#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k2p s GLN 428 N 0.00 0.73 -0.11 -3.48 0.00 -1.26 -5.04 119.66 110.50 3k2p s GLN 428 Ca 0.00 -0.80 -0.04 0.00 -0.00 0.00 0.00 55.36 54.52 3k2p s GLN 428 Cb 0.00 -0.66 -0.04 0.00 0.00 0.00 0.00 33.01 32.31 3k2p s GLN 428 CO 0.00 0.15 0.03 -0.51 0.00 0.00 0.00 175.29 174.96 3k2p s LEU 429 N -1.45 3.75 0.47 2.60 2.01 -1.26 -4.50 118.68 120.30 3k2p s LEU 429 Ca -0.03 0.19 -0.24 0.00 0.01 0.00 0.00 54.13 54.05 3k2p s LEU 429 Cb -0.09 -1.88 -0.08 0.00 0.01 0.00 0.00 46.19 44.15 3k2p s LEU 429 CO 0.01 0.35 1.38 -0.62 1.01 0.00 0.00 176.35 178.49 3k2p n GLU 430 N 2.32 2.04 0.18 1.70 -0.58 0.48 -4.93 120.64 121.86 3k2p n GLU 430 Ca -0.19 0.73 0.10 0.00 -0.42 0.00 0.00 57.16 57.39 3k2p n GLU 430 Cb 0.54 -2.57 0.11 0.00 -0.57 0.00 0.00 31.44 28.95 3k2p n GLU 430 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 3k2p h LYS 431 N 2.02 0.00 -4.27 3.49 1.79 -1.99 -3.43 116.57 114.19 3k2p h LYS 431 Ca -0.50 0.00 -0.14 0.00 -2.18 0.00 0.00 60.65 57.83 3k2p h LYS 431 Cb 1.28 0.00 -0.15 0.00 -1.58 0.00 0.00 32.23 31.78 3k2p h LYS 431 CO 0.60 0.08 -0.64 -1.21 -1.08 0.00 0.00 179.45 177.20 3k2p s GLU 432 N -3.19 0.74 0.35 3.15 0.41 -1.26 -5.10 118.70 113.80 3k2p s GLU 432 Ca 0.05 -1.28 -0.27 0.00 -0.41 0.00 0.00 54.97 53.06 3k2p s GLU 432 Cb 0.06 0.23 -0.12 0.00 -1.78 0.00 0.00 34.13 32.52 3k2p s GLU 432 CO 0.71 -0.18 1.19 -2.30 -0.49 0.00 0.00 175.26 174.19 3k2p n PRO 433 N 0.02 1.85 -2.55 0.39 -0.02 -1.26 -4.88 135.00 128.56 3k2p n PRO 433 Ca -0.11 0.65 -0.42 0.00 -2.02 0.00 0.00 63.50 61.61 3k2p n PRO 433 Cb 0.62 -2.19 -0.03 0.00 -0.02 0.00 0.00 33.50 31.88 3k2p n PRO 433 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3k2p s ILE 434 N -1.12 3.84 0.17 4.25 1.01 -1.26 -5.00 121.20 123.10 3k2p s ILE 434 Ca 0.57 0.63 -0.32 0.00 0.00 0.00 0.00 60.65 61.54 3k2p s ILE 434 Cb -0.59 -4.81 -0.11 0.00 0.01 0.00 0.00 42.46 36.96 3k2p s ILE 434 CO 0.61 -1.60 1.77 -0.69 0.00 0.00 0.00 174.94 175.02 3k2p s VAL 435 N 5.46 2.24 0.00 2.92 1.01 -1.26 -1.79 120.40 128.98 3k2p s VAL 435 Ca 0.40 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.41 3k2p s VAL 435 Cb -0.08 -3.02 0.00 0.00 0.00 0.00 0.00 36.38 33.28 3k2p s VAL 435 CO 0.20 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.91 3k2p n GLY 436 N 4.08 3.10 3.75 4.51 0.00 -1.26 -5.03 105.19 114.34 3k2p n GLY 436 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 3k2p n GLY 436 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k2p s ALA 437 N -2.34 3.35 0.27 4.61 0.00 -0.74 -4.98 121.76 121.92 3k2p s ALA 437 Ca 0.00 0.67 -0.30 0.00 0.00 0.00 0.00 51.96 52.33 3k2p s ALA 437 Cb 0.00 -3.24 -0.13 0.00 0.00 0.00 0.00 23.12 19.76 3k2p s ALA 437 CO 0.00 0.12 1.48 -1.91 0.00 0.00 0.00 175.76 175.45 3k2p n GLU 438 N 1.54 2.34 -3.91 0.00 2.13 -1.26 -4.68 120.64 116.79 3k2p n GLU 438 Ca -0.01 0.83 -0.35 0.00 0.66 0.00 0.00 57.16 58.28 3k2p n GLU 438 Cb 0.47 -2.54 -0.14 0.00 0.27 0.00 0.00 31.44 29.50 3k2p n GLU 438 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 3k2p s THR 439 N -0.10 3.54 -0.30 6.31 2.01 -1.26 -2.00 115.64 123.86 3k2p s THR 439 Ca 0.66 -0.44 -0.13 0.00 0.31 0.00 0.00 61.69 62.09 3k2p s THR 439 Cb -0.58 -2.62 -0.04 0.00 0.01 0.00 0.00 72.50 69.28 3k2p s THR 439 CO 0.50 0.41 0.26 -0.36 -0.69 0.00 0.00 174.62 174.74 3k2p s PHE 440 N 1.44 3.23 -0.23 4.92 0.40 0.13 -1.93 117.98 125.94 3k2p s PHE 440 Ca 0.05 0.10 -0.19 0.00 -0.60 0.00 0.00 56.93 56.29 3k2p s PHE 440 Cb -0.14 -2.47 -0.03 0.00 0.51 0.00 0.00 43.02 40.89 3k2p s PHE 440 CO -0.02 -0.24 0.55 0.71 0.70 0.00 0.00 175.22 176.91 3k2p s TYR 441 N 1.85 3.32 0.22 0.36 1.51 0.90 -0.28 117.35 125.23 3k2p s TYR 441 Ca 0.09 0.75 0.08 0.00 -1.01 0.00 0.00 57.07 56.98 3k2p s TYR 441 Cb -0.16 -2.73 -0.04 0.00 -0.11 0.00 0.00 41.96 38.92 3k2p s TYR 441 CO 0.11 -0.20 0.04 0.14 -1.11 0.00 0.00 175.55 174.53 3k2p s VAL 442 N 2.03 3.82 -0.09 0.71 -7.23 -0.51 -1.43 120.40 117.69 3k2p s VAL 442 Ca 0.24 -1.56 -0.30 0.00 -1.81 0.00 0.00 61.98 58.55 3k2p s VAL 442 Cb -0.16 -2.99 0.12 0.00 0.56 0.00 0.00 36.38 33.92 3k2p s VAL 442 CO 0.09 -0.24 0.99 -0.62 -0.31 0.00 0.00 175.10 175.01 3k2p s ASP 443 N -3.36 -0.32 0.15 4.85 2.15 -1.06 -4.45 116.67 114.63 3k2p s ASP 443 Ca 0.30 0.12 0.03 0.00 0.43 0.00 0.00 52.55 53.43 3k2p s ASP 443 Cb -0.08 0.31 -0.04 0.00 -0.30 0.00 0.00 42.92 42.80 3k2p s ASP 443 CO 0.20 -0.45 -0.07 -0.83 -0.17 0.00 0.00 175.17 173.85 3k2p s GLY 444 N -1.99 1.05 -0.11 2.66 0.00 -1.26 -1.08 107.32 106.60 3k2p s GLY 444 Ca 0.04 -1.49 -0.09 0.00 0.00 0.00 0.00 44.72 43.18 3k2p s GLY 444 CO -0.05 -1.56 0.28 0.00 0.00 0.00 0.00 173.10 171.78 3k2p s ALA 445 N -3.45 -0.69 0.05 3.20 0.00 -0.44 -4.82 121.76 115.60 3k2p s ALA 445 Ca 0.17 0.90 0.03 0.00 0.00 0.00 0.00 51.96 53.07 3k2p s ALA 445 Cb 0.04 -0.54 -0.02 0.00 0.00 0.00 0.00 23.12 22.59 3k2p s ALA 445 CO 0.00 -0.16 -0.10 0.00 0.00 0.00 0.00 175.76 175.50 3k2p s ALA 446 N 0.52 0.79 -0.24 0.00 0.00 -1.26 -1.00 121.76 120.56 3k2p s ALA 446 Ca -0.03 -0.83 -0.12 0.00 0.00 0.00 0.00 51.96 50.98 3k2p s ALA 446 Cb -0.04 -0.02 -0.05 0.00 0.00 0.00 0.00 23.12 23.01 3k2p s ALA 446 CO -0.03 0.05 0.23 1.21 0.00 0.00 0.00 175.76 177.23 3k2p s ASN 447 N -1.56 6.18 0.03 0.00 3.84 -0.04 -4.81 114.94 118.57 3k2p s ASN 447 Ca -0.07 0.19 -0.27 0.00 0.21 0.00 0.00 52.86 52.92 3k2p s ASN 447 Cb -0.10 -2.14 -0.17 0.00 -0.55 0.00 0.00 41.25 38.30 3k2p s ASN 447 CO 0.01 -0.00 1.33 -0.09 -2.79 0.00 0.00 177.10 175.56 3k2p h ARG 448 N 7.67 -0.61 -0.44 0.43 2.43 -1.93 0.97 114.38 122.91 3k2p h ARG 448 Ca -0.37 0.04 0.09 0.00 -0.81 0.00 0.00 59.98 58.93 3k2p h ARG 448 Cb 1.17 0.14 -0.09 0.00 -0.42 0.00 0.00 29.97 30.77 3k2p h ARG 448 CO 0.65 -0.31 -0.22 0.93 -1.51 0.00 0.00 179.97 179.51 3k2p h GLU 449 N -0.86 -0.13 0.00 0.20 4.39 -1.99 -3.10 114.58 113.09 3k2p h GLU 449 Ca -0.06 0.01 -0.07 0.00 0.34 0.00 0.00 59.36 59.57 3k2p h GLU 449 Cb 0.58 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.24 3k2p h GLU 449 CO 0.11 -0.09 -1.71 0.25 -1.16 0.00 0.00 179.01 176.41 3k2p n THR 450 N -5.39 0.50 -1.11 1.13 -2.24 -1.22 -4.98 114.28 100.97 3k2p n THR 450 Ca 0.03 -0.58 -0.04 0.00 -2.27 0.00 0.00 64.05 61.19 3k2p n THR 450 Cb 0.30 -0.25 -0.02 0.00 -2.10 0.00 0.00 70.33 68.27 3k2p n THR 450 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3k2p n LYS 451 N -2.52 -1.26 -3.17 -0.78 4.76 0.34 -4.79 118.16 110.74 3k2p n LYS 451 Ca -0.07 0.51 -0.34 0.00 -2.87 0.00 0.00 58.31 55.53 3k2p n LYS 451 Cb 0.68 -4.55 -0.06 0.00 -1.84 0.00 0.00 35.03 29.26 3k2p n LYS 451 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3k2p s LEU 452 N -0.85 4.22 0.34 -0.35 1.43 -1.25 -1.23 118.68 121.00 3k2p s LEU 452 Ca 0.00 1.29 -0.06 0.00 -1.03 0.00 0.00 54.13 54.33 3k2p s LEU 452 Cb 0.00 -3.74 0.01 0.00 0.03 0.00 0.00 46.19 42.49 3k2p s LEU 452 CO 0.00 -0.06 0.52 -0.83 0.23 0.00 0.00 176.35 176.22 3k2p s GLY 453 N -1.95 1.18 -0.01 -3.19 0.00 -0.06 -0.86 107.32 102.44 3k2p s GLY 453 Ca 0.47 -1.31 0.00 0.00 0.00 0.00 0.00 44.72 43.88 3k2p s GLY 453 CO 0.19 -0.84 0.01 0.54 0.00 0.00 0.00 173.10 173.00 3k2p s LYS 454 N -3.06 0.03 -0.01 2.90 1.02 -0.17 0.40 119.74 120.84 3k2p s LYS 454 Ca 0.27 0.08 0.05 0.00 0.02 0.00 0.00 55.97 56.39 3k2p s LYS 454 Cb -0.01 -0.16 -0.03 0.00 -0.52 0.00 0.00 37.83 37.11 3k2p s LYS 454 CO 0.17 -0.08 -0.16 0.00 -0.92 0.00 0.00 175.35 174.37 3k2p s ALA 455 N 0.54 2.64 0.00 5.17 0.00 -0.83 -1.33 121.76 127.95 3k2p s ALA 455 Ca -0.05 -1.07 0.00 0.00 0.00 0.00 0.00 51.96 50.85 3k2p s ALA 455 Cb -0.07 -0.88 0.00 0.00 0.00 0.00 0.00 23.12 22.18 3k2p s ALA 455 CO -0.01 0.57 0.00 0.41 0.00 0.00 0.00 175.76 176.72 3k2p n GLY 456 N 1.98 2.03 3.56 0.00 0.00 -0.24 -1.28 105.19 111.23 3k2p n GLY 456 Ca -0.17 -0.96 -0.09 0.00 0.00 0.00 0.00 46.02 44.81 3k2p n GLY 456 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3k2p s TYR 457 N -7.66 0.23 -0.03 1.61 -0.85 -0.19 -2.58 117.35 107.89 3k2p s TYR 457 Ca 0.00 -0.59 -0.01 0.00 -0.52 0.00 0.00 57.07 55.95 3k2p s TYR 457 Cb 0.00 0.23 0.03 0.00 0.38 0.00 0.00 41.96 42.60 3k2p s TYR 457 CO 0.00 -0.96 0.06 0.08 -1.52 0.00 0.00 175.55 173.21 3k2p s VAL 458 N -3.97 -0.04 0.30 -3.49 1.01 -0.51 -1.36 120.40 112.33 3k2p s VAL 458 Ca 0.18 0.16 0.08 0.00 0.00 0.00 0.00 61.98 62.41 3k2p s VAL 458 Cb -0.01 -0.11 -0.04 0.00 0.00 0.00 0.00 36.38 36.22 3k2p s VAL 458 CO 0.05 0.07 0.13 0.42 0.00 0.00 0.00 175.10 175.76 3k2p s THR 459 N 0.87 3.47 -0.49 3.92 -4.23 0.15 -0.07 115.64 119.26 3k2p s THR 459 Ca -0.07 -1.67 0.22 0.00 -1.18 0.00 0.00 61.69 58.99 3k2p s THR 459 Cb -0.10 -3.04 0.22 0.00 1.34 0.00 0.00 72.50 70.92 3k2p s THR 459 CO -0.03 -0.27 1.66 -0.46 -0.54 0.00 0.00 174.62 174.97 3k2p n ASN 460 N -1.10 0.56 -1.01 3.99 0.23 -0.82 -2.19 115.26 114.92 3k2p n ASN 460 Ca -0.05 0.66 0.07 0.00 -0.53 0.00 0.00 54.58 54.73 3k2p n ASN 460 Cb 0.60 -0.77 0.22 0.00 -2.08 0.00 0.00 39.78 37.74 3k2p n ASN 460 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 3k2p n LYS 461 N -2.15 2.49 -0.90 -3.83 5.02 -1.26 -4.94 118.16 112.60 3k2p n LYS 461 Ca 0.01 -1.77 0.00 0.00 -2.02 0.00 0.00 58.31 54.54 3k2p n LYS 461 Cb 0.18 -1.55 0.00 0.00 -0.02 0.00 0.00 35.03 33.64 3k2p n LYS 461 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3k2p n GLY 462 N 0.99 0.64 3.70 0.72 0.00 -0.93 -5.04 105.19 105.27 3k2p n GLY 462 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 3k2p n GLY 462 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3k2p s ARG 463 N -0.33 4.22 0.06 1.61 3.52 -1.26 -4.87 118.95 121.90 3k2p s ARG 463 Ca 0.00 2.27 0.04 0.00 -0.13 0.00 0.00 55.73 57.91 3k2p s ARG 463 Cb 0.00 -3.45 -0.03 0.00 -1.56 0.00 0.00 34.95 29.91 3k2p s ARG 463 CO 0.00 -0.66 -0.11 -0.65 -0.81 0.00 0.00 175.30 173.08 3k2p s GLN 464 N 2.10 0.70 -0.25 5.12 -0.21 -1.26 0.29 119.66 126.15 3k2p s GLN 464 Ca 0.71 -0.91 -0.14 0.00 0.02 0.00 0.00 55.36 55.05 3k2p s GLN 464 Cb -0.39 -0.56 0.08 0.00 1.00 0.00 0.00 33.01 33.14 3k2p s GLN 464 CO 0.31 0.11 0.61 0.21 -2.12 0.00 0.00 175.29 174.42 3k2p s LYS 465 N -1.84 0.61 -0.05 2.91 2.20 -0.46 -4.97 119.74 118.14 3k2p s LYS 465 Ca -0.04 1.14 0.04 0.00 -0.36 0.00 0.00 55.97 56.74 3k2p s LYS 465 Cb -0.09 0.16 0.00 0.00 -1.51 0.00 0.00 37.83 36.39 3k2p s LYS 465 CO 0.01 -0.16 -0.16 0.08 -0.36 0.00 0.00 175.35 174.76 3k2p s VAL 466 N 1.70 1.36 -0.08 4.02 1.01 -1.26 -1.02 120.40 126.12 3k2p s VAL 466 Ca -0.09 -0.66 0.02 0.00 0.00 0.00 0.00 61.98 61.25 3k2p s VAL 466 Cb -0.06 -1.19 0.01 0.00 0.00 0.00 0.00 36.38 35.14 3k2p s VAL 466 CO -0.18 0.40 -0.15 -0.69 0.00 0.00 0.00 175.10 174.48 3k2p s VAL 467 N 0.20 1.37 0.46 2.92 1.01 -0.41 -5.00 120.40 120.94 3k2p s VAL 467 Ca -0.07 -0.60 -0.17 0.00 0.00 0.00 0.00 61.98 61.14 3k2p s VAL 467 Cb -0.13 -1.24 -0.09 0.00 0.00 0.00 0.00 36.38 34.93 3k2p s VAL 467 CO 0.03 0.41 0.92 -2.16 0.00 0.00 0.00 175.10 174.30 3k2p s PRO 468 N 0.73 4.01 0.06 2.72 0.04 -1.26 -1.96 135.00 139.34 3k2p s PRO 468 Ca -0.13 0.91 0.03 0.00 0.04 0.00 0.00 61.00 61.86 3k2p s PRO 468 Cb -0.16 -2.21 -0.03 0.00 0.04 0.00 0.00 34.50 32.15 3k2p s PRO 468 CO 0.03 -0.13 -0.10 -0.51 0.04 0.00 0.00 177.00 176.32 3k2p s LEU 469 N -3.68 2.28 -0.07 -3.56 1.43 0.16 -4.92 118.68 110.33 3k2p s LEU 469 Ca 0.58 -0.60 0.04 0.00 -1.03 0.00 0.00 54.13 53.12 3k2p s LEU 469 Cb -0.10 -0.31 -0.00 0.00 0.03 0.00 0.00 46.19 45.82 3k2p s LEU 469 CO 0.25 -0.16 -0.20 -0.89 0.23 0.00 0.00 176.35 175.57 3k2p s THR 470 N -1.45 1.68 -0.55 5.49 2.01 -1.26 -0.88 115.64 120.67 3k2p s THR 470 Ca -0.05 -0.83 -0.03 0.00 0.31 0.00 0.00 61.69 61.09 3k2p s THR 470 Cb -0.09 -1.45 -0.03 0.00 0.01 0.00 0.00 72.50 70.93 3k2p s THR 470 CO 0.01 0.48 0.49 -3.20 -0.69 0.00 0.00 174.62 171.70 3k2p n ASN 471 N 3.34 -4.65 -3.94 3.53 4.05 -0.36 -4.99 115.26 112.24 3k2p n ASN 471 Ca -0.19 -0.34 -0.12 0.00 0.45 0.00 0.00 54.58 54.38 3k2p n ASN 471 Cb 0.53 -3.14 -0.07 0.00 1.23 0.00 0.00 39.78 38.33 3k2p n ASN 471 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 177.26 174.49 3k2p s THR 472 N -3.18 0.00 0.27 -0.44 -1.32 -0.72 -5.07 115.64 105.19 3k2p s THR 472 Ca 0.22 -1.73 0.03 0.00 -1.21 0.00 0.00 61.69 59.00 3k2p s THR 472 Cb -0.03 -2.41 -0.06 0.00 -1.51 0.00 0.00 72.50 68.49 3k2p s THR 472 CO 0.41 0.00 0.04 0.42 -2.21 0.00 0.00 174.62 173.28 3k2p s THR 473 N -3.90 1.01 0.12 5.08 -4.23 -1.26 -4.68 115.64 107.78 3k2p s THR 473 Ca 0.32 -2.02 -0.32 0.00 -1.18 0.00 0.00 61.69 58.49 3k2p s THR 473 Cb 0.03 -2.58 -0.11 0.00 1.34 0.00 0.00 72.50 71.17 3k2p s THR 473 CO 0.13 -0.13 1.53 0.78 -0.54 0.00 0.00 174.62 176.39 3k2p h ASN 474 N 2.31 -1.73 -0.51 3.99 -0.26 -1.90 -1.47 115.58 116.01 3k2p h ASN 474 Ca -0.39 0.22 0.04 0.00 -0.56 0.00 0.00 56.30 55.60 3k2p h ASN 474 Cb 1.24 0.69 -0.03 0.00 -1.06 0.00 0.00 38.32 39.16 3k2p h ASN 474 CO 0.66 -0.42 0.34 1.56 -1.06 0.00 0.00 177.43 178.50 3k2p h GLN 475 N -0.46 0.54 -0.36 0.81 7.50 -1.97 -1.08 115.11 120.08 3k2p h GLN 475 Ca 0.05 -0.03 -0.07 0.00 0.50 0.00 0.00 58.65 59.10 3k2p h GLN 475 Cb 0.61 -0.12 -0.02 0.00 0.05 0.00 0.00 27.48 28.00 3k2p h GLN 475 CO -0.50 0.36 -0.08 -0.22 -1.50 0.00 0.00 178.83 176.88 3k2p h LYS 476 N 0.55 0.61 -0.31 1.46 3.64 -1.79 -2.73 116.57 118.01 3k2p h LYS 476 Ca 0.21 -0.17 -0.12 0.00 -1.27 0.00 0.00 60.65 59.29 3k2p h LYS 476 Cb 0.13 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 3k2p h LYS 476 CO -0.05 0.69 -0.27 1.79 -2.27 0.00 0.00 179.45 179.34 3k2p h THR 477 N 0.57 1.30 -0.76 1.00 1.35 -0.27 -0.19 112.91 115.90 3k2p h THR 477 Ca 0.11 -1.43 0.10 0.00 -0.55 0.00 0.00 66.41 64.63 3k2p h THR 477 Cb 0.48 1.52 -0.07 0.00 -1.73 0.00 0.00 68.15 68.35 3k2p h THR 477 CO 0.03 0.46 0.41 -0.33 -0.25 0.00 0.00 175.52 175.84 3k2p h GLU 478 N 0.49 0.66 -0.02 4.72 4.39 -1.21 0.15 114.58 123.76 3k2p h GLU 478 Ca 0.05 -0.04 -0.16 0.00 0.34 0.00 0.00 59.36 59.55 3k2p h GLU 478 Cb 0.84 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.33 3k2p h GLU 478 CO 0.07 0.44 -0.73 -0.07 -1.16 0.00 0.00 179.01 177.55 3k2p h LEU 479 N 0.68 0.18 -0.38 1.33 -0.00 -1.32 -2.80 115.31 113.00 3k2p h LEU 479 Ca 0.37 -0.12 -0.07 0.00 -0.00 0.00 0.00 57.88 58.06 3k2p h LEU 479 Cb 0.38 -0.05 -0.01 0.00 -0.00 0.00 0.00 40.66 40.98 3k2p h LEU 479 CO -0.26 0.85 -0.05 -0.61 -0.00 0.00 0.00 178.44 178.37 3k2p h GLN 480 N 0.09 0.70 -0.96 1.13 5.75 -0.49 -1.10 115.11 120.24 3k2p h GLN 480 Ca -0.02 -0.25 0.08 0.00 -0.15 0.00 0.00 58.65 58.32 3k2p h GLN 480 Cb 1.30 -0.05 -0.07 0.00 1.07 0.00 0.00 27.48 29.73 3k2p h GLN 480 CO 0.11 0.83 0.62 0.00 -2.65 0.00 0.00 178.83 177.73 3k2p h ALA 481 N 0.85 1.51 -0.20 3.38 0.00 -0.62 -1.84 119.26 122.34 3k2p h ALA 481 Ca 0.10 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 3k2p h ALA 481 Cb 0.54 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 3k2p h ALA 481 CO 0.03 0.32 -0.31 0.82 0.00 0.00 0.00 179.25 180.11 3k2p h ILE 482 N 1.04 1.33 -0.81 0.00 2.04 -1.21 -1.12 117.51 118.77 3k2p h ILE 482 Ca 0.43 -1.52 0.13 0.00 1.00 0.00 0.00 64.86 64.90 3k2p h ILE 482 Cb 0.30 1.82 -0.09 0.00 -0.74 0.00 0.00 36.82 38.11 3k2p h ILE 482 CO -0.19 0.47 0.41 0.22 0.00 0.00 0.00 178.15 179.06 3k2p h TYR 483 N 0.25 0.73 -0.33 1.37 3.20 -0.99 -1.35 116.97 119.85 3k2p h TYR 483 Ca 0.02 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.88 3k2p h TYR 483 Cb 0.89 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.94 3k2p h TYR 483 CO 0.09 0.21 0.06 -0.07 -1.64 0.00 0.00 178.16 176.80 3k2p h LEU 484 N 0.63 0.52 -0.01 2.82 4.07 -1.11 0.45 115.31 122.68 3k2p h LEU 484 Ca 0.43 -0.25 0.02 0.00 0.08 0.00 0.00 57.88 58.15 3k2p h LEU 484 Cb 0.55 -0.14 -0.02 0.00 1.08 0.00 0.00 40.66 42.13 3k2p h LEU 484 CO -0.33 0.64 -0.10 0.00 -1.08 0.00 0.00 178.44 177.57 3k2p h ALA 485 N 0.90 -0.11 -0.78 1.53 0.00 -0.75 -0.83 119.26 119.21 3k2p h ALA 485 Ca 0.10 0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.09 3k2p h ALA 485 Cb 0.34 0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.25 3k2p h ALA 485 CO 0.01 -0.59 0.46 -0.07 0.00 0.00 0.00 179.25 179.06 3k2p h LEU 486 N -0.17 0.70 -0.49 0.00 3.38 -1.21 -2.34 115.31 115.19 3k2p h LEU 486 Ca 0.04 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 3k2p h LEU 486 Cb 0.22 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 3k2p h LEU 486 CO -0.11 0.44 0.12 1.56 0.09 0.00 0.00 178.44 180.54 3k2p h GLN 487 N 0.84 0.78 -0.06 1.13 4.20 -0.11 -3.16 115.11 118.73 3k2p h GLN 487 Ca 0.35 -0.19 0.00 0.00 0.06 0.00 0.00 58.65 58.88 3k2p h GLN 487 Cb 0.21 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.89 3k2p h GLN 487 CO -0.19 0.76 0.00 -0.25 -0.67 0.00 0.00 178.83 178.47 3k2p n ASP 488 N -4.47 1.41 0.00 1.46 9.92 -0.39 -4.75 116.55 119.72 3k2p n ASP 488 Ca 0.01 -1.53 0.00 0.00 -0.53 0.00 0.00 54.79 52.74 3k2p n ASP 488 Cb 0.22 -0.03 0.00 0.00 -0.64 0.00 0.00 41.12 40.67 3k2p n ASP 488 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 3k2p n SER 489 N 0.12 0.00 0.00 -2.24 3.41 -0.89 -5.07 113.62 108.95 3k2p n SER 489 Ca 0.18 0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.83 3k2p n SER 489 Cb 0.32 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 3k2p n SER 489 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3k2p n GLY 490 N 2.46 3.53 0.17 5.00 0.00 -1.26 -5.01 105.19 110.07 3k2p n GLY 490 Ca 0.00 -1.40 0.04 0.00 0.00 0.00 0.00 46.02 44.67 3k2p n GLY 490 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3k2p h LEU 491 N 0.00 0.00 -8.88 0.99 3.38 -1.95 -3.42 115.31 105.43 3k2p h LEU 491 Ca 0.00 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.30 3k2p h LEU 491 Cb 0.00 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 40.53 3k2p h LEU 491 CO 0.00 0.43 -0.72 -1.61 0.09 0.00 0.00 178.44 176.64 3k2p s GLU 492 N -3.30 3.13 -0.07 1.13 2.02 -1.26 0.44 118.70 120.79 3k2p s GLU 492 Ca 0.02 -0.60 -0.22 0.00 0.02 0.00 0.00 54.97 54.19 3k2p s GLU 492 Cb 0.09 -2.66 0.05 0.00 0.10 0.00 0.00 34.13 31.71 3k2p s GLU 492 CO 0.71 0.43 0.50 0.54 0.02 0.00 0.00 175.26 177.46 3k2p s VAL 493 N -0.19 0.02 -0.10 2.63 0.11 -0.11 -4.55 120.40 118.21 3k2p s VAL 493 Ca 0.02 -0.19 0.00 0.00 -2.93 0.00 0.00 61.98 58.88 3k2p s VAL 493 Cb -0.13 -0.79 -0.02 0.00 -1.53 0.00 0.00 36.38 33.90 3k2p s VAL 493 CO 0.03 -0.10 -0.09 0.20 -3.33 0.00 0.00 175.10 171.80 3k2p s ASN 494 N -0.94 4.41 -0.07 3.54 0.01 -0.85 -1.09 114.94 119.96 3k2p s ASN 494 Ca -0.10 -0.16 0.03 0.00 -0.71 0.00 0.00 52.86 51.93 3k2p s ASN 494 Cb -0.03 -1.37 0.01 0.00 0.41 0.00 0.00 41.25 40.27 3k2p s ASN 494 CO 0.06 0.26 -0.16 -0.63 -1.51 0.00 0.00 177.10 175.12 3k2p s ILE 495 N -0.22 1.42 -0.21 0.60 1.01 0.64 0.20 121.20 124.65 3k2p s ILE 495 Ca 0.02 -0.66 0.01 0.00 0.00 0.00 0.00 60.65 60.03 3k2p s ILE 495 Cb -0.13 -1.26 0.04 0.00 0.01 0.00 0.00 42.46 41.12 3k2p s ILE 495 CO 0.03 0.42 -0.13 -0.69 0.00 0.00 0.00 174.94 174.57 3k2p s VAL 496 N 0.46 1.84 0.15 2.92 1.01 0.61 -0.37 120.40 127.01 3k2p s VAL 496 Ca -0.14 -1.11 0.07 0.00 0.00 0.00 0.00 61.98 60.80 3k2p s VAL 496 Cb -0.15 -1.86 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 3k2p s VAL 496 CO 0.05 0.21 -0.01 0.42 0.00 0.00 0.00 175.10 175.77 3k2p s THR 497 N 1.32 3.74 -1.81 3.92 -4.23 -0.55 -1.42 115.64 116.61 3k2p s THR 497 Ca -0.01 -1.31 0.22 0.00 -1.18 0.00 0.00 61.69 59.41 3k2p s THR 497 Cb -0.16 -2.84 0.65 0.00 1.34 0.00 0.00 72.50 71.48 3k2p s THR 497 CO -0.09 -0.03 1.54 -0.90 -0.54 0.00 0.00 174.62 174.61 3k2p n ASP 498 N 0.14 4.05 -4.32 3.99 5.68 -1.25 -0.41 116.55 124.43 3k2p n ASP 498 Ca -0.10 -2.07 -0.46 0.00 -0.50 0.00 0.00 54.79 51.66 3k2p n ASP 498 Cb 0.54 -0.50 -0.04 0.00 -1.14 0.00 0.00 41.12 39.99 3k2p n ASP 498 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 3k2p s SER 499 N -0.99 6.44 0.26 -1.12 0.15 -1.26 -4.60 113.70 112.57 3k2p s SER 499 Ca 0.49 -2.20 -0.02 0.00 0.70 0.00 0.00 55.95 54.92 3k2p s SER 499 Cb 0.26 -2.21 0.53 0.00 -1.71 0.00 0.00 66.02 62.90 3k2p s SER 499 CO 0.32 -0.73 1.70 1.56 1.20 0.00 0.00 173.24 177.29 3k2p h GLN 500 N 8.39 0.35 0.04 5.44 1.08 -1.93 -1.76 115.11 126.71 3k2p h GLN 500 Ca -0.12 -0.02 0.03 0.00 -1.45 0.00 0.00 58.65 57.09 3k2p h GLN 500 Cb 1.07 -0.08 -0.04 0.00 -0.05 0.00 0.00 27.48 28.38 3k2p h GLN 500 CO 0.91 0.23 -0.27 -0.92 -0.95 0.00 0.00 178.83 177.83 3k2p h TYR 501 N 0.36 -0.73 -0.43 2.96 5.03 -2.00 -1.18 116.97 120.98 3k2p h TYR 501 Ca 0.46 0.02 -0.09 0.00 2.58 0.00 0.00 58.73 61.69 3k2p h TYR 501 Cb 0.78 0.32 -0.02 0.00 1.55 0.00 0.00 36.73 39.36 3k2p h TYR 501 CO -0.20 -0.37 -0.11 0.00 -1.32 0.00 0.00 178.16 176.16 3k2p h ALA 502 N 0.33 1.01 -0.42 1.82 0.00 -1.90 -2.73 119.26 117.37 3k2p h ALA 502 Ca 0.05 -0.31 0.06 0.00 0.00 0.00 0.00 54.91 54.71 3k2p h ALA 502 Cb 0.50 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 3k2p h ALA 502 CO -0.21 0.59 0.10 1.25 0.00 0.00 0.00 179.25 180.99 3k2p h LEU 503 N 0.69 0.06 -0.24 0.00 5.85 -1.12 -0.74 115.31 119.82 3k2p h LEU 503 Ca 0.12 0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.93 3k2p h LEU 503 Cb 0.58 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.66 3k2p h LEU 503 CO 0.04 0.07 0.07 1.23 -0.34 0.00 0.00 178.44 179.51 3k2p h GLY 504 N 0.25 0.28 0.27 3.75 0.00 -1.05 0.30 103.07 106.88 3k2p h GLY 504 Ca 0.20 -0.04 0.06 0.00 0.00 0.00 0.00 47.33 47.55 3k2p h GLY 504 CO -0.24 0.02 -0.17 -2.22 0.00 0.00 0.00 176.54 173.93 3k2p h ILE 505 N 0.18 0.52 -0.11 2.60 2.04 -1.04 -0.90 117.51 120.80 3k2p h ILE 505 Ca 0.10 0.00 -0.22 0.00 1.00 0.00 0.00 64.86 65.75 3k2p h ILE 505 Cb 0.08 0.52 0.01 0.00 -0.74 0.00 0.00 36.82 36.68 3k2p h ILE 505 CO -0.11 0.00 -0.80 0.40 0.00 0.00 0.00 178.15 177.63 3k2p h ILE 506 N -0.16 1.31 0.00 -0.67 2.04 -0.98 -3.01 117.51 116.04 3k2p h ILE 506 Ca 0.14 -2.08 -0.00 0.00 1.00 0.00 0.00 64.86 63.92 3k2p h ILE 506 Cb 0.37 2.08 -0.00 0.00 -0.74 0.00 0.00 36.82 38.53 3k2p h ILE 506 CO -0.34 0.65 -0.01 1.56 0.00 0.00 0.00 178.15 180.00 3k2p h GLN 507 N 0.43 0.00 0.00 2.37 4.20 -0.07 -2.25 115.11 119.79 3k2p h GLN 507 Ca -0.06 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.65 3k2p h GLN 507 Cb 1.42 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.20 3k2p h GLN 507 CO 0.16 0.01 0.00 0.00 -0.67 0.00 0.00 178.83 178.33 3k2p n ALA 508 N -2.10 2.24 -3.70 3.87 0.00 -0.37 -4.95 120.51 115.50 3k2p n ALA 508 Ca 0.01 -0.10 -0.28 0.00 0.00 0.00 0.00 53.44 53.06 3k2p n ALA 508 Cb 0.35 -1.42 0.02 0.00 0.00 0.00 0.00 19.45 18.40 3k2p n ALA 508 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3k2p n GLN 509 N -1.41 -1.13 -1.17 0.00 6.02 -0.85 -4.94 117.38 113.89 3k2p n GLN 509 Ca 0.09 0.60 -0.31 0.00 -0.01 0.00 0.00 57.00 57.38 3k2p n GLN 509 Cb 0.27 -3.56 0.12 0.00 1.02 0.00 0.00 30.24 28.08 3k2p n GLN 509 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 177.06 173.91 3k2p s PRO 510 N -5.58 1.73 -0.11 -1.09 0.02 -1.26 -4.97 135.00 123.74 3k2p s PRO 510 Ca 0.29 1.08 -0.06 0.00 0.02 0.00 0.00 61.00 62.33 3k2p s PRO 510 Cb -0.12 -1.84 -0.26 0.00 0.02 0.00 0.00 34.50 32.29 3k2p s PRO 510 CO 0.88 -1.99 0.41 -0.44 -0.33 0.00 0.00 177.00 175.52 3k2p h ASP 511 N -1.38 0.42 -5.01 2.53 3.32 -2.00 -3.49 116.42 110.82 3k2p h ASP 511 Ca -0.46 -0.92 -0.11 0.00 0.02 0.00 0.00 57.03 55.56 3k2p h ASP 511 Cb 1.25 -0.14 -0.19 0.00 0.22 0.00 0.00 39.33 40.48 3k2p h ASP 511 CO 0.51 1.82 -0.23 -0.75 -1.72 0.00 0.00 179.24 178.88 3k2p s LYS 512 N -2.56 0.74 0.22 3.56 2.20 -1.26 -5.04 119.74 117.60 3k2p s LYS 512 Ca -0.21 -0.26 0.06 0.00 -0.36 0.00 0.00 55.97 55.19 3k2p s LYS 512 Cb 0.07 0.33 -0.05 0.00 -1.51 0.00 0.00 37.83 36.66 3k2p s LYS 512 CO 0.78 -0.22 -0.08 0.45 -0.36 0.00 0.00 175.35 175.92 3k2p s SER 513 N -1.56 2.27 0.40 1.43 0.15 -1.26 -5.04 113.70 110.09 3k2p s SER 513 Ca -0.11 -1.11 0.21 0.00 0.70 0.00 0.00 55.95 55.64 3k2p s SER 513 Cb -0.03 -0.08 0.77 0.00 -1.71 0.00 0.00 66.02 64.97 3k2p s SER 513 CO 0.02 -0.33 1.77 -0.33 1.20 0.00 0.00 173.24 175.57 3k2p h GLU 514 N 2.51 0.00 -6.15 5.44 4.39 -2.02 -3.44 114.58 115.32 3k2p h GLU 514 Ca -0.38 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 58.75 3k2p h GLU 514 Cb 1.22 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.82 3k2p h GLU 514 CO 0.64 0.31 0.57 0.45 -1.16 0.00 0.00 179.01 179.82 3k2p s SER 515 N -6.35 7.15 0.23 1.42 0.15 -1.26 -4.93 113.70 110.11 3k2p s SER 515 Ca 0.00 1.41 -0.06 0.00 0.70 0.00 0.00 55.95 58.00 3k2p s SER 515 Cb 0.11 -2.53 0.34 0.00 -1.71 0.00 0.00 66.02 62.23 3k2p s SER 515 CO 0.67 -0.48 1.81 -0.08 1.20 0.00 0.00 173.24 176.36 3k2p h GLU 516 N 7.22 0.73 -0.82 5.44 4.81 -2.00 -2.11 114.58 127.85 3k2p h GLU 516 Ca -0.28 -0.04 0.05 0.00 -0.13 0.00 0.00 59.36 58.95 3k2p h GLU 516 Cb 1.13 -0.16 -0.05 0.00 0.63 0.00 0.00 28.75 30.29 3k2p h GLU 516 CO 0.87 0.48 0.52 1.25 -0.73 0.00 0.00 179.01 181.40 3k2p h LEU 517 N 0.75 0.84 -0.29 1.64 6.46 -1.97 -1.69 115.31 121.04 3k2p h LEU 517 Ca 0.36 0.01 -0.09 0.00 -0.12 0.00 0.00 57.88 58.04 3k2p h LEU 517 Cb 0.30 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 40.05 3k2p h LEU 517 CO -0.23 0.56 -0.16 0.58 -0.62 0.00 0.00 178.44 178.57 3k2p h VAL 518 N 0.98 1.30 -0.56 1.05 2.07 -1.89 -1.48 116.25 117.72 3k2p h VAL 518 Ca 0.34 -1.27 -0.01 0.00 0.82 0.00 0.00 66.70 66.59 3k2p h VAL 518 Cb 0.08 1.50 -0.03 0.00 -1.52 0.00 0.00 31.29 31.32 3k2p h VAL 518 CO -0.14 0.40 0.32 0.78 0.02 0.00 0.00 177.57 178.95 3k2p h ASN 519 N 0.36 0.67 -0.50 0.57 2.35 -1.02 0.18 115.58 118.19 3k2p h ASN 519 Ca 0.06 -0.04 -0.10 0.00 -0.55 0.00 0.00 56.30 55.68 3k2p h ASN 519 Cb 0.69 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.87 3k2p h ASN 519 CO 0.05 0.53 -0.06 1.56 -1.65 0.00 0.00 177.43 177.85 3k2p h GLN 520 N 0.77 0.93 -0.15 0.81 4.20 -1.10 -1.05 115.11 119.52 3k2p h GLN 520 Ca 0.20 -0.33 -0.00 0.00 0.06 0.00 0.00 58.65 58.58 3k2p h GLN 520 Cb -0.01 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 3k2p h GLN 520 CO -0.04 0.98 0.09 0.82 -0.67 0.00 0.00 178.83 180.02 3k2p h ILE 521 N 0.79 1.06 -0.90 2.54 2.04 -0.32 -1.71 117.51 121.02 3k2p h ILE 521 Ca 0.13 -0.16 0.04 0.00 1.00 0.00 0.00 64.86 65.88 3k2p h ILE 521 Cb 0.60 0.90 -0.05 0.00 -0.74 0.00 0.00 36.82 37.53 3k2p h ILE 521 CO 0.04 0.06 0.59 0.40 0.00 0.00 0.00 178.15 179.24 3k2p h ILE 522 N 0.17 1.13 -0.48 -0.67 2.04 -0.51 -1.10 117.51 118.09 3k2p h ILE 522 Ca 0.05 -0.38 -0.07 0.00 1.00 0.00 0.00 64.86 65.46 3k2p h ILE 522 Cb 0.02 -0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.02 3k2p h ILE 522 CO -0.01 0.20 0.01 -0.08 0.00 0.00 0.00 178.15 178.27 3k2p h GLU 523 N 1.09 0.84 -0.27 2.37 4.81 -0.83 -1.04 114.58 121.55 3k2p h GLU 523 Ca 0.36 -0.26 0.05 0.00 -0.13 0.00 0.00 59.36 59.38 3k2p h GLU 523 Cb 0.07 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.33 3k2p h GLU 523 CO -0.12 0.88 0.00 1.96 -0.73 0.00 0.00 179.01 181.01 3k2p h GLN 524 N 0.69 0.09 -0.54 1.92 1.08 -0.99 -2.45 115.11 114.91 3k2p h GLN 524 Ca 0.14 -0.01 -0.03 0.00 -1.45 0.00 0.00 58.65 57.30 3k2p h GLN 524 Cb 0.49 -0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.88 3k2p h GLN 524 CO 0.02 0.06 0.22 -0.07 -0.95 0.00 0.00 178.83 178.11 3k2p h LEU 525 N 0.09 0.70 -1.10 1.46 3.38 -1.03 -1.74 115.31 117.08 3k2p h LEU 525 Ca 0.13 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 3k2p h LEU 525 Cb 0.17 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3k2p h LEU 525 CO -0.22 0.63 -0.05 0.40 0.09 0.00 0.00 178.44 179.30 3k2p h ILE 526 N 0.77 1.22 -0.27 1.22 2.04 -0.98 -3.02 117.51 118.49 3k2p h ILE 526 Ca 0.18 -0.93 -0.00 0.00 1.00 0.00 0.00 64.86 65.11 3k2p h ILE 526 Cb 0.14 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 3k2p h ILE 526 CO -0.02 0.31 0.16 0.50 0.00 0.00 0.00 178.15 179.10 3k2p h LYS 527 N 0.55 0.36 -7.18 2.37 1.63 -0.85 -3.46 116.57 110.00 3k2p h LYS 527 Ca 0.11 -0.03 -0.48 0.00 -0.85 0.00 0.00 60.65 59.41 3k2p h LYS 527 Cb 0.42 -0.08 0.03 0.00 -0.60 0.00 0.00 32.23 32.00 3k2p h LYS 527 CO 0.02 0.26 0.38 0.15 -3.45 0.00 0.00 179.45 176.81 3k2p s LYS 528 N -5.30 3.76 -0.14 1.90 -0.14 -1.02 -5.00 119.74 113.80 3k2p s LYS 528 Ca -0.07 1.06 -0.27 0.00 -1.36 0.00 0.00 55.97 55.33 3k2p s LYS 528 Cb 0.17 -2.10 -0.26 0.00 -1.68 0.00 0.00 37.83 33.96 3k2p s LYS 528 CO 0.71 -0.44 0.71 0.93 -0.76 0.00 0.00 175.35 176.51 3k2p h GLU 529 N 0.84 0.05 -3.80 1.68 5.08 -0.34 -3.46 114.58 114.62 3k2p h GLU 529 Ca -0.47 -0.08 -0.42 0.00 -1.00 0.00 0.00 59.36 57.40 3k2p h GLU 529 Cb 1.20 0.03 -0.36 0.00 0.50 0.00 0.00 28.75 30.11 3k2p h GLU 529 CO 0.60 1.04 -0.77 0.15 -1.00 0.00 0.00 179.01 179.03 3k2p s LYS 530 N -2.27 0.63 -0.05 2.33 1.02 -0.89 -5.01 119.74 115.50 3k2p s LYS 530 Ca -0.20 0.04 0.06 0.00 0.02 0.00 0.00 55.97 55.89 3k2p s LYS 530 Cb -0.01 -0.86 -0.01 0.00 -0.52 0.00 0.00 37.83 36.43 3k2p s LYS 530 CO 0.70 -0.21 -0.23 0.54 -0.92 0.00 0.00 175.35 175.23 3k2p s VAL 531 N 1.52 1.84 -0.18 3.17 0.11 -1.26 -0.93 120.40 124.67 3k2p s VAL 531 Ca -0.02 -0.96 0.01 0.00 -2.93 0.00 0.00 61.98 58.08 3k2p s VAL 531 Cb -0.13 -1.56 0.02 0.00 -1.53 0.00 0.00 36.38 33.18 3k2p s VAL 531 CO -0.03 0.52 -0.20 -0.47 -3.33 0.00 0.00 175.10 171.59 3k2p s TYR 532 N -0.17 2.74 -0.15 1.54 5.04 -0.25 -0.39 117.35 125.71 3k2p s TYR 532 Ca -0.02 -1.61 -0.03 0.00 -2.44 0.00 0.00 57.07 52.98 3k2p s TYR 532 Cb -0.12 -1.89 -0.02 0.00 0.35 0.00 0.00 41.96 40.27 3k2p s TYR 532 CO 0.02 -0.79 -0.07 -1.17 -1.34 0.00 0.00 175.55 172.21 3k2p s LEU 533 N 1.28 3.06 0.25 6.97 2.96 -1.26 -0.26 118.68 131.68 3k2p s LEU 533 Ca 0.04 -0.20 0.06 0.00 -0.22 0.00 0.00 54.13 53.81 3k2p s LEU 533 Cb -0.13 -1.72 -0.05 0.00 0.50 0.00 0.00 46.19 44.78 3k2p s LEU 533 CO -0.12 0.16 -0.07 0.00 -1.32 0.00 0.00 176.35 175.00 3k2p s ALA 534 N 0.40 2.19 0.03 5.97 0.00 0.50 -4.97 121.76 125.88 3k2p s ALA 534 Ca -0.06 -1.83 0.07 0.00 0.00 0.00 0.00 51.96 50.14 3k2p s ALA 534 Cb -0.15 0.16 -0.03 0.00 0.00 0.00 0.00 23.12 23.10 3k2p s ALA 534 CO 0.04 -0.06 -0.18 -0.46 0.00 0.00 0.00 175.76 175.10 3k2p s TRP 535 N -3.06 2.57 0.03 0.00 -0.00 -1.26 -1.49 118.94 115.74 3k2p s TRP 535 Ca 0.28 -0.25 -0.03 0.00 -0.00 0.00 0.00 56.10 56.09 3k2p s TRP 535 Cb 0.03 -1.48 -0.02 0.00 -0.00 0.00 0.00 33.47 32.00 3k2p s TRP 535 CO 0.10 0.24 0.04 0.14 -0.00 0.00 0.00 176.95 177.47 3k2p s VAL 536 N -0.90 0.13 0.25 5.86 -7.23 0.45 -4.93 120.40 114.04 3k2p s VAL 536 Ca 0.14 -1.04 -0.30 0.00 -1.81 0.00 0.00 61.98 58.97 3k2p s VAL 536 Cb -0.10 -0.65 -0.09 0.00 0.56 0.00 0.00 36.38 36.09 3k2p s VAL 536 CO 0.05 -0.58 1.18 -2.16 -0.31 0.00 0.00 175.10 173.28 3k2p s PRO 537 N -2.13 4.53 0.54 4.82 0.04 -1.26 -3.79 135.00 137.76 3k2p s PRO 537 Ca -0.09 1.91 -0.22 0.00 0.04 0.00 0.00 61.00 62.64 3k2p s PRO 537 Cb -0.04 -3.19 -0.05 0.00 0.04 0.00 0.00 34.50 31.26 3k2p s PRO 537 CO -0.03 0.03 1.29 0.00 0.04 0.00 0.00 177.00 178.33 3k2p n ALA 538 N 1.60 1.33 -3.32 8.56 0.00 -1.26 -3.66 120.51 123.76 3k2p n ALA 538 Ca 0.01 0.12 -0.23 0.00 0.00 0.00 0.00 53.44 53.34 3k2p n ALA 538 Cb 0.44 -2.31 0.01 0.00 0.00 0.00 0.00 19.45 17.59 3k2p n ALA 538 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3k2p n HIS 539 N -1.08 -1.85 -1.16 0.00 8.25 -1.26 -4.89 115.22 113.23 3k2p n HIS 539 Ca 0.11 0.50 0.06 0.00 -0.26 0.00 0.00 57.72 58.13 3k2p n HIS 539 Cb 0.44 -3.32 0.21 0.00 1.12 0.00 0.00 29.99 28.45 3k2p n HIS 539 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3k2p n LYS 540 N -3.84 2.16 -0.56 -0.41 4.76 -1.24 -4.99 118.16 114.04 3k2p n LYS 540 Ca -0.03 -2.89 0.00 0.00 -2.87 0.00 0.00 58.31 52.52 3k2p n LYS 540 Cb 0.56 -1.74 0.00 0.00 -1.84 0.00 0.00 35.03 32.01 3k2p n LYS 540 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3k2p n GLY 541 N -0.93 1.18 3.58 0.72 0.00 -1.26 -4.98 105.19 103.50 3k2p n GLY 541 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 3k2p n GLY 541 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3k2p s ILE 542 N -3.30 3.38 0.20 -0.61 1.09 -1.26 -4.88 121.20 115.82 3k2p s ILE 542 Ca 0.00 0.35 -0.10 0.00 -1.10 0.00 0.00 60.65 59.79 3k2p s ILE 542 Cb 0.00 -3.63 0.13 0.00 -1.06 0.00 0.00 42.46 37.89 3k2p s ILE 542 CO 0.00 -0.48 1.79 1.23 -0.10 0.00 0.00 174.94 177.37 3k2p h GLY 543 N 14.96 0.88 1.08 6.18 0.00 -1.99 -1.28 103.07 122.89 3k2p h GLY 543 Ca -0.31 -0.21 -0.10 0.00 0.00 0.00 0.00 47.33 46.71 3k2p h GLY 543 CO 1.09 0.10 -0.04 -1.33 0.00 0.00 0.00 176.54 176.36 3k2p h GLY 544 N 0.57 1.13 0.80 4.60 0.00 -1.97 -2.09 103.07 106.11 3k2p h GLY 544 Ca 0.28 -0.86 0.04 0.00 0.00 0.00 0.00 47.33 46.79 3k2p h GLY 544 CO -0.20 0.79 0.38 -0.57 0.00 0.00 0.00 176.54 176.93 3k2p h ASN 545 N 0.93 0.59 -0.47 0.19 -1.24 -1.66 -2.14 115.58 111.78 3k2p h ASN 545 Ca 0.16 0.01 -0.04 0.00 0.71 0.00 0.00 56.30 57.14 3k2p h ASN 545 Cb 0.60 -0.11 -0.02 0.00 0.73 0.00 0.00 38.32 39.52 3k2p h ASN 545 CO 0.04 0.40 0.13 -0.08 -1.29 0.00 0.00 177.43 176.63 3k2p h GLU 546 N 0.72 0.74 -0.37 6.67 4.57 -1.16 -1.48 114.58 124.28 3k2p h GLU 546 Ca 0.27 -0.17 0.01 0.00 -1.18 0.00 0.00 59.36 58.28 3k2p h GLU 546 Cb 0.08 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.55 3k2p h GLU 546 CO -0.13 0.72 0.24 1.96 -1.18 0.00 0.00 179.01 180.62 3k2p h GLN 547 N 0.63 0.48 -0.20 1.92 4.20 -1.23 -2.48 115.11 118.42 3k2p h GLN 547 Ca 0.15 -0.03 -0.12 0.00 0.06 0.00 0.00 58.65 58.72 3k2p h GLN 547 Cb 0.30 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 3k2p h GLN 547 CO -0.00 0.32 -0.37 -0.24 -0.67 0.00 0.00 178.83 177.87 3k2p h VAL 548 N 0.49 1.29 -0.47 -0.54 3.04 -1.27 -2.80 116.25 115.99 3k2p h VAL 548 Ca 0.14 -1.48 0.06 0.00 -1.01 0.00 0.00 66.70 64.41 3k2p h VAL 548 Cb -0.05 1.54 -0.05 0.00 -2.01 0.00 0.00 31.29 30.72 3k2p h VAL 548 CO -0.04 0.46 0.17 -0.78 -1.01 0.00 0.00 177.57 176.37 3k2p h ASP 549 N 0.37 0.18 0.06 3.17 1.82 -1.07 -0.61 116.42 120.34 3k2p h ASP 549 Ca 0.04 0.05 -0.05 0.00 -0.39 0.00 0.00 57.03 56.68 3k2p h ASP 549 Cb 0.82 0.04 -0.01 0.00 0.68 0.00 0.00 39.33 40.85 3k2p h ASP 549 CO 0.07 0.13 -0.15 0.50 -1.61 0.00 0.00 179.24 178.18 3k2p h LYS 550 N 0.34 0.19 -0.17 0.28 3.64 -1.35 -0.41 116.57 119.09 3k2p h LYS 550 Ca 0.22 -0.04 -0.22 0.00 -1.27 0.00 0.00 60.65 59.34 3k2p h LYS 550 Cb 0.22 -0.03 0.01 0.00 -0.41 0.00 0.00 32.23 32.02 3k2p h LYS 550 CO -0.22 0.35 -0.74 -0.07 -2.27 0.00 0.00 179.45 176.49 3k2p h LEU 551 N 0.18 0.93 0.00 5.20 3.38 -0.92 -2.76 115.31 121.32 3k2p h LEU 551 Ca 0.04 -0.59 -0.04 0.00 0.09 0.00 0.00 57.88 57.38 3k2p h LEU 551 Cb 0.38 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3k2p h LEU 551 CO 0.02 1.39 -0.64 -0.37 0.09 0.00 0.00 178.44 178.93 3k2p h VAL 552 N 0.55 0.19 0.00 1.22 -1.51 -0.97 -3.33 116.25 112.40 3k2p h VAL 552 Ca -0.04 -1.30 0.00 0.00 -1.23 0.00 0.00 66.70 64.13 3k2p h VAL 552 Cb 1.36 1.87 0.00 0.00 -2.13 0.00 0.00 31.29 32.40 3k2p h VAL 552 CO 0.15 0.11 -1.00 -1.54 -1.23 0.00 0.00 177.57 174.06 3k2p n SER 553 N -2.93 0.66 -4.65 4.19 3.41 -0.18 -4.41 113.62 109.71 3k2p n SER 553 Ca 0.00 -0.42 -0.49 0.00 -0.26 0.00 0.00 58.87 57.71 3k2p n SER 553 Cb 0.61 0.84 -0.05 0.00 -0.26 0.00 0.00 64.21 65.35 3k2p n SER 553 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3k2p n ALA 554 N -1.71 0.44 -1.06 7.33 0.00 -1.04 -1.16 120.51 123.30 3k2p n ALA 554 Ca 0.03 0.45 -0.07 0.00 0.00 0.00 0.00 53.44 53.84 3k2p n ALA 554 Cb 0.40 -2.27 -0.03 0.00 0.00 0.00 0.00 19.45 17.55 3k2p n ALA 554 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k2p n GLY 555 N 3.26 0.69 0.92 0.00 0.00 -1.26 -4.78 105.19 104.03 3k2p n GLY 555 Ca 0.19 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.19 3k2p n GLY 555 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3k2p n ILE 556 N -1.69 1.07 1.82 -0.61 2.08 -0.31 -5.12 119.36 116.61 3k2p n ILE 556 Ca -0.07 0.30 0.15 0.00 0.56 0.00 0.00 62.75 63.69 3k2p n ILE 556 Cb 0.42 -1.66 0.80 0.00 -0.75 0.00 0.00 39.64 38.45 3k2p n ILE 556 CO 0.00 0.00 0.00 -1.14 0.56 0.00 0.00 176.55 175.97