563 Ca -0.01 0.21 -0.15 0.00 -2.04 0.00 0.00 64.05 62.07 3dpq n THR 563 Cb 0.02 -0.27 -0.10 0.00 -1.82 0.00 0.00 70.33 68.16 3dpq n THR 563 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3dpq h ALA 564 N -0.03 -0.92 -0.27 2.41 0.00 -1.52 -1.41 119.26 117.51 3dpq h ALA 564 Ca 0.01 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 3dpq h ALA 564 Cb 0.02 0.96 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 3dpq h ALA 564 CO -0.05 -1.09 -0.05 0.82 0.00 0.00 0.00 179.25 178.89 3dpq h ILE 565 N -0.63 1.19 -0.05 0.00 2.04 0.38 -2.61 117.51 117.82 3dpq h ILE 565 Ca 0.02 -0.77 0.03 0.00 1.00 0.00 0.00 64.86 65.14 3dpq h ILE 565 Cb 0.69 1.04 -0.04 0.00 -0.74 0.00 0.00 36.82 37.76 3dpq h ILE 565 CO -0.37 0.26 -0.20 -0.33 0.00 0.00 0.00 178.15 177.51 3dpq h GLU 566 N 0.40 -0.28 -0.39 2.37 4.39 0.56 0.52 114.58 122.15 3dpq h GLU 566 Ca 0.09 0.02 0.03 0.00 0.34 0.00 0.00 59.36 59.84 3dpq h GLU 566 Cb 0.34 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.03 3dpq h GLU 566 CO 0.01 -0.19 0.26 0.66 -1.16 0.00 0.00 179.01 178.60 3dpq h SER 567 N -0.29 0.34 0.05 1.42 4.64 -1.07 -2.51 113.55 116.13 3dpq h SER 567 Ca 0.07 -0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.16 3dpq h SER 567 Cb 0.39 -0.08 0.01 0.00 -0.31 0.00 0.00 62.40 62.41 3dpq h SER 567 CO -0.22 0.23 -0.88 0.00 -0.87 0.00 0.00 176.83 175.09 3dpq h ALA 568 N 1.78 0.31 -0.16 5.18 0.00 -0.77 -2.07 119.26 123.54 3dpq h ALA 568 Ca 0.16 -0.65 -0.07 0.00 0.00 0.00 0.00 54.91 54.35 3dpq h ALA 568 Cb 0.15 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 3dpq h ALA 568 CO -0.04 0.72 -0.16 -0.07 0.00 0.00 0.00 179.25 179.70 3dpq h LEU 569 N 0.40 0.42 -1.53 0.00 4.07 -1.20 -1.76 115.31 115.71 3dpq h LEU 569 Ca -0.08 -0.48 0.34 0.00 0.08 0.00 0.00 57.88 57.74 3dpq h LEU 569 Cb 1.51 -0.12 -0.09 0.00 1.08 0.00 0.00 40.66 43.04 3dpq h LEU 569 CO 0.17 0.81 0.79 0.74 -1.08 0.00 0.00 178.44 179.87 3dpq h THR 570 N 0.03 0.36 0.16 0.22 2.02 -1.22 0.16 112.91 114.63 3dpq h THR 570 Ca 0.02 -0.07 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 3dpq h THR 570 Cb 0.70 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 3dpq h THR 570 CO 0.04 0.04 -0.08 0.00 0.37 0.00 0.00 175.52 175.89 3dpq h ALA 571 N 1.55 -0.49 -1.86 6.16 0.00 -0.99 -2.95 119.26 120.68 3dpq h ALA 571 Ca 0.67 -0.05 0.54 0.00 0.00 0.00 0.00 54.91 56.07 3dpq h ALA 571 Cb 2.05 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 19.85 3dpq h ALA 571 CO -0.26 -0.47 1.39 1.25 0.00 0.00 0.00 179.25 181.16 3dpq h LEU 572 N -0.42 0.00 0.01 0.00 5.85 0.07 0.42 115.31 121.24 3dpq h LEU 572 Ca -0.02 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.65 3dpq h LEU 572 Cb 0.16 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.20 3dpq h LEU 572 CO 0.04 0.00 -0.19 -0.08 -0.34 0.00 0.00 178.44 177.87 3dpq h GLU 573 N 0.00 0.11 0.00 1.25 4.81 -0.81 -1.57 114.58 118.37 3dpq h GLU 573 Ca 0.88 -0.13 -0.01 0.00 -0.13 0.00 0.00 59.36 59.97 3dpq h GLU 573 Cb 3.66 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 33.08 3dpq h GLU 573 CO -0.01 0.93 -0.06 1.79 -0.73 0.00 0.00 179.01 180.94 3dpq h THR 574 N -0.66 0.43 0.02 0.32 1.35 -0.04 -2.98 112.91 111.35 3dpq h THR 574 Ca -0.03 -0.29 -0.02 0.00 -0.55 0.00 0.00 66.41 65.52 3dpq h THR 574 Cb 1.01 1.20 0.00 0.00 -1.73 0.00 0.00 68.15 68.63 3dpq h THR 574 CO 0.04 0.06 -0.11 0.00 -0.25 0.00 0.00 175.52 175.26 3dpq h ALA 575 N 1.94 -0.01 0.00 6.62 0.00 -1.10 -3.08 119.26 123.63 3dpq h ALA 575 Ca -0.00 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3dpq h ALA 575 Cb 0.19 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3dpq h ALA 575 CO 0.01 0.04 0.05 1.28 0.00 0.00 0.00 179.25 180.63 3dpq n LEU 576 N -4.55 0.25 0.06 0.00 4.77 -0.61 -1.26 117.00 115.66 3dpq n LEU 576 Ca -0.10 0.59 0.11 0.00 -0.03 0.00 0.00 56.01 56.58 3dpq n LEU 576 Cb 0.52 -0.61 -0.07 0.00 -2.33 0.00 0.00 43.42 40.93 3dpq n LEU 576 CO 0.36 -0.67 -0.29 1.17 -1.33 0.00 0.00 177.39 176.63 3dpq n LYS 577 N -1.83 0.62 0.00 3.23 4.81 -1.16 -4.79 118.16 119.04 3dpq n LYS 577 Ca -0.01 -0.01 0.00 0.00 -0.87 0.00 0.00 58.31 57.43 3dpq n LYS 577 Cb 0.06 -1.70 0.00 0.00 0.02 0.00 0.00 35.03 33.41 3dpq n LYS 577 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3dpq n GLY 578 N 1.22 0.59 0.11 3.14 0.00 -0.39 -5.03 105.19 104.83 3dpq n GLY 578 Ca -0.02 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.42 3dpq n GLY 578 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dpq n GLU 579 N 0.00 0.10 -2.25 1.61 1.02 -1.26 -4.97 120.64 114.89 3dpq n GLU 579 Ca 0.00 -0.66 -0.43 0.00 -0.02 0.00 0.00 57.16 56.05 3dpq n GLU 579 Cb 0.00 -0.52 0.00 0.00 -0.02 0.00 0.00 31.44 30.90 3dpq n GLU 579 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3dpq n ASP 580 N -0.03 4.54 -0.03 1.62 2.03 -1.26 -4.88 116.55 118.55 3dpq n ASP 580 Ca 0.00 -2.91 -0.01 0.00 0.52 0.00 0.00 54.79 52.40 3dpq n ASP 580 Cb 0.54 -1.68 -0.01 0.00 -0.72 0.00 0.00 41.12 39.25 3dpq n ASP 580 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3dpq n LYS 581 N 6.90 -0.03 0.19 -0.67 5.02 -1.26 0.16 118.16 128.48 3dpq n LYS 581 Ca 0.49 0.10 0.07 0.00 -2.02 0.00 0.00 58.31 56.95 3dpq n LYS 581 Cb 0.42 -0.15 0.59 0.00 -0.02 0.00 0.00 35.03 35.87 3dpq n LYS 581 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3dpq h ALA 582 N 0.02 1.93 0.00 7.82 0.00 -1.99 0.20 119.26 127.25 3dpq h ALA 582 Ca 0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3dpq h ALA 582 Cb 0.03 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3dpq h ALA 582 CO -0.06 0.07 -0.08 0.00 0.00 0.00 0.00 179.25 179.18 3dpq h ALA 583 N 1.94 0.97 0.10 0.00 0.00 -0.67 -2.98 119.26 118.61 3dpq h ALA 583 Ca 0.04 -0.07 -0.32 0.00 0.00 0.00 0.00 54.91 54.56 3dpq h ALA 583 Cb -0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3dpq h ALA 583 CO -0.01 0.10 -1.68 0.82 0.00 0.00 0.00 179.25 178.48 3dpq h ILE 584 N 0.00 0.96 -0.13 0.00 2.04 -0.58 -3.14 117.51 116.67 3dpq h ILE 584 Ca -0.00 -2.66 -0.05 0.00 1.00 0.00 0.00 64.86 63.15 3dpq h ILE 584 Cb 0.82 2.63 -0.01 0.00 -0.74 0.00 0.00 36.82 39.53 3dpq h ILE 584 CO 0.01 0.78 -0.13 -0.33 0.00 0.00 0.00 178.15 178.48 3dpq h GLU 585 N 0.06 0.20 0.11 2.37 5.08 -1.32 -2.68 114.58 118.39 3dpq h GLU 585 Ca -0.30 -0.04 -0.33 0.00 -1.00 0.00 0.00 59.36 57.69 3dpq h GLU 585 Cb 2.02 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 31.22 3dpq h GLU 585 CO 0.13 0.34 -1.76 0.00 -1.00 0.00 0.00 179.01 176.71 3dpq h ALA 586 N 1.68 0.42 0.00 3.43 0.00 -1.66 -0.68 119.26 122.46 3dpq h ALA 586 Ca 0.04 -1.29 0.00 0.00 0.00 0.00 0.00 54.91 53.66 3dpq h ALA 586 Cb 0.35 0.50 0.00 0.00 0.00 0.00 0.00 17.79 18.64 3dpq h ALA 586 CO 0.02 1.28 0.00 0.87 0.00 0.00 0.00 179.25 181.42 3dpq h LYS 587 N 0.06 0.00 0.10 0.00 1.79 -1.48 4.06 116.57 121.10 3dpq h LYS 587 Ca -0.33 0.00 -0.32 0.00 -2.18 0.00 0.00 60.65 57.82 3dpq h LYS 587 Cb 2.03 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 32.66 3dpq h LYS 587 CO 0.12 0.00 -1.72 0.52 -1.08 0.00 0.00 179.45 177.29 3dpq h MET 588 N 0.00 0.20 0.00 3.15 2.86 -1.28 -1.40 114.93 118.46 3dpq h MET 588 Ca 0.00 -0.35 -0.00 0.00 -2.06 0.00 0.00 59.70 57.29 3dpq h MET 588 Cb 0.08 0.13 -0.00 0.00 0.06 0.00 0.00 31.60 31.87 3dpq h MET 588 CO 0.00 1.01 -0.02 0.37 1.06 0.00 0.00 176.91 179.33 3dpq h GLN 589 N 0.06 0.00 0.00 1.72 5.75 0.15 0.31 115.11 123.10 3dpq h GLN 589 Ca -0.31 0.00 -0.06 0.00 -0.15 0.00 0.00 58.65 58.13 3dpq h GLN 589 Cb 2.02 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 30.56 3dpq h GLN 589 CO 0.12 0.02 -0.35 1.49 -2.65 0.00 0.00 178.83 177.46 3dpq h GLU 590 N 0.00 0.00 0.04 1.69 4.81 0.76 -3.19 114.58 118.69 3dpq h GLU 590 Ca -0.00 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.24 3dpq h GLU 590 Cb 0.42 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 3dpq h GLU 590 CO 0.00 0.83 -0.13 1.25 -0.73 0.00 0.00 179.01 180.23 3dpq h LEU 591 N -1.00 -0.36 -0.43 1.64 5.85 -1.19 -2.87 115.31 116.94 3dpq h LEU 591 Ca -0.09 0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.72 3dpq h LEU 591 Cb 0.93 0.14 -0.07 0.00 0.37 0.00 0.00 40.66 42.04 3dpq h LEU 591 CO -0.06 -0.19 -0.40 0.00 -0.34 0.00 0.00 178.44 177.46 3dpq h ALA 592 N 0.68 -0.55 -0.17 1.25 0.00 -1.07 -0.22 119.26 119.18 3dpq h ALA 592 Ca 0.03 0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.98 3dpq h ALA 592 Cb 0.27 1.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.14 3dpq h ALA 592 CO -0.10 -0.78 -0.10 1.04 0.00 0.00 0.00 179.25 179.31 3dpq n GLN 593 N -4.58 -0.08 0.06 0.00 6.02 -1.10 0.85 117.38 118.55 3dpq n GLN 593 Ca -0.01 0.74 0.08 0.00 -0.01 0.00 0.00 57.00 57.80 3dpq n GLN 593 Cb 0.22 -1.10 0.36 0.00 1.02 0.00 0.00 30.24 30.74 3dpq n GLN 593 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 3dpq n VAL 594 N -3.23 1.06 1.02 5.09 0.24 -0.40 -2.62 118.33 119.49 3dpq n VAL 594 Ca 0.00 0.31 0.14 0.00 -2.04 0.00 0.00 64.34 62.75 3dpq n VAL 594 Cb 0.05 -1.18 0.53 0.00 -1.47 0.00 0.00 33.84 31.77 3dpq n VAL 594 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 3dpq n SER 595 N -1.82 0.14 0.00 -1.34 7.64 0.25 -4.09 113.62 114.39 3dpq n SER 595 Ca 0.02 0.26 0.02 0.00 1.01 0.00 0.00 58.87 60.18 3dpq n SER 595 Cb 0.16 -0.29 0.08 0.00 -1.01 0.00 0.00 64.21 63.15 3dpq n SER 595 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 3dpq n GLN 596 N -1.48 0.02 -0.40 1.43 -0.06 -1.08 0.18 117.38 115.99 3dpq n GLN 596 Ca 0.07 0.37 0.10 0.00 -2.00 0.00 0.00 57.00 55.54 3dpq n GLN 596 Cb 0.33 -1.50 0.29 0.00 -4.06 0.00 0.00 30.24 25.31 3dpq n GLN 596 CO 0.00 0.00 0.00 1.17 -0.20 0.00 0.00 177.06 178.03 3dpq n LYS 597 N -1.42 2.80 0.00 3.69 3.00 -1.26 -4.40 118.16 120.58 3dpq n LYS 597 Ca 0.01 -2.37 0.00 0.00 -0.00 0.00 0.00 58.31 55.95 3dpq n LYS 597 Cb 0.03 -1.61 0.00 0.00 0.00 0.00 0.00 35.03 33.45 3dpq n LYS 597 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 3dpq n LEU 598 N 1.23 0.00 -0.11 3.14 7.94 0.47 -4.59 117.00 125.08 3dpq n LEU 598 Ca 0.22 0.00 -0.01 0.00 -1.11 0.00 0.00 56.01 55.11 3dpq n LEU 598 Cb 0.63 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.58 3dpq n LEU 598 CO 0.17 -0.31 0.16 0.23 -1.11 0.00 0.00 177.39 176.53 3dpq n MET 599 N -1.92 -0.08 0.00 1.96 2.81 -1.16 -2.19 117.12 116.55 3dpq n MET 599 Ca 0.00 0.43 0.00 0.00 -1.81 0.00 0.00 57.70 56.32 3dpq n MET 599 Cb 0.00 -0.64 0.00 0.00 -0.71 0.00 0.00 33.22 31.87 3dpq n MET 599 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3dpq n GLU 600 N -4.40 0.00 0.00 0.03 4.71 -1.26 -2.87 120.64 116.85 3dpq n GLU 600 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.17 3dpq n GLU 600 Cb 0.10 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.53 3dpq n GLU 600 CO 0.00 0.00 0.00 -0.89 0.09 0.00 0.00 177.13 176.33 3dpq n ILE 601 N 0.00 0.00 0.70 -3.67 2.08 -0.93 -5.16 119.36 112.38 3dpq n ILE 601 Ca 0.00 0.00 0.08 0.00 0.56 0.00 0.00 62.75 63.39 3dpq n ILE 601 Cb 0.00 0.00 0.07 0.00 -0.75 0.00 0.00 39.64 38.96 3dpq n ILE 601 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11