#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 0.64 -0.12 -3.48 0.00 -1.26 -5.02 119.66 110.42 3k2p s GLN 428 Ca 0.00 -1.12 -0.03 0.00 -0.00 0.00 0.00 55.36 54.21 3k2p s GLN 428 Cb 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 33.01 32.97 3k2p s GLN 428 CO 0.00 -0.05 0.01 -0.51 0.00 0.00 0.00 175.29 174.74 3k2p s LEU 429 N -2.60 3.61 0.34 2.60 2.01 -1.26 -4.52 118.68 118.87 3k2p s LEU 429 Ca 0.03 0.11 -0.27 0.00 0.01 0.00 0.00 54.13 54.01 3k2p s LEU 429 Cb 0.02 -1.85 -0.09 0.00 0.01 0.00 0.00 46.19 44.28 3k2p s LEU 429 CO -0.06 0.31 1.07 -1.61 1.01 0.00 0.00 176.35 177.07 3k2p s GLU 430 N -0.45 4.38 0.00 1.70 0.41 -0.04 -4.95 118.70 119.76 3k2p s GLU 430 Ca 0.08 1.65 0.26 0.00 -0.41 0.00 0.00 54.97 56.56 3k2p s GLU 430 Cb -0.12 -2.85 0.67 0.00 -1.78 0.00 0.00 34.13 30.05 3k2p s GLU 430 CO 0.02 0.02 1.52 1.63 -0.49 0.00 0.00 175.26 177.96 3k2p n LYS 431 N 0.52 0.25 -4.24 1.61 4.76 -1.26 -4.54 118.16 115.27 3k2p n LYS 431 Ca 0.02 -0.14 -0.17 0.00 -2.87 0.00 0.00 58.31 55.15 3k2p n LYS 431 Cb 0.47 -1.50 -0.11 0.00 -1.84 0.00 0.00 35.03 32.06 3k2p n LYS 431 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3k2p s GLU 432 N -2.84 1.02 0.23 1.97 0.41 -1.26 -5.09 118.70 113.13 3k2p s GLU 432 Ca 0.16 -1.28 -0.32 0.00 -0.41 0.00 0.00 54.97 53.12 3k2p s GLU 432 Cb 0.18 -0.82 -0.14 0.00 -1.78 0.00 0.00 34.13 31.58 3k2p s GLU 432 CO 0.63 0.15 1.42 -2.30 -0.49 0.00 0.00 175.26 174.66 3k2p n PRO 433 N 0.38 2.02 -2.30 0.39 -0.02 -1.26 -4.81 135.00 129.39 3k2p n PRO 433 Ca -0.14 0.72 -0.43 0.00 -2.02 0.00 0.00 63.50 61.63 3k2p n PRO 433 Cb 0.58 -2.39 -0.02 0.00 -0.02 0.00 0.00 33.50 31.65 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 0.05 3.91 0.10 4.25 1.01 -1.26 -4.98 121.20 124.28 3k2p s ILE 434 Ca 0.70 0.97 -0.33 0.00 0.00 0.00 0.00 60.65 61.99 3k2p s ILE 434 Cb -0.66 -4.06 -0.12 0.00 0.01 0.00 0.00 42.46 37.62 3k2p s ILE 434 CO 0.48 -0.57 1.74 0.52 0.00 0.00 0.00 174.94 177.11 3k2p n VAL 435 N 6.74 0.24 0.00 2.92 0.31 -1.26 -1.39 118.33 125.88 3k2p n VAL 435 Ca 0.17 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.46 3k2p n VAL 435 Cb 0.47 -1.84 0.00 0.00 -0.91 0.00 0.00 33.84 31.56 3k2p n VAL 435 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3k2p n GLY 436 N 3.93 2.95 3.78 2.92 0.00 -1.26 -5.06 105.19 112.46 3k2p n GLY 436 Ca 0.18 -0.01 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.68 2.93 0.39 4.61 0.00 -0.49 -5.03 121.76 121.50 3k2p s ALA 437 Ca 0.00 0.76 -0.23 0.00 0.00 0.00 0.00 51.96 52.48 3k2p s ALA 437 Cb 0.00 -3.31 -0.10 0.00 0.00 0.00 0.00 23.12 19.71 3k2p s ALA 437 CO 0.00 -0.46 0.98 -2.00 0.00 0.00 0.00 175.76 174.29 3k2p s GLU 438 N -2.90 4.29 -0.28 0.00 2.12 -1.26 -4.77 118.70 115.90 3k2p s GLU 438 Ca 0.65 1.31 -0.09 0.00 0.36 0.00 0.00 54.97 57.20 3k2p s GLU 438 Cb -0.22 -2.47 -0.02 0.00 0.26 0.00 0.00 34.13 31.68 3k2p s GLU 438 CO 0.27 0.01 0.12 0.99 -0.54 0.00 0.00 175.26 176.11 3k2p s THR 439 N -1.84 4.50 -0.27 -1.70 2.01 -1.26 -2.15 115.64 114.93 3k2p s THR 439 Ca 0.57 -0.31 -0.09 0.00 0.31 0.00 0.00 61.69 62.18 3k2p s THR 439 Cb -0.16 -3.22 -0.03 0.00 0.01 0.00 0.00 72.50 69.10 3k2p s THR 439 CO 0.21 0.18 0.11 -0.36 -0.69 0.00 0.00 174.62 174.07 3k2p s PHE 440 N 1.62 3.13 -0.34 4.92 0.40 0.22 -2.80 117.98 125.14 3k2p s PHE 440 Ca 0.05 -0.37 -0.18 0.00 -0.60 0.00 0.00 56.93 55.83 3k2p s PHE 440 Cb -0.16 -2.29 -0.01 0.00 0.51 0.00 0.00 43.02 41.07 3k2p s PHE 440 CO 0.05 -0.35 0.50 0.71 0.70 0.00 0.00 175.22 176.84 3k2p s TYR 441 N 1.64 3.19 0.13 0.36 1.51 0.90 -0.95 117.35 124.14 3k2p s TYR 441 Ca 0.06 0.22 0.04 0.00 -1.01 0.00 0.00 57.07 56.37 3k2p s TYR 441 Cb -0.16 -2.89 -0.04 0.00 -0.11 0.00 0.00 41.96 38.77 3k2p s TYR 441 CO 0.06 -0.50 0.16 0.14 -1.11 0.00 0.00 175.55 174.30 3k2p s VAL 442 N 2.36 4.75 0.09 0.71 -7.23 -0.32 -1.27 120.40 119.49 3k2p s VAL 442 Ca 0.18 -0.87 -0.25 0.00 -1.81 0.00 0.00 61.98 59.23 3k2p s VAL 442 Cb -0.15 -3.40 0.07 0.00 0.56 0.00 0.00 36.38 33.46 3k2p s VAL 442 CO 0.13 -0.04 0.63 -0.62 -0.31 0.00 0.00 175.10 174.89 3k2p s ASP 443 N -2.94 -0.59 0.27 4.85 2.15 -0.79 -4.45 116.67 115.17 3k2p s ASP 443 Ca 0.32 0.22 0.04 0.00 0.43 0.00 0.00 52.55 53.55 3k2p s ASP 443 Cb -0.11 0.58 -0.06 0.00 -0.30 0.00 0.00 42.92 43.03 3k2p s ASP 443 CO 0.25 -0.86 0.03 -0.83 -0.17 0.00 0.00 175.17 173.59 3k2p s GLY 444 N -2.27 1.76 -0.18 2.66 0.00 -1.26 -1.37 107.32 106.67 3k2p s GLY 444 Ca -0.03 -1.88 -0.11 0.00 0.00 0.00 0.00 44.72 42.70 3k2p s GLY 444 CO -0.06 -1.72 0.45 0.00 0.00 0.00 0.00 173.10 171.77 3k2p s ALA 445 N -3.40 -1.15 0.10 3.20 0.00 -0.74 -4.89 121.76 114.88 3k2p s ALA 445 Ca 0.32 1.59 0.07 0.00 0.00 0.00 0.00 51.96 53.94 3k2p s ALA 445 Cb 0.07 -0.95 -0.03 0.00 0.00 0.00 0.00 23.12 22.20 3k2p s ALA 445 CO 0.12 -0.27 -0.18 0.00 0.00 0.00 0.00 175.76 175.43 3k2p s ALA 446 N 1.24 1.62 -0.36 0.00 0.00 -1.26 -1.31 121.76 121.68 3k2p s ALA 446 Ca -0.08 -1.21 -0.18 0.00 0.00 0.00 0.00 51.96 50.49 3k2p s ALA 446 Cb -0.07 -0.18 -0.00 0.00 0.00 0.00 0.00 23.12 22.87 3k2p s ALA 446 CO -0.11 0.26 0.52 1.21 0.00 0.00 0.00 175.76 177.64 3k2p s ASN 447 N -2.01 6.31 0.16 0.00 3.84 0.19 -4.80 114.94 118.63 3k2p s ASN 447 Ca 0.05 -0.08 -0.22 0.00 0.21 0.00 0.00 52.86 52.83 3k2p s ASN 447 Cb -0.09 -2.27 0.05 0.00 -0.55 0.00 0.00 41.25 38.39 3k2p s ASN 447 CO 0.04 -0.51 1.62 0.03 -2.79 0.00 0.00 177.10 175.49 3k2p h ARG 448 N 8.50 -0.22 0.05 0.43 3.08 -1.92 0.98 114.38 125.27 3k2p h ARG 448 Ca -0.28 0.01 -0.00 0.00 0.07 0.00 0.00 59.98 59.79 3k2p h ARG 448 Cb 1.12 0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.22 3k2p h ARG 448 CO 0.78 -0.14 -0.02 0.93 -1.07 0.00 0.00 179.97 180.45 3k2p h GLU 449 N -0.22 -0.06 0.00 0.04 4.39 -1.98 -3.32 114.58 113.43 3k2p h GLU 449 Ca 0.16 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.80 3k2p h GLU 449 Cb 0.47 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 3k2p h GLU 449 CO -0.44 0.35 -0.62 1.79 -1.16 0.00 0.00 179.01 178.92 3k2p h THR 450 N -0.48 0.37 -0.74 1.13 1.35 -1.96 -3.47 112.91 109.11 3k2p h THR 450 Ca -0.01 -1.58 -0.32 0.00 -0.55 0.00 0.00 66.41 63.95 3k2p h THR 450 Cb 0.43 2.04 -0.13 0.00 -1.73 0.00 0.00 68.15 68.77 3k2p h THR 450 CO 0.01 0.21 -0.29 0.29 -0.25 0.00 0.00 175.52 175.49 3k2p n LYS 451 N -3.02 -1.17 -3.38 4.72 5.02 0.34 -4.70 118.16 115.96 3k2p n LYS 451 Ca 0.00 1.04 -0.38 0.00 -2.02 0.00 0.00 58.31 56.95 3k2p n LYS 451 Cb 0.66 -5.24 -0.06 0.00 -0.02 0.00 0.00 35.03 30.37 3k2p n LYS 451 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3k2p s LEU 452 N -3.54 4.47 0.00 -0.35 1.43 -1.25 0.12 118.68 119.56 3k2p s LEU 452 Ca 0.00 1.07 -0.00 0.00 -1.03 0.00 0.00 54.13 54.17 3k2p s LEU 452 Cb 0.00 -2.73 0.00 0.00 0.03 0.00 0.00 46.19 43.49 3k2p s LEU 452 CO 0.00 0.26 0.36 0.61 0.23 0.00 0.00 176.35 177.81 3k2p n GLY 453 N 1.97 2.45 3.08 -3.19 0.00 0.30 0.54 105.19 110.35 3k2p n GLY 453 Ca -0.11 -1.60 -0.09 0.00 0.00 0.00 0.00 46.02 44.21 3k2p n GLY 453 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k2p s LYS 454 N -2.68 0.59 0.10 1.61 1.02 -0.43 0.20 119.74 120.16 3k2p s LYS 454 Ca 0.24 -1.05 0.04 0.00 0.02 0.00 0.00 55.97 55.22 3k2p s LYS 454 Cb -0.00 -0.00 -0.03 0.00 -0.52 0.00 0.00 37.83 37.27 3k2p s LYS 454 CO 0.17 -0.05 -0.11 0.00 -0.92 0.00 0.00 175.35 174.44 3k2p s ALA 455 N -2.92 1.16 -0.02 5.17 0.00 -0.49 -1.79 121.76 122.87 3k2p s ALA 455 Ca 0.01 -1.17 -0.26 0.00 0.00 0.00 0.00 51.96 50.53 3k2p s ALA 455 Cb 0.01 -0.00 0.09 0.00 0.00 0.00 0.00 23.12 23.21 3k2p s ALA 455 CO -0.05 0.01 1.20 0.41 0.00 0.00 0.00 175.76 177.32 3k2p n GLY 456 N 0.66 0.24 3.26 0.00 0.00 -0.47 -0.32 105.19 108.56 3k2p n GLY 456 Ca -0.17 -1.03 -0.10 0.00 0.00 0.00 0.00 46.02 44.72 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 -2.09 -0.07 -0.00 1.61 -0.85 -0.07 -1.89 117.35 113.98 3k2p s TYR 457 Ca 0.28 -0.22 0.05 0.00 -0.52 0.00 0.00 57.07 56.66 3k2p s TYR 457 Cb -0.01 0.11 -0.01 0.00 0.38 0.00 0.00 41.96 42.43 3k2p s TYR 457 CO -0.01 -0.59 -0.17 0.08 -1.52 0.00 0.00 175.55 173.35 3k2p s VAL 458 N -3.41 1.31 0.35 -3.49 1.01 -0.40 -2.01 120.40 113.75 3k2p s VAL 458 Ca 0.01 -0.76 0.09 0.00 0.00 0.00 0.00 61.98 61.32 3k2p s VAL 458 Cb 0.02 -1.10 -0.06 0.00 0.00 0.00 0.00 36.38 35.24 3k2p s VAL 458 CO -0.09 0.33 -0.02 0.42 0.00 0.00 0.00 175.10 175.74 3k2p s THR 459 N -0.45 2.44 -1.59 3.92 -4.23 0.41 -0.07 115.64 116.07 3k2p s THR 459 Ca 0.06 -2.04 0.24 0.00 -1.18 0.00 0.00 61.69 58.77 3k2p s THR 459 Cb -0.07 -2.77 0.49 0.00 1.34 0.00 0.00 72.50 71.50 3k2p s THR 459 CO -0.00 -0.18 1.79 -0.46 -0.54 0.00 0.00 174.62 175.23 3k2p n ASN 460 N -0.91 0.00 -0.98 3.99 6.94 -1.12 -1.84 115.26 121.35 3k2p n ASN 460 Ca -0.04 -0.25 0.12 0.00 -0.02 0.00 0.00 54.58 54.39 3k2p n ASN 460 Cb 0.63 -0.21 0.21 0.00 -2.36 0.00 0.00 39.78 38.06 3k2p n ASN 460 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 3k2p n LYS 461 N -1.21 2.31 -1.00 -3.83 5.02 -1.26 -4.94 118.16 113.24 3k2p n LYS 461 Ca 0.13 -1.94 -0.00 0.00 -2.02 0.00 0.00 58.31 54.48 3k2p n LYS 461 Cb 0.16 -1.48 -0.00 0.00 -0.02 0.00 0.00 35.03 33.69 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 1.39 0.47 3.78 0.72 0.00 -0.76 -5.05 105.19 105.73 3k2p n GLY 462 Ca 0.17 -0.09 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.30 3.80 -0.01 1.61 3.52 -1.26 -4.86 118.95 121.45 3k2p s ARG 463 Ca 0.00 1.64 -0.26 0.00 -0.13 0.00 0.00 55.73 56.98 3k2p s ARG 463 Cb 0.00 -2.34 0.06 0.00 -1.56 0.00 0.00 34.95 31.11 3k2p s ARG 463 CO 0.00 -0.48 0.58 -0.65 -0.81 0.00 0.00 175.30 173.93 3k2p s GLN 464 N -2.80 1.00 -0.11 5.12 -0.21 -1.26 -0.45 119.66 120.96 3k2p s GLN 464 Ca 0.64 0.02 -0.09 0.00 0.02 0.00 0.00 55.36 55.95 3k2p s GLN 464 Cb -0.25 0.47 0.03 0.00 1.00 0.00 0.00 33.01 34.26 3k2p s GLN 464 CO 0.30 -0.33 0.28 0.21 -2.12 0.00 0.00 175.29 173.62 3k2p s LYS 465 N -1.68 0.31 -0.05 2.91 2.20 -0.85 -4.99 119.74 117.59 3k2p s LYS 465 Ca -0.09 0.41 0.02 0.00 -0.36 0.00 0.00 55.97 55.95 3k2p s LYS 465 Cb -0.01 0.12 0.01 0.00 -1.51 0.00 0.00 37.83 36.45 3k2p s LYS 465 CO 0.05 -0.05 -0.10 0.08 -0.36 0.00 0.00 175.35 174.96 3k2p s VAL 466 N 0.29 0.97 -0.02 4.02 1.01 -1.26 -0.90 120.40 124.52 3k2p s VAL 466 Ca -0.01 -0.40 0.06 0.00 0.00 0.00 0.00 61.98 61.62 3k2p s VAL 466 Cb -0.03 -0.90 -0.01 0.00 0.00 0.00 0.00 36.38 35.44 3k2p s VAL 466 CO -0.01 0.31 -0.19 -0.69 0.00 0.00 0.00 175.10 174.53 3k2p s VAL 467 N 0.60 1.48 0.11 2.92 1.01 0.56 -4.98 120.40 122.10 3k2p s VAL 467 Ca -0.12 -0.80 -0.25 0.00 0.00 0.00 0.00 61.98 60.82 3k2p s VAL 467 Cb -0.14 -1.24 -0.07 0.00 0.00 0.00 0.00 36.38 34.93 3k2p s VAL 467 CO 0.02 0.42 0.78 -2.16 0.00 0.00 0.00 175.10 174.16 3k2p s PRO 468 N -0.37 4.53 0.09 2.72 0.04 -1.26 -1.39 135.00 139.36 3k2p s PRO 468 Ca 0.06 1.12 0.08 0.00 0.04 0.00 0.00 61.00 62.29 3k2p s PRO 468 Cb -0.08 -3.31 -0.03 0.00 0.04 0.00 0.00 34.50 31.12 3k2p s PRO 468 CO -0.00 0.43 -0.20 -0.51 0.04 0.00 0.00 177.00 176.75 3k2p s LEU 469 N -0.60 2.28 -0.09 -3.56 1.43 0.54 -4.93 118.68 113.74 3k2p s LEU 469 Ca 0.37 -0.65 0.01 0.00 -1.03 0.00 0.00 54.13 52.83 3k2p s LEU 469 Cb -0.22 -0.86 -0.02 0.00 0.03 0.00 0.00 46.19 45.12 3k2p s LEU 469 CO 0.25 0.06 -0.12 -0.89 0.23 0.00 0.00 176.35 175.88 3k2p s THR 470 N -1.11 3.19 -0.77 5.49 2.01 -1.26 0.11 115.64 123.30 3k2p s THR 470 Ca 0.06 -0.65 -0.02 0.00 0.31 0.00 0.00 61.69 61.39 3k2p s THR 470 Cb -0.10 -2.30 -0.02 0.00 0.01 0.00 0.00 72.50 70.09 3k2p s THR 470 CO 0.04 0.56 0.70 -3.20 -0.69 0.00 0.00 174.62 172.03 3k2p n ASN 471 N 2.82 -6.79 -3.60 3.53 4.05 0.31 -4.96 115.26 110.62 3k2p n ASN 471 Ca -0.18 -0.29 -0.09 0.00 0.45 0.00 0.00 54.58 54.48 3k2p n ASN 471 Cb 0.52 -4.81 -0.02 0.00 1.23 0.00 0.00 39.78 36.70 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 -3.14 0.00 0.17 -0.44 -1.32 -0.91 -5.07 115.64 104.93 3k2p s THR 472 Ca 0.16 -1.21 0.01 0.00 -1.21 0.00 0.00 61.69 59.44 3k2p s THR 472 Cb -0.02 -2.36 -0.04 0.00 -1.51 0.00 0.00 72.50 68.56 3k2p s THR 472 CO 0.67 0.00 0.04 0.42 -2.21 0.00 0.00 174.62 173.53 3k2p s THR 473 N -3.45 0.46 0.43 5.08 -4.23 -1.26 -4.71 115.64 107.96 3k2p s THR 473 Ca 0.18 -1.96 0.14 0.00 -1.18 0.00 0.00 61.69 58.87 3k2p s THR 473 Cb -0.03 -2.18 0.33 0.00 1.34 0.00 0.00 72.50 71.95 3k2p s THR 473 CO 0.10 -0.39 1.98 0.78 -0.54 0.00 0.00 174.62 176.56 3k2p h ASN 474 N 2.70 0.36 0.06 3.99 4.21 -1.91 -0.71 115.58 124.29 3k2p h ASN 474 Ca -0.36 0.01 -0.24 0.00 1.21 0.00 0.00 56.30 56.92 3k2p h ASN 474 Cb 1.21 -0.07 0.01 0.00 -1.12 0.00 0.00 38.32 38.35 3k2p h ASN 474 CO 0.61 0.22 -0.90 1.56 -1.29 0.00 0.00 177.43 177.62 3k2p h GLN 475 N 0.41 0.63 -0.32 0.81 7.50 -1.98 -2.12 115.11 120.04 3k2p h GLN 475 Ca 0.28 -0.61 -0.08 0.00 0.50 0.00 0.00 58.65 58.74 3k2p h GLN 475 Cb 0.55 0.15 -0.02 0.00 0.05 0.00 0.00 27.48 28.22 3k2p h GLN 475 CO -0.08 1.22 -0.14 0.87 -1.50 0.00 0.00 178.83 179.20 3k2p h LYS 476 N 0.39 0.57 0.00 1.46 1.57 -1.86 -2.04 116.57 116.66 3k2p h LYS 476 Ca -0.08 -0.18 -0.08 0.00 -1.87 0.00 0.00 60.65 58.43 3k2p h LYS 476 Cb 1.54 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.78 3k2p h LYS 476 CO 0.17 0.70 -0.40 1.79 -0.57 0.00 0.00 179.45 181.13 3k2p h THR 477 N 0.52 1.05 0.18 -0.16 1.35 -0.85 0.62 112.91 115.62 3k2p h THR 477 Ca 0.09 -1.51 -0.31 0.00 -0.55 0.00 0.00 66.41 64.13 3k2p h THR 477 Cb 0.55 1.88 0.02 0.00 -1.73 0.00 0.00 68.15 68.87 3k2p h THR 477 CO 0.04 0.40 -1.38 -0.33 -0.25 0.00 0.00 175.52 173.99 3k2p h GLU 478 N 0.00 0.39 -0.33 4.72 4.39 -0.96 -2.25 114.58 120.54 3k2p h GLU 478 Ca -0.00 -0.67 -0.16 0.00 0.34 0.00 0.00 59.36 58.87 3k2p h GLU 478 Cb 0.84 0.25 -0.00 0.00 -0.10 0.00 0.00 28.75 29.74 3k2p h GLU 478 CO 0.05 1.31 -0.42 -0.07 -1.16 0.00 0.00 179.01 178.73 3k2p h LEU 479 N 0.11 0.94 -0.49 1.33 -0.00 -1.31 -2.54 115.31 113.35 3k2p h LEU 479 Ca -0.20 -0.49 0.06 0.00 -0.00 0.00 0.00 57.88 57.25 3k2p h LEU 479 Cb 2.07 -0.27 -0.05 0.00 -0.00 0.00 0.00 40.66 42.40 3k2p h LEU 479 CO 0.23 1.25 0.19 -0.61 -0.00 0.00 0.00 178.44 179.49 3k2p h GLN 480 N 0.66 0.36 -0.53 1.13 5.75 -0.89 -1.93 115.11 119.66 3k2p h GLN 480 Ca 0.04 -0.02 0.03 0.00 -0.15 0.00 0.00 58.65 58.55 3k2p h GLN 480 Cb 1.02 -0.08 -0.04 0.00 1.07 0.00 0.00 27.48 29.45 3k2p h GLN 480 CO 0.10 0.24 0.30 0.00 -2.65 0.00 0.00 178.83 176.82 3k2p h ALA 481 N 1.32 0.68 -0.45 3.38 0.00 -1.36 -0.95 119.26 121.88 3k2p h ALA 481 Ca 0.23 0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.17 3k2p h ALA 481 Cb 0.23 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3k2p h ALA 481 CO -0.23 -0.01 0.26 0.82 0.00 0.00 0.00 179.25 180.09 3k2p h ILE 482 N 0.59 1.03 -0.88 0.00 2.04 -1.29 -1.31 117.51 117.69 3k2p h ILE 482 Ca 0.22 -0.18 0.05 0.00 1.00 0.00 0.00 64.86 65.96 3k2p h ILE 482 Cb 0.07 0.47 -0.05 0.00 -0.74 0.00 0.00 36.82 36.57 3k2p h ILE 482 CO -0.12 0.09 0.57 0.22 0.00 0.00 0.00 178.15 178.92 3k2p h TYR 483 N 0.52 1.03 -0.38 1.37 3.20 -0.84 -0.81 116.97 121.07 3k2p h TYR 483 Ca 0.18 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 62.03 3k2p h TYR 483 Cb 0.03 -0.34 -0.01 0.00 1.54 0.00 0.00 36.73 37.95 3k2p h TYR 483 CO -0.08 0.57 0.03 -0.07 -1.64 0.00 0.00 178.16 176.98 3k2p h LEU 484 N 1.04 0.62 -0.89 2.82 4.07 -0.77 0.10 115.31 122.30 3k2p h LEU 484 Ca 0.36 -0.28 -0.03 0.00 0.08 0.00 0.00 57.88 58.01 3k2p h LEU 484 Cb 0.12 -0.17 -0.04 0.00 1.08 0.00 0.00 40.66 41.65 3k2p h LEU 484 CO -0.12 0.75 0.37 0.00 -1.08 0.00 0.00 178.44 178.36 3k2p h ALA 485 N 0.89 1.13 -0.26 1.53 0.00 -0.84 -1.79 119.26 119.93 3k2p h ALA 485 Ca 0.11 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 3k2p h ALA 485 Cb 0.41 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3k2p h ALA 485 CO 0.01 0.65 -0.31 -0.07 0.00 0.00 0.00 179.25 179.53 3k2p h LEU 486 N 1.15 0.72 -0.54 0.00 3.38 -0.88 -2.50 115.31 116.64 3k2p h LEU 486 Ca 0.27 -0.49 0.11 0.00 0.09 0.00 0.00 57.88 57.86 3k2p h LEU 486 Cb 0.14 -0.21 -0.09 0.00 0.09 0.00 0.00 40.66 40.59 3k2p h LEU 486 CO -0.03 1.07 -0.04 1.56 0.09 0.00 0.00 178.44 181.09 3k2p h GLN 487 N 0.39 0.07 -0.65 1.13 4.20 -0.70 -2.77 115.11 116.78 3k2p h GLN 487 Ca 0.03 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.74 3k2p h GLN 487 Cb 0.89 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.66 3k2p h GLN 487 CO 0.08 0.05 0.00 -0.25 -0.67 0.00 0.00 178.83 178.03 3k2p n ASP 488 N -5.30 4.07 0.00 1.46 9.92 -0.68 -4.80 116.55 121.22 3k2p n ASP 488 Ca 0.06 -2.25 0.00 0.00 -0.53 0.00 0.00 54.79 52.07 3k2p n ASP 488 Cb 0.30 -0.51 0.00 0.00 -0.64 0.00 0.00 41.12 40.27 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 1.17 0.00 0.00 -2.24 3.41 -0.95 -5.05 113.62 109.97 3k2p n SER 489 Ca 0.23 0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.86 3k2p n SER 489 Cb 0.72 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.64 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 2.45 3.53 0.22 5.00 0.00 -1.26 -5.00 105.19 110.12 3k2p n GLY 490 Ca 0.00 -1.40 0.12 0.00 0.00 0.00 0.00 46.02 44.74 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 -8.96 0.99 3.38 -1.95 -3.42 115.31 105.35 3k2p h LEU 491 Ca 0.00 0.00 -0.69 0.00 0.09 0.00 0.00 57.88 57.28 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 0.12 -0.77 -1.61 0.09 0.00 0.00 178.44 176.27 3k2p s GLU 492 N -3.38 2.43 -0.23 1.13 2.02 -1.26 -0.77 118.70 118.64 3k2p s GLU 492 Ca 0.04 -0.75 -0.19 0.00 0.02 0.00 0.00 54.97 54.09 3k2p s GLU 492 Cb 0.07 -2.36 0.06 0.00 0.10 0.00 0.00 34.13 32.01 3k2p s GLU 492 CO 0.64 0.61 0.60 0.54 0.02 0.00 0.00 175.26 177.67 3k2p s VAL 493 N -0.80 -0.00 -0.25 2.63 0.11 -0.52 -4.31 120.40 117.26 3k2p s VAL 493 Ca 0.13 0.01 -0.09 0.00 -2.93 0.00 0.00 61.98 59.10 3k2p s VAL 493 Cb -0.11 -0.85 -0.04 0.00 -1.53 0.00 0.00 36.38 33.85 3k2p s VAL 493 CO 0.02 0.00 0.12 0.20 -3.33 0.00 0.00 175.10 172.11 3k2p s ASN 494 N 0.72 5.53 -0.14 3.54 0.01 -0.91 -1.15 114.94 122.53 3k2p s ASN 494 Ca -0.03 -0.10 0.01 0.00 -0.71 0.00 0.00 52.86 52.03 3k2p s ASN 494 Cb -0.05 -2.00 -0.01 0.00 0.41 0.00 0.00 41.25 39.60 3k2p s ASN 494 CO -0.05 -0.02 -0.16 -0.63 -1.51 0.00 0.00 177.10 174.73 3k2p s ILE 495 N 1.53 2.69 -0.28 0.60 1.01 0.16 0.73 121.20 127.65 3k2p s ILE 495 Ca 0.06 -0.77 -0.06 0.00 0.00 0.00 0.00 60.65 59.88 3k2p s ILE 495 Cb -0.15 -2.12 0.00 0.00 0.01 0.00 0.00 42.46 40.20 3k2p s ILE 495 CO 0.06 0.52 0.06 0.54 0.00 0.00 0.00 174.94 176.12 3k2p s VAL 496 N 0.62 3.90 0.26 2.92 0.11 -0.12 -0.19 120.40 127.90 3k2p s VAL 496 Ca -0.09 -0.61 0.08 0.00 -2.93 0.00 0.00 61.98 58.43 3k2p s VAL 496 Cb -0.16 -2.96 -0.04 0.00 -1.53 0.00 0.00 36.38 31.70 3k2p s VAL 496 CO 0.03 0.16 0.12 -0.89 -3.33 0.00 0.00 175.10 171.18 3k2p s THR 497 N 1.51 3.99 -1.08 5.04 2.01 -0.62 -1.18 115.64 125.32 3k2p s THR 497 Ca 0.03 -1.62 0.13 0.00 0.31 0.00 0.00 61.69 60.54 3k2p s THR 497 Cb -0.17 -3.16 0.36 0.00 0.01 0.00 0.00 72.50 69.54 3k2p s THR 497 CO 0.02 -0.35 1.30 -0.90 -0.69 0.00 0.00 174.62 174.00 3k2p n ASP 498 N -1.07 3.11 -4.47 3.53 5.68 -1.26 -1.50 116.55 120.57 3k2p n ASP 498 Ca -0.07 -2.01 -0.43 0.00 -0.50 0.00 0.00 54.79 51.77 3k2p n ASP 498 Cb 0.58 -0.28 -0.06 0.00 -1.14 0.00 0.00 41.12 40.23 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 -1.01 6.26 0.39 -1.12 0.15 -1.26 -4.59 113.70 112.51 3k2p s SER 499 Ca 0.27 -0.71 0.06 0.00 0.70 0.00 0.00 55.95 56.28 3k2p s SER 499 Cb 0.14 -2.31 0.79 0.00 -1.71 0.00 0.00 66.02 62.93 3k2p s SER 499 CO 0.18 -0.91 2.00 1.56 1.20 0.00 0.00 173.24 177.28 3k2p h GLN 500 N 9.01 0.53 0.06 5.44 1.08 -1.95 -0.78 115.11 128.49 3k2p h GLN 500 Ca -0.27 -0.05 -0.00 0.00 -1.45 0.00 0.00 58.65 56.87 3k2p h GLN 500 Cb 1.09 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 28.42 3k2p h GLN 500 CO 0.96 0.41 -0.03 -0.92 -0.95 0.00 0.00 178.83 178.30 3k2p h TYR 501 N 0.53 -0.08 -0.23 2.96 5.03 -2.00 -1.13 116.97 122.05 3k2p h TYR 501 Ca 0.14 -0.00 -0.15 0.00 2.58 0.00 0.00 58.73 61.29 3k2p h TYR 501 Cb 0.06 0.02 -0.01 0.00 1.55 0.00 0.00 36.73 38.36 3k2p h TYR 501 CO 0.00 0.22 -0.47 0.00 -1.32 0.00 0.00 178.16 176.60 3k2p h ALA 502 N 0.54 0.75 -0.48 1.82 0.00 -1.90 -2.64 119.26 117.35 3k2p h ALA 502 Ca -0.01 -0.47 0.07 0.00 0.00 0.00 0.00 54.91 54.50 3k2p h ALA 502 Cb 0.33 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.97 3k2p h ALA 502 CO 0.01 0.67 0.15 1.25 0.00 0.00 0.00 179.25 181.33 3k2p h LEU 503 N 0.49 0.13 -0.35 0.00 5.85 -1.02 -1.79 115.31 118.61 3k2p h LEU 503 Ca 0.03 0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.83 3k2p h LEU 503 Cb 1.00 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 42.07 3k2p h LEU 503 CO 0.09 0.10 0.19 1.23 -0.34 0.00 0.00 178.44 179.71 3k2p h GLY 504 N 0.31 0.47 0.98 3.75 0.00 -1.07 0.13 103.07 107.64 3k2p h GLY 504 Ca 0.23 -0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.41 3k2p h GLY 504 CO -0.25 0.11 0.25 -2.22 0.00 0.00 0.00 176.54 174.44 3k2p h ILE 505 N 0.39 1.17 0.16 2.60 2.04 -1.13 -1.38 117.51 121.34 3k2p h ILE 505 Ca 0.14 -0.44 -0.30 0.00 1.00 0.00 0.00 64.86 65.26 3k2p h ILE 505 Cb 0.03 0.60 0.03 0.00 -0.74 0.00 0.00 36.82 36.74 3k2p h ILE 505 CO -0.08 0.18 -1.28 0.40 0.00 0.00 0.00 178.15 177.37 3k2p h ILE 506 N 0.62 1.29 0.00 -0.67 2.04 -1.12 -3.09 117.51 116.59 3k2p h ILE 506 Ca 0.17 -2.51 0.00 0.00 1.00 0.00 0.00 64.86 63.51 3k2p h ILE 506 Cb 0.06 2.81 0.00 0.00 -0.74 0.00 0.00 36.82 38.95 3k2p h ILE 506 CO -0.03 0.76 0.00 1.56 0.00 0.00 0.00 178.15 180.44 3k2p h GLN 507 N 0.21 0.00 0.00 2.37 4.20 -0.69 -2.28 115.11 118.92 3k2p h GLN 507 Ca -0.20 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.51 3k2p h GLN 507 Cb 1.96 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.74 3k2p h GLN 507 CO 0.24 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.40 3k2p n ALA 508 N -2.01 1.87 -3.81 3.87 0.00 -0.53 -4.95 120.51 114.95 3k2p n ALA 508 Ca -0.00 0.02 -0.32 0.00 0.00 0.00 0.00 53.44 53.13 3k2p n ALA 508 Cb 0.20 -1.39 0.02 0.00 0.00 0.00 0.00 19.45 18.28 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 -2.05 -1.00 -2.40 0.00 6.02 -0.86 -4.92 117.38 112.17 3k2p n GLN 509 Ca 0.04 0.51 -0.34 0.00 -0.01 0.00 0.00 57.00 57.20 3k2p n GLN 509 Cb 0.28 -3.04 -0.02 0.00 1.02 0.00 0.00 30.24 28.48 3k2p n GLN 509 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 3k2p s PRO 510 N -5.88 3.65 0.05 -1.09 0.04 -1.26 -4.95 135.00 125.56 3k2p s PRO 510 Ca 0.28 1.33 -0.15 0.00 0.04 0.00 0.00 61.00 62.49 3k2p s PRO 510 Cb -0.13 -2.07 -0.29 0.00 0.04 0.00 0.00 34.50 32.05 3k2p s PRO 510 CO 0.90 -0.55 1.10 -0.44 0.04 0.00 0.00 177.00 178.05 3k2p h ASP 511 N 1.24 0.86 -5.10 6.66 5.19 -2.00 -3.48 116.42 119.80 3k2p h ASP 511 Ca -0.49 -0.82 -0.12 0.00 -0.62 0.00 0.00 57.03 54.98 3k2p h ASP 511 Cb 1.22 -0.27 -0.17 0.00 0.18 0.00 0.00 39.33 40.29 3k2p h ASP 511 CO 0.58 1.60 -0.50 -0.75 -3.12 0.00 0.00 179.24 177.05 3k2p s LYS 512 N -2.99 0.63 0.14 3.56 2.20 -1.26 -5.04 119.74 116.98 3k2p s LYS 512 Ca -0.10 -0.79 0.05 0.00 -0.36 0.00 0.00 55.97 54.78 3k2p s LYS 512 Cb 0.05 0.25 -0.04 0.00 -1.51 0.00 0.00 37.83 36.58 3k2p s LYS 512 CO 0.93 -0.16 -0.12 0.45 -0.36 0.00 0.00 175.35 176.08 3k2p s SER 513 N -2.25 1.90 0.40 1.43 0.15 -1.26 -5.04 113.70 109.03 3k2p s SER 513 Ca -0.03 -0.91 0.20 0.00 0.70 0.00 0.00 55.95 55.91 3k2p s SER 513 Cb 0.00 -0.04 0.76 0.00 -1.71 0.00 0.00 66.02 65.03 3k2p s SER 513 CO -0.05 -0.23 1.77 -0.33 1.20 0.00 0.00 173.24 175.59 3k2p h GLU 514 N 3.15 0.00 -5.85 5.44 4.39 -2.02 -3.45 114.58 116.24 3k2p h GLU 514 Ca -0.38 0.00 -0.58 0.00 0.34 0.00 0.00 59.36 58.74 3k2p h GLU 514 Cb 1.20 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 29.77 3k2p h GLU 514 CO 0.57 0.33 0.31 0.45 -1.16 0.00 0.00 179.01 179.51 3k2p s SER 515 N -6.38 6.87 0.23 1.42 0.15 -1.26 -4.96 113.70 109.77 3k2p s SER 515 Ca 0.00 1.07 -0.08 0.00 0.70 0.00 0.00 55.95 57.64 3k2p s SER 515 Cb 0.11 -2.42 0.25 0.00 -1.71 0.00 0.00 66.02 62.24 3k2p s SER 515 CO 0.67 -0.37 1.88 -0.08 1.20 0.00 0.00 173.24 176.55 3k2p h GLU 516 N 7.39 1.05 -0.29 5.44 4.81 -1.99 -1.21 114.58 129.77 3k2p h GLU 516 Ca -0.30 -0.06 0.05 0.00 -0.13 0.00 0.00 59.36 58.92 3k2p h GLU 516 Cb 1.13 -0.24 -0.05 0.00 0.63 0.00 0.00 28.75 30.23 3k2p h GLU 516 CO 0.82 0.69 -0.02 1.25 -0.73 0.00 0.00 179.01 181.02 3k2p h LEU 517 N 1.08 -0.15 -0.15 1.64 6.46 -1.98 0.79 115.31 122.99 3k2p h LEU 517 Ca 0.33 0.07 0.04 0.00 -0.12 0.00 0.00 57.88 58.21 3k2p h LEU 517 Cb -0.02 0.13 -0.04 0.00 -0.73 0.00 0.00 40.66 40.00 3k2p h LEU 517 CO -0.11 -0.04 -0.12 0.58 -0.62 0.00 0.00 178.44 178.13 3k2p h VAL 518 N 0.06 0.65 -0.52 1.05 2.07 -1.77 -1.17 116.25 116.62 3k2p h VAL 518 Ca 0.14 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.65 3k2p h VAL 518 Cb 0.19 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 3k2p h VAL 518 CO -0.25 0.00 0.30 0.78 0.02 0.00 0.00 177.57 178.42 3k2p h ASN 519 N -0.13 0.62 -0.70 0.57 2.35 -0.78 -0.80 115.58 116.71 3k2p h ASN 519 Ca 0.10 -0.04 -0.06 0.00 -0.55 0.00 0.00 56.30 55.75 3k2p h ASN 519 Cb 0.28 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.46 3k2p h ASN 519 CO -0.23 0.49 0.20 1.56 -1.65 0.00 0.00 177.43 177.80 3k2p h GLN 520 N 0.72 1.11 -0.51 0.81 4.20 -0.39 -2.07 115.11 118.98 3k2p h GLN 520 Ca 0.19 -0.25 -0.09 0.00 0.06 0.00 0.00 58.65 58.56 3k2p h GLN 520 Cb -0.01 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.60 3k2p h GLN 520 CO -0.03 0.96 -0.05 0.82 -0.67 0.00 0.00 178.83 179.85 3k2p h ILE 521 N 1.06 1.26 0.64 2.54 2.04 -0.03 -1.86 117.51 123.16 3k2p h ILE 521 Ca 0.23 -1.15 -0.03 0.00 1.00 0.00 0.00 64.86 64.91 3k2p h ILE 521 Cb 0.33 0.92 0.01 0.00 -0.74 0.00 0.00 36.82 37.33 3k2p h ILE 521 CO -0.00 0.40 -0.31 0.40 0.00 0.00 0.00 178.15 178.64 3k2p h ILE 522 N 0.83 0.36 -0.66 -0.67 2.04 -0.86 -0.56 117.51 117.99 3k2p h ILE 522 Ca 0.15 -0.06 0.11 0.00 1.00 0.00 0.00 64.86 66.06 3k2p h ILE 522 Cb 0.56 0.38 -0.12 0.00 -0.74 0.00 0.00 36.82 36.90 3k2p h ILE 522 CO 0.03 0.01 -0.38 -0.08 0.00 0.00 0.00 178.15 177.73 3k2p h GLU 523 N -0.90 -0.15 -0.66 2.37 4.81 -1.43 0.35 114.58 118.98 3k2p h GLU 523 Ca -0.09 0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.27 3k2p h GLU 523 Cb 0.67 0.03 -0.08 0.00 0.63 0.00 0.00 28.75 30.00 3k2p h GLU 523 CO 0.14 -0.10 0.23 1.96 -0.73 0.00 0.00 179.01 180.51 3k2p h GLN 524 N -0.15 0.37 -0.32 1.92 1.08 -1.18 -1.94 115.11 114.89 3k2p h GLN 524 Ca 0.23 -0.02 -0.09 0.00 -1.45 0.00 0.00 58.65 57.32 3k2p h GLN 524 Cb 0.56 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.89 3k2p h GLN 524 CO -0.74 0.25 -0.17 -0.07 -0.95 0.00 0.00 178.83 177.15 3k2p h LEU 525 N 0.38 0.57 -0.47 1.46 3.38 0.18 -2.61 115.31 118.21 3k2p h LEU 525 Ca 0.34 -0.17 -0.16 0.00 0.09 0.00 0.00 57.88 57.98 3k2p h LEU 525 Cb 0.48 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 3k2p h LEU 525 CO -0.36 0.76 -0.49 0.40 0.09 0.00 0.00 178.44 178.83 3k2p h ILE 526 N 0.52 1.30 0.00 1.22 2.04 -0.62 -3.02 117.51 118.95 3k2p h ILE 526 Ca 0.09 -1.70 0.00 0.00 1.00 0.00 0.00 64.86 64.25 3k2p h ILE 526 Cb 0.60 1.62 0.00 0.00 -0.74 0.00 0.00 36.82 38.30 3k2p h ILE 526 CO 0.04 0.54 0.00 0.11 0.00 0.00 0.00 178.15 178.84 3k2p h LYS 527 N 0.56 0.00 -7.13 2.37 1.57 -1.02 -3.44 116.57 109.48 3k2p h LYS 527 Ca 0.03 0.00 -0.47 0.00 -1.87 0.00 0.00 60.65 58.33 3k2p h LYS 527 Cb 1.06 0.00 0.03 0.00 0.08 0.00 0.00 32.23 33.40 3k2p h LYS 527 CO 0.10 0.00 0.38 0.15 -0.57 0.00 0.00 179.45 179.51 3k2p s LYS 528 N -3.33 3.71 -0.15 3.15 -0.14 -1.01 -5.02 119.74 116.95 3k2p s LYS 528 Ca 0.05 1.23 -0.27 0.00 -1.36 0.00 0.00 55.97 55.62 3k2p s LYS 528 Cb 0.09 -2.09 -0.24 0.00 -1.68 0.00 0.00 37.83 33.92 3k2p s LYS 528 CO 0.50 -0.49 0.65 0.93 -0.76 0.00 0.00 175.35 176.18 3k2p h GLU 529 N 1.14 0.00 -3.46 1.68 5.08 -1.25 -3.47 114.58 114.31 3k2p h GLU 529 Ca -0.48 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 57.53 3k2p h GLU 529 Cb 1.21 0.00 -0.37 0.00 0.50 0.00 0.00 28.75 30.09 3k2p h GLU 529 CO 0.59 0.96 -0.74 0.15 -1.00 0.00 0.00 179.01 178.97 3k2p s LYS 530 N -2.22 0.03 -0.13 2.33 1.02 -0.80 -5.01 119.74 114.97 3k2p s LYS 530 Ca -0.20 0.26 0.02 0.00 0.02 0.00 0.00 55.97 56.07 3k2p s LYS 530 Cb -0.01 -0.46 0.01 0.00 -0.52 0.00 0.00 37.83 36.85 3k2p s LYS 530 CO 0.65 -0.25 -0.19 0.54 -0.92 0.00 0.00 175.35 175.17 3k2p s VAL 531 N 1.66 1.85 -0.18 3.17 0.11 -1.26 -1.43 120.40 124.33 3k2p s VAL 531 Ca -0.01 -0.86 -0.04 0.00 -2.93 0.00 0.00 61.98 58.14 3k2p s VAL 531 Cb -0.13 -1.66 -0.02 0.00 -1.53 0.00 0.00 36.38 33.05 3k2p s VAL 531 CO -0.03 0.51 -0.03 -0.47 -3.33 0.00 0.00 175.10 171.75 3k2p s TYR 532 N 0.88 3.00 -0.19 1.54 5.04 -0.30 -0.86 117.35 126.46 3k2p s TYR 532 Ca -0.07 -0.46 -0.01 0.00 -2.44 0.00 0.00 57.07 54.10 3k2p s TYR 532 Cb -0.15 -2.01 0.01 0.00 0.35 0.00 0.00 41.96 40.16 3k2p s TYR 532 CO -0.02 -0.18 -0.13 -1.17 -1.34 0.00 0.00 175.55 172.71 3k2p s LEU 533 N 0.70 2.47 0.16 6.97 2.96 -1.26 0.40 118.68 131.09 3k2p s LEU 533 Ca -0.02 -0.52 0.10 0.00 -0.22 0.00 0.00 54.13 53.47 3k2p s LEU 533 Cb -0.14 -1.59 -0.04 0.00 0.50 0.00 0.00 46.19 44.91 3k2p s LEU 533 CO 0.02 0.01 -0.19 0.00 -1.32 0.00 0.00 176.35 174.87 3k2p s ALA 534 N 1.27 2.67 0.03 5.97 0.00 0.73 -4.99 121.76 127.44 3k2p s ALA 534 Ca 0.03 -1.50 0.05 0.00 0.00 0.00 0.00 51.96 50.55 3k2p s ALA 534 Cb -0.14 -0.53 -0.03 0.00 0.00 0.00 0.00 23.12 22.41 3k2p s ALA 534 CO -0.07 0.50 -0.12 -0.46 0.00 0.00 0.00 175.76 175.61 3k2p s TRP 535 N -1.47 2.73 0.02 0.00 -0.00 -1.26 -1.59 118.94 117.38 3k2p s TRP 535 Ca 0.20 -0.14 0.01 0.00 -0.00 0.00 0.00 56.10 56.17 3k2p s TRP 535 Cb -0.09 -1.53 -0.02 0.00 -0.00 0.00 0.00 33.47 31.83 3k2p s TRP 535 CO 0.11 0.32 -0.05 0.54 -0.00 0.00 0.00 176.95 177.87 3k2p s VAL 536 N -0.98 0.32 0.31 5.86 0.11 -0.56 -4.96 120.40 120.50 3k2p s VAL 536 Ca 0.16 -0.75 -0.28 0.00 -2.93 0.00 0.00 61.98 58.19 3k2p s VAL 536 Cb -0.11 -0.38 -0.09 0.00 -1.53 0.00 0.00 36.38 34.26 3k2p s VAL 536 CO 0.07 -0.29 1.05 -2.16 -3.33 0.00 0.00 175.10 170.45 3k2p s PRO 537 N -1.10 4.54 0.35 1.54 0.04 -1.26 -4.04 135.00 135.07 3k2p s PRO 537 Ca -0.09 1.65 -0.29 0.00 0.04 0.00 0.00 61.00 62.32 3k2p s PRO 537 Cb -0.07 -3.00 -0.11 0.00 0.04 0.00 0.00 34.50 31.35 3k2p s PRO 537 CO -0.00 0.17 1.54 0.00 0.04 0.00 0.00 177.00 178.74 3k2p n ALA 538 N 0.86 2.51 -3.38 8.56 0.00 -1.26 -3.88 120.51 123.91 3k2p n ALA 538 Ca 0.01 0.35 -0.19 0.00 0.00 0.00 0.00 53.44 53.61 3k2p n ALA 538 Cb 0.47 -2.45 0.07 0.00 0.00 0.00 0.00 19.45 17.54 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 1.04 -2.32 -1.46 0.00 8.25 -1.26 -4.90 115.22 114.57 3k2p n HIS 539 Ca 0.04 0.84 0.06 0.00 -0.26 0.00 0.00 57.72 58.39 3k2p n HIS 539 Cb 0.38 -4.40 0.09 0.00 1.12 0.00 0.00 29.99 27.18 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 -4.16 0.79 -0.91 -0.41 4.76 -1.25 -5.02 118.16 111.96 3k2p n LYS 540 Ca -0.03 -2.00 0.00 0.00 -2.87 0.00 0.00 58.31 53.41 3k2p n LYS 540 Cb 0.56 -1.10 0.00 0.00 -1.84 0.00 0.00 35.03 32.65 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 -0.85 0.46 3.61 0.72 0.00 -1.26 -5.00 105.19 102.86 3k2p n GLY 541 Ca 0.10 -0.83 -0.43 0.00 0.00 0.00 0.00 46.02 44.86 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 -2.00 4.15 0.21 -0.61 1.09 -1.26 -4.91 121.20 117.87 3k2p s ILE 542 Ca 0.00 1.23 -0.09 0.00 -1.10 0.00 0.00 60.65 60.69 3k2p s ILE 542 Cb 0.00 -4.36 0.15 0.00 -1.06 0.00 0.00 42.46 37.19 3k2p s ILE 542 CO 0.00 -0.74 1.76 1.23 -0.10 0.00 0.00 174.94 177.09 3k2p h GLY 543 N 11.25 0.92 1.19 6.18 0.00 -1.98 0.12 103.07 120.75 3k2p h GLY 543 Ca -0.25 -0.16 -0.20 0.00 0.00 0.00 0.00 47.33 46.72 3k2p h GLY 543 CO 1.08 0.02 -0.67 -1.33 0.00 0.00 0.00 176.54 175.64 3k2p h GLY 544 N 0.49 0.90 0.97 4.60 0.00 -1.99 0.73 103.07 108.78 3k2p h GLY 544 Ca 0.32 -1.16 -0.00 0.00 0.00 0.00 0.00 47.33 46.48 3k2p h GLY 544 CO -0.28 1.04 0.18 -0.57 0.00 0.00 0.00 176.54 176.91 3k2p h ASN 545 N 0.60 0.37 -0.68 0.19 -1.24 -1.61 -2.35 115.58 110.86 3k2p h ASN 545 Ca -0.02 -0.06 -0.05 0.00 0.71 0.00 0.00 56.30 56.88 3k2p h ASN 545 Cb 1.29 -0.09 -0.03 0.00 0.73 0.00 0.00 38.32 40.21 3k2p h ASN 545 CO 0.14 0.33 0.24 -0.08 -1.29 0.00 0.00 177.43 176.77 3k2p h GLU 546 N 0.39 1.03 -0.02 6.67 4.57 -0.68 -0.11 114.58 126.43 3k2p h GLU 546 Ca 0.11 -0.20 0.03 0.00 -1.18 0.00 0.00 59.36 58.11 3k2p h GLU 546 Cb 0.03 -0.16 -0.04 0.00 -0.16 0.00 0.00 28.75 28.42 3k2p h GLU 546 CO -0.02 0.88 -0.18 0.37 -1.18 0.00 0.00 179.01 178.88 3k2p h GLN 547 N 0.98 -0.27 -0.01 1.92 4.15 -0.74 -2.51 115.11 118.63 3k2p h GLN 547 Ca 0.22 0.02 -0.13 0.00 0.77 0.00 0.00 58.65 59.53 3k2p h GLN 547 Cb 0.25 0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.98 3k2p h GLN 547 CO -0.01 -0.18 -0.60 -0.24 -1.93 0.00 0.00 178.83 175.87 3k2p h VAL 548 N -0.28 1.42 0.06 2.39 3.04 -1.25 -2.96 116.25 118.67 3k2p h VAL 548 Ca 0.06 -2.04 -0.00 0.00 -1.01 0.00 0.00 66.70 63.71 3k2p h VAL 548 Cb 0.36 2.09 -0.00 0.00 -2.01 0.00 0.00 31.29 31.73 3k2p h VAL 548 CO -0.18 0.59 -0.04 -0.78 -1.01 0.00 0.00 177.57 176.15 3k2p h ASP 549 N 0.03 -0.09 -0.77 3.17 1.82 -0.83 -1.71 116.42 118.04 3k2p h ASP 549 Ca -0.01 0.01 0.17 0.00 -0.39 0.00 0.00 57.03 56.81 3k2p h ASP 549 Cb 1.07 0.03 -0.14 0.00 0.68 0.00 0.00 39.33 40.97 3k2p h ASP 549 CO 0.08 -0.06 -0.08 0.11 -1.61 0.00 0.00 179.24 177.68 3k2p h LYS 550 N -0.10 0.05 -0.27 0.28 1.57 -1.31 -1.42 116.57 115.37 3k2p h LYS 550 Ca -0.00 -0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.65 3k2p h LYS 550 Cb 0.08 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 3k2p h LYS 550 CO 0.01 0.03 -0.31 -0.07 -0.57 0.00 0.00 179.45 178.54 3k2p h LEU 551 N 0.05 0.74 -0.26 2.94 3.38 -1.31 -2.38 115.31 118.47 3k2p h LEU 551 Ca 0.40 -0.48 -0.08 0.00 0.09 0.00 0.00 57.88 57.80 3k2p h LEU 551 Cb 0.67 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 3k2p h LEU 551 CO -0.73 1.08 -0.40 1.62 0.09 0.00 0.00 178.44 180.10 3k2p h VAL 552 N 0.42 0.74 0.00 1.22 3.04 -1.06 -3.31 116.25 117.30 3k2p h VAL 552 Ca 0.04 -1.88 -0.14 0.00 -1.01 0.00 0.00 66.70 63.71 3k2p h VAL 552 Cb 0.88 2.24 -0.03 0.00 -2.01 0.00 0.00 31.29 32.37 3k2p h VAL 552 CO 0.07 0.39 -1.70 -1.54 -1.01 0.00 0.00 177.57 173.79 3k2p n SER 553 N -3.26 0.48 -3.62 3.17 3.41 -0.56 -4.29 113.62 108.94 3k2p n SER 553 Ca 0.02 0.20 -0.52 0.00 -0.26 0.00 0.00 58.87 58.32 3k2p n SER 553 Cb 0.65 0.82 -0.09 0.00 -0.26 0.00 0.00 64.21 65.34 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 -2.40 -0.60 -1.05 7.33 0.00 -0.90 -0.53 120.51 122.35 3k2p n ALA 554 Ca -0.11 0.30 -0.02 0.00 0.00 0.00 0.00 53.44 53.61 3k2p n ALA 554 Cb 0.80 -1.57 -0.01 0.00 0.00 0.00 0.00 19.45 18.67 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 4.23 0.47 1.23 0.00 0.00 -1.26 -4.79 105.19 105.07 3k2p n GLY 555 Ca 0.32 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.68 0.17 1.56 -0.61 2.08 0.31 -5.07 119.36 115.12 3k2p n ILE 556 Ca -0.02 0.06 0.14 0.00 0.56 0.00 0.00 62.75 63.49 3k2p n ILE 556 Cb 0.19 -1.29 0.58 0.00 -0.75 0.00 0.00 39.64 38.37 3k2p n ILE 556 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65