#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2khc h ALA 481 N 0.00 2.02 0.00 0.00 0.00 -2.13 -3.46 119.26 115.69 2khc h ALA 481 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2khc h ALA 481 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2khc h ALA 481 CO 0.00 -0.02 0.00 0.41 0.00 0.00 0.00 179.25 179.64 2khc n GLY 482 N -1.54 1.42 2.95 0.00 0.00 -1.26 -5.07 105.19 101.68 2khc n GLY 482 Ca -0.02 -0.28 -0.31 0.00 0.00 0.00 0.00 46.02 45.41 2khc n GLY 482 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2khc s LEU 483 N 0.00 4.18 0.26 0.99 2.96 -1.26 -5.11 118.68 120.69 2khc s LEU 483 Ca 0.00 -2.26 0.03 0.00 -0.22 0.00 0.00 54.13 51.69 2khc s LEU 483 Cb 0.00 -1.48 -0.03 0.00 0.50 0.00 0.00 46.19 45.18 2khc s LEU 483 CO 0.00 -0.35 0.40 -2.16 -1.32 0.00 0.00 176.35 172.92 2khc s PRO 484 N 0.77 3.46 -0.24 0.98 0.04 -1.26 -5.10 135.00 133.65 2khc s PRO 484 Ca 0.12 -0.62 -0.08 0.00 0.04 0.00 0.00 61.00 60.46 2khc s PRO 484 Cb -0.20 -2.84 -0.04 0.00 0.04 0.00 0.00 34.50 31.46 2khc s PRO 484 CO -0.09 0.37 0.09 -1.14 0.04 0.00 0.00 177.00 176.27 2khc s GLN 485 N -3.96 3.79 0.37 4.56 0.74 -1.26 -5.09 119.66 118.82 2khc s GLN 485 Ca 0.36 -0.41 0.00 0.00 0.05 0.00 0.00 55.36 55.36 2khc s GLN 485 Cb -0.09 -3.35 -0.00 0.00 1.10 0.00 0.00 33.01 30.66 2khc s GLN 485 CO 0.31 -0.06 0.01 1.97 -0.55 0.00 0.00 175.29 176.96 2khc n PHE 486 N 4.57 0.82 0.00 1.67 -1.74 -1.26 -4.85 117.46 116.67 2khc n PHE 486 Ca -0.16 -1.87 0.00 0.00 -0.56 0.00 0.00 57.45 54.86 2khc n PHE 486 Cb 0.52 -0.23 0.00 0.00 1.52 0.00 0.00 39.48 41.29 2khc n PHE 486 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 2khc n GLY 487 N 0.45 2.01 3.21 4.97 0.00 -1.26 -5.05 105.19 109.51 2khc n GLY 487 Ca -0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.63 2khc n GLY 487 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2khc s SER 488 N -0.15 2.24 -0.15 1.61 0.15 -1.26 -5.11 113.70 111.03 2khc s SER 488 Ca 0.00 -0.45 -0.29 0.00 0.70 0.00 0.00 55.95 55.91 2khc s SER 488 Cb 0.00 -0.20 -0.01 0.00 -1.71 0.00 0.00 66.02 64.10 2khc s SER 488 CO 0.00 0.16 1.12 0.00 1.20 0.00 0.00 173.24 175.72 2khc s ALA 489 N -0.68 3.58 0.47 5.45 0.00 -1.26 -5.03 121.76 124.29 2khc s ALA 489 Ca 0.06 0.37 -0.00 0.00 0.00 0.00 0.00 51.96 52.39 2khc s ALA 489 Cb -0.08 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.51 2khc s ALA 489 CO 0.01 -0.93 0.70 -1.12 0.00 0.00 0.00 175.76 174.42 2khc s SER 490 N 1.42 5.75 0.28 0.00 0.01 -1.26 -5.07 113.70 114.83 2khc s SER 490 Ca 0.50 0.30 -0.28 0.00 1.31 0.00 0.00 55.95 57.77 2khc s SER 490 Cb -0.19 -1.48 -0.09 0.00 0.21 0.00 0.00 66.02 64.46 2khc s SER 490 CO 0.14 -0.78 0.99 0.00 0.41 0.00 0.00 173.24 173.99 2khc s ALA 491 N -2.62 3.30 -0.39 1.44 0.00 -1.26 -5.03 121.76 117.20 2khc s ALA 491 Ca 0.50 0.66 -0.09 0.00 0.00 0.00 0.00 51.96 53.03 2khc s ALA 491 Cb -0.10 -3.23 0.06 0.00 0.00 0.00 0.00 23.12 19.84 2khc s ALA 491 CO 0.39 0.08 0.21 -0.51 0.00 0.00 0.00 175.76 175.93 2khc s LEU 492 N -1.59 4.87 0.70 0.00 1.43 -1.26 -5.09 118.68 117.74 2khc s LEU 492 Ca 0.46 -1.30 -0.10 0.00 -1.03 0.00 0.00 54.13 52.16 2khc s LEU 492 Cb -0.25 -1.97 0.02 0.00 0.03 0.00 0.00 46.19 44.02 2khc s LEU 492 CO 0.32 -0.45 1.06 -0.55 0.23 0.00 0.00 176.35 176.95 2khc s SER 493 N 1.81 5.31 0.38 2.29 0.15 -1.26 -5.08 113.70 117.31 2khc s SER 493 Ca 0.02 0.95 -0.02 0.00 0.70 0.00 0.00 55.95 57.61 2khc s SER 493 Cb -0.21 -1.74 -0.04 0.00 -1.71 0.00 0.00 66.02 62.32 2khc s SER 493 CO 0.03 -1.37 0.61 0.42 1.20 0.00 0.00 173.24 174.13 2khc s THR 494 N -3.30 5.04 0.08 6.45 -4.23 -1.26 -5.12 115.64 113.30 2khc s THR 494 Ca 0.58 -0.23 0.03 0.00 -1.18 0.00 0.00 61.69 60.89 2khc s THR 494 Cb -0.11 -3.85 -0.03 0.00 1.34 0.00 0.00 72.50 69.85 2khc s THR 494 CO 0.50 -0.61 -0.10 -0.44 -0.54 0.00 0.00 174.62 173.43 2khc s SER 495 N -3.96 1.29 0.67 3.99 0.01 -1.26 -5.03 113.70 109.40 2khc s SER 495 Ca 0.42 -0.73 0.37 0.00 1.31 0.00 0.00 55.95 57.32 2khc s SER 495 Cb -0.10 0.02 2.02 0.00 0.21 0.00 0.00 66.02 68.16 2khc s SER 495 CO 0.38 -0.24 2.14 -0.65 0.41 0.00 0.00 173.24 175.28 2khc h PRO 496 N 3.86 0.00 -1.11 12.44 0.11 -2.05 -2.55 132.00 142.70 2khc h PRO 496 Ca -0.37 0.00 0.31 0.00 0.11 0.00 0.00 66.00 66.05 2khc h PRO 496 Cb 1.19 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.20 2khc h PRO 496 CO 0.49 0.00 0.72 1.25 -0.21 0.00 0.00 178.00 180.25 2khc h LEU 497 N 0.00 0.38 -0.34 2.35 5.85 -2.04 -3.47 115.31 118.04 2khc h LEU 497 Ca 0.00 0.09 0.35 0.00 0.84 0.00 0.00 57.88 59.17 2khc h LEU 497 Cb 0.35 0.04 -0.12 0.00 0.37 0.00 0.00 40.66 41.30 2khc h LEU 497 CO -0.00 0.02 -0.69 0.00 -0.34 0.00 0.00 178.44 177.43 2khc n ALA 498 N -2.50 -3.66 -2.80 1.25 0.00 -0.96 -4.98 120.51 106.86 2khc n ALA 498 Ca 0.28 0.56 -0.04 0.00 0.00 0.00 0.00 53.44 54.23 2khc n ALA 498 Cb 1.02 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 19.15 2khc n ALA 498 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2khc n SER 499 N -4.32 -7.93 -4.33 0.00 2.88 -1.26 -5.02 113.62 93.64 2khc n SER 499 Ca -0.02 1.03 -0.32 0.00 -1.33 0.00 0.00 58.87 58.23 2khc n SER 499 Cb 0.66 -5.18 -0.15 0.00 -0.75 0.00 0.00 64.21 58.79 2khc n SER 499 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2khc s VAL 500 N -1.99 2.53 -0.08 2.46 1.01 -1.26 -5.10 120.40 117.97 2khc s VAL 500 Ca 0.10 -0.88 -0.30 0.00 0.00 0.00 0.00 61.98 60.91 2khc s VAL 500 Cb -0.03 -1.98 -0.03 0.00 0.00 0.00 0.00 36.38 34.34 2khc s VAL 500 CO 0.76 0.56 1.26 0.00 0.00 0.00 0.00 175.10 177.67 2khc s ALA 501 N -0.03 3.56 -0.19 5.51 0.00 -1.26 -5.02 121.76 124.33 2khc s ALA 501 Ca -0.06 0.62 -0.09 0.00 0.00 0.00 0.00 51.96 52.43 2khc s ALA 501 Cb -0.15 -3.56 -0.05 0.00 0.00 0.00 0.00 23.12 19.37 2khc s ALA 501 CO 0.05 -0.91 0.12 -1.17 0.00 0.00 0.00 175.76 173.84 2khc s LEU 502 N 2.64 4.14 0.04 0.00 2.96 -1.26 -5.09 118.68 122.11 2khc s LEU 502 Ca 0.57 0.23 0.03 0.00 -0.22 0.00 0.00 54.13 54.74 2khc s LEU 502 Cb -0.25 -2.06 -0.02 0.00 0.50 0.00 0.00 46.19 44.36 2khc s LEU 502 CO 0.21 0.21 -0.11 -0.55 -1.32 0.00 0.00 176.35 174.79 2khc s SER 503 N 0.19 1.23 0.02 3.68 0.15 -1.26 -5.14 113.70 112.57 2khc s SER 503 Ca 0.08 -0.45 -0.20 0.00 0.70 0.00 0.00 55.95 56.07 2khc s SER 503 Cb -0.11 -0.04 -0.06 0.00 -1.71 0.00 0.00 66.02 64.10 2khc s SER 503 CO -0.01 -0.06 0.60 0.00 1.20 0.00 0.00 173.24 174.97 2khc s ALA 504 N -0.97 3.51 0.05 5.45 0.00 -1.26 -5.08 121.76 123.45 2khc s ALA 504 Ca -0.03 0.04 0.08 0.00 0.00 0.00 0.00 51.96 52.05 2khc s ALA 504 Cb -0.08 -2.73 -0.03 0.00 0.00 0.00 0.00 23.12 20.29 2khc s ALA 504 CO 0.01 0.22 -0.23 0.00 0.00 0.00 0.00 175.76 175.76 2khc s ALA 505 N -0.41 1.93 -0.68 0.00 0.00 -1.26 -5.10 121.76 116.24 2khc s ALA 505 Ca 0.31 -1.14 -0.09 0.00 0.00 0.00 0.00 51.96 51.04 2khc s ALA 505 Cb -0.19 -0.38 0.18 0.00 0.00 0.00 0.00 23.12 22.73 2khc s ALA 505 CO 0.18 0.44 0.56 0.00 0.00 0.00 0.00 175.76 176.94 2khc s ALA 506 N -0.81 3.76 0.67 0.00 0.00 -1.26 -5.07 121.76 119.05 2khc s ALA 506 Ca 0.09 -3.16 -0.17 0.00 0.00 0.00 0.00 51.96 48.71 2khc s ALA 506 Cb -0.09 -3.05 0.00 0.00 0.00 0.00 0.00 23.12 19.98 2khc s ALA 506 CO 0.02 -2.14 1.29 0.00 0.00 0.00 0.00 175.76 174.92 2khc s ALA 507 N 0.27 2.30 -0.66 0.00 0.00 -1.26 -4.98 121.76 117.43 2khc s ALA 507 Ca 0.15 1.17 -0.01 0.00 0.00 0.00 0.00 51.96 53.28 2khc s ALA 507 Cb -0.17 -3.55 0.17 0.00 0.00 0.00 0.00 23.12 19.57 2khc s ALA 507 CO -0.05 -1.70 0.48 0.00 0.00 0.00 0.00 175.76 174.48 2khc s ALA 508 N -1.49 3.67 -0.13 0.00 0.00 -1.26 -5.07 121.76 117.49 2khc s ALA 508 Ca 0.82 -3.41 -0.04 0.00 0.00 0.00 0.00 51.96 49.33 2khc s ALA 508 Cb -0.37 -2.59 -0.03 0.00 0.00 0.00 0.00 23.12 20.13 2khc s ALA 508 CO 0.41 -2.11 0.00 0.00 0.00 0.00 0.00 175.76 174.07 2khc s ALA 509 N -0.41 3.22 -0.27 0.00 0.00 -1.26 -5.09 121.76 117.94 2khc s ALA 509 Ca 0.19 -0.80 -0.12 0.00 0.00 0.00 0.00 51.96 51.23 2khc s ALA 509 Cb -0.18 -1.59 -0.05 0.00 0.00 0.00 0.00 23.12 21.30 2khc s ALA 509 CO -0.05 0.39 0.25 0.00 0.00 0.00 0.00 175.76 176.35 2khc s ALA 510 N -0.23 3.55 0.42 0.00 0.00 -1.22 -4.70 121.76 119.57 2khc s ALA 510 Ca 0.06 -0.98 0.37 0.00 0.00 0.00 0.00 51.96 51.41 2khc s ALA 510 Cb -0.12 -2.55 1.34 0.00 0.00 0.00 0.00 23.12 21.78 2khc s ALA 510 CO 0.02 -0.57 1.23 0.41 0.00 0.00 0.00 175.76 176.85 2khc n GLY 511 N 4.89 -0.76 0.00 0.00 0.00 0.33 -4.66 105.19 104.99 2khc n GLY 511 Ca -0.12 0.56 0.00 0.00 0.00 0.00 0.00 46.02 46.46 2khc n GLY 511 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2khc n LYS 512 N -3.66 0.00 -0.95 1.61 4.76 -1.25 -4.73 118.16 113.94 2khc n LYS 512 Ca 0.35 0.00 -0.37 0.00 -2.87 0.00 0.00 58.31 55.42 2khc n LYS 512 Cb 1.53 0.00 0.05 0.00 -1.84 0.00 0.00 35.03 34.78 2khc n LYS 512 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97 2khc n GLN 513 N 0.00 -0.16 -0.65 1.97 -0.06 -0.39 -4.46 117.38 113.64 2khc n GLN 513 Ca 0.00 -0.04 -0.28 0.00 -2.00 0.00 0.00 57.00 54.68 2khc n GLN 513 Cb 0.00 -1.14 0.24 0.00 -4.06 0.00 0.00 30.24 25.29 2khc n GLN 513 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 2khc s ILE 514 N -2.06 2.01 0.76 1.69 -1.09 -1.26 -3.90 121.20 117.35 2khc s ILE 514 Ca 0.41 0.00 -0.13 0.00 -2.23 0.00 0.00 60.65 58.71 2khc s ILE 514 Cb -0.07 -2.14 0.05 0.00 -1.58 0.00 0.00 42.46 38.73 2khc s ILE 514 CO 0.74 -0.00 1.15 -1.61 -1.23 0.00 0.00 174.94 173.98 2khc s GLU 515 N -4.54 2.10 0.00 2.79 0.41 -1.26 -4.41 118.70 113.78 2khc s GLU 515 Ca 0.68 1.52 0.00 0.00 -0.41 0.00 0.00 54.97 56.76 2khc s GLU 515 Cb -0.24 -1.85 0.00 0.00 -1.78 0.00 0.00 34.13 30.26 2khc s GLU 515 CO 0.64 -1.82 0.00 0.41 -0.49 0.00 0.00 175.26 174.00 2khc n GLY 516 N -0.17 3.76 3.65 -1.39 0.00 -1.26 -5.06 105.19 104.72 2khc n GLY 516 Ca 0.12 -1.47 -0.42 0.00 0.00 0.00 0.00 46.02 44.24 2khc n GLY 516 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2khc s PRO 517 N -1.48 3.97 0.98 1.61 0.04 -1.26 -4.86 135.00 134.01 2khc s PRO 517 Ca 0.00 2.39 -0.12 0.00 0.04 0.00 0.00 61.00 63.30 2khc s PRO 517 Cb 0.00 -4.16 0.18 0.00 0.04 0.00 0.00 34.50 30.56 2khc s PRO 517 CO 0.00 -1.14 1.11 -1.21 0.04 0.00 0.00 177.00 175.80 2khc s GLU 518 N 4.69 0.55 0.00 4.56 2.02 -1.26 -3.86 118.70 125.40 2khc s GLU 518 Ca 0.87 0.42 0.00 0.00 0.02 0.00 0.00 54.97 56.28 2khc s GLU 518 Cb -0.38 -1.76 0.00 0.00 0.10 0.00 0.00 34.13 32.09 2khc s GLU 518 CO 0.38 -2.63 0.00 0.41 0.02 0.00 0.00 175.26 173.44 2khc n GLY 519 N -1.41 1.08 1.03 -1.39 0.00 -1.26 -4.94 105.19 98.31 2khc n GLY 519 Ca 0.05 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.08 2khc n GLY 519 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2khc s ASN 521 N -3.12 6.35 -0.00 0.00 0.01 -0.70 -2.28 114.94 115.20 2khc s ASN 521 Ca 0.39 0.34 0.01 0.00 -0.71 0.00 0.00 52.86 52.89 2khc s ASN 521 Cb 0.38 -1.98 -0.00 0.00 0.41 0.00 0.00 41.25 40.05 2khc s ASN 521 CO -0.07 -0.09 -0.04 -0.22 -1.51 0.00 0.00 177.10 175.17 2khc s LEU 522 N -3.63 2.01 -0.19 0.60 0.20 -0.95 -1.67 118.68 115.06 2khc s LEU 522 Ca 0.38 -0.07 0.01 0.00 0.69 0.00 0.00 54.13 55.14 2khc s LEU 522 Cb -0.10 -0.19 0.03 0.00 -0.43 0.00 0.00 46.19 45.50 2khc s LEU 522 CO 0.30 0.04 -0.16 0.12 -0.29 0.00 0.00 176.35 176.36 2khc s PHE 523 N -0.10 2.66 0.10 5.38 2.19 -0.83 -1.80 117.98 125.57 2khc s PHE 523 Ca 0.01 -1.63 0.10 0.00 0.33 0.00 0.00 56.93 55.74 2khc s PHE 523 Cb -0.02 -1.81 -0.04 0.00 -1.31 0.00 0.00 43.02 39.85 2khc s PHE 523 CO -0.00 -0.78 -0.26 0.96 1.83 0.00 0.00 175.22 176.97 2khc s ILE 524 N 1.32 2.17 -0.32 3.12 -0.00 -0.90 -1.98 121.20 124.62 2khc s ILE 524 Ca 0.02 -1.63 0.00 0.00 -0.00 0.00 0.00 60.65 59.05 2khc s ILE 524 Cb -0.14 -1.90 0.14 0.00 -0.00 0.00 0.00 42.46 40.55 2khc s ILE 524 CO -0.11 0.16 0.30 -0.72 -0.00 0.00 0.00 174.94 174.57 2khc s TYR 525 N -0.99 -0.26 0.00 1.37 1.13 -0.90 -1.54 117.35 116.15 2khc s TYR 525 Ca 0.13 -0.54 0.00 0.00 -1.41 0.00 0.00 57.07 55.25 2khc s TYR 525 Cb -0.10 -0.51 0.00 0.00 -1.10 0.00 0.00 41.96 40.25 2khc s TYR 525 CO 0.05 -0.92 0.00 1.58 -2.51 0.00 0.00 175.55 173.74 2khc n HIS 526 N 4.88 0.00 -4.34 -3.49 -0.00 -0.38 -3.97 115.22 107.92 2khc n HIS 526 Ca 0.03 0.00 -0.25 0.00 0.46 0.00 0.00 57.72 57.96 2khc n HIS 526 Cb 0.45 0.00 -0.09 0.00 -0.12 0.00 0.00 29.99 30.23 2khc n HIS 526 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 2khc s LEU 527 N -3.87 2.95 0.93 0.27 1.43 0.38 -3.85 118.68 116.91 2khc s LEU 527 Ca 0.00 -0.72 -0.16 0.00 -1.03 0.00 0.00 54.13 52.22 2khc s LEU 527 Cb 0.00 -1.53 0.02 0.00 0.03 0.00 0.00 46.19 44.71 2khc s LEU 527 CO 0.00 0.05 -0.35 -0.81 0.23 0.00 0.00 176.35 175.47 2khc n PRO 528 N -0.47 -1.03 0.17 1.29 -0.04 -1.26 0.02 135.00 133.68 2khc n PRO 528 Ca -0.08 -0.30 0.16 0.00 -0.04 0.00 0.00 63.50 63.25 2khc n PRO 528 Cb 0.58 -1.29 0.60 0.00 -0.04 0.00 0.00 33.50 33.36 2khc n PRO 528 CO 0.00 0.00 0.00 -0.56 -0.04 0.00 0.00 175.50 174.90 2khc h GLN 529 N -1.94 0.00 0.00 0.54 3.07 -1.80 0.68 115.11 115.66 2khc h GLN 529 Ca -0.30 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.44 2khc h GLN 529 Cb 0.91 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.47 2khc h GLN 529 CO 0.19 0.00 0.00 0.39 0.09 0.00 0.00 178.83 179.50 2khc n GLU 530 N -3.14 0.10 -2.27 0.06 1.02 -1.26 -4.64 120.64 110.49 2khc n GLU 530 Ca 0.05 0.38 -0.43 0.00 -0.02 0.00 0.00 57.16 57.14 2khc n GLU 530 Cb 0.74 -1.70 -0.02 0.00 -0.02 0.00 0.00 31.44 30.43 2khc n GLU 530 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 2khc s PHE 531 N -3.18 2.41 0.06 -0.32 5.36 0.23 -5.00 117.98 117.54 2khc s PHE 531 Ca 0.04 0.71 0.01 0.00 -0.96 0.00 0.00 56.93 56.74 2khc s PHE 531 Cb 0.08 -3.94 -0.04 0.00 -0.34 0.00 0.00 43.02 38.78 2khc s PHE 531 CO 0.29 -2.30 0.14 0.99 -1.46 0.00 0.00 175.22 172.88 2khc s THR 532 N 4.75 4.95 0.21 0.12 2.01 -1.26 -4.74 115.64 121.68 2khc s THR 532 Ca 0.63 -0.54 0.17 0.00 0.31 0.00 0.00 61.69 62.27 2khc s THR 532 Cb -0.21 -3.38 0.11 0.00 0.01 0.00 0.00 72.50 69.03 2khc s THR 532 CO 0.26 0.17 1.73 -2.24 -0.69 0.00 0.00 174.62 173.85 2khc h ASP 533 N 3.34 0.00 0.17 3.53 3.04 -1.89 -3.21 116.42 121.39 2khc h ASP 533 Ca -0.46 0.00 -0.06 0.00 -3.24 0.00 0.00 57.03 53.27 2khc h ASP 533 Cb 1.17 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.45 2khc h ASP 533 CO 0.70 0.41 -0.22 0.00 -2.04 0.00 0.00 179.24 178.08 2khc h THR 534 N 0.00 1.19 -0.19 1.15 1.03 -1.91 -2.34 112.91 111.85 2khc h THR 534 Ca -0.00 -0.88 -0.03 0.00 -0.01 0.00 0.00 66.41 65.48 2khc h THR 534 Cb 0.89 1.39 -0.01 0.00 -1.07 0.00 0.00 68.15 69.36 2khc h THR 534 CO 0.05 0.26 -0.01 -0.78 -0.01 0.00 0.00 175.52 175.04 2khc h ASP 535 N 0.09 0.33 -0.08 0.00 3.58 -1.96 -2.23 116.42 116.16 2khc h ASP 535 Ca 0.02 -0.32 -0.00 0.00 0.42 0.00 0.00 57.03 57.14 2khc h ASP 535 Cb 0.45 -0.09 -0.00 0.00 1.72 0.00 0.00 39.33 41.40 2khc h ASP 535 CO 0.03 0.57 0.03 0.17 -2.88 0.00 0.00 179.24 177.16 2khc h LEU 536 N 0.08 0.11 -0.32 2.28 8.10 -1.68 -2.43 115.31 121.45 2khc h LEU 536 Ca 0.05 -0.17 0.06 0.00 0.11 0.00 0.00 57.88 57.94 2khc h LEU 536 Cb 0.41 -0.03 -0.06 0.00 -0.44 0.00 0.00 40.66 40.54 2khc h LEU 536 CO 0.01 0.25 -0.09 0.00 -4.11 0.00 0.00 178.44 174.51 2khc h ALA 537 N 0.86 0.21 -0.59 0.17 0.00 -1.44 -2.22 119.26 116.25 2khc h ALA 537 Ca 0.03 0.13 0.06 0.00 0.00 0.00 0.00 54.91 55.12 2khc h ALA 537 Cb 0.18 0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 2khc h ALA 537 CO -0.00 -0.47 0.30 1.03 0.00 0.00 0.00 179.25 180.11 2khc h SER 538 N -0.01 0.42 0.66 0.00 0.87 -1.33 -0.22 113.55 113.94 2khc h SER 538 Ca 0.16 0.04 -0.03 0.00 -1.23 0.00 0.00 61.79 60.72 2khc h SER 538 Cb 0.24 -0.04 0.01 0.00 -0.44 0.00 0.00 62.40 62.17 2khc h SER 538 CO -0.34 0.28 -0.32 0.74 -0.53 0.00 0.00 176.83 176.66 2khc h THR 539 N 0.56 0.35 0.00 2.23 2.02 -0.91 -2.88 112.91 114.28 2khc h THR 539 Ca 0.27 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.43 2khc h THR 539 Cb 0.19 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 66.96 2khc h THR 539 CO -0.19 0.00 0.00 2.22 0.37 0.00 0.00 175.52 177.92 2khc n PHE 540 N -5.47 0.00 -0.48 3.16 1.16 -0.91 -4.63 117.46 110.29 2khc n PHE 540 Ca -0.13 0.00 0.38 0.00 -1.87 0.00 0.00 57.45 55.82 2khc n PHE 540 Cb 0.36 -0.10 0.60 0.00 -1.61 0.00 0.00 39.48 38.73 2khc n PHE 540 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 2khc n LEU 541 N -1.10 0.08 -0.61 5.98 4.77 -0.10 0.88 117.00 126.90 2khc n LEU 541 Ca 0.16 0.95 0.47 0.00 -0.03 0.00 0.00 56.01 57.55 2khc n LEU 541 Cb 0.12 -0.47 0.72 0.00 -2.33 0.00 0.00 43.42 41.46 2khc n LEU 541 CO 0.15 -1.00 1.31 -2.65 -1.33 0.00 0.00 177.39 173.88 2khc n PRO 542 N -3.90 -0.01 -0.17 3.23 -0.02 -1.26 -2.47 135.00 130.39 2khc n PRO 542 Ca 0.34 1.00 0.00 0.00 -2.02 0.00 0.00 63.50 62.82 2khc n PRO 542 Cb 1.44 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 32.66 2khc n PRO 542 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 2khc n PHE 543 N -3.86 0.00 0.00 6.00 1.16 0.25 -4.69 117.46 116.32 2khc n PHE 543 Ca 0.40 -0.26 0.00 0.00 -1.87 0.00 0.00 57.45 55.72 2khc n PHE 543 Cb 1.77 -0.44 0.00 0.00 -1.61 0.00 0.00 39.48 39.20 2khc n PHE 543 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2khc n GLY 544 N 3.26 0.00 3.31 4.97 0.00 -1.03 -4.05 105.19 111.65 2khc n GLY 544 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 46.02 45.46 2khc n GLY 544 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2khc n ASN 545 N 0.00 0.82 -4.43 1.61 4.13 -0.68 -4.79 115.26 111.91 2khc n ASN 545 Ca 0.00 0.57 -0.40 0.00 1.68 0.00 0.00 54.58 56.43 2khc n ASN 545 Cb 0.00 -0.94 -0.11 0.00 -1.54 0.00 0.00 39.78 37.19 2khc n ASN 545 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 2khc s VAL 546 N 6.64 4.78 -0.32 2.41 -7.23 -1.26 -1.86 120.40 123.57 2khc s VAL 546 Ca 1.21 -0.57 0.02 0.00 -1.81 0.00 0.00 61.98 60.83 2khc s VAL 546 Cb -1.39 -3.55 0.08 0.00 0.56 0.00 0.00 36.38 32.08 2khc s VAL 546 CO 0.61 -0.10 0.01 -0.63 -0.31 0.00 0.00 175.10 174.69 2khc s ILE 547 N 1.62 2.51 0.01 -0.62 -1.09 -0.88 -1.26 121.20 121.49 2khc s ILE 547 Ca 0.04 -1.91 0.06 0.00 -2.23 0.00 0.00 60.65 56.60 2khc s ILE 547 Cb -0.18 -2.65 -0.03 0.00 -1.58 0.00 0.00 42.46 38.02 2khc s ILE 547 CO 0.07 -0.35 -0.17 -0.94 -1.23 0.00 0.00 174.94 172.33 2khc s SER 548 N 1.16 3.86 0.14 3.58 1.04 -1.26 -1.35 113.70 120.87 2khc s SER 548 Ca 0.01 -0.34 0.01 0.00 0.48 0.00 0.00 55.95 56.11 2khc s SER 548 Cb -0.20 -0.69 -0.04 0.00 0.10 0.00 0.00 66.02 65.19 2khc s SER 548 CO -0.05 0.29 -0.01 0.00 0.98 0.00 0.00 173.24 174.44 2khc s ALA 549 N -0.85 1.13 0.05 5.32 0.00 -0.90 0.12 121.76 126.63 2khc s ALA 549 Ca 0.14 -1.48 0.03 0.00 0.00 0.00 0.00 51.96 50.64 2khc s ALA 549 Cb -0.11 0.46 -0.02 0.00 0.00 0.00 0.00 23.12 23.45 2khc s ALA 549 CO 0.04 -0.32 -0.09 -1.59 0.00 0.00 0.00 175.76 173.80 2khc s LYS 550 N -3.91 0.58 -0.33 0.00 -2.85 -1.14 -2.10 119.74 110.00 2khc s LYS 550 Ca 0.20 -0.79 0.01 0.00 -1.00 0.00 0.00 55.97 54.38 2khc s LYS 550 Cb 0.06 -0.40 0.10 0.00 -2.06 0.00 0.00 37.83 35.53 2khc s LYS 550 CO 0.00 0.08 0.09 0.54 0.10 0.00 0.00 175.35 176.16 2khc s VAL 551 N -1.34 1.31 -0.01 1.79 0.11 -0.72 -4.87 120.40 116.67 2khc s VAL 551 Ca -0.08 -1.73 -0.22 0.00 -2.93 0.00 0.00 61.98 57.01 2khc s VAL 551 Cb -0.10 -1.98 -0.05 0.00 -1.53 0.00 0.00 36.38 32.72 2khc s VAL 551 CO 0.01 -0.67 0.66 0.72 -3.33 0.00 0.00 175.10 172.49 2khc s PHE 552 N 1.35 3.67 -0.09 1.54 -0.12 -1.26 -2.18 117.98 120.89 2khc s PHE 552 Ca 0.11 1.27 0.01 0.00 -0.05 0.00 0.00 56.93 58.26 2khc s PHE 552 Cb -0.18 -2.70 0.02 0.00 -0.63 0.00 0.00 43.02 39.53 2khc s PHE 552 CO -0.19 0.27 -0.10 0.42 -0.05 0.00 0.00 175.22 175.57 2khc s ILE 553 N 0.07 1.06 -0.23 -4.49 1.01 -1.24 -4.88 121.20 112.49 2khc s ILE 553 Ca 0.34 -0.37 -0.11 0.00 0.00 0.00 0.00 60.65 60.51 2khc s ILE 553 Cb -0.19 -1.02 0.08 0.00 0.01 0.00 0.00 42.46 41.34 2khc s ILE 553 CO 0.19 0.36 0.54 -1.81 0.00 0.00 0.00 174.94 174.22 2khc s ASP 554 N 1.20 -0.71 0.00 3.58 1.11 -1.26 -3.34 116.67 117.25 2khc s ASP 554 Ca -0.04 1.22 0.00 0.00 0.18 0.00 0.00 52.55 53.90 2khc s ASP 554 Cb -0.14 1.26 0.00 0.00 1.07 0.00 0.00 42.92 45.11 2khc s ASP 554 CO -0.03 -0.22 0.96 1.17 1.18 0.00 0.00 175.17 178.23 2khc n LYS 555 N 4.58 0.00 0.00 8.23 0.00 -1.26 -4.66 118.16 125.06 2khc n LYS 555 Ca -0.19 0.66 0.00 0.00 0.00 0.00 0.00 58.31 58.79 2khc n LYS 555 Cb 0.55 -1.46 0.00 0.00 0.00 0.00 0.00 35.03 34.12 2khc n LYS 555 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 2khc n GLN 556 N -2.27 0.00 0.00 1.64 7.27 -1.26 -5.00 117.38 117.77 2khc n GLN 556 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 2khc n GLN 556 Cb 0.00 -0.17 0.00 0.00 2.41 0.00 0.00 30.24 32.48 2khc n GLN 556 CO 0.00 0.00 0.00 -2.37 0.07 0.00 0.00 177.06 174.76 2khc n THR 557 N -1.91 0.00 0.60 1.69 5.66 -1.26 -4.92 114.28 114.14 2khc n THR 557 Ca 0.00 0.00 0.10 0.00 -3.05 0.00 0.00 64.05 61.10 2khc n THR 557 Cb 0.00 -0.04 0.27 0.00 -1.55 0.00 0.00 70.33 69.01 2khc n THR 557 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 2khc n SER 558 N -0.46 2.69 -4.43 1.09 2.88 -1.26 -4.89 113.62 109.24 2khc n SER 558 Ca 0.00 -1.91 -0.36 0.00 -1.33 0.00 0.00 58.87 55.27 2khc n SER 558 Cb 0.03 -0.24 -0.13 0.00 -0.75 0.00 0.00 64.21 63.13 2khc n SER 558 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2khc s LEU 559 N -1.35 3.33 -0.64 2.46 1.43 -1.26 -5.00 118.68 117.65 2khc s LEU 559 Ca 0.36 -0.23 -0.04 0.00 -1.03 0.00 0.00 54.13 53.19 2khc s LEU 559 Cb 0.20 -1.88 0.17 0.00 0.03 0.00 0.00 46.19 44.70 2khc s LEU 559 CO 0.27 -0.01 0.47 -0.94 0.23 0.00 0.00 176.35 176.37 2khc s SER 560 N 1.48 5.38 -0.10 2.29 1.04 -1.26 -3.99 113.70 118.54 2khc s SER 560 Ca 0.06 -2.83 -0.05 0.00 0.48 0.00 0.00 55.95 53.61 2khc s SER 560 Cb -0.15 -1.89 0.05 0.00 0.10 0.00 0.00 66.02 64.13 2khc s SER 560 CO 0.02 -0.39 0.23 -1.59 0.98 0.00 0.00 173.24 172.49 2khc s LYS 561 N -0.02 0.18 0.11 4.02 -2.85 -1.21 -4.13 119.74 115.83 2khc s LYS 561 Ca 0.17 0.53 -0.25 0.00 -1.00 0.00 0.00 55.97 55.41 2khc s LYS 561 Cb -0.19 -0.13 0.08 0.00 -2.06 0.00 0.00 37.83 35.53 2khc s LYS 561 CO -0.04 -0.18 1.10 0.00 0.10 0.00 0.00 175.35 176.33 2khc s PHE 563 N -2.51 1.02 0.17 0.00 -0.12 -0.92 0.14 117.98 115.76 2khc s PHE 563 Ca 0.19 -0.96 0.09 0.00 -0.05 0.00 0.00 56.93 56.19 2khc s PHE 563 Cb -0.00 -0.58 -0.04 0.00 -0.63 0.00 0.00 43.02 41.76 2khc s PHE 563 CO 0.02 -0.18 -0.19 0.20 -0.05 0.00 0.00 175.22 175.02 2khc s GLY 564 N -3.10 1.45 0.01 1.99 0.00 -0.59 -1.76 107.32 105.32 2khc s GLY 564 Ca 0.17 -1.53 0.06 0.00 0.00 0.00 0.00 44.72 43.42 2khc s GLY 564 CO -0.01 -1.58 -0.17 -1.36 0.00 0.00 0.00 173.10 169.97 2khc s PHE 565 N -2.08 2.59 0.01 1.90 0.40 -0.89 -2.11 117.98 117.80 2khc s PHE 565 Ca 0.17 -0.24 -0.01 0.00 -0.60 0.00 0.00 56.93 56.25 2khc s PHE 565 Cb -0.06 -1.52 -0.01 0.00 0.51 0.00 0.00 43.02 41.94 2khc s PHE 565 CO 0.07 0.21 -0.00 0.54 0.70 0.00 0.00 175.22 176.73 2khc s VAL 566 N -0.84 0.09 -0.21 -0.44 0.11 -0.75 -2.11 120.40 116.25 2khc s VAL 566 Ca 0.13 -0.74 -0.02 0.00 -2.93 0.00 0.00 61.98 58.42 2khc s VAL 566 Cb -0.10 -0.24 0.06 0.00 -1.53 0.00 0.00 36.38 34.57 2khc s VAL 566 CO 0.03 -0.41 0.03 -0.55 -3.33 0.00 0.00 175.10 170.87 2khc s SER 567 N -1.21 3.18 -0.21 3.54 0.15 -0.45 -2.23 113.70 116.46 2khc s SER 567 Ca -0.13 -0.96 -0.10 0.00 0.70 0.00 0.00 55.95 55.46 2khc s SER 567 Cb -0.08 -0.71 -0.05 0.00 -1.71 0.00 0.00 66.02 63.47 2khc s SER 567 CO -0.01 -0.31 0.13 -0.36 1.20 0.00 0.00 173.24 173.90 2khc s PHE 568 N 1.76 3.36 -0.54 3.44 0.08 -0.97 -2.07 117.98 123.05 2khc s PHE 568 Ca -0.01 0.26 0.04 0.00 0.12 0.00 0.00 56.93 57.34 2khc s PHE 568 Cb -0.17 -2.18 0.14 0.00 -0.57 0.00 0.00 43.02 40.24 2khc s PHE 568 CO -0.10 0.20 0.31 -0.51 -0.10 0.00 0.00 175.22 175.03 2khc s ASP 569 N 0.56 4.18 0.29 1.36 1.01 -0.78 -2.08 116.67 121.21 2khc s ASP 569 Ca 0.07 -3.14 -0.11 0.00 0.71 0.00 0.00 52.55 50.09 2khc s ASP 569 Cb -0.12 -1.46 0.04 0.00 1.01 0.00 0.00 42.92 42.40 2khc s ASP 569 CO 0.00 -0.20 0.58 -3.20 0.21 0.00 0.00 175.17 172.56 2khc n ASN 570 N 2.92 -1.68 -3.39 0.27 5.15 -1.26 -1.69 115.26 115.58 2khc n ASN 570 Ca 0.10 -2.16 -0.31 0.00 -0.60 0.00 0.00 54.58 51.62 2khc n ASN 570 Cb 0.34 2.79 0.29 0.00 -0.53 0.00 0.00 39.78 42.67 2khc n ASN 570 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 2khc s PRO 571 N -2.06 -3.11 0.65 1.20 0.02 -1.26 -4.69 135.00 125.75 2khc s PRO 571 Ca 0.12 0.13 0.23 0.00 0.02 0.00 0.00 61.00 61.50 2khc s PRO 571 Cb -0.04 -1.36 1.23 0.00 0.02 0.00 0.00 34.50 34.36 2khc s PRO 571 CO 0.09 -4.99 1.69 0.22 -0.33 0.00 0.00 177.00 173.68 2khc h ASP 572 N -3.50 0.00 -0.79 2.53 1.82 -2.00 -1.39 116.42 113.10 2khc h ASP 572 Ca -0.43 0.00 0.16 0.00 -0.39 0.00 0.00 57.03 56.38 2khc h ASP 572 Cb 1.34 0.00 -0.11 0.00 0.68 0.00 0.00 39.33 41.25 2khc h ASP 572 CO 0.27 0.00 0.30 0.28 -1.61 0.00 0.00 179.24 178.48 2khc h SER 573 N 0.00 0.23 -0.65 2.28 0.02 -1.95 0.70 113.55 114.18 2khc h SER 573 Ca 0.07 0.13 -0.05 0.00 -0.84 0.00 0.00 61.79 61.10 2khc h SER 573 Cb 1.17 0.12 -0.03 0.00 0.14 0.00 0.00 62.40 63.80 2khc h SER 573 CO -0.00 0.05 0.24 0.00 -1.14 0.00 0.00 176.83 175.98 2khc h ALA 574 N 1.60 1.15 -0.51 3.77 0.00 -1.52 -1.90 119.26 121.85 2khc h ALA 574 Ca 0.45 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 55.20 2khc h ALA 574 Cb 0.75 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 2khc h ALA 574 CO -0.46 0.60 0.29 1.96 0.00 0.00 0.00 179.25 181.64 2khc h GLN 575 N 0.98 0.55 -0.38 0.00 4.20 0.11 -0.28 115.11 120.29 2khc h GLN 575 Ca 0.22 -0.03 0.02 0.00 0.06 0.00 0.00 58.65 58.92 2khc h GLN 575 Cb 0.24 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 2khc h GLN 575 CO -0.01 0.36 0.25 -0.24 -0.67 0.00 0.00 178.83 178.52 2khc h VAL 576 N 0.57 1.04 -0.62 -0.54 3.04 0.05 -1.00 116.25 118.79 2khc h VAL 576 Ca 0.22 -0.15 -0.05 0.00 -1.01 0.00 0.00 66.70 65.71 2khc h VAL 576 Cb 0.07 0.58 -0.03 0.00 -2.01 0.00 0.00 31.29 29.90 2khc h VAL 576 CO -0.12 0.08 0.17 0.00 -1.01 0.00 0.00 177.57 176.69 2khc h ALA 577 N 1.78 1.14 -0.03 3.17 0.00 -0.31 -2.19 119.26 122.82 2khc h ALA 577 Ca 0.15 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 2khc h ALA 577 Cb 0.07 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.62 2khc h ALA 577 CO -0.03 0.59 -0.18 0.82 0.00 0.00 0.00 179.25 180.44 2khc h ILE 578 N 0.91 1.50 -0.13 0.00 2.04 -0.61 -2.64 117.51 118.57 2khc h ILE 578 Ca 0.20 -1.72 -0.13 0.00 1.00 0.00 0.00 64.86 64.21 2khc h ILE 578 Cb 0.29 2.54 0.00 0.00 -0.74 0.00 0.00 36.82 38.91 2khc h ILE 578 CO -0.00 0.47 -0.42 0.11 0.00 0.00 0.00 178.15 178.31 2khc h LYS 579 N -0.43 0.51 0.00 2.37 6.56 -1.45 -3.25 116.57 120.89 2khc h LYS 579 Ca -0.01 -0.38 0.00 0.00 -1.06 0.00 0.00 60.65 59.20 2khc h LYS 579 Cb 0.86 0.07 0.00 0.00 -0.57 0.00 0.00 32.23 32.59 2khc h LYS 579 CO 0.04 1.00 0.00 0.00 -2.06 0.00 0.00 179.45 178.43 2khc h ALA 580 N 0.52 1.00 -3.35 3.86 0.00 -1.55 -3.45 119.26 116.29 2khc h ALA 580 Ca -0.01 0.00 -0.48 0.00 0.00 0.00 0.00 54.91 54.42 2khc h ALA 580 Cb 1.04 0.00 -0.35 0.00 0.00 0.00 0.00 17.79 18.48 2khc h ALA 580 CO 0.09 0.00 -0.79 1.41 0.00 0.00 0.00 179.25 179.96 2khc s MET 581 N -3.36 1.25 0.96 0.00 -2.45 -1.00 -5.06 119.30 109.63 2khc s MET 581 Ca 0.05 -0.21 -0.11 0.00 -1.25 0.00 0.00 55.69 54.17 2khc s MET 581 Cb 0.08 -1.22 0.17 0.00 1.25 0.00 0.00 34.83 35.10 2khc s MET 581 CO 0.58 -0.13 1.10 -0.80 1.05 0.00 0.00 175.02 176.82 2khc s ASN 582 N 1.19 2.76 -0.00 1.11 0.01 -1.26 -4.66 114.94 114.08 2khc s ASN 582 Ca -0.06 1.79 0.01 0.00 -0.71 0.00 0.00 52.86 53.89 2khc s ASN 582 Cb -0.14 -2.39 -0.02 0.00 0.41 0.00 0.00 41.25 39.11 2khc s ASN 582 CO -0.02 -3.14 0.02 0.61 -1.51 0.00 0.00 177.10 173.07 2khc n GLY 583 N -0.17 -0.04 2.76 0.66 0.00 -1.26 -4.98 105.19 102.15 2khc n GLY 583 Ca 0.08 -0.02 -0.27 0.00 0.00 0.00 0.00 46.02 45.80 2khc n GLY 583 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2khc s PHE 584 N -2.07 1.08 -0.22 1.61 5.36 -1.26 -4.55 117.98 117.93 2khc s PHE 584 Ca -0.00 -0.81 -0.10 0.00 -0.96 0.00 0.00 56.93 55.06 2khc s PHE 584 Cb 0.01 -1.04 -0.05 0.00 -0.34 0.00 0.00 43.02 41.60 2khc s PHE 584 CO 0.04 -0.57 0.14 1.14 -1.46 0.00 0.00 175.22 174.50 2khc s GLN 585 N 1.84 4.10 0.18 10.12 -2.07 -1.26 -0.55 119.66 132.01 2khc s GLN 585 Ca -0.00 -0.26 0.09 0.00 -1.82 0.00 0.00 55.36 53.36 2khc s GLN 585 Cb -0.16 -3.45 -0.04 0.00 -1.09 0.00 0.00 33.01 28.26 2khc s GLN 585 CO -0.07 0.17 -0.18 0.08 -1.32 0.00 0.00 175.29 173.97 2khc s VAL 586 N 0.73 1.86 0.51 3.63 1.01 -0.97 -4.97 120.40 122.20 2khc s VAL 586 Ca 0.07 -2.00 0.42 0.00 0.00 0.00 0.00 61.98 60.48 2khc s VAL 586 Cb -0.12 -1.91 0.63 0.00 0.00 0.00 0.00 36.38 34.98 2khc s VAL 586 CO 0.02 -0.36 1.59 1.23 0.00 0.00 0.00 175.10 177.57 2khc h GLY 587 N 3.08 0.59 -5.92 4.51 0.00 -2.07 -2.17 103.07 101.10 2khc h GLY 587 Ca -0.41 -0.04 -0.42 0.00 0.00 0.00 0.00 47.33 46.45 2khc h GLY 587 CO 0.53 -0.20 -0.78 -0.51 0.00 0.00 0.00 176.54 175.58 2khc s THR 588 N -5.04 -0.19 -0.18 4.70 -4.23 -1.26 -5.10 115.64 104.34 2khc s THR 588 Ca -0.06 -1.91 -0.29 0.00 -1.18 0.00 0.00 61.69 58.25 2khc s THR 588 Cb 0.28 -0.77 0.12 0.00 1.34 0.00 0.00 72.50 73.48 2khc s THR 588 CO 0.86 -0.75 1.00 -0.54 -0.54 0.00 0.00 174.62 174.64 2khc s LYS 589 N 0.49 0.59 -0.03 3.99 1.02 -0.82 -5.16 119.74 119.82 2khc s LYS 589 Ca 0.30 0.24 -0.01 0.00 0.02 0.00 0.00 55.97 56.53 2khc s LYS 589 Cb 0.00 0.28 0.03 0.00 -0.52 0.00 0.00 37.83 37.62 2khc s LYS 589 CO -0.13 -0.16 0.06 0.50 -0.92 0.00 0.00 175.35 174.70 2khc s ARG 590 N -0.82 -0.02 0.31 1.68 3.52 -1.25 -2.29 118.95 120.08 2khc s ARG 590 Ca -0.01 0.27 -0.27 0.00 -0.13 0.00 0.00 55.73 55.58 2khc s ARG 590 Cb -0.01 -0.28 -0.09 0.00 -1.56 0.00 0.00 34.95 33.00 2khc s ARG 590 CO 0.00 -0.20 0.99 -1.17 -0.81 0.00 0.00 175.30 174.11 2khc s LEU 591 N 1.32 4.42 -0.43 -0.88 2.96 0.29 -4.79 118.68 121.57 2khc s LEU 591 Ca -0.06 1.98 -0.25 0.00 -0.22 0.00 0.00 54.13 55.57 2khc s LEU 591 Cb -0.13 -3.88 0.02 0.00 0.50 0.00 0.00 46.19 42.71 2khc s LEU 591 CO -0.04 -0.10 0.91 -0.75 -1.32 0.00 0.00 176.35 175.05 2khc s LYS 592 N -1.81 3.63 -0.48 1.98 2.20 -1.25 -4.16 119.74 119.85 2khc s LYS 592 Ca 0.48 0.27 -0.18 0.00 -0.36 0.00 0.00 55.97 56.18 2khc s LYS 592 Cb -0.23 -3.88 0.05 0.00 -1.51 0.00 0.00 37.83 32.26 2khc s LYS 592 CO 0.30 -1.12 0.55 0.54 -0.36 0.00 0.00 175.35 175.26 2khc s VAL 593 N 3.61 4.97 -0.33 4.02 0.11 -1.26 -2.13 120.40 129.40 2khc s VAL 593 Ca 0.37 -0.55 -0.13 0.00 -2.93 0.00 0.00 61.98 58.74 2khc s VAL 593 Cb -0.11 -4.22 -0.02 0.00 -1.53 0.00 0.00 36.38 30.50 2khc s VAL 593 CO 0.23 -0.69 0.25 -1.10 -3.33 0.00 0.00 175.10 170.46 2khc s GLN 594 N 2.37 3.61 0.18 1.54 -1.52 -0.84 -4.93 119.66 120.07 2khc s GLN 594 Ca 0.13 -0.54 -0.19 0.00 -1.95 0.00 0.00 55.36 52.81 2khc s GLN 594 Cb -0.20 -3.77 -0.08 0.00 -0.22 0.00 0.00 33.01 28.74 2khc s GLN 594 CO 0.11 -0.39 0.68 -1.17 -0.25 0.00 0.00 175.29 174.27 2khc s LEU 595 N 1.77 4.39 -0.22 2.90 2.96 -1.26 -1.97 118.68 127.25 2khc s LEU 595 Ca 0.07 1.36 -0.04 0.00 -0.22 0.00 0.00 54.13 55.30 2khc s LEU 595 Cb -0.17 -3.40 0.11 0.00 0.50 0.00 0.00 46.19 43.23 2khc s LEU 595 CO 0.11 0.10 0.35 -1.59 -1.32 0.00 0.00 176.35 173.99 2khc s LYS 596 N -1.77 0.30 0.00 1.98 -2.85 -0.67 -4.98 119.74 111.75 2khc s LYS 596 Ca 0.39 0.57 0.07 0.00 -1.00 0.00 0.00 55.97 56.01 2khc s LYS 596 Cb -0.17 -0.44 0.06 0.00 -2.06 0.00 0.00 37.83 35.21 2khc s LYS 596 CO 0.21 -0.56 0.72 0.36 0.10 0.00 0.00 175.35 176.18