#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2khc n ALA 481 N 0.00 5.60 0.00 0.00 0.00 -1.26 -4.82 120.51 120.03 2khc n ALA 481 Ca 0.00 -3.37 0.00 0.00 0.00 0.00 0.00 53.44 50.07 2khc n ALA 481 Cb 0.00 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.20 2khc n ALA 481 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2khc n GLY 482 N -0.96 2.92 3.11 0.00 0.00 -1.26 -5.03 105.19 103.97 2khc n GLY 482 Ca 0.54 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.19 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 5.26 0.18 0.99 0.20 -1.26 -5.09 118.68 118.96 2khc s LEU 483 Ca 0.00 -2.28 0.01 0.00 0.69 0.00 0.00 54.13 52.56 2khc s LEU 483 Cb 0.00 -1.84 -0.04 0.00 -0.43 0.00 0.00 46.19 43.88 2khc s LEU 483 CO 0.00 -0.50 0.34 -2.16 -0.29 0.00 0.00 176.35 173.74 2khc s PRO 484 N 0.79 3.47 0.47 0.98 0.04 -1.26 -4.92 135.00 134.57 2khc s PRO 484 Ca 0.11 -0.49 0.08 0.00 0.04 0.00 0.00 61.00 60.73 2khc s PRO 484 Cb -0.22 -2.90 0.01 0.00 0.04 0.00 0.00 34.50 31.43 2khc s PRO 484 CO -0.04 0.45 0.49 -0.65 0.04 0.00 0.00 177.00 177.30 2khc s GLN 485 N -3.34 2.51 -0.49 4.56 1.11 -1.26 -5.07 119.66 117.67 2khc s GLN 485 Ca 0.36 -1.57 -0.24 0.00 0.01 0.00 0.00 55.36 53.91 2khc s GLN 485 Cb -0.11 -2.46 0.03 0.00 -1.01 0.00 0.00 33.01 29.47 2khc s GLN 485 CO 0.29 -0.39 0.90 -0.06 0.01 0.00 0.00 175.29 176.04 2khc s PHE 486 N -2.53 2.88 0.00 0.91 0.40 -1.26 -3.76 117.98 114.63 2khc s PHE 486 Ca 0.50 0.18 0.00 0.00 -0.60 0.00 0.00 56.93 57.01 2khc s PHE 486 Cb -0.05 -3.95 0.00 0.00 0.51 0.00 0.00 43.02 39.53 2khc s PHE 486 CO 0.30 -1.18 0.00 0.41 0.70 0.00 0.00 175.22 175.45 2khc n GLY 487 N 5.02 1.91 3.76 4.36 0.00 -1.26 -5.13 105.19 113.85 2khc n GLY 487 Ca 0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 2khc n GLY 487 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2khc s SER 488 N -2.00 4.63 0.22 1.61 1.04 -1.25 -5.13 113.70 112.81 2khc s SER 488 Ca 0.00 -0.90 -0.05 0.00 0.48 0.00 0.00 55.95 55.47 2khc s SER 488 Cb 0.00 -0.59 -0.06 0.00 0.10 0.00 0.00 66.02 65.47 2khc s SER 488 CO 0.00 -0.46 0.48 0.00 0.98 0.00 0.00 173.24 174.24 2khc s ALA 489 N -2.51 3.69 0.79 5.32 0.00 -1.26 -5.04 121.76 122.75 2khc s ALA 489 Ca 0.41 -0.52 -0.11 0.00 0.00 0.00 0.00 51.96 51.73 2khc s ALA 489 Cb 0.00 -2.24 0.07 0.00 0.00 0.00 0.00 23.12 20.95 2khc s ALA 489 CO 0.23 0.47 1.09 -1.12 0.00 0.00 0.00 175.76 176.44 2khc s SER 490 N -2.73 4.53 -0.35 0.00 0.01 -1.26 -4.99 113.70 108.90 2khc s SER 490 Ca 0.43 1.36 -0.25 0.00 1.31 0.00 0.00 55.95 58.80 2khc s SER 490 Cb -0.11 -2.10 0.01 0.00 0.21 0.00 0.00 66.02 64.03 2khc s SER 490 CO 0.26 -1.95 0.87 0.00 0.41 0.00 0.00 173.24 172.82 2khc s ALA 491 N -3.13 3.45 -0.22 1.44 0.00 -1.26 -5.03 121.76 117.01 2khc s ALA 491 Ca 0.61 -0.48 -0.04 0.00 0.00 0.00 0.00 51.96 52.05 2khc s ALA 491 Cb -0.15 -3.45 -0.01 0.00 0.00 0.00 0.00 23.12 19.52 2khc s ALA 491 CO 0.54 -1.48 -0.05 -0.51 0.00 0.00 0.00 175.76 174.27 2khc s LEU 492 N 3.27 2.87 -0.13 0.00 1.43 -1.26 -5.10 118.68 119.77 2khc s LEU 492 Ca 0.35 -0.42 -0.17 0.00 -1.03 0.00 0.00 54.13 52.86 2khc s LEU 492 Cb -0.13 -1.72 -0.04 0.00 0.03 0.00 0.00 46.19 44.33 2khc s LEU 492 CO 0.17 -0.02 0.43 -0.55 0.23 0.00 0.00 176.35 176.61 2khc s SER 493 N 1.46 6.63 0.46 2.29 0.15 -1.26 -5.08 113.70 118.35 2khc s SER 493 Ca 0.06 0.74 -0.01 0.00 0.70 0.00 0.00 55.95 57.44 2khc s SER 493 Cb -0.14 -2.26 -0.01 0.00 -1.71 0.00 0.00 66.02 61.90 2khc s SER 493 CO -0.04 0.02 0.69 0.42 1.20 0.00 0.00 173.24 175.54 2khc s THR 494 N 0.60 4.13 0.06 6.45 -4.23 -1.26 -5.11 115.64 116.28 2khc s THR 494 Ca 0.24 -0.39 0.10 0.00 -1.18 0.00 0.00 61.69 60.45 2khc s THR 494 Cb -0.15 -3.54 -0.03 0.00 1.34 0.00 0.00 72.50 70.12 2khc s THR 494 CO 0.09 -0.41 -0.26 -0.44 -0.54 0.00 0.00 174.62 173.06 2khc s SER 495 N -4.20 3.16 0.55 3.99 0.01 -1.26 -5.12 113.70 110.83 2khc s SER 495 Ca 0.48 -0.62 -0.20 0.00 1.31 0.00 0.00 55.95 56.92 2khc s SER 495 Cb -0.10 -0.27 -0.07 0.00 0.21 0.00 0.00 66.02 65.79 2khc s SER 495 CO 0.39 0.24 0.91 -2.65 0.41 0.00 0.00 173.24 172.54 2khc n PRO 496 N 1.61 0.97 -0.11 12.44 -0.02 -1.26 -4.96 135.00 143.67 2khc n PRO 496 Ca -0.17 0.37 -0.24 0.00 -2.02 0.00 0.00 63.50 61.43 2khc n PRO 496 Cb 0.52 -2.06 -0.11 0.00 -0.02 0.00 0.00 33.50 31.83 2khc n PRO 496 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2khc n LEU 497 N -0.21 2.22 -2.65 2.45 4.32 -1.26 -4.99 117.00 116.88 2khc n LEU 497 Ca 0.12 0.25 -0.21 0.00 -0.02 0.00 0.00 56.01 56.15 2khc n LEU 497 Cb 0.45 -0.92 0.01 0.00 -1.62 0.00 0.00 43.42 41.34 2khc n LEU 497 CO 0.52 0.60 -0.16 0.00 -1.22 0.00 0.00 177.39 177.13 2khc n ALA 498 N -3.65 -0.77 -0.06 -1.18 0.00 -1.26 -4.90 120.51 108.69 2khc n ALA 498 Ca -0.44 0.21 -0.18 0.00 0.00 0.00 0.00 53.44 53.04 2khc n ALA 498 Cb 0.87 -2.82 -0.13 0.00 0.00 0.00 0.00 19.45 17.37 2khc n ALA 498 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2khc h SER 499 N -0.54 0.08 -2.96 0.00 0.02 -2.03 -3.46 113.55 104.66 2khc h SER 499 Ca -0.50 -0.84 -0.61 0.00 -0.84 0.00 0.00 61.79 59.00 2khc h SER 499 Cb 1.36 -0.02 -0.04 0.00 0.14 0.00 0.00 62.40 63.84 2khc h SER 499 CO 0.57 1.24 -0.44 0.68 -1.14 0.00 0.00 176.83 177.74 2khc s VAL 500 N -2.30 5.33 0.89 2.27 -7.23 -1.26 -5.08 120.40 113.01 2khc s VAL 500 Ca -0.21 -0.20 -0.11 0.00 -1.81 0.00 0.00 61.98 59.64 2khc s VAL 500 Cb 0.01 -3.61 0.13 0.00 0.56 0.00 0.00 36.38 33.47 2khc s VAL 500 CO 0.68 0.16 1.17 0.00 -0.31 0.00 0.00 175.10 176.80 2khc s ALA 501 N -1.50 1.55 -0.05 1.32 0.00 -1.26 -4.85 121.76 116.97 2khc s ALA 501 Ca 0.35 0.68 -0.30 0.00 0.00 0.00 0.00 51.96 52.69 2khc s ALA 501 Cb -0.13 -3.47 -0.08 0.00 0.00 0.00 0.00 23.12 19.44 2khc s ALA 501 CO 0.25 -2.67 2.06 1.47 0.00 0.00 0.00 175.76 176.86 2khc n LEU 502 N -4.00 3.87 0.00 0.00 -0.00 -1.26 -4.95 117.00 110.66 2khc n LEU 502 Ca 0.12 0.68 -0.20 0.00 -0.00 0.00 0.00 56.01 56.61 2khc n LEU 502 Cb 0.52 -1.53 -0.06 0.00 -0.00 0.00 0.00 43.42 42.35 2khc n LEU 502 CO 0.49 -0.08 -0.13 -1.54 -0.00 0.00 0.00 177.39 176.13 2khc n SER 503 N 8.86 1.20 -4.68 1.45 3.41 -1.26 -5.11 113.62 117.50 2khc n SER 503 Ca 0.23 -2.70 -0.42 0.00 -0.26 0.00 0.00 58.87 55.72 2khc n SER 503 Cb 0.42 0.80 -0.03 0.00 -0.26 0.00 0.00 64.21 65.14 2khc n SER 503 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2khc s ALA 504 N -2.86 3.59 0.17 7.33 0.00 -1.26 -5.02 121.76 123.71 2khc s ALA 504 Ca 0.16 0.70 0.09 0.00 0.00 0.00 0.00 51.96 52.91 2khc s ALA 504 Cb 0.01 -3.61 -0.04 0.00 0.00 0.00 0.00 23.12 19.48 2khc s ALA 504 CO 0.11 -1.03 -0.12 0.00 0.00 0.00 0.00 175.76 174.72 2khc s ALA 505 N 2.93 2.87 0.92 0.00 0.00 -1.26 -5.12 121.76 122.10 2khc s ALA 505 Ca 0.61 -1.45 -0.10 0.00 0.00 0.00 0.00 51.96 51.01 2khc s ALA 505 Cb -0.27 -0.70 0.14 0.00 0.00 0.00 0.00 23.12 22.30 2khc s ALA 505 CO 0.22 0.50 1.12 0.00 0.00 0.00 0.00 175.76 177.60 2khc s ALA 506 N -1.58 1.41 0.76 0.00 0.00 -1.26 -4.99 121.76 116.10 2khc s ALA 506 Ca 0.23 0.45 -0.11 0.00 0.00 0.00 0.00 51.96 52.54 2khc s ALA 506 Cb -0.09 -3.39 0.05 0.00 0.00 0.00 0.00 23.12 19.68 2khc s ALA 506 CO 0.14 -2.70 1.09 0.00 0.00 0.00 0.00 175.76 174.28 2khc s ALA 507 N -2.68 2.32 0.55 0.00 0.00 -1.26 -5.05 121.76 115.64 2khc s ALA 507 Ca 0.66 0.24 -0.03 0.00 0.00 0.00 0.00 51.96 52.83 2khc s ALA 507 Cb -0.22 -3.26 0.01 0.00 0.00 0.00 0.00 23.12 19.65 2khc s ALA 507 CO 0.58 -1.68 0.82 0.00 0.00 0.00 0.00 175.76 175.48 2khc s ALA 508 N -2.92 3.51 0.61 0.00 0.00 -1.26 -5.10 121.76 116.60 2khc s ALA 508 Ca 0.61 -0.91 -0.04 0.00 0.00 0.00 0.00 51.96 51.62 2khc s ALA 508 Cb -0.17 -2.39 0.03 0.00 0.00 0.00 0.00 23.12 20.59 2khc s ALA 508 CO 0.56 -0.70 0.89 0.00 0.00 0.00 0.00 175.76 176.51 2khc s ALA 509 N -2.84 3.42 -0.23 0.00 0.00 -1.26 -5.04 121.76 115.80 2khc s ALA 509 Ca 0.53 -0.94 -0.26 0.00 0.00 0.00 0.00 51.96 51.29 2khc s ALA 509 Cb -0.10 -2.45 -0.00 0.00 0.00 0.00 0.00 23.12 20.57 2khc s ALA 509 CO 0.42 -0.92 0.89 0.00 0.00 0.00 0.00 175.76 176.15 2khc s ALA 510 N -2.99 3.64 0.50 0.00 0.00 -1.26 -4.75 121.76 116.91 2khc s ALA 510 Ca 0.56 -0.03 0.42 0.00 0.00 0.00 0.00 51.96 52.92 2khc s ALA 510 Cb -0.10 -3.35 1.61 0.00 0.00 0.00 0.00 23.12 21.28 2khc s ALA 510 CO 0.43 -0.93 1.54 0.41 0.00 0.00 0.00 175.76 177.21 2khc n GLY 511 N 3.60 -0.92 0.00 0.00 0.00 0.12 -4.68 105.19 103.30 2khc n GLY 511 Ca 0.07 0.72 0.00 0.00 0.00 0.00 0.00 46.02 46.81 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 -4.24 0.00 -0.98 1.61 5.02 -1.25 -4.72 118.16 113.60 2khc n LYS 512 Ca 0.42 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 56.35 2khc n LYS 512 Cb 1.81 0.00 0.05 0.00 -0.02 0.00 0.00 35.03 36.87 2khc n LYS 512 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 2khc n GLN 513 N 0.00 -0.06 -0.78 1.97 7.27 -0.19 -4.36 117.38 121.22 2khc n GLN 513 Ca 0.00 -0.02 -0.30 0.00 0.07 0.00 0.00 57.00 56.76 2khc n GLN 513 Cb 0.00 -1.09 0.26 0.00 2.41 0.00 0.00 30.24 31.82 2khc n GLN 513 CO 0.00 0.00 0.00 0.96 0.07 0.00 0.00 177.06 178.09 2khc s ILE 514 N -2.04 1.52 0.48 1.69 -4.36 -1.26 -3.95 121.20 113.28 2khc s ILE 514 Ca 0.41 0.00 -0.23 0.00 -0.26 0.00 0.00 60.65 60.57 2khc s ILE 514 Cb -0.12 -2.30 -0.07 0.00 1.25 0.00 0.00 42.46 41.22 2khc s ILE 514 CO 0.78 0.00 1.24 -1.61 0.24 0.00 0.00 174.94 175.59 2khc s GLU 515 N -5.17 3.60 0.00 0.37 0.41 -1.26 -4.43 118.70 112.22 2khc s GLU 515 Ca 0.70 1.96 0.00 0.00 -0.41 0.00 0.00 54.97 57.22 2khc s GLU 515 Cb -0.13 -2.41 0.00 0.00 -1.78 0.00 0.00 34.13 29.82 2khc s GLU 515 CO 0.58 -0.74 0.00 0.41 -0.49 0.00 0.00 175.26 175.02 2khc n GLY 516 N 0.56 3.70 3.60 -1.39 0.00 -1.26 -5.09 105.19 105.31 2khc n GLY 516 Ca 0.08 -1.47 -0.47 0.00 0.00 0.00 0.00 46.02 44.17 2khc n GLY 516 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2khc n PRO 517 N 0.00 1.93 -1.58 1.61 -0.02 -1.26 -4.90 135.00 130.78 2khc n PRO 517 Ca 0.00 0.63 -0.29 0.00 -2.02 0.00 0.00 63.50 61.82 2khc n PRO 517 Cb 0.00 -2.82 0.14 0.00 -0.02 0.00 0.00 33.50 30.80 2khc n PRO 517 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2khc s GLU 518 N 5.32 1.05 0.00 -0.52 2.02 -1.26 -3.86 118.70 121.46 2khc s GLU 518 Ca 0.99 0.20 0.00 0.00 0.02 0.00 0.00 54.97 56.18 2khc s GLU 518 Cb -0.59 -1.84 0.00 0.00 0.10 0.00 0.00 34.13 31.80 2khc s GLU 518 CO 0.45 -2.24 0.00 0.41 0.02 0.00 0.00 175.26 173.90 2khc n GLY 519 N -2.37 1.04 1.04 -1.39 0.00 -1.26 -4.95 105.19 97.29 2khc n GLY 519 Ca 0.08 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.11 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 -3.06 6.37 0.13 0.00 2.20 -0.66 -2.31 114.94 117.60 2khc s ASN 521 Ca 0.38 0.30 0.06 0.00 -0.94 0.00 0.00 52.86 52.66 2khc s ASN 521 Cb 0.38 -1.97 -0.04 0.00 -2.00 0.00 0.00 41.25 37.61 2khc s ASN 521 CO -0.07 0.19 -0.13 -0.22 -2.94 0.00 0.00 177.10 173.92 2khc s LEU 522 N -2.38 2.44 -0.18 3.54 2.96 -0.85 -1.42 118.68 122.79 2khc s LEU 522 Ca 0.33 -0.86 0.01 0.00 -0.22 0.00 0.00 54.13 53.39 2khc s LEU 522 Cb -0.13 -0.52 0.03 0.00 0.50 0.00 0.00 46.19 46.07 2khc s LEU 522 CO 0.26 -0.18 -0.13 0.12 -1.32 0.00 0.00 176.35 175.09 2khc s PHE 523 N -2.41 2.42 0.06 5.38 2.19 -0.86 -2.03 117.98 122.74 2khc s PHE 523 Ca 0.11 -1.49 0.09 0.00 0.33 0.00 0.00 56.93 55.97 2khc s PHE 523 Cb -0.03 -1.68 -0.03 0.00 -1.31 0.00 0.00 43.02 39.96 2khc s PHE 523 CO 0.03 -0.73 -0.24 0.96 1.83 0.00 0.00 175.22 177.06 2khc s ILE 524 N 1.40 2.33 -0.32 3.12 -0.00 -0.94 -2.13 121.20 124.66 2khc s ILE 524 Ca 0.02 -1.42 0.00 0.00 -0.00 0.00 0.00 60.65 59.26 2khc s ILE 524 Cb -0.15 -1.95 0.14 0.00 -0.00 0.00 0.00 42.46 40.50 2khc s ILE 524 CO -0.10 0.30 0.28 -0.72 -0.00 0.00 0.00 174.94 174.71 2khc s TYR 525 N -0.89 -0.14 0.00 1.37 1.13 -0.90 -1.51 117.35 116.41 2khc s TYR 525 Ca 0.13 -0.68 0.00 0.00 -1.41 0.00 0.00 57.07 55.11 2khc s TYR 525 Cb -0.10 -0.57 0.00 0.00 -1.10 0.00 0.00 41.96 40.19 2khc s TYR 525 CO 0.04 -0.91 0.00 1.58 -2.51 0.00 0.00 175.55 173.75 2khc n HIS 526 N 4.80 0.00 -3.52 -3.49 -0.00 -0.33 -3.91 115.22 108.77 2khc n HIS 526 Ca 0.03 0.00 -0.37 0.00 0.46 0.00 0.00 57.72 57.84 2khc n HIS 526 Cb 0.44 0.00 -0.06 0.00 -0.12 0.00 0.00 29.99 30.25 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 -3.66 4.45 1.26 0.27 2.01 0.64 -3.42 118.68 120.23 2khc s LEU 527 Ca 0.00 0.93 -0.18 0.00 0.01 0.00 0.00 54.13 54.89 2khc s LEU 527 Cb 0.00 -2.65 0.28 0.00 0.01 0.00 0.00 46.19 43.83 2khc s LEU 527 CO 0.00 0.30 0.72 -2.65 1.01 0.00 0.00 176.35 175.73 2khc n PRO 528 N 1.65 -3.15 0.25 1.29 -0.02 -1.26 -0.90 135.00 132.86 2khc n PRO 528 Ca -0.13 -0.91 0.15 0.00 -2.02 0.00 0.00 63.50 60.58 2khc n PRO 528 Cb 0.52 -1.94 0.64 0.00 -0.02 0.00 0.00 33.50 32.71 2khc n PRO 528 CO 0.00 0.00 0.00 -0.56 1.98 0.00 0.00 175.50 176.92 2khc h GLN 529 N -2.92 0.00 0.00 -0.52 3.07 -1.86 -1.36 115.11 111.52 2khc h GLN 529 Ca -0.51 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.23 2khc h GLN 529 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.85 2khc h GLN 529 CO 0.37 0.00 0.00 0.39 0.09 0.00 0.00 178.83 179.68 2khc n GLU 530 N -3.02 0.34 -3.51 0.06 -0.58 -1.26 -4.78 120.64 107.88 2khc n GLU 530 Ca 0.02 0.06 -0.37 0.00 -0.42 0.00 0.00 57.16 56.44 2khc n GLU 530 Cb 0.61 -1.50 -0.06 0.00 -0.57 0.00 0.00 31.44 29.92 2khc n GLU 530 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 2khc s PHE 531 N -2.58 3.56 0.06 -0.32 2.19 -0.51 -5.08 117.98 115.29 2khc s PHE 531 Ca 0.23 0.76 0.00 0.00 0.33 0.00 0.00 56.93 58.25 2khc s PHE 531 Cb 0.16 -2.33 -0.04 0.00 -1.31 0.00 0.00 43.02 39.50 2khc s PHE 531 CO 0.37 0.38 0.19 -0.08 1.83 0.00 0.00 175.22 177.91 2khc s THR 532 N -0.06 5.24 0.22 0.12 -1.32 -1.26 -4.84 115.64 113.73 2khc s THR 532 Ca 0.20 -0.45 0.19 0.00 -1.21 0.00 0.00 61.69 60.42 2khc s THR 532 Cb -0.14 -3.55 0.14 0.00 -1.51 0.00 0.00 72.50 67.44 2khc s THR 532 CO 0.08 0.14 1.78 -0.78 -2.21 0.00 0.00 174.62 173.63 2khc h ASP 533 N 3.13 0.00 -0.45 8.08 3.58 1.85 -3.16 116.42 129.45 2khc h ASP 533 Ca -0.45 0.00 0.13 0.00 0.42 0.00 0.00 57.03 57.13 2khc h ASP 533 Cb 1.16 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.19 2khc h ASP 533 CO 0.74 0.35 0.33 0.74 -2.88 0.00 0.00 179.24 178.52 2khc h THR 534 N 0.00 0.74 -0.15 2.25 2.02 0.73 -1.95 112.91 116.55 2khc h THR 534 Ca -0.00 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.14 2khc h THR 534 Cb 0.81 0.77 -0.00 0.00 -1.74 0.00 0.00 68.15 67.99 2khc h THR 534 CO 0.05 0.00 -0.05 -0.78 0.37 0.00 0.00 175.52 175.11 2khc h ASP 535 N 0.00 0.30 -0.23 4.18 3.58 -1.81 -2.22 116.42 120.23 2khc h ASP 535 Ca 0.21 -0.38 -0.01 0.00 0.42 0.00 0.00 57.03 57.27 2khc h ASP 535 Cb 0.87 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.83 2khc h ASP 535 CO -0.00 0.62 0.10 0.17 -2.88 0.00 0.00 179.24 177.25 2khc h LEU 536 N -0.01 0.30 -0.20 2.28 -0.00 -1.57 -2.40 115.31 113.72 2khc h LEU 536 Ca 0.04 -0.14 0.05 0.00 -0.00 0.00 0.00 57.88 57.83 2khc h LEU 536 Cb 0.49 -0.08 -0.06 0.00 -0.00 0.00 0.00 40.66 41.01 2khc h LEU 536 CO 0.02 0.36 -0.18 0.00 -0.00 0.00 0.00 178.44 178.63 2khc h ALA 537 N 0.96 -0.06 -0.95 0.17 0.00 -1.44 -2.03 119.26 115.90 2khc h ALA 537 Ca 0.08 0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.14 2khc h ALA 537 Cb 0.14 0.39 -0.07 0.00 0.00 0.00 0.00 17.79 18.25 2khc h ALA 537 CO -0.01 -0.62 0.62 1.03 0.00 0.00 0.00 179.25 180.27 2khc h SER 538 N -0.20 0.94 0.50 0.00 0.87 -1.28 -0.20 113.55 114.18 2khc h SER 538 Ca 0.12 0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.67 2khc h SER 538 Cb 0.38 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.16 2khc h SER 538 CO -0.31 0.57 -0.24 0.74 -0.53 0.00 0.00 176.83 177.06 2khc h THR 539 N 1.05 0.43 0.00 2.23 2.02 -0.86 -3.09 112.91 114.69 2khc h THR 539 Ca 0.43 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 67.26 2khc h THR 539 Cb 0.28 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 67.26 2khc h THR 539 CO -0.18 0.05 0.00 2.22 0.37 0.00 0.00 175.52 177.98 2khc n PHE 540 N -5.29 0.00 -0.53 3.16 1.16 -0.95 -4.63 117.46 110.39 2khc n PHE 540 Ca -0.11 0.00 0.41 0.00 -1.87 0.00 0.00 57.45 55.88 2khc n PHE 540 Cb 0.31 -0.13 0.64 0.00 -1.61 0.00 0.00 39.48 38.70 2khc n PHE 540 CO 0.00 0.00 0.00 1.47 -1.87 0.00 0.00 176.76 176.36 2khc n LEU 541 N -1.13 0.05 -0.57 5.98 -0.00 -0.09 0.30 117.00 121.55 2khc n LEU 541 Ca 0.16 0.92 0.44 0.00 -0.00 0.00 0.00 56.01 57.53 2khc n LEU 541 Cb 0.14 -0.46 0.67 0.00 -0.00 0.00 0.00 43.42 43.77 2khc n LEU 541 CO 0.16 -0.95 1.26 -2.65 -0.00 0.00 0.00 177.39 175.21 2khc n PRO 542 N -3.82 0.00 -0.18 1.47 -0.02 -1.26 -2.22 135.00 128.97 2khc n PRO 542 Ca 0.36 0.92 0.00 0.00 -2.02 0.00 0.00 63.50 62.76 2khc n PRO 542 Cb 1.56 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 32.88 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 -3.57 0.00 0.00 6.00 1.16 0.15 -4.72 117.46 116.47 2khc n PHE 543 Ca 0.36 -0.28 0.00 0.00 -1.87 0.00 0.00 57.45 55.66 2khc n PHE 543 Cb 1.70 -0.45 0.00 0.00 -1.61 0.00 0.00 39.48 39.11 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 3.34 0.00 3.58 4.97 0.00 -0.94 -4.17 105.19 111.97 2khc n GLY 544 Ca 0.00 0.00 -0.64 0.00 0.00 0.00 0.00 46.02 45.38 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 1.22 -4.31 1.61 5.03 -0.71 -4.80 115.26 113.30 2khc n ASN 545 Ca 0.00 0.99 -0.37 0.00 0.87 0.00 0.00 54.58 56.07 2khc n ASN 545 Cb 0.00 -0.93 -0.13 0.00 -1.02 0.00 0.00 39.78 37.70 2khc n ASN 545 CO 0.00 0.00 0.00 0.68 -1.83 0.00 0.00 177.26 176.11 2khc s VAL 546 N 4.18 3.76 -0.29 2.41 -7.23 -1.26 -1.96 120.40 120.01 2khc s VAL 546 Ca 1.09 -0.84 0.02 0.00 -1.81 0.00 0.00 61.98 60.44 2khc s VAL 546 Cb -1.43 -2.97 0.07 0.00 0.56 0.00 0.00 36.38 32.60 2khc s VAL 546 CO 0.74 0.04 -0.04 -0.63 -0.31 0.00 0.00 175.10 174.91 2khc s ILE 547 N 1.45 2.46 0.09 -0.62 1.09 -0.86 -1.03 121.20 123.78 2khc s ILE 547 Ca 0.01 -1.73 0.08 0.00 -1.10 0.00 0.00 60.65 57.91 2khc s ILE 547 Cb -0.18 -2.52 -0.04 0.00 -1.06 0.00 0.00 42.46 38.67 2khc s ILE 547 CO 0.01 -0.19 -0.15 -0.94 -0.10 0.00 0.00 174.94 173.58 2khc s SER 548 N 1.15 4.08 0.09 3.58 1.04 -1.26 -1.38 113.70 120.99 2khc s SER 548 Ca -0.04 -0.46 -0.04 0.00 0.48 0.00 0.00 55.95 55.90 2khc s SER 548 Cb -0.20 -0.68 -0.03 0.00 0.10 0.00 0.00 66.02 65.21 2khc s SER 548 CO -0.04 0.20 0.08 0.00 0.98 0.00 0.00 173.24 174.45 2khc s ALA 549 N -1.12 0.38 0.10 5.32 0.00 -0.87 0.11 121.76 125.68 2khc s ALA 549 Ca 0.18 -1.11 0.09 0.00 0.00 0.00 0.00 51.96 51.13 2khc s ALA 549 Cb -0.11 0.54 -0.04 0.00 0.00 0.00 0.00 23.12 23.52 2khc s ALA 549 CO 0.10 -0.46 -0.22 -1.59 0.00 0.00 0.00 175.76 173.58 2khc s LYS 550 N -3.95 1.22 -0.37 0.00 -2.85 -1.26 -2.17 119.74 110.36 2khc s LYS 550 Ca 0.12 -1.19 0.03 0.00 -1.00 0.00 0.00 55.97 53.93 2khc s LYS 550 Cb 0.07 -1.53 0.11 0.00 -2.06 0.00 0.00 37.83 34.42 2khc s LYS 550 CO -0.06 0.36 0.11 0.08 0.10 0.00 0.00 175.35 175.94 2khc s VAL 551 N -1.11 1.97 -0.00 1.79 1.01 -0.51 -4.83 120.40 118.72 2khc s VAL 551 Ca 0.08 -2.32 -0.04 0.00 0.00 0.00 0.00 61.98 59.70 2khc s VAL 551 Cb -0.10 -2.44 -0.04 0.00 0.00 0.00 0.00 36.38 33.80 2khc s VAL 551 CO 0.04 -0.67 0.21 0.72 0.00 0.00 0.00 175.10 175.40 2khc s PHE 552 N 0.81 3.55 0.44 5.22 -0.71 -1.26 -2.23 117.98 123.81 2khc s PHE 552 Ca 0.12 0.41 0.05 0.00 -1.04 0.00 0.00 56.93 56.48 2khc s PHE 552 Cb -0.20 -1.87 -0.05 0.00 -1.21 0.00 0.00 43.02 39.68 2khc s PHE 552 CO -0.10 0.63 0.05 0.42 -1.34 0.00 0.00 175.22 174.88 2khc s ILE 553 N -1.33 1.79 -0.94 -4.49 -1.09 -1.26 -4.97 121.20 108.91 2khc s ILE 553 Ca 0.28 -1.94 -0.18 0.00 -2.23 0.00 0.00 60.65 56.58 2khc s ILE 553 Cb -0.13 -2.73 0.14 0.00 -1.58 0.00 0.00 42.46 38.16 2khc s ILE 553 CO 0.18 0.00 1.12 -1.81 -1.23 0.00 0.00 174.94 173.20 2khc s ASP 554 N -3.81 6.67 0.00 3.58 1.01 -1.26 -4.57 116.67 118.30 2khc s ASP 554 Ca 0.28 -2.16 0.24 0.00 0.71 0.00 0.00 52.55 51.61 2khc s ASP 554 Cb 0.06 -2.38 0.39 0.00 1.01 0.00 0.00 42.92 42.00 2khc s ASP 554 CO 0.15 -1.00 1.38 2.29 0.21 0.00 0.00 175.17 178.19 2khc n LYS 555 N 6.27 2.44 -0.13 8.23 -0.00 -1.23 -3.86 118.16 129.89 2khc n LYS 555 Ca 0.24 -2.16 -0.04 0.00 -0.00 0.00 0.00 58.31 56.35 2khc n LYS 555 Cb 0.48 -1.50 -0.03 0.00 -0.00 0.00 0.00 35.03 33.98 2khc n LYS 555 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.40 176.84 2khc h GLN 556 N 4.47 -0.02 0.00 -1.58 -0.00 -1.85 -3.30 115.11 112.83 2khc h GLN 556 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 2khc h GLN 556 Cb 0.98 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.46 2khc h GLN 556 CO 0.00 -0.01 0.00 -2.37 -0.00 0.00 0.00 178.83 176.45 2khc n THR 557 N -3.75 0.17 -0.03 1.86 5.66 -1.26 -4.92 114.28 112.01 2khc n THR 557 Ca 0.00 -0.38 -0.03 0.00 -3.05 0.00 0.00 64.05 60.60 2khc n THR 557 Cb 0.09 1.20 -0.01 0.00 -1.55 0.00 0.00 70.33 70.07 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 -0.09 0.81 -3.67 1.09 2.88 -1.24 -5.06 113.62 108.34 2khc n SER 558 Ca 0.00 0.29 -0.11 0.00 -1.33 0.00 0.00 58.87 57.72 2khc n SER 558 Cb 0.18 -0.63 -0.08 0.00 -0.75 0.00 0.00 64.21 62.92 2khc n SER 558 CO 0.00 0.00 0.00 -1.48 -1.23 0.00 0.00 175.04 172.33 2khc s LEU 559 N -6.19 -0.44 -0.86 2.46 0.05 -1.25 -5.02 118.68 107.44 2khc s LEU 559 Ca -0.09 1.23 -0.13 0.00 0.05 0.00 0.00 54.13 55.19 2khc s LEU 559 Cb 0.01 2.00 0.23 0.00 -2.05 0.00 0.00 46.19 46.38 2khc s LEU 559 CO 0.14 -0.21 0.80 -0.44 -0.55 0.00 0.00 176.35 176.09 2khc s SER 560 N 0.93 6.80 -0.13 1.48 0.01 -1.26 -3.49 113.70 118.04 2khc s SER 560 Ca -0.05 -2.82 -0.05 0.00 1.31 0.00 0.00 55.95 54.34 2khc s SER 560 Cb -0.05 -2.20 0.06 0.00 0.21 0.00 0.00 66.02 64.04 2khc s SER 560 CO -0.08 -0.53 0.28 -1.59 0.41 0.00 0.00 173.24 171.72 2khc s LYS 561 N -0.03 0.17 0.33 12.44 0.00 -1.26 -4.57 119.74 126.82 2khc s LYS 561 Ca 0.20 0.75 -0.08 0.00 0.00 0.00 0.00 55.97 56.83 2khc s LYS 561 Cb -0.10 -0.01 0.01 0.00 0.00 0.00 0.00 37.83 37.73 2khc s LYS 561 CO -0.09 -0.26 0.56 0.00 0.00 0.00 0.00 175.35 175.56 2khc s PHE 563 N -3.07 0.91 0.28 0.00 -0.12 -0.82 0.23 117.98 115.39 2khc s PHE 563 Ca 0.25 -1.05 0.11 0.00 -0.05 0.00 0.00 56.93 56.19 2khc s PHE 563 Cb -0.02 -0.54 -0.05 0.00 -0.63 0.00 0.00 43.02 41.79 2khc s PHE 563 CO 0.16 -0.30 -0.16 0.20 -0.05 0.00 0.00 175.22 175.06 2khc s GLY 564 N -3.06 1.89 -0.08 1.99 0.00 -0.57 -1.42 107.32 106.06 2khc s GLY 564 Ca 0.17 -1.87 0.03 0.00 0.00 0.00 0.00 44.72 43.05 2khc s GLY 564 CO -0.02 -1.94 -0.16 -1.36 0.00 0.00 0.00 173.10 169.62 2khc s PHE 565 N -2.50 2.69 0.02 1.90 0.40 -0.92 -2.20 117.98 117.37 2khc s PHE 565 Ca 0.30 -0.48 0.04 0.00 -0.60 0.00 0.00 56.93 56.20 2khc s PHE 565 Cb -0.04 -1.71 -0.02 0.00 0.51 0.00 0.00 43.02 41.76 2khc s PHE 565 CO 0.16 -0.06 -0.13 0.54 0.70 0.00 0.00 175.22 176.43 2khc s VAL 566 N -0.17 1.01 -0.22 -0.44 0.11 -0.86 -2.06 120.40 117.77 2khc s VAL 566 Ca -0.01 -0.84 -0.02 0.00 -2.93 0.00 0.00 61.98 58.19 2khc s VAL 566 Cb -0.13 -0.90 0.07 0.00 -1.53 0.00 0.00 36.38 33.88 2khc s VAL 566 CO 0.03 0.06 0.02 -0.55 -3.33 0.00 0.00 175.10 171.34 2khc s SER 567 N -0.88 3.33 -0.19 3.54 0.15 -0.48 -2.01 113.70 117.15 2khc s SER 567 Ca 0.02 -1.04 -0.09 0.00 0.70 0.00 0.00 55.95 55.54 2khc s SER 567 Cb -0.07 -0.79 -0.05 0.00 -1.71 0.00 0.00 66.02 63.40 2khc s SER 567 CO 0.01 -0.30 0.11 -0.36 1.20 0.00 0.00 173.24 173.89 2khc s PHE 568 N 1.70 3.37 -0.55 3.44 0.08 -0.98 -2.03 117.98 123.00 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 -0.18 -2.12 0.14 0.00 -0.57 0.00 0.00 43.02 40.30 2khc s PHE 568 CO -0.10 0.27 0.33 -0.51 -0.10 0.00 0.00 175.22 175.11 2khc s ASP 569 N 0.28 4.21 0.24 1.36 1.01 -0.83 -2.10 116.67 120.85 2khc s ASP 569 Ca 0.07 -3.19 -0.10 0.00 0.71 0.00 0.00 52.55 50.05 2khc s ASP 569 Cb -0.11 -1.47 0.04 0.00 1.01 0.00 0.00 42.92 42.38 2khc s ASP 569 CO -0.01 -0.19 0.51 -3.20 0.21 0.00 0.00 175.17 172.49 2khc n ASN 570 N 2.85 -1.45 -3.61 0.27 5.15 -1.26 -1.74 115.26 115.48 2khc n ASN 570 Ca 0.11 -1.99 -0.30 0.00 -0.60 0.00 0.00 54.58 51.80 2khc n ASN 570 Cb 0.34 2.40 0.27 0.00 -0.53 0.00 0.00 39.78 42.26 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 -2.11 0.65 1.20 0.02 -1.26 -4.74 135.00 126.71 2khc s PRO 571 Ca 0.10 0.02 0.24 0.00 0.02 0.00 0.00 61.00 61.38 2khc s PRO 571 Cb -0.03 -1.48 1.27 0.00 0.02 0.00 0.00 34.50 34.27 2khc s PRO 571 CO 0.07 -4.31 1.72 0.38 -0.33 0.00 0.00 177.00 174.53 2khc h ASP 572 N -3.01 0.00 -1.00 2.53 2.03 -2.00 -0.69 116.42 114.28 2khc h ASP 572 Ca -0.44 0.00 0.24 0.00 -0.73 0.00 0.00 57.03 56.10 2khc h ASP 572 Cb 1.31 0.00 -0.09 0.00 -0.83 0.00 0.00 39.33 39.73 2khc h ASP 572 CO 0.31 0.00 0.65 -1.28 -1.03 0.00 0.00 179.24 177.89 2khc h SER 573 N 0.00 0.45 -0.43 4.15 0.87 -1.95 0.95 113.55 117.59 2khc h SER 573 Ca 0.07 0.07 -0.08 0.00 -1.23 0.00 0.00 61.79 60.61 2khc h SER 573 Cb 1.12 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 63.06 2khc h SER 573 CO -0.00 0.12 -0.05 0.00 -0.53 0.00 0.00 176.83 176.38 2khc h ALA 574 N 1.61 0.59 -0.51 6.23 0.00 -1.40 -2.17 119.26 123.61 2khc h ALA 574 Ca 0.56 -0.30 0.06 0.00 0.00 0.00 0.00 54.91 55.23 2khc h ALA 574 Cb 1.38 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.96 2khc h ALA 574 CO -0.26 0.42 0.22 1.96 0.00 0.00 0.00 179.25 181.59 2khc h GLN 575 N 0.63 0.41 -0.97 0.00 4.20 0.64 -0.86 115.11 119.15 2khc h GLN 575 Ca 0.12 -0.02 0.07 0.00 0.06 0.00 0.00 58.65 58.87 2khc h GLN 575 Cb 0.56 -0.09 -0.07 0.00 0.30 0.00 0.00 27.48 28.18 2khc h GLN 575 CO 0.03 0.27 0.63 0.28 -0.67 0.00 0.00 178.83 179.37 2khc h VAL 576 N 0.42 1.06 -0.45 -0.54 2.07 -0.46 -0.96 116.25 117.39 2khc h VAL 576 Ca 0.24 -0.38 -0.03 0.00 0.82 0.00 0.00 66.70 67.35 2khc h VAL 576 Cb 0.22 -0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 29.82 2khc h VAL 576 CO -0.21 0.20 0.17 0.00 0.02 0.00 0.00 177.57 177.75 2khc h ALA 577 N 1.48 1.46 0.13 1.67 0.00 -0.53 -2.24 119.26 121.22 2khc h ALA 577 Ca 0.42 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 2khc h ALA 577 Cb 0.21 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2khc h ALA 577 CO -0.17 0.41 -0.06 0.82 0.00 0.00 0.00 179.25 180.25 2khc h ILE 578 N 0.64 0.87 -0.37 0.00 2.04 -0.57 -2.84 117.51 117.28 2khc h ILE 578 Ca 0.15 -1.27 -0.11 0.00 1.00 0.00 0.00 64.86 64.63 2khc h ILE 578 Cb 0.15 1.51 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 2khc h ILE 578 CO -0.01 0.24 -0.23 0.11 0.00 0.00 0.00 178.15 178.26 2khc h LYS 579 N -0.90 0.74 0.00 2.37 6.56 -1.45 -2.93 116.57 120.96 2khc h LYS 579 Ca -0.02 -0.30 0.00 0.00 -1.06 0.00 0.00 60.65 59.27 2khc h LYS 579 Cb 0.53 -0.03 0.00 0.00 -0.57 0.00 0.00 32.23 32.16 2khc h LYS 579 CO 0.03 0.90 0.00 0.00 -2.06 0.00 0.00 179.45 178.32 2khc h ALA 580 N 1.10 1.00 -3.32 3.86 0.00 -1.55 -3.44 119.26 116.90 2khc h ALA 580 Ca 0.09 0.00 -0.45 0.00 0.00 0.00 0.00 54.91 54.55 2khc h ALA 580 Cb 0.74 0.00 -0.36 0.00 0.00 0.00 0.00 17.79 18.17 2khc h ALA 580 CO 0.06 0.00 -0.78 1.41 0.00 0.00 0.00 179.25 179.94 2khc s MET 581 N -3.42 0.97 0.89 0.00 -2.45 -1.07 -5.07 119.30 109.16 2khc s MET 581 Ca 0.04 -0.09 -0.11 0.00 -1.25 0.00 0.00 55.69 54.29 2khc s MET 581 Cb 0.07 -1.09 0.13 0.00 1.25 0.00 0.00 34.83 35.19 2khc s MET 581 CO 0.60 -0.19 1.10 -0.80 1.05 0.00 0.00 175.02 176.78 2khc s ASN 582 N 1.44 3.39 -0.00 1.11 0.01 -1.26 -4.70 114.94 114.92 2khc s ASN 582 Ca -0.02 1.81 0.00 0.00 -0.71 0.00 0.00 52.86 53.94 2khc s ASN 582 Cb -0.13 -2.42 -0.00 0.00 0.41 0.00 0.00 41.25 39.11 2khc s ASN 582 CO -0.03 -2.74 0.01 0.61 -1.51 0.00 0.00 177.10 173.44 2khc n GLY 583 N -0.57 0.61 2.83 0.66 0.00 -1.26 -4.98 105.19 102.49 2khc n GLY 583 Ca 0.09 -0.01 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.39 1.45 -0.39 1.61 2.19 -1.26 -4.70 117.98 115.49 2khc s PHE 584 Ca 0.00 -0.99 -0.15 0.00 0.33 0.00 0.00 56.93 56.13 2khc s PHE 584 Cb 0.00 -1.19 0.01 0.00 -1.31 0.00 0.00 43.02 40.53 2khc s PHE 584 CO 0.01 -0.60 0.31 -0.65 1.83 0.00 0.00 175.22 176.13 2khc s GLN 585 N 1.72 3.13 0.18 10.12 -0.21 -1.26 -2.09 119.66 131.26 2khc s GLN 585 Ca -0.00 -0.86 0.09 0.00 0.02 0.00 0.00 55.36 54.61 2khc s GLN 585 Cb -0.16 -3.93 -0.04 0.00 1.00 0.00 0.00 33.01 29.88 2khc s GLN 585 CO -0.07 -0.69 -0.19 0.08 -2.12 0.00 0.00 175.29 172.30 2khc s VAL 586 N 1.78 1.95 0.48 1.09 1.01 -0.91 -4.98 120.40 120.83 2khc s VAL 586 Ca 0.07 -2.00 0.37 0.00 0.00 0.00 0.00 61.98 60.42 2khc s VAL 586 Cb -0.18 -1.94 0.57 0.00 0.00 0.00 0.00 36.38 34.83 2khc s VAL 586 CO 0.11 -0.32 1.62 1.23 0.00 0.00 0.00 175.10 177.74 2khc h GLY 587 N 3.10 0.79 -5.85 4.51 0.00 -2.07 -2.40 103.07 101.15 2khc h GLY 587 Ca -0.42 -0.07 -0.40 0.00 0.00 0.00 0.00 47.33 46.44 2khc h GLY 587 CO 0.52 -0.25 -0.76 -0.51 0.00 0.00 0.00 176.54 175.55 2khc s THR 588 N -5.13 -0.26 -0.30 4.70 -4.23 -1.26 -5.07 115.64 104.09 2khc s THR 588 Ca -0.07 -1.81 -0.09 0.00 -1.18 0.00 0.00 61.69 58.55 2khc s THR 588 Cb 0.28 -0.70 0.18 0.00 1.34 0.00 0.00 72.50 73.60 2khc s THR 588 CO 0.84 -0.69 0.87 -0.54 -0.54 0.00 0.00 174.62 174.57 2khc s LYS 589 N 0.55 0.35 -0.13 3.99 1.02 -0.90 -5.15 119.74 119.46 2khc s LYS 589 Ca 0.30 0.66 -0.01 0.00 0.02 0.00 0.00 55.97 56.94 2khc s LYS 589 Cb -0.00 0.37 -0.02 0.00 -0.52 0.00 0.00 37.83 37.67 2khc s LYS 589 CO -0.12 -0.33 -0.12 0.50 -0.92 0.00 0.00 175.35 174.36 2khc s ARG 590 N 2.85 3.42 0.17 1.68 3.52 -1.25 -2.14 118.95 127.20 2khc s ARG 590 Ca 0.06 -0.66 -0.30 0.00 -0.13 0.00 0.00 55.73 54.69 2khc s ARG 590 Cb -0.11 -2.67 -0.07 0.00 -1.56 0.00 0.00 34.95 30.54 2khc s ARG 590 CO -0.16 0.22 1.01 -1.17 -0.81 0.00 0.00 175.30 174.39 2khc s LEU 591 N 0.35 4.53 -0.52 -0.88 0.20 -0.89 -4.81 118.68 116.68 2khc s LEU 591 Ca -0.10 1.95 -0.25 0.00 0.69 0.00 0.00 54.13 56.42 2khc s LEU 591 Cb -0.16 -3.60 0.03 0.00 -0.43 0.00 0.00 46.19 42.04 2khc s LEU 591 CO 0.05 -0.06 0.96 -0.54 -0.29 0.00 0.00 176.35 176.47 2khc s LYS 592 N -0.47 3.43 -0.52 1.98 3.01 -1.25 -4.01 119.74 121.90 2khc s LYS 592 Ca 0.46 -0.03 -0.20 0.00 -1.01 0.00 0.00 55.97 55.19 2khc s LYS 592 Cb -0.26 -4.00 0.06 0.00 -1.01 0.00 0.00 37.83 32.62 2khc s LYS 592 CO 0.33 -1.39 0.69 0.54 0.51 0.00 0.00 175.35 176.02 2khc s VAL 593 N 3.97 4.77 -0.47 3.17 0.11 -1.26 -2.12 120.40 128.57 2khc s VAL 593 Ca 0.34 -0.37 -0.13 0.00 -2.93 0.00 0.00 61.98 58.90 2khc s VAL 593 Cb -0.11 -4.36 0.09 0.00 -1.53 0.00 0.00 36.38 30.48 2khc s VAL 593 CO 0.23 -0.88 0.36 -1.10 -3.33 0.00 0.00 175.10 170.38 2khc s GLN 594 N 2.90 2.78 0.36 1.54 -1.52 -0.90 -4.86 119.66 119.96 2khc s GLN 594 Ca 0.18 -1.51 -0.21 0.00 -1.95 0.00 0.00 55.36 51.87 2khc s GLN 594 Cb -0.18 -4.02 -0.10 0.00 -0.22 0.00 0.00 33.01 28.49 2khc s GLN 594 CO 0.13 -1.08 0.89 -1.17 -0.25 0.00 0.00 175.29 173.81 2khc s LEU 595 N 1.52 4.13 -0.17 2.90 0.20 -1.26 -2.03 118.68 123.96 2khc s LEU 595 Ca 0.04 1.64 -0.06 0.00 0.69 0.00 0.00 54.13 56.43 2khc s LEU 595 Cb -0.25 -4.20 0.08 0.00 -0.43 0.00 0.00 46.19 41.39 2khc s LEU 595 CO 0.03 -0.20 0.36 -1.59 -0.29 0.00 0.00 176.35 174.66 2khc s LYS 596 N -2.67 0.26 0.00 1.98 0.00 -0.50 -4.98 119.74 113.82 2khc s LYS 596 Ca 0.55 0.93 0.06 0.00 0.00 0.00 0.00 55.97 57.51 2khc s LYS 596 Cb -0.13 0.19 0.05 0.00 0.00 0.00 0.00 37.83 37.94 2khc s LYS 596 CO 0.18 -0.26 0.70 0.36 0.00 0.00 0.00 175.35 176.32