#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cph s SER 448 N 0.00 6.38 -0.16 1.61 0.15 -1.26 -5.01 113.70 115.40 2cph s SER 448 Ca 0.00 0.45 -0.25 0.00 0.70 0.00 0.00 55.95 56.85 2cph s SER 448 Cb 0.00 -2.11 -0.22 0.00 -1.71 0.00 0.00 66.02 61.99 2cph s SER 448 CO 0.00 0.30 0.51 0.28 1.20 0.00 0.00 173.24 175.53 2cph h SER 449 N 5.66 0.00 0.00 5.45 0.02 -2.14 -3.50 113.55 119.04 2cph h SER 449 Ca -0.49 -0.76 0.00 0.00 -0.84 0.00 0.00 61.79 59.71 2cph h SER 449 Cb 1.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.74 2cph h SER 449 CO 0.66 1.16 0.00 0.61 -1.14 0.00 0.00 176.83 178.11 2cph n GLY 450 N 1.55 3.43 3.18 -3.77 0.00 -1.26 -5.17 105.19 103.15 2cph n GLY 450 Ca -0.18 -0.20 -0.26 0.00 0.00 0.00 0.00 46.02 45.38 2cph n GLY 450 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cph s SER 451 N 2.00 2.19 -0.44 1.61 1.04 -1.26 -5.10 113.70 113.73 2cph s SER 451 Ca 0.00 -0.34 0.04 0.00 0.48 0.00 0.00 55.95 56.13 2cph s SER 451 Cb 0.00 -0.28 0.12 0.00 0.10 0.00 0.00 66.02 65.96 2cph s SER 451 CO 0.00 0.22 0.17 -0.94 0.98 0.00 0.00 173.24 173.67 2cph s SER 452 N -0.39 4.50 -0.35 7.02 1.04 -1.26 -5.04 113.70 119.22 2cph s SER 452 Ca 0.06 -2.64 0.01 0.00 0.48 0.00 0.00 55.95 53.86 2cph s SER 452 Cb -0.08 -1.63 0.11 0.00 0.10 0.00 0.00 66.02 64.53 2cph s SER 452 CO -0.00 -0.30 0.14 -0.83 0.98 0.00 0.00 173.24 173.23 2cph s GLY 453 N 0.24 1.34 -0.22 7.32 0.00 -1.26 -5.10 107.32 109.63 2cph s GLY 453 Ca 0.14 -2.04 -0.15 0.00 0.00 0.00 0.00 44.72 42.67 2cph s GLY 453 CO -0.04 1.54 0.36 1.20 0.00 0.00 0.00 173.10 176.16 2cph s GLN 454 N 1.15 4.14 -0.92 2.90 -0.21 -1.26 -5.03 119.66 120.43 2cph s GLN 454 Ca 0.12 0.11 -0.04 0.00 0.02 0.00 0.00 55.36 55.57 2cph s GLN 454 Cb -0.20 -3.55 0.23 0.00 1.00 0.00 0.00 33.01 30.49 2cph s GLN 454 CO -0.15 -0.06 0.84 0.08 -2.12 0.00 0.00 175.29 173.87 2cph s VAL 455 N 1.38 4.80 -0.84 1.09 1.01 -1.26 -5.02 120.40 121.57 2cph s VAL 455 Ca 0.17 -3.60 -0.25 0.00 0.00 0.00 0.00 61.98 58.30 2cph s VAL 455 Cb -0.15 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 2cph s VAL 455 CO 0.08 -1.09 1.93 -2.16 0.00 0.00 0.00 175.10 173.85 2cph s PRO 456 N -1.14 2.57 -0.40 2.72 0.04 -1.26 -4.94 135.00 132.60 2cph s PRO 456 Ca 0.27 -0.09 -0.13 0.00 0.04 0.00 0.00 61.00 61.09 2cph s PRO 456 Cb -0.09 -4.91 0.03 0.00 0.04 0.00 0.00 34.50 29.57 2cph s PRO 456 CO -0.10 -3.24 0.26 0.15 0.04 0.00 0.00 177.00 174.11 2cph s LYS 457 N 7.02 2.87 -0.00 4.56 1.02 -1.26 -4.96 119.74 128.99 2cph s LYS 457 Ca 0.69 -1.11 -0.24 0.00 0.02 0.00 0.00 55.97 55.34 2cph s LYS 457 Cb -0.08 -3.86 -0.19 0.00 -0.52 0.00 0.00 37.83 33.18 2cph s LYS 457 CO 0.04 -0.76 1.31 1.57 -0.92 0.00 0.00 175.35 176.59 2cph h LYS 458 N 8.53 0.08 -3.01 1.68 2.10 -2.07 -3.34 116.57 120.54 2cph h LYS 458 Ca -0.26 -0.04 -0.76 0.00 -2.00 0.00 0.00 60.65 57.58 2cph h LYS 458 Cb 1.11 -0.00 -0.31 0.00 -0.90 0.00 0.00 32.23 32.13 2cph h LYS 458 CO 0.71 0.52 0.40 1.04 -2.00 0.00 0.00 179.45 180.13 2cph n GLN 459 N -4.80 3.76 -1.73 0.07 6.02 -1.26 -5.05 117.38 114.39 2cph n GLN 459 Ca -0.08 -4.54 -0.41 0.00 -0.01 0.00 0.00 57.00 51.96 2cph n GLN 459 Cb 0.26 -2.47 0.01 0.00 1.02 0.00 0.00 30.24 29.06 2cph n GLN 459 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 2cph n THR 460 N 1.68 2.46 -4.24 5.09 -1.04 -1.26 -5.02 114.28 111.96 2cph n THR 460 Ca 0.25 -0.50 -0.19 0.00 -2.04 0.00 0.00 64.05 61.57 2cph n THR 460 Cb 0.36 -1.71 -0.12 0.00 -1.82 0.00 0.00 70.33 67.04 2cph n THR 460 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 2cph s THR 461 N -1.17 1.17 -0.53 12.58 -1.32 -1.26 -5.11 115.64 120.00 2cph s THR 461 Ca 0.59 -1.24 0.04 0.00 -1.21 0.00 0.00 61.69 59.87 2cph s THR 461 Cb -0.49 -1.10 0.15 0.00 -1.51 0.00 0.00 72.50 69.55 2cph s THR 461 CO 0.59 -0.14 0.33 -0.94 -2.21 0.00 0.00 174.62 172.25 2cph s SER 462 N -1.58 3.89 -0.08 8.08 1.04 -1.26 -5.04 113.70 118.75 2cph s SER 462 Ca -0.00 -3.11 -0.03 0.00 0.48 0.00 0.00 55.95 53.29 2cph s SER 462 Cb -0.09 -1.28 0.04 0.00 0.10 0.00 0.00 66.02 64.78 2cph s SER 462 CO 0.02 -0.20 0.06 -0.75 0.98 0.00 0.00 173.24 173.35 2cph s LYS 463 N -0.34 0.08 -0.42 4.02 2.20 -1.26 -4.29 119.74 119.73 2cph s LYS 463 Ca 0.21 0.19 -0.19 0.00 -0.36 0.00 0.00 55.97 55.82 2cph s LYS 463 Cb -0.16 -0.98 0.02 0.00 -1.51 0.00 0.00 37.83 35.20 2cph s LYS 463 CO -0.07 -0.43 0.54 0.42 -0.36 0.00 0.00 175.35 175.45 2cph s ILE 464 N 2.12 4.97 -0.49 5.43 1.01 -0.50 -2.74 121.20 131.00 2cph s ILE 464 Ca 0.04 -0.03 -0.13 0.00 0.00 0.00 0.00 60.65 60.53 2cph s ILE 464 Cb -0.13 -4.09 0.11 0.00 0.01 0.00 0.00 42.46 38.35 2cph s ILE 464 CO -0.05 -0.46 0.39 -0.22 0.00 0.00 0.00 174.94 174.61 2cph s LEU 465 N 2.47 5.76 -0.14 2.97 2.96 -1.02 -0.99 118.68 130.69 2cph s LEU 465 Ca 0.18 -1.69 -0.22 0.00 -0.22 0.00 0.00 54.13 52.18 2cph s LEU 465 Cb -0.16 -2.11 -0.03 0.00 0.50 0.00 0.00 46.19 44.40 2cph s LEU 465 CO 0.16 -0.72 0.67 0.54 -1.32 0.00 0.00 176.35 175.68 2cph s VAL 466 N 1.51 5.03 0.36 1.68 0.11 -0.38 -2.32 120.40 126.38 2cph s VAL 466 Ca 0.04 1.31 0.08 0.00 -2.93 0.00 0.00 61.98 60.49 2cph s VAL 466 Cb -0.27 -3.99 -0.05 0.00 -1.53 0.00 0.00 36.38 30.54 2cph s VAL 466 CO 0.02 0.17 0.06 -0.13 -3.33 0.00 0.00 175.10 171.89 2cph s ARG 467 N 1.41 2.13 -0.84 1.54 0.52 0.63 0.56 118.95 124.90 2cph s ARG 467 Ca 0.33 -1.77 -0.02 0.00 -0.52 0.00 0.00 55.73 53.75 2cph s ARG 467 Cb -0.16 -1.94 0.00 0.00 0.52 0.00 0.00 34.95 33.37 2cph s ARG 467 CO 0.13 0.07 0.26 -1.71 0.02 0.00 0.00 175.30 174.08 2cph n ASN 468 N -1.03 -3.87 -4.73 0.23 5.15 -0.09 -1.70 115.26 109.22 2cph n ASN 468 Ca -0.04 -0.12 -0.41 0.00 -0.60 0.00 0.00 54.58 53.41 2cph n ASN 468 Cb 0.63 -2.83 -0.04 0.00 -0.53 0.00 0.00 39.78 37.01 2cph n ASN 468 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2cph s ILE 469 N -2.80 3.97 0.31 -1.44 1.01 -1.26 -4.67 121.20 116.31 2cph s ILE 469 Ca 0.13 1.62 -0.29 0.00 0.00 0.00 0.00 60.65 62.11 2cph s ILE 469 Cb -0.06 -4.04 -0.10 0.00 0.01 0.00 0.00 42.46 38.28 2cph s ILE 469 CO 0.16 0.24 1.23 -2.16 0.00 0.00 0.00 174.94 174.41 2cph s PRO 470 N -0.04 4.47 0.29 2.79 0.04 -1.26 -4.71 135.00 136.58 2cph s PRO 470 Ca 0.51 2.06 0.04 0.00 0.04 0.00 0.00 61.00 63.65 2cph s PRO 470 Cb -0.29 -3.12 0.74 0.00 0.04 0.00 0.00 34.50 31.88 2cph s PRO 470 CO 0.33 -0.03 1.71 0.35 0.04 0.00 0.00 177.00 179.40 2cph h PHE 471 N 3.56 0.72 -0.92 0.56 3.04 -1.95 0.30 116.94 122.27 2cph h PHE 471 Ca -0.48 0.04 0.10 0.00 3.98 0.00 0.00 57.97 61.61 2cph h PHE 471 Cb 1.22 -0.18 -0.07 0.00 2.56 0.00 0.00 35.95 39.49 2cph h PHE 471 CO 0.57 -0.01 0.59 0.37 -2.02 0.00 0.00 178.31 177.81 2cph h GLN 472 N 0.45 0.87 -6.92 1.11 4.15 -2.01 -3.41 115.11 109.35 2cph h GLN 472 Ca 0.57 -0.05 -0.52 0.00 0.77 0.00 0.00 58.65 59.41 2cph h GLN 472 Cb 1.06 -0.20 0.08 0.00 0.21 0.00 0.00 27.48 28.63 2cph h GLN 472 CO -0.51 0.58 0.63 0.00 -1.93 0.00 0.00 178.83 177.60 2cph s ALA 473 N -5.83 3.36 0.39 3.38 0.00 0.11 -5.03 121.76 118.13 2cph s ALA 473 Ca -0.11 1.25 0.05 0.00 0.00 0.00 0.00 51.96 53.15 2cph s ALA 473 Cb 0.21 -3.49 -0.02 0.00 0.00 0.00 0.00 23.12 19.83 2cph s ALA 473 CO 0.80 -0.76 0.17 0.09 0.00 0.00 0.00 175.76 176.06 2cph n ASN 474 N 0.38 0.86 -0.15 0.00 3.02 -1.26 -4.86 115.26 113.24 2cph n ASN 474 Ca 0.02 -3.15 -0.07 0.00 -0.03 0.00 0.00 54.58 51.36 2cph n ASN 474 Cb 0.43 1.14 -0.01 0.00 -0.61 0.00 0.00 39.78 40.73 2cph n ASN 474 CO 0.00 0.00 0.00 -0.61 -2.62 0.00 0.00 177.26 174.03 2cph h GLN 475 N 0.00 -0.21 -0.02 3.52 4.15 -1.94 -1.61 115.11 119.00 2cph h GLN 475 Ca -0.30 0.01 0.03 0.00 0.77 0.00 0.00 58.65 59.17 2cph h GLN 475 Cb 1.20 0.05 -0.05 0.00 0.21 0.00 0.00 27.48 28.89 2cph h GLN 475 CO 0.47 -0.14 -0.27 0.00 -1.93 0.00 0.00 178.83 176.95 2cph h ARG 476 N -0.22 -0.39 -0.85 1.69 3.08 -1.98 -0.07 114.38 115.65 2cph h ARG 476 Ca 0.19 0.03 0.12 0.00 0.07 0.00 0.00 59.98 60.39 2cph h ARG 476 Cb 0.54 0.09 -0.13 0.00 0.08 0.00 0.00 29.97 30.55 2cph h ARG 476 CO -0.59 -0.26 -0.45 1.49 -1.07 0.00 0.00 179.97 179.09 2cph h GLU 477 N -0.40 -0.08 -0.19 0.04 4.57 -1.70 0.40 114.58 117.21 2cph h GLU 477 Ca 0.07 0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.25 2cph h GLU 477 Cb 0.50 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.10 2cph h GLU 477 CO -0.25 -0.05 0.10 0.82 -1.18 0.00 0.00 179.01 178.45 2cph h ILE 478 N -0.08 1.11 0.00 2.32 1.08 -1.05 -1.81 117.51 119.09 2cph h ILE 478 Ca 0.24 -0.31 0.00 0.00 -0.39 0.00 0.00 64.86 64.40 2cph h ILE 478 Cb 0.54 0.98 0.00 0.00 -3.07 0.00 0.00 36.82 35.27 2cph h ILE 478 CO -0.87 0.11 0.00 0.54 -0.69 0.00 0.00 178.15 177.24 2cph n ARG 479 N -4.89 0.00 -0.21 2.37 1.74 0.05 -0.68 116.66 115.05 2cph n ARG 479 Ca -0.04 0.89 0.12 0.00 -0.77 0.00 0.00 57.85 58.05 2cph n ARG 479 Cb 0.08 -1.45 0.42 0.00 -1.02 0.00 0.00 32.46 30.50 2cph n ARG 479 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2cph h GLU 480 N 0.00 0.58 -0.85 5.56 5.08 -1.40 0.36 114.58 123.91 2cph h GLU 480 Ca 0.00 -0.03 0.20 0.00 -1.00 0.00 0.00 59.36 58.52 2cph h GLU 480 Cb 0.00 -0.13 -0.12 0.00 0.50 0.00 0.00 28.75 29.00 2cph h GLU 480 CO 0.00 0.38 0.33 1.25 -1.00 0.00 0.00 179.01 179.97 2cph h LEU 481 N 0.59 0.24 0.00 1.33 5.85 0.01 -2.00 115.31 121.34 2cph h LEU 481 Ca 0.39 0.15 -0.29 0.00 0.84 0.00 0.00 57.88 58.97 2cph h LEU 481 Cb 0.68 0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.81 2cph h LEU 481 CO -0.15 0.00 -1.74 0.49 -0.34 0.00 0.00 178.44 176.70 2cph n PHE 482 N -5.07 0.43 -0.53 1.25 3.72 -0.53 -4.31 117.46 112.41 2cph n PHE 482 Ca 0.19 0.19 0.41 0.00 -0.05 0.00 0.00 57.45 58.19 2cph n PHE 482 Cb 0.58 -0.95 0.65 0.00 -0.94 0.00 0.00 39.48 38.81 2cph n PHE 482 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2cph n SER 483 N -4.37 0.05 -0.11 4.37 3.41 0.12 0.13 113.62 117.21 2cph n SER 483 Ca -0.38 0.93 -0.05 0.00 -0.26 0.00 0.00 58.87 59.11 2cph n SER 483 Cb 0.72 -0.46 0.02 0.00 -0.26 0.00 0.00 64.21 64.23 2cph n SER 483 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2cph h THR 484 N 0.00 0.76 -0.45 6.66 2.02 -1.55 -2.30 112.91 118.05 2cph h THR 484 Ca 0.77 -0.05 -0.05 0.00 0.77 0.00 0.00 66.41 67.85 2cph h THR 484 Cb 2.90 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 69.89 2cph h THR 484 CO -0.13 0.03 0.10 -0.26 0.37 0.00 0.00 175.52 175.63 2cph h PHE 485 N 0.15 0.77 -2.50 3.16 -1.00 0.76 -3.47 116.94 114.81 2cph h PHE 485 Ca 0.18 -0.09 0.15 0.00 2.81 0.00 0.00 57.97 61.02 2cph h PHE 485 Cb 0.24 -0.21 -0.05 0.00 3.61 0.00 0.00 35.95 39.53 2cph h PHE 485 CO -0.23 0.71 0.50 0.20 -1.61 0.00 0.00 178.31 177.88 2cph s GLY 486 N -3.18 -0.03 0.37 -1.45 0.00 -0.87 -5.01 107.32 97.16 2cph s GLY 486 Ca -0.13 -0.15 -0.28 0.00 0.00 0.00 0.00 44.72 44.16 2cph s GLY 486 CO 0.78 0.88 1.41 1.85 0.00 0.00 0.00 173.10 178.03 2cph s GLU 487 N -2.77 4.13 0.31 2.90 2.56 -1.26 -3.90 118.70 120.66 2cph s GLU 487 Ca 0.16 2.42 0.08 0.00 0.00 0.00 0.00 54.97 57.63 2cph s GLU 487 Cb -0.02 -2.95 -0.03 0.00 2.00 0.00 0.00 34.13 33.12 2cph s GLU 487 CO 0.05 -0.46 0.23 -0.51 -0.56 0.00 0.00 175.26 174.01 2cph s LEU 488 N -2.09 3.59 -0.25 2.70 1.43 -1.26 -2.90 118.68 119.89 2cph s LEU 488 Ca 0.53 -0.47 -0.16 0.00 -1.03 0.00 0.00 54.13 52.99 2cph s LEU 488 Cb -0.44 -2.16 -0.13 0.00 0.03 0.00 0.00 46.19 43.49 2cph s LEU 488 CO 0.58 -0.24 -0.21 0.29 0.23 0.00 0.00 176.35 177.01 2cph n LYS 489 N -1.26 0.58 -3.65 1.70 5.02 -0.21 -4.62 118.16 115.72 2cph n LYS 489 Ca -0.04 0.34 -0.01 0.00 -2.02 0.00 0.00 58.31 56.59 2cph n LYS 489 Cb 0.59 -1.56 -0.06 0.00 -0.02 0.00 0.00 35.03 33.98 2cph n LYS 489 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 2cph s THR 490 N -2.49 0.00 -0.21 -0.18 -1.32 -1.25 -5.03 115.64 105.17 2cph s THR 490 Ca -0.36 0.00 -0.08 0.00 -1.21 0.00 0.00 61.69 60.04 2cph s THR 490 Cb 0.12 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 70.07 2cph s THR 490 CO 0.51 0.00 0.09 -0.69 -2.21 0.00 0.00 174.62 172.32 2cph s VAL 491 N 1.08 4.93 -0.16 5.08 1.01 -1.26 -2.99 120.40 128.08 2cph s VAL 491 Ca -0.07 0.02 -0.00 0.00 0.00 0.00 0.00 61.98 61.93 2cph s VAL 491 Cb -0.03 -3.25 -0.00 0.00 0.00 0.00 0.00 36.38 33.09 2cph s VAL 491 CO -0.12 0.42 -0.14 -0.13 0.00 0.00 0.00 175.10 175.13 2cph s ARG 492 N 0.69 3.24 0.00 2.72 1.81 -0.54 -5.04 118.95 121.83 2cph s ARG 492 Ca 0.05 -0.73 -0.01 0.00 -1.72 0.00 0.00 55.73 53.32 2cph s ARG 492 Cb -0.13 -2.68 -0.01 0.00 -0.45 0.00 0.00 34.95 31.68 2cph s ARG 492 CO 0.02 -0.01 0.00 -0.51 -0.68 0.00 0.00 175.30 174.11 2cph s LEU 493 N 0.90 2.04 0.16 2.53 1.02 -1.26 -1.89 118.68 122.19 2cph s LEU 493 Ca -0.03 -0.17 -0.30 0.00 0.02 0.00 0.00 54.13 53.65 2cph s LEU 493 Cb -0.15 0.09 -0.08 0.00 0.02 0.00 0.00 46.19 46.06 2cph s LEU 493 CO -0.01 -0.12 1.33 -2.16 0.02 0.00 0.00 176.35 175.40 2cph s PRO 494 N -0.56 4.37 -0.18 1.29 0.04 -1.26 -5.00 135.00 133.70 2cph s PRO 494 Ca -0.06 2.04 -0.10 0.00 0.04 0.00 0.00 61.00 62.91 2cph s PRO 494 Cb -0.04 -3.22 -0.05 0.00 0.04 0.00 0.00 34.50 31.23 2cph s PRO 494 CO -0.00 -0.31 0.17 -1.59 0.04 0.00 0.00 177.00 175.31 2cph s LYS 495 N 0.34 4.11 0.36 4.56 -2.85 -1.26 -4.46 119.74 120.54 2cph s LYS 495 Ca 0.59 -0.14 -0.27 0.00 -1.00 0.00 0.00 55.97 55.15 2cph s LYS 495 Cb -0.36 -3.39 -0.10 0.00 -2.06 0.00 0.00 37.83 31.92 2cph s LYS 495 CO 0.35 0.35 1.29 0.21 0.10 0.00 0.00 175.35 177.66 2cph s LYS 496 N 0.19 4.19 0.22 1.78 2.47 -1.26 -4.45 119.74 122.87 2cph s LYS 496 Ca 0.11 2.16 0.11 0.00 -1.56 0.00 0.00 55.97 56.79 2cph s LYS 496 Cb -0.12 -2.93 -0.05 0.00 -1.46 0.00 0.00 37.83 33.28 2cph s LYS 496 CO 0.00 -0.31 -0.22 -1.64 0.16 0.00 0.00 175.35 173.34 2cph s MET 497 N -1.99 1.54 0.16 4.03 -1.94 -0.09 -4.95 119.30 116.05 2cph s MET 497 Ca 0.52 -1.59 -0.11 0.00 -1.71 0.00 0.00 55.69 52.80 2cph s MET 497 Cb -0.38 -1.76 0.02 0.00 2.01 0.00 0.00 34.83 34.72 2cph s MET 497 CO 0.50 0.36 1.60 1.79 -0.01 0.00 0.00 175.02 179.26 2cph h THR 498 N 2.93 1.27 0.00 2.05 1.35 -1.96 -3.42 112.91 115.12 2cph h THR 498 Ca -0.44 -1.14 0.00 0.00 -0.55 0.00 0.00 66.41 64.28 2cph h THR 498 Cb 1.22 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 68.61 2cph h THR 498 CO 0.52 0.40 0.00 0.61 -0.25 0.00 0.00 175.52 176.80 2cph n GLY 499 N -0.35 1.11 3.64 5.82 0.00 -1.26 -5.04 105.19 109.12 2cph n GLY 499 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 2cph n GLY 499 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2cph s THR 500 N 0.26 3.73 0.00 2.61 -4.23 -1.26 -4.96 115.64 111.79 2cph s THR 500 Ca 0.00 -1.20 0.00 0.00 -1.18 0.00 0.00 61.69 59.31 2cph s THR 500 Cb 0.00 -2.79 0.00 0.00 1.34 0.00 0.00 72.50 71.05 2cph s THR 500 CO 0.00 0.06 0.00 0.61 -0.54 0.00 0.00 174.62 174.75 2cph n GLY 501 N 0.43 -0.59 3.62 3.99 0.00 -1.26 -4.59 105.19 106.79 2cph n GLY 501 Ca -0.11 -0.70 -0.24 0.00 0.00 0.00 0.00 46.02 44.97 2cph n GLY 501 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cph s ALA 502 N 0.00 3.10 -0.25 4.61 0.00 -1.26 -0.92 121.76 127.04 2cph s ALA 502 Ca 0.00 -1.60 -0.28 0.00 0.00 0.00 0.00 51.96 50.08 2cph s ALA 502 Cb 0.00 -0.76 -0.05 0.00 0.00 0.00 0.00 23.12 22.32 2cph s ALA 502 CO 0.00 0.33 2.18 -1.58 0.00 0.00 0.00 175.76 176.68 2cph s HIS 503 N -2.15 1.24 0.74 0.00 5.65 -1.26 -4.82 115.29 114.68 2cph s HIS 503 Ca 0.30 0.61 -0.11 0.00 0.25 0.00 0.00 55.06 56.10 2cph s HIS 503 Cb -0.07 -3.93 0.04 0.00 -1.18 0.00 0.00 32.58 27.43 2cph s HIS 503 CO 0.19 -3.86 1.10 1.03 -0.65 0.00 0.00 174.74 172.54 2cph s ARG 504 N 6.37 2.54 -1.50 2.88 0.52 -1.26 -4.94 118.95 123.56 2cph s ARG 504 Ca 0.98 0.56 -0.09 0.00 -0.52 0.00 0.00 55.73 56.66 2cph s ARG 504 Cb -0.31 -1.98 -0.00 0.00 0.52 0.00 0.00 34.95 33.18 2cph s ARG 504 CO 0.34 -1.29 2.68 0.41 0.02 0.00 0.00 175.30 177.47 2cph n GLY 505 N -2.58 4.59 3.63 -3.53 0.00 -1.26 -4.81 105.19 101.23 2cph n GLY 505 Ca 0.07 -1.71 -0.11 0.00 0.00 0.00 0.00 46.02 44.27 2cph n GLY 505 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2cph s PHE 506 N 1.12 -0.72 0.01 1.61 -0.12 -1.26 -0.91 117.98 117.71 2cph s PHE 506 Ca 0.62 1.69 0.00 0.00 -0.05 0.00 0.00 56.93 59.20 2cph s PHE 506 Cb 0.17 0.35 -0.01 0.00 -0.63 0.00 0.00 43.02 42.90 2cph s PHE 506 CO -0.07 -0.35 -0.03 0.20 -0.05 0.00 0.00 175.22 174.92 2cph s GLY 507 N 0.55 0.21 -0.20 1.99 0.00 0.19 -4.61 107.32 105.45 2cph s GLY 507 Ca -0.01 -0.40 -0.06 0.00 0.00 0.00 0.00 44.72 44.25 2cph s GLY 507 CO -0.05 -0.43 0.04 -1.36 0.00 0.00 0.00 173.10 171.30 2cph s PHE 508 N -0.86 3.12 -0.08 1.90 0.08 -0.79 -1.25 117.98 120.09 2cph s PHE 508 Ca -0.08 -0.23 0.04 0.00 0.12 0.00 0.00 56.93 56.77 2cph s PHE 508 Cb -0.06 -2.12 0.00 0.00 -0.57 0.00 0.00 43.02 40.28 2cph s PHE 508 CO -0.00 -0.11 -0.19 0.08 -0.10 0.00 0.00 175.22 174.89 2cph s VAL 509 N 0.89 1.69 0.03 -0.44 1.01 -0.16 -1.47 120.40 121.95 2cph s VAL 509 Ca 0.03 -0.81 0.06 0.00 0.00 0.00 0.00 61.98 61.25 2cph s VAL 509 Cb -0.14 -1.48 -0.03 0.00 0.00 0.00 0.00 36.38 34.73 2cph s VAL 509 CO 0.02 0.48 -0.15 -1.81 0.00 0.00 0.00 175.10 173.64 2cph s ASP 510 N 0.39 4.03 0.28 3.32 1.01 -1.16 -1.42 116.67 123.12 2cph s ASP 510 Ca -0.15 -0.35 0.10 0.00 0.71 0.00 0.00 52.55 52.86 2cph s ASP 510 Cb -0.16 -0.74 -0.04 0.00 1.01 0.00 0.00 42.92 42.98 2cph s ASP 510 CO 0.06 0.26 -0.02 -0.36 0.21 0.00 0.00 175.17 175.32 2cph s PHE 511 N -0.95 2.64 0.05 4.23 0.40 -1.26 -1.04 117.98 122.05 2cph s PHE 511 Ca 0.15 -0.26 -0.19 0.00 -0.60 0.00 0.00 56.93 56.04 2cph s PHE 511 Cb -0.11 -1.21 -0.14 0.00 0.51 0.00 0.00 43.02 42.08 2cph s PHE 511 CO 0.06 0.61 1.33 0.82 0.70 0.00 0.00 175.22 178.74 2cph h ILE 512 N 1.91 1.35 -4.13 0.64 1.08 -1.79 -3.40 117.51 113.17 2cph h ILE 512 Ca -0.44 -1.45 -0.57 0.00 -0.39 0.00 0.00 64.86 62.02 2cph h ILE 512 Cb 1.25 1.89 -0.30 0.00 -3.07 0.00 0.00 36.82 36.59 2cph h ILE 512 CO 0.61 0.43 -0.84 0.42 -0.69 0.00 0.00 178.15 178.08 2cph s THR 513 N -4.17 1.46 0.27 -0.27 -4.23 -1.26 -5.03 115.64 102.41 2cph s THR 513 Ca -0.14 -0.76 -0.01 0.00 -1.18 0.00 0.00 61.69 59.60 2cph s THR 513 Cb 0.06 -1.23 0.27 0.00 1.34 0.00 0.00 72.50 72.94 2cph s THR 513 CO 0.78 0.42 1.68 0.11 -0.54 0.00 0.00 174.62 177.06 2cph h LYS 514 N 5.96 0.28 0.22 3.99 6.56 -1.95 -1.55 116.57 130.08 2cph h LYS 514 Ca -0.35 -0.02 0.01 0.00 -1.06 0.00 0.00 60.65 59.23 2cph h LYS 514 Cb 1.16 -0.06 -0.04 0.00 -0.57 0.00 0.00 32.23 32.72 2cph h LYS 514 CO 0.48 0.18 -0.50 1.96 -2.06 0.00 0.00 179.45 179.51 2cph h GLN 515 N 0.28 -0.77 -0.96 3.15 1.08 -2.00 -1.47 115.11 114.42 2cph h GLN 515 Ca 0.49 0.05 0.23 0.00 -1.45 0.00 0.00 58.65 57.98 2cph h GLN 515 Cb 0.90 0.18 -0.12 0.00 -0.05 0.00 0.00 27.48 28.39 2cph h GLN 515 CO -0.56 -0.51 0.53 -0.44 -0.95 0.00 0.00 178.83 176.89 2cph h ASP 516 N -0.80 0.56 0.06 1.46 3.32 -1.72 -0.40 116.42 118.90 2cph h ASP 516 Ca -0.01 0.14 0.01 0.00 0.02 0.00 0.00 57.03 57.19 2cph h ASP 516 Cb 0.77 0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.37 2cph h ASP 516 CO -0.22 0.08 -0.11 0.00 -1.72 0.00 0.00 179.24 177.27 2cph h ALA 517 N 1.72 -0.18 -0.30 3.45 0.00 -0.76 -2.15 119.26 121.04 2cph h ALA 517 Ca 0.61 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.57 2cph h ALA 517 Cb 1.15 0.17 -0.06 0.00 0.00 0.00 0.00 17.79 19.06 2cph h ALA 517 CO -0.49 -0.62 -0.06 0.87 0.00 0.00 0.00 179.25 178.95 2cph h LYS 518 N -0.22 0.01 0.04 0.00 6.56 -0.30 -0.88 116.57 121.79 2cph h LYS 518 Ca 0.02 -0.00 0.02 0.00 -1.06 0.00 0.00 60.65 59.63 2cph h LYS 518 Cb 0.24 -0.00 -0.05 0.00 -0.57 0.00 0.00 32.23 31.84 2cph h LYS 518 CO -0.06 0.01 -0.48 0.87 -2.06 0.00 0.00 179.45 177.73 2cph h LYS 519 N 0.01 -0.63 0.00 3.15 1.57 -1.16 0.16 116.57 119.67 2cph h LYS 519 Ca 0.14 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 2cph h LYS 519 Cb 0.21 0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.67 2cph h LYS 519 CO -0.30 -0.42 0.00 0.00 -0.57 0.00 0.00 179.45 178.16 2cph n ALA 520 N -2.91 -0.34 -0.32 3.86 0.00 -0.83 -1.85 120.51 118.11 2cph n ALA 520 Ca -0.07 0.00 0.31 0.00 0.00 0.00 0.00 53.44 53.68 2cph n ALA 520 Cb 0.39 0.13 0.57 0.00 0.00 0.00 0.00 19.45 20.54 2cph n ALA 520 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2cph h PHE 521 N 0.00 0.81 -0.35 0.00 3.04 -1.15 0.89 116.94 120.18 2cph h PHE 521 Ca 0.00 0.04 0.02 0.00 3.98 0.00 0.00 57.97 62.01 2cph h PHE 521 Cb 0.00 -0.18 -0.03 0.00 2.56 0.00 0.00 35.95 38.30 2cph h PHE 521 CO -0.07 -0.45 0.19 -0.97 -2.02 0.00 0.00 178.31 174.99 2cph h ASN 522 N 0.03 0.29 0.13 0.41 -0.73 -0.24 0.35 115.58 115.82 2cph h ASN 522 Ca 0.83 0.01 -0.01 0.00 1.87 0.00 0.00 56.30 59.00 2cph h ASN 522 Cb 2.16 -0.05 0.00 0.00 0.27 0.00 0.00 38.32 40.70 2cph h ASN 522 CO -0.76 0.21 -0.06 0.00 -0.37 0.00 0.00 177.43 176.45 2cph h ALA 523 N 1.17 -0.18 0.41 1.57 0.00 0.14 -3.12 119.26 119.25 2cph h ALA 523 Ca 0.14 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2cph h ALA 523 Cb 0.03 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 2cph h ALA 523 CO -0.08 -0.25 -0.48 -0.07 0.00 0.00 0.00 179.25 178.37 2cph h LEU 524 N -0.87 -1.33 -0.89 0.00 -0.00 -0.67 -2.72 115.31 108.83 2cph h LEU 524 Ca -0.02 0.12 0.15 0.00 -0.00 0.00 0.00 57.88 58.13 2cph h LEU 524 Cb 0.54 0.45 -0.15 0.00 -0.00 0.00 0.00 40.66 41.50 2cph h LEU 524 CO 0.03 -0.62 -0.34 0.00 -0.00 0.00 0.00 178.44 177.51 2cph n HIS 526 N -5.49 -0.18 -3.27 0.00 -0.00 -1.03 -4.52 115.22 100.73 2cph n HIS 526 Ca 0.10 1.03 0.03 0.00 -0.00 0.00 0.00 57.72 58.88 2cph n HIS 526 Cb 0.40 -0.68 -0.03 0.00 -0.00 0.00 0.00 29.99 29.68 2cph n HIS 526 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 2cph s SER 527 N -5.36 -0.65 -0.27 0.26 1.04 -0.06 -5.14 113.70 103.53 2cph s SER 527 Ca -0.11 0.62 0.01 0.00 0.48 0.00 0.00 55.95 56.96 2cph s SER 527 Cb 0.13 1.63 0.08 0.00 0.10 0.00 0.00 66.02 67.96 2cph s SER 527 CO 0.55 -0.12 -0.00 -0.89 0.98 0.00 0.00 173.24 173.76 2cph s THR 528 N 2.70 1.59 -0.30 2.02 2.01 -1.16 -4.80 115.64 117.70 2cph s THR 528 Ca 0.01 -1.53 -0.12 0.00 0.31 0.00 0.00 61.69 60.37 2cph s THR 528 Cb -0.09 -1.99 -0.04 0.00 0.01 0.00 0.00 72.50 70.39 2cph s THR 528 CO -0.16 -0.33 0.23 -1.00 -0.69 0.00 0.00 174.62 172.67 2cph s HIS 529 N 1.32 3.22 -0.10 4.92 3.76 -1.26 -1.49 115.29 125.66 2cph s HIS 529 Ca 0.01 0.04 -0.00 0.00 -0.15 0.00 0.00 55.06 54.96 2cph s HIS 529 Cb -0.19 -2.43 0.02 0.00 1.11 0.00 0.00 32.58 31.09 2cph s HIS 529 CO -0.10 -0.23 -0.07 -1.17 -0.85 0.00 0.00 174.74 172.32 2cph s LEU 530 N 1.78 1.16 -1.34 0.89 2.96 0.57 -4.82 118.68 119.88 2cph s LEU 530 Ca 0.08 -0.26 -0.00 0.00 -0.22 0.00 0.00 54.13 53.73 2cph s LEU 530 Cb -0.16 -0.75 0.00 0.00 0.50 0.00 0.00 46.19 45.78 2cph s LEU 530 CO 0.11 -0.11 0.60 -1.22 -1.32 0.00 0.00 176.35 174.41 2cph n TYR 531 N 4.78 -1.82 -3.15 5.38 4.01 -1.26 -1.16 117.16 123.93 2cph n TYR 531 Ca -0.14 0.81 -0.23 0.00 -0.16 0.00 0.00 57.90 58.18 2cph n TYR 531 Cb 0.50 -4.18 0.04 0.00 -0.31 0.00 0.00 39.34 35.39 2cph n TYR 531 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2cph n GLY 532 N -1.71 -0.52 3.06 2.72 0.00 -1.26 -4.98 105.19 102.49 2cph n GLY 532 Ca -0.31 0.14 -0.08 0.00 0.00 0.00 0.00 46.02 45.77 2cph n GLY 532 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2cph s ARG 533 N -5.84 0.50 -0.26 1.61 0.52 -0.31 -5.14 118.95 110.02 2cph s ARG 533 Ca 0.36 -0.88 -0.09 0.00 -0.52 0.00 0.00 55.73 54.60 2cph s ARG 533 Cb -0.16 0.18 -0.04 0.00 0.52 0.00 0.00 34.95 35.44 2cph s ARG 533 CO 0.44 -0.10 0.14 0.50 0.02 0.00 0.00 175.30 176.30 2cph s ARG 534 N -2.68 3.83 0.39 3.54 6.06 -1.26 -0.32 118.95 128.52 2cph s ARG 534 Ca -0.04 -0.38 -0.10 0.00 -2.50 0.00 0.00 55.73 52.70 2cph s ARG 534 Cb -0.01 -3.51 -0.06 0.00 0.06 0.00 0.00 34.95 31.42 2cph s ARG 534 CO -0.05 -0.17 0.76 -0.51 -2.50 0.00 0.00 175.30 172.82 2cph s LEU 535 N 1.66 3.86 -0.12 -0.88 1.43 -0.56 -4.88 118.68 119.19 2cph s LEU 535 Ca 0.07 1.12 0.02 0.00 -1.03 0.00 0.00 54.13 54.30 2cph s LEU 535 Cb -0.16 -3.99 -0.01 0.00 0.03 0.00 0.00 46.19 42.07 2cph s LEU 535 CO 0.08 -0.38 -0.19 -0.69 0.23 0.00 0.00 176.35 175.40 2cph s VAL 536 N -2.33 2.52 -0.18 -1.59 1.01 -0.69 -4.62 120.40 114.52 2cph s VAL 536 Ca 0.51 -0.85 -0.04 0.00 0.00 0.00 0.00 61.98 61.60 2cph s VAL 536 Cb -0.10 -2.02 -0.02 0.00 0.00 0.00 0.00 36.38 34.24 2cph s VAL 536 CO 0.30 0.54 -0.04 -0.76 0.00 0.00 0.00 175.10 175.15 2cph s LEU 537 N 0.43 3.11 -0.03 3.92 1.02 -1.26 -0.27 118.68 125.60 2cph s LEU 537 Ca -0.14 -0.24 -0.02 0.00 0.02 0.00 0.00 54.13 53.76 2cph s LEU 537 Cb -0.17 -1.77 0.02 0.00 0.02 0.00 0.00 46.19 44.30 2cph s LEU 537 CO 0.06 0.09 0.08 -1.61 0.02 0.00 0.00 176.35 174.99 2cph s GLU 538 N 0.83 0.04 -0.17 1.70 0.41 -0.98 -4.98 118.70 115.56 2cph s GLU 538 Ca -0.01 0.20 -0.29 0.00 -0.41 0.00 0.00 54.97 54.46 2cph s GLU 538 Cb -0.15 -0.12 -0.04 0.00 -1.78 0.00 0.00 34.13 32.05 2cph s GLU 538 CO 0.02 -0.11 1.72 -1.58 -0.49 0.00 0.00 175.26 174.82 2cph s TRP 539 N 0.70 1.90 0.46 1.61 0.52 -1.26 -2.44 118.94 120.44 2cph s TRP 539 Ca -0.06 0.39 -0.23 0.00 0.02 0.00 0.00 56.10 56.22 2cph s TRP 539 Cb -0.08 -3.99 -0.09 0.00 -1.15 0.00 0.00 33.47 28.16 2cph s TRP 539 CO -0.03 -3.47 0.96 0.00 0.02 0.00 0.00 176.95 174.44 2cph n ALA 540 N 8.48 0.07 -2.70 0.98 0.00 -1.11 -4.94 120.51 121.29 2cph n ALA 540 Ca 0.20 0.17 -0.39 0.00 0.00 0.00 0.00 53.44 53.42 2cph n ALA 540 Cb 0.44 -2.06 -0.05 0.00 0.00 0.00 0.00 19.45 17.78 2cph n ALA 540 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2cph s ASP 541 N -0.85 6.81 -0.10 0.00 -4.77 -1.26 -4.91 116.67 111.58 2cph s ASP 541 Ca 0.66 0.97 -0.03 0.00 -3.30 0.00 0.00 52.55 50.85 2cph s ASP 541 Cb -0.53 -2.36 -0.03 0.00 -1.09 0.00 0.00 42.92 38.91 2cph s ASP 541 CO 0.55 -0.14 0.01 -0.55 0.70 0.00 0.00 175.17 175.74 2cph s SER 542 N 0.89 5.31 -0.06 2.11 0.15 -1.26 -5.09 113.70 115.75 2cph s SER 542 Ca 0.32 0.14 -0.30 0.00 0.70 0.00 0.00 55.95 56.81 2cph s SER 542 Cb -0.16 -1.57 -0.02 0.00 -1.71 0.00 0.00 66.02 62.55 2cph s SER 542 CO 0.13 0.35 1.01 -0.70 1.20 0.00 0.00 173.24 175.23 2cph s GLU 543 N -0.70 4.47 0.33 5.44 -6.30 -1.26 -5.00 118.70 115.69 2cph s GLU 543 Ca 0.11 1.43 -0.29 0.00 -2.50 0.00 0.00 54.97 53.72 2cph s GLU 543 Cb -0.12 -3.50 -0.11 0.00 0.00 0.00 0.00 34.13 30.40 2cph s GLU 543 CO 0.02 -0.21 1.42 0.14 0.02 0.00 0.00 175.26 176.65 2cph s VAL 544 N 1.60 2.38 0.40 3.70 -7.23 -1.26 -5.02 120.40 114.96 2cph s VAL 544 Ca 0.50 0.37 0.08 0.00 -1.81 0.00 0.00 61.98 61.12 2cph s VAL 544 Cb -0.20 -3.24 -0.01 0.00 0.56 0.00 0.00 36.38 33.49 2cph s VAL 544 CO 0.22 0.08 0.41 0.42 -0.31 0.00 0.00 175.10 175.93 2cph s THR 545 N -0.87 2.99 0.22 5.32 -4.23 -1.26 -5.13 115.64 112.68 2cph s THR 545 Ca 0.53 -1.25 0.06 0.00 -1.18 0.00 0.00 61.69 59.85 2cph s THR 545 Cb -0.43 -3.06 -0.03 0.00 1.34 0.00 0.00 72.50 70.31 2cph s THR 545 CO 0.55 -0.04 0.23 0.68 -0.54 0.00 0.00 174.62 175.50 2cph s VAL 546 N -2.39 4.72 -0.30 2.29 -7.23 -1.26 -5.10 120.40 111.12 2cph s VAL 546 Ca 0.48 -1.18 -0.00 0.00 -1.81 0.00 0.00 61.98 59.47 2cph s VAL 546 Cb -0.06 -3.51 0.09 0.00 0.56 0.00 0.00 36.38 33.46 2cph s VAL 546 CO 0.29 -0.27 0.08 -1.58 -0.31 0.00 0.00 175.10 173.30 2cph s GLN 547 N -3.67 0.85 -0.09 4.82 0.74 -1.26 -5.10 119.66 115.94 2cph s GLN 547 Ca 0.33 -1.11 -0.11 0.00 0.05 0.00 0.00 55.36 54.52 2cph s GLN 547 Cb -0.09 -2.17 0.03 0.00 1.10 0.00 0.00 33.01 31.88 2cph s GLN 547 CO 0.26 -0.93 0.29 -1.54 -0.55 0.00 0.00 175.29 172.82 2cph s SER 548 N 1.54 -0.27 0.00 6.67 1.04 -1.26 -5.07 113.70 116.35 2cph s SER 548 Ca 0.08 0.46 0.00 0.00 0.48 0.00 0.00 55.95 56.97 2cph s SER 548 Cb -0.17 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.48 2cph s SER 548 CO -0.21 -0.18 0.00 0.61 0.98 0.00 0.00 173.24 174.44 2cph n GLY 549 N 2.52 -0.10 3.65 7.32 0.00 -1.26 -5.17 105.19 112.15 2cph n GLY 549 Ca -0.15 -0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 2cph n GLY 549 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cph s PRO 550 N 0.00 -0.18 -0.08 1.61 0.04 -1.26 -5.09 135.00 130.05 2cph s PRO 550 Ca 0.00 0.31 -0.08 0.00 0.04 0.00 0.00 61.00 61.27 2cph s PRO 550 Cb 0.00 -1.68 0.02 0.00 0.04 0.00 0.00 34.50 32.88 2cph s PRO 550 CO 0.00 -3.09 0.22 -1.54 0.04 0.00 0.00 177.00 172.63 2cph s SER 551 N -3.59 -0.21 0.19 6.66 1.04 -1.26 -5.05 113.70 111.47 2cph s SER 551 Ca 0.67 0.39 -0.13 0.00 0.48 0.00 0.00 55.95 57.36 2cph s SER 551 Cb -0.16 0.43 0.18 0.00 0.10 0.00 0.00 66.02 66.58 2cph s SER 551 CO 0.57 -0.11 1.70 0.77 0.98 0.00 0.00 173.24 177.15 2cph h SER 552 N 5.62 -0.10 -0.00 7.02 4.64 -2.10 -3.58 113.55 125.05 2cph h SER 552 Ca -0.26 0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 2cph h SER 552 Cb 1.19 0.16 0.00 0.00 -0.31 0.00 0.00 62.40 63.44 2cph h SER 552 CO 0.37 -0.02 0.00 0.61 -0.87 0.00 0.00 176.83 176.92