#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 0.11 0.00 0.00 0.00 -2.14 -3.48 119.26 113.76 2khc h ALA 481 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.24 2khc h ALA 481 Cb 0.00 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2khc h ALA 481 CO 0.00 0.62 0.00 0.41 0.00 0.00 0.00 179.25 180.28 2khc n GLY 482 N 1.09 0.49 3.56 0.00 0.00 -1.26 -5.06 105.19 104.01 2khc n GLY 482 Ca -0.11 -0.87 -0.34 0.00 0.00 0.00 0.00 46.02 44.70 2khc n GLY 482 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2khc s LEU 483 N 0.00 3.23 0.25 0.99 1.02 -1.26 -5.12 118.68 117.79 2khc s LEU 483 Ca 0.00 -0.04 0.03 0.00 0.02 0.00 0.00 54.13 54.14 2khc s LEU 483 Cb 0.00 -1.73 -0.03 0.00 0.02 0.00 0.00 46.19 44.45 2khc s LEU 483 CO 0.00 0.30 0.40 -2.16 0.02 0.00 0.00 176.35 174.91 2khc s PRO 484 N -0.44 3.46 -0.24 1.29 0.04 -1.26 -5.10 135.00 132.75 2khc s PRO 484 Ca 0.07 -0.61 -0.08 0.00 0.04 0.00 0.00 61.00 60.42 2khc s PRO 484 Cb -0.12 -2.84 -0.03 0.00 0.04 0.00 0.00 34.50 31.54 2khc s PRO 484 CO 0.02 0.37 0.08 -0.65 0.04 0.00 0.00 177.00 176.87 2khc s GLN 485 N -3.93 3.77 -0.03 4.56 -0.21 -1.26 -5.09 119.66 117.47 2khc s GLN 485 Ca 0.36 -0.42 0.04 0.00 0.02 0.00 0.00 55.36 55.35 2khc s GLN 485 Cb -0.09 -3.34 -0.00 0.00 1.00 0.00 0.00 33.01 30.57 2khc s GLN 485 CO 0.31 -0.07 -0.14 0.12 -2.12 0.00 0.00 175.29 173.38 2khc s PHE 486 N 1.32 1.43 0.00 0.91 2.19 -1.26 -4.76 117.98 117.80 2khc s PHE 486 Ca 0.05 -0.38 0.00 0.00 0.33 0.00 0.00 56.93 56.94 2khc s PHE 486 Cb -0.15 -0.97 0.00 0.00 -1.31 0.00 0.00 43.02 40.59 2khc s PHE 486 CO 0.04 -0.12 0.00 0.41 1.83 0.00 0.00 175.22 177.38 2khc n GLY 487 N 3.13 1.53 3.71 13.12 0.00 -1.26 -5.10 105.19 120.32 2khc n GLY 487 Ca -0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.46 2khc n GLY 487 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2khc n SER 488 N 0.00 2.16 -4.89 1.61 2.88 -1.26 -5.00 113.62 109.12 2khc n SER 488 Ca 0.00 0.92 -0.30 0.00 -1.33 0.00 0.00 58.87 58.17 2khc n SER 488 Cb 0.00 -1.53 -0.04 0.00 -0.75 0.00 0.00 64.21 61.89 2khc n SER 488 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2khc s ALA 489 N -1.34 3.57 0.07 -1.46 0.00 -1.26 -5.10 121.76 116.23 2khc s ALA 489 Ca 0.74 -0.43 0.08 0.00 0.00 0.00 0.00 51.96 52.35 2khc s ALA 489 Cb -0.42 -2.39 -0.03 0.00 0.00 0.00 0.00 23.12 20.28 2khc s ALA 489 CO 0.47 0.27 -0.23 -1.12 0.00 0.00 0.00 175.76 175.16 2khc s SER 490 N -2.96 2.74 -0.08 0.00 0.01 -1.26 -5.12 113.70 107.03 2khc s SER 490 Ca 0.46 -0.60 -0.26 0.00 1.31 0.00 0.00 55.95 56.86 2khc s SER 490 Cb -0.11 -0.21 -0.03 0.00 0.21 0.00 0.00 66.02 65.89 2khc s SER 490 CO 0.28 0.16 0.84 0.00 0.41 0.00 0.00 173.24 174.94 2khc s ALA 491 N -0.91 3.35 -0.19 1.44 0.00 -1.26 -5.04 121.76 119.15 2khc s ALA 491 Ca 0.09 0.24 -0.01 0.00 0.00 0.00 0.00 51.96 52.27 2khc s ALA 491 Cb -0.09 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 19.84 2khc s ALA 491 CO 0.03 -0.35 -0.11 -0.51 0.00 0.00 0.00 175.76 174.82 2khc s LEU 492 N 1.38 2.58 0.57 0.00 1.02 -1.26 -5.12 118.68 117.85 2khc s LEU 492 Ca 0.43 -0.48 -0.08 0.00 0.02 0.00 0.00 54.13 54.02 2khc s LEU 492 Cb -0.18 -1.62 -0.02 0.00 0.02 0.00 0.00 46.19 44.38 2khc s LEU 492 CO 0.19 0.01 0.92 -0.44 0.02 0.00 0.00 176.35 177.05 2khc s SER 493 N 1.25 6.04 -0.09 2.29 0.01 -1.26 -5.08 113.70 116.86 2khc s SER 493 Ca 0.03 1.06 -0.03 0.00 1.31 0.00 0.00 55.95 58.32 2khc s SER 493 Cb -0.14 -2.18 -0.03 0.00 0.21 0.00 0.00 66.02 63.87 2khc s SER 493 CO -0.05 -0.84 0.02 0.42 0.41 0.00 0.00 173.24 173.20 2khc s THR 494 N -2.99 4.47 -0.22 1.44 -4.23 -1.26 -5.10 115.64 107.75 2khc s THR 494 Ca 0.52 -0.19 -0.16 0.00 -1.18 0.00 0.00 61.69 60.69 2khc s THR 494 Cb -0.11 -2.89 -0.04 0.00 1.34 0.00 0.00 72.50 70.80 2khc s THR 494 CO 0.48 0.60 0.41 -0.94 -0.54 0.00 0.00 174.62 174.64 2khc s SER 495 N -0.86 6.40 0.93 3.99 1.04 -1.26 -5.06 113.70 118.88 2khc s SER 495 Ca 0.13 0.47 -0.12 0.00 0.48 0.00 0.00 55.95 56.91 2khc s SER 495 Cb -0.11 -2.23 0.05 0.00 0.10 0.00 0.00 66.02 63.82 2khc s SER 495 CO 0.02 -0.12 0.57 -2.65 0.98 0.00 0.00 173.24 172.04 2khc n PRO 496 N 4.78 -0.27 -1.02 4.02 -0.02 -1.26 -4.97 135.00 136.25 2khc n PRO 496 Ca -0.08 -0.03 -0.04 0.00 -2.02 0.00 0.00 63.50 61.33 2khc n PRO 496 Cb 0.51 -1.96 -0.04 0.00 -0.02 0.00 0.00 33.50 31.98 2khc n PRO 496 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2khc n LEU 497 N -1.82 -0.50 0.00 2.45 0.00 -1.26 -4.97 117.00 110.90 2khc n LEU 497 Ca 0.08 -1.86 0.00 0.00 0.00 0.00 0.00 56.01 54.23 2khc n LEU 497 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.95 2khc n LEU 497 CO 0.50 1.23 0.00 0.00 0.00 0.00 0.00 177.39 179.12 2khc n ALA 498 N 0.09 0.00 -4.46 1.96 0.00 -1.26 -5.16 120.51 111.68 2khc n ALA 498 Ca -0.18 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.03 2khc n ALA 498 Cb 0.76 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.16 2khc n ALA 498 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2khc n SER 499 N -1.77 2.52 -3.86 0.00 7.64 -1.26 -5.16 113.62 111.74 2khc n SER 499 Ca 0.00 -2.61 -0.20 0.00 1.01 0.00 0.00 58.87 57.06 2khc n SER 499 Cb 0.00 0.39 -0.17 0.00 -1.01 0.00 0.00 64.21 63.43 2khc n SER 499 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2khc s VAL 500 N -2.42 0.45 0.01 0.44 -7.23 -1.26 -4.78 120.40 105.61 2khc s VAL 500 Ca 0.04 -0.04 -0.30 0.00 -1.81 0.00 0.00 61.98 59.87 2khc s VAL 500 Cb 0.00 -0.51 -0.06 0.00 0.56 0.00 0.00 36.38 36.37 2khc s VAL 500 CO 0.03 0.22 1.42 0.00 -0.31 0.00 0.00 175.10 176.46 2khc s ALA 501 N 1.16 3.59 0.43 1.32 0.00 -1.26 -5.01 121.76 122.00 2khc s ALA 501 Ca -0.07 0.91 -0.12 0.00 0.00 0.00 0.00 51.96 52.68 2khc s ALA 501 Cb -0.14 -3.60 -0.07 0.00 0.00 0.00 0.00 23.12 19.31 2khc s ALA 501 CO -0.01 -0.92 0.83 -1.17 0.00 0.00 0.00 175.76 174.48 2khc s LEU 502 N 2.39 3.79 -0.66 0.00 2.96 -1.26 -5.01 118.68 120.88 2khc s LEU 502 Ca 0.65 1.26 -0.25 0.00 -0.22 0.00 0.00 54.13 55.57 2khc s LEU 502 Cb -0.32 -4.15 0.05 0.00 0.50 0.00 0.00 46.19 42.27 2khc s LEU 502 CO 0.27 -0.44 1.08 -0.55 -1.32 0.00 0.00 176.35 175.39 2khc s SER 503 N -3.09 6.21 0.23 3.68 0.15 -1.26 -5.02 113.70 114.60 2khc s SER 503 Ca 0.53 -0.65 -0.15 0.00 0.70 0.00 0.00 55.95 56.38 2khc s SER 503 Cb -0.10 -2.48 -0.08 0.00 -1.71 0.00 0.00 66.02 61.65 2khc s SER 503 CO 0.31 -1.54 0.65 0.00 1.20 0.00 0.00 173.24 173.86 2khc s ALA 504 N 4.65 3.46 0.41 5.45 0.00 -1.26 -5.04 121.76 129.43 2khc s ALA 504 Ca 0.29 -0.02 -0.26 0.00 0.00 0.00 0.00 51.96 51.97 2khc s ALA 504 Cb -0.13 -2.67 -0.09 0.00 0.00 0.00 0.00 23.12 20.24 2khc s ALA 504 CO 0.14 0.39 1.38 0.00 0.00 0.00 0.00 175.76 177.67 2khc s ALA 505 N -1.68 3.31 -1.08 0.00 0.00 -1.26 -4.95 121.76 116.10 2khc s ALA 505 Ca 0.45 1.37 -0.11 0.00 0.00 0.00 0.00 51.96 53.68 2khc s ALA 505 Cb -0.14 -3.54 0.25 0.00 0.00 0.00 0.00 23.12 19.70 2khc s ALA 505 CO 0.20 -0.99 1.11 0.00 0.00 0.00 0.00 175.76 176.07 2khc s ALA 506 N -1.21 4.53 0.36 0.00 0.00 -1.26 -5.04 121.76 119.14 2khc s ALA 506 Ca 0.57 -3.69 -0.28 0.00 0.00 0.00 0.00 51.96 48.56 2khc s ALA 506 Cb -0.42 -3.64 -0.10 0.00 0.00 0.00 0.00 23.12 18.96 2khc s ALA 506 CO 0.54 -2.30 1.38 0.00 0.00 0.00 0.00 175.76 175.37 2khc s ALA 507 N -0.63 3.51 -0.59 0.00 0.00 -1.26 -4.99 121.76 117.79 2khc s ALA 507 Ca 0.30 1.38 0.04 0.00 0.00 0.00 0.00 51.96 53.69 2khc s ALA 507 Cb -0.09 -3.53 0.16 0.00 0.00 0.00 0.00 23.12 19.66 2khc s ALA 507 CO -0.07 -0.82 0.40 0.00 0.00 0.00 0.00 175.76 175.27 2khc s ALA 508 N -1.14 3.12 0.15 0.00 0.00 -1.26 -5.09 121.76 117.54 2khc s ALA 508 Ca 0.51 -3.36 -0.28 0.00 0.00 0.00 0.00 51.96 48.83 2khc s ALA 508 Cb -0.42 -2.04 -0.07 0.00 0.00 0.00 0.00 23.12 20.59 2khc s ALA 508 CO 0.57 -2.06 0.87 0.00 0.00 0.00 0.00 175.76 175.14 2khc s ALA 509 N -0.78 3.35 0.16 0.00 0.00 -1.26 -5.06 121.76 118.17 2khc s ALA 509 Ca 0.24 0.49 0.05 0.00 0.00 0.00 0.00 51.96 52.74 2khc s ALA 509 Cb -0.09 -3.13 -0.05 0.00 0.00 0.00 0.00 23.12 19.85 2khc s ALA 509 CO -0.12 0.14 -0.11 0.00 0.00 0.00 0.00 175.76 175.67 2khc s ALA 510 N -0.67 1.62 0.00 0.00 0.00 -1.26 -4.53 121.76 116.92 2khc s ALA 510 Ca 0.41 -1.54 0.00 0.00 0.00 0.00 0.00 51.96 50.82 2khc s ALA 510 Cb -0.24 0.02 0.00 0.00 0.00 0.00 0.00 23.12 22.90 2khc s ALA 510 CO 0.28 -0.05 0.00 0.41 0.00 0.00 0.00 175.76 176.40 2khc n GLY 511 N -0.25 0.00 3.60 0.00 0.00 -1.24 -4.73 105.19 102.57 2khc n GLY 511 Ca -0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 2khc n GLY 511 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2khc s LYS 512 N 0.00 3.14 -0.16 1.61 0.00 -1.26 -4.07 119.74 119.00 2khc s LYS 512 Ca 0.00 1.92 -0.03 0.00 0.00 0.00 0.00 55.97 57.86 2khc s LYS 512 Cb 0.00 -4.35 -0.02 0.00 0.00 0.00 0.00 37.83 33.46 2khc s LYS 512 CO 0.00 -2.10 -0.05 1.14 0.00 0.00 0.00 175.35 174.34 2khc s GLN 513 N 6.28 3.61 -0.19 1.78 -2.07 -1.18 -1.40 119.66 126.49 2khc s GLN 513 Ca 0.97 -0.55 0.01 0.00 -1.82 0.00 0.00 55.36 53.97 2khc s GLN 513 Cb -0.31 -2.88 0.03 0.00 -1.09 0.00 0.00 33.01 28.76 2khc s GLN 513 CO 0.35 0.21 -0.17 0.42 -1.32 0.00 0.00 175.29 174.77 2khc s ILE 514 N 0.44 1.98 -0.51 3.63 -1.09 0.33 -4.88 121.20 121.11 2khc s ILE 514 Ca -0.05 -1.03 -0.35 0.00 -2.23 0.00 0.00 60.65 57.00 2khc s ILE 514 Cb -0.14 -1.87 -0.14 0.00 -1.58 0.00 0.00 42.46 38.72 2khc s ILE 514 CO 0.03 0.40 2.30 -0.62 -1.23 0.00 0.00 174.94 175.83 2khc n GLU 515 N 4.61 0.70 -4.11 2.79 1.02 -1.26 -4.11 120.64 120.29 2khc n GLU 515 Ca -0.19 0.15 -0.11 0.00 -0.02 0.00 0.00 57.16 57.00 2khc n GLU 515 Cb 0.48 -2.26 -0.08 0.00 -0.02 0.00 0.00 31.44 29.56 2khc n GLU 515 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2khc s GLY 516 N 8.06 1.05 0.08 0.62 0.00 -1.26 -4.95 107.32 110.91 2khc s GLY 516 Ca 1.15 -1.35 -0.29 0.00 0.00 0.00 0.00 44.72 44.22 2khc s GLY 516 CO 0.49 -1.10 0.93 2.56 0.00 0.00 0.00 173.10 175.98 2khc s PRO 517 N -4.09 4.64 1.00 2.90 0.04 -1.26 -4.89 135.00 133.34 2khc s PRO 517 Ca 0.31 1.38 -0.13 0.00 0.04 0.00 0.00 61.00 62.61 2khc s PRO 517 Cb 0.04 -3.39 0.19 0.00 0.04 0.00 0.00 34.50 31.38 2khc s PRO 517 CO 0.10 0.17 1.10 -1.21 0.04 0.00 0.00 177.00 177.19 2khc s GLU 518 N 0.22 0.40 0.00 4.56 2.02 -1.26 -3.89 118.70 120.75 2khc s GLU 518 Ca 0.47 0.45 0.00 0.00 0.02 0.00 0.00 54.97 55.91 2khc s GLU 518 Cb -0.22 -1.74 0.00 0.00 0.10 0.00 0.00 34.13 32.27 2khc s GLU 518 CO 0.28 -2.73 0.00 0.41 0.02 0.00 0.00 175.26 173.24 2khc n GLY 519 N -1.21 0.79 0.99 -1.39 0.00 -1.26 -4.91 105.19 98.20 2khc n GLY 519 Ca 0.05 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.09 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 -3.07 6.56 0.07 0.00 2.47 -0.65 -2.10 114.94 118.21 2khc s ASN 521 Ca 0.38 0.66 0.07 0.00 0.42 0.00 0.00 52.86 54.39 2khc s ASN 521 Cb 0.38 -2.18 -0.03 0.00 -1.45 0.00 0.00 41.25 37.97 2khc s ASN 521 CO -0.08 0.26 -0.19 -0.22 -3.72 0.00 0.00 177.10 173.16 2khc s LEU 522 N -0.49 2.23 -0.19 3.21 2.96 -0.72 -1.45 118.68 124.23 2khc s LEU 522 Ca 0.19 -0.58 0.01 0.00 -0.22 0.00 0.00 54.13 53.52 2khc s LEU 522 Cb -0.14 -0.81 0.03 0.00 0.50 0.00 0.00 46.19 45.77 2khc s LEU 522 CO 0.07 0.07 -0.16 0.12 -1.32 0.00 0.00 176.35 175.13 2khc s PHE 523 N -1.00 2.67 0.13 5.38 2.19 -0.89 -2.19 117.98 124.27 2khc s PHE 523 Ca 0.05 -1.64 0.11 0.00 0.33 0.00 0.00 56.93 55.77 2khc s PHE 523 Cb -0.09 -1.82 -0.04 0.00 -1.31 0.00 0.00 43.02 39.76 2khc s PHE 523 CO 0.03 -0.78 -0.26 0.96 1.83 0.00 0.00 175.22 177.00 2khc s ILE 524 N 1.32 2.20 -0.33 3.12 -0.00 -0.90 -2.16 121.20 124.44 2khc s ILE 524 Ca 0.02 -1.76 0.01 0.00 -0.00 0.00 0.00 60.65 58.92 2khc s ILE 524 Cb -0.14 -1.96 0.14 0.00 -0.00 0.00 0.00 42.46 40.50 2khc s ILE 524 CO -0.11 0.05 0.30 -0.72 -0.00 0.00 0.00 174.94 174.46 2khc s TYR 525 N -1.14 -0.10 0.00 1.37 1.13 -0.93 -1.58 117.35 116.10 2khc s TYR 525 Ca 0.14 -0.78 0.00 0.00 -1.41 0.00 0.00 57.07 55.02 2khc s TYR 525 Cb -0.10 -0.56 0.00 0.00 -1.10 0.00 0.00 41.96 40.20 2khc s TYR 525 CO 0.06 -0.92 0.00 1.58 -2.51 0.00 0.00 175.55 173.77 2khc n HIS 526 N 4.63 0.00 -2.27 -3.49 -0.00 -0.17 -3.90 115.22 110.02 2khc n HIS 526 Ca 0.06 0.00 -0.37 0.00 0.46 0.00 0.00 57.72 57.86 2khc n HIS 526 Cb 0.44 0.00 -0.01 0.00 -0.12 0.00 0.00 29.99 30.30 2khc n HIS 526 CO 0.00 0.00 0.00 -0.48 0.46 0.00 0.00 176.34 176.32 2khc s LEU 527 N -3.43 4.04 0.79 0.27 0.05 0.16 -3.36 118.68 117.19 2khc s LEU 527 Ca 0.00 2.30 -0.08 0.00 0.05 0.00 0.00 54.13 56.40 2khc s LEU 527 Cb 0.00 -4.21 0.12 0.00 -2.05 0.00 0.00 46.19 40.04 2khc s LEU 527 CO 0.00 -0.88 1.11 -2.16 -0.55 0.00 0.00 176.35 173.88 2khc s PRO 528 N -2.65 1.61 0.64 1.48 0.04 -1.26 0.58 135.00 135.44 2khc s PRO 528 Ca 0.63 -0.46 0.23 0.00 0.04 0.00 0.00 61.00 61.44 2khc s PRO 528 Cb -0.29 -2.09 1.20 0.00 0.04 0.00 0.00 34.50 33.36 2khc s PRO 528 CO 0.35 -1.65 1.67 -0.56 0.04 0.00 0.00 177.00 176.85 2khc h GLN 529 N -0.92 0.00 -0.02 4.56 -0.00 -1.77 0.44 115.11 117.40 2khc h GLN 529 Ca -0.43 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.22 2khc h GLN 529 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.76 2khc h GLN 529 CO 0.50 0.00 0.00 -0.85 -0.00 0.00 0.00 178.83 178.48 2khc n GLU 530 N -3.04 1.33 -3.59 0.06 0.28 -1.26 -4.85 120.64 109.57 2khc n GLU 530 Ca 0.03 -0.48 -0.37 0.00 -0.16 0.00 0.00 57.16 56.18 2khc n GLU 530 Cb 0.68 -1.47 -0.06 0.00 1.43 0.00 0.00 31.44 32.02 2khc n GLU 530 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 177.13 177.09 2khc s PHE 531 N -1.99 3.67 0.12 -1.84 5.36 0.14 -5.09 117.98 118.35 2khc s PHE 531 Ca 0.42 0.85 0.06 0.00 -0.96 0.00 0.00 56.93 57.29 2khc s PHE 531 Cb 0.21 -2.18 -0.04 0.00 -0.34 0.00 0.00 43.02 40.66 2khc s PHE 531 CO 0.34 0.63 0.02 0.95 -1.46 0.00 0.00 175.22 175.70 2khc s THR 532 N -1.16 3.99 0.39 0.12 -4.23 0.67 -4.86 115.64 110.55 2khc s THR 532 Ca 0.25 -1.12 0.20 0.00 -1.18 0.00 0.00 61.69 59.84 2khc s THR 532 Cb -0.15 -2.95 0.21 0.00 1.34 0.00 0.00 72.50 70.95 2khc s THR 532 CO 0.13 0.03 1.97 -2.24 -0.54 0.00 0.00 174.62 173.97 2khc h ASP 533 N 3.10 0.00 -0.37 3.99 3.04 -1.77 -2.57 116.42 121.84 2khc h ASP 533 Ca -0.47 0.00 0.11 0.00 -3.24 0.00 0.00 57.03 53.42 2khc h ASP 533 Cb 1.18 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.45 2khc h ASP 533 CO 0.60 0.21 0.27 0.74 -2.04 0.00 0.00 179.24 179.01 2khc h THR 534 N 0.00 0.81 -0.14 1.15 2.02 -1.86 -2.12 112.91 112.77 2khc h THR 534 Ca -0.00 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 2khc h THR 534 Cb 0.46 0.82 -0.00 0.00 -1.74 0.00 0.00 68.15 67.68 2khc h THR 534 CO 0.03 0.00 -0.03 -0.78 0.37 0.00 0.00 175.52 175.11 2khc h ASP 535 N 0.00 0.27 -0.44 4.18 1.82 -1.83 -2.09 116.42 118.32 2khc h ASP 535 Ca 0.17 -0.36 -0.03 0.00 -0.39 0.00 0.00 57.03 56.42 2khc h ASP 535 Cb 0.70 -0.07 -0.02 0.00 0.68 0.00 0.00 39.33 40.62 2khc h ASP 535 CO -0.00 0.57 0.15 -0.07 -1.61 0.00 0.00 179.24 178.27 2khc h LEU 536 N -0.04 0.63 -0.93 2.28 4.07 -1.56 -2.48 115.31 117.29 2khc h LEU 536 Ca 0.04 -0.20 -0.02 0.00 0.08 0.00 0.00 57.88 57.78 2khc h LEU 536 Cb 0.45 -0.17 -0.04 0.00 1.08 0.00 0.00 40.66 41.98 2khc h LEU 536 CO 0.01 0.66 0.46 0.00 -1.08 0.00 0.00 178.44 178.49 2khc h ALA 537 N 1.00 1.18 0.35 1.53 0.00 -1.45 -1.96 119.26 119.90 2khc h ALA 537 Ca 0.14 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2khc h ALA 537 Cb 0.25 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2khc h ALA 537 CO -0.01 0.65 -0.17 1.03 0.00 0.00 0.00 179.25 180.76 2khc h SER 538 N 1.22 -0.40 -0.73 0.00 0.87 -1.18 -0.29 113.55 113.03 2khc h SER 538 Ca 0.30 -0.04 0.03 0.00 -1.23 0.00 0.00 61.79 60.85 2khc h SER 538 Cb 0.05 0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 62.08 2khc h SER 538 CO -0.05 -0.22 0.48 0.74 -0.53 0.00 0.00 176.83 177.26 2khc h THR 539 N -0.56 1.14 0.00 2.23 2.02 -1.41 -2.26 112.91 114.06 2khc h THR 539 Ca -0.05 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 66.81 2khc h THR 539 Cb 0.42 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 66.96 2khc h THR 539 CO 0.08 0.17 0.00 0.33 0.37 0.00 0.00 175.52 176.47 2khc n PHE 540 N -4.44 0.10 -0.51 3.16 7.35 -0.74 -4.65 117.46 117.72 2khc n PHE 540 Ca 0.09 0.03 0.43 0.00 -0.76 0.00 0.00 57.45 57.24 2khc n PHE 540 Cb 0.09 -0.55 0.70 0.00 0.35 0.00 0.00 39.48 40.07 2khc n PHE 540 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 2khc n LEU 541 N -1.59 0.18 -0.39 -2.13 4.77 -0.14 0.01 117.00 117.70 2khc n LEU 541 Ca 0.05 1.33 0.35 0.00 -0.03 0.00 0.00 56.01 57.71 2khc n LEU 541 Cb 0.26 -0.66 0.63 0.00 -2.33 0.00 0.00 43.42 41.32 2khc n LEU 541 CO 0.21 -1.43 1.15 -0.65 -1.33 0.00 0.00 177.39 175.33 2khc h PRO 542 N 0.00 0.03 -3.93 3.23 0.11 -1.87 -2.97 132.00 126.60 2khc h PRO 542 Ca 0.90 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 67.00 2khc h PRO 542 Cb 3.00 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 34.11 2khc h PRO 542 CO -0.40 0.02 0.62 1.97 -0.21 0.00 0.00 178.00 180.00 2khc n PHE 543 N -4.99 0.00 0.00 0.65 1.16 0.10 -4.73 117.46 109.65 2khc n PHE 543 Ca 0.39 -0.30 0.00 0.00 -1.87 0.00 0.00 57.45 55.67 2khc n PHE 543 Cb 1.40 -0.46 0.00 0.00 -1.61 0.00 0.00 39.48 38.80 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 3.39 0.00 3.47 4.97 0.00 -1.12 -4.11 105.19 111.79 2khc n GLY 544 Ca 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 46.02 45.41 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 1.18 -4.43 1.61 3.02 -0.64 -4.81 115.26 111.20 2khc n ASN 545 Ca 0.00 0.85 -0.40 0.00 -0.03 0.00 0.00 54.58 55.00 2khc n ASN 545 Cb 0.00 -0.95 -0.11 0.00 -0.61 0.00 0.00 39.78 38.10 2khc n ASN 545 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2khc s VAL 546 N 4.98 4.69 -0.39 2.41 -7.23 -1.26 -1.90 120.40 121.71 2khc s VAL 546 Ca 1.12 -0.55 0.03 0.00 -1.81 0.00 0.00 61.98 60.77 2khc s VAL 546 Cb -1.40 -3.47 0.11 0.00 0.56 0.00 0.00 36.38 32.18 2khc s VAL 546 CO 0.69 -0.05 0.12 -0.63 -0.31 0.00 0.00 175.10 174.92 2khc s ILE 547 N 1.61 2.53 0.22 -0.62 1.09 -0.81 0.12 121.20 125.34 2khc s ILE 547 Ca 0.04 -2.49 0.06 0.00 -1.10 0.00 0.00 60.65 57.16 2khc s ILE 547 Cb -0.18 -2.82 -0.04 0.00 -1.06 0.00 0.00 42.46 38.37 2khc s ILE 547 CO 0.07 -0.66 0.18 -0.94 -0.10 0.00 0.00 174.94 173.49 2khc s SER 548 N 0.82 5.56 0.08 3.58 1.04 -0.49 -1.58 113.70 122.72 2khc s SER 548 Ca 0.12 -0.19 -0.12 0.00 0.48 0.00 0.00 55.95 56.24 2khc s SER 548 Cb -0.21 -1.44 0.01 0.00 0.10 0.00 0.00 66.02 64.48 2khc s SER 548 CO -0.06 0.00 0.27 0.00 0.98 0.00 0.00 173.24 174.43 2khc s ALA 549 N -1.98 -0.53 0.02 5.32 0.00 -0.80 -3.72 121.76 120.07 2khc s ALA 549 Ca 0.32 -0.28 0.04 0.00 0.00 0.00 0.00 51.96 52.03 2khc s ALA 549 Cb -0.09 0.48 -0.02 0.00 0.00 0.00 0.00 23.12 23.49 2khc s ALA 549 CO 0.25 -0.50 -0.11 -1.59 0.00 0.00 0.00 175.76 173.80 2khc s LYS 550 N -3.40 0.81 -0.34 0.00 -2.85 -1.26 -2.16 119.74 110.54 2khc s LYS 550 Ca 0.01 -0.58 0.03 0.00 -1.00 0.00 0.00 55.97 54.42 2khc s LYS 550 Cb 0.02 -0.77 0.10 0.00 -2.06 0.00 0.00 37.83 35.12 2khc s LYS 550 CO -0.09 0.20 0.08 0.08 0.10 0.00 0.00 175.35 175.71 2khc s VAL 551 N -0.65 1.85 -0.18 1.79 1.01 -0.61 -4.88 120.40 118.72 2khc s VAL 551 Ca 0.01 -2.10 -0.24 0.00 0.00 0.00 0.00 61.98 59.65 2khc s VAL 551 Cb -0.06 -2.37 -0.02 0.00 0.00 0.00 0.00 36.38 33.93 2khc s VAL 551 CO 0.00 -0.64 0.77 -0.36 0.00 0.00 0.00 175.10 174.88 2khc s PHE 552 N 1.07 3.41 -0.04 5.22 0.40 -1.26 -2.12 117.98 124.66 2khc s PHE 552 Ca 0.11 1.16 0.03 0.00 -0.60 0.00 0.00 56.93 57.63 2khc s PHE 552 Cb -0.19 -2.95 0.00 0.00 0.51 0.00 0.00 43.02 40.39 2khc s PHE 552 CO -0.13 -0.22 -0.13 0.42 0.70 0.00 0.00 175.22 175.86 2khc s ILE 553 N 2.09 1.12 -0.10 0.64 1.01 -1.26 -4.88 121.20 119.82 2khc s ILE 553 Ca 0.35 -0.53 -0.24 0.00 0.00 0.00 0.00 60.65 60.24 2khc s ILE 553 Cb -0.16 -0.99 0.05 0.00 0.01 0.00 0.00 42.46 41.37 2khc s ILE 553 CO 0.12 0.34 0.56 1.51 0.00 0.00 0.00 174.94 177.47 2khc s ASP 554 N 0.23 -0.53 0.06 3.58 1.47 -1.25 -3.22 116.67 117.02 2khc s ASP 554 Ca -0.06 0.72 -0.20 0.00 1.18 0.00 0.00 52.55 54.20 2khc s ASP 554 Cb -0.11 0.70 -0.08 0.00 -0.34 0.00 0.00 42.92 43.09 2khc s ASP 554 CO 0.02 -0.44 1.31 0.50 0.68 0.00 0.00 175.17 177.25 2khc h LYS 555 N 3.94 -0.40 0.00 2.11 3.11 -1.77 -3.40 116.57 120.16 2khc h LYS 555 Ca -0.28 0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.59 2khc h LYS 555 Cb 1.16 0.09 0.00 0.00 -1.00 0.00 0.00 32.23 32.48 2khc h LYS 555 CO 0.31 -0.27 0.00 0.94 -2.81 0.00 0.00 179.45 177.62 2khc n GLN 556 N -4.17 0.00 0.00 1.90 7.27 -1.26 -4.95 117.38 116.17 2khc n GLN 556 Ca -0.05 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.02 2khc n GLN 556 Cb 0.23 -0.29 0.00 0.00 2.41 0.00 0.00 30.24 32.59 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 -2.09 0.00 0.92 1.69 5.66 -1.26 -4.88 114.28 114.32 2khc n THR 557 Ca 0.00 0.00 0.09 0.00 -3.05 0.00 0.00 64.05 61.09 2khc n THR 557 Cb 0.00 -0.21 -0.11 0.00 -1.55 0.00 0.00 70.33 68.47 2khc n THR 557 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 2khc n SER 558 N -1.86 0.94 -3.53 1.09 7.64 -1.26 -4.68 113.62 111.96 2khc n SER 558 Ca 0.00 -0.97 0.00 0.00 1.01 0.00 0.00 58.87 58.91 2khc n SER 558 Cb 0.10 0.99 0.00 0.00 -1.01 0.00 0.00 64.21 64.28 2khc n SER 558 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2khc n LEU 559 N -1.42 0.00 -1.26 -3.43 4.77 -1.26 -4.91 117.00 109.49 2khc n LEU 559 Ca 0.04 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.90 2khc n LEU 559 Cb 0.31 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.41 2khc n LEU 559 CO 0.39 -0.01 -0.46 -0.24 -1.33 0.00 0.00 177.39 175.74 2khc n SER 560 N 0.00 -1.76 -3.01 -1.43 2.88 -1.26 -4.40 113.62 104.64 2khc n SER 560 Ca 0.00 0.05 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 2khc n SER 560 Cb 0.00 -0.23 0.00 0.00 -0.75 0.00 0.00 64.21 63.23 2khc n SER 560 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 2khc n LYS 561 N 0.79 -1.14 -1.13 -1.46 2.85 -1.26 -3.74 118.16 113.06 2khc n LYS 561 Ca -0.01 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.25 2khc n LYS 561 Cb 0.19 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.57 2khc n LYS 561 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2khc s PHE 563 N -6.13 0.85 0.25 0.00 -0.12 -0.90 0.37 117.98 112.30 2khc s PHE 563 Ca 0.00 -0.80 0.11 0.00 -0.05 0.00 0.00 56.93 56.18 2khc s PHE 563 Cb 0.00 -0.49 -0.05 0.00 -0.63 0.00 0.00 43.02 41.85 2khc s PHE 563 CO 0.00 -0.12 -0.19 0.20 -0.05 0.00 0.00 175.22 175.05 2khc s GLY 564 N -2.67 1.73 -0.14 1.99 0.00 -0.61 -1.58 107.32 106.04 2khc s GLY 564 Ca 0.06 -1.78 0.00 0.00 0.00 0.00 0.00 44.72 43.01 2khc s GLY 564 CO -0.03 -1.86 -0.15 -1.36 0.00 0.00 0.00 173.10 169.70 2khc s PHE 565 N -2.48 2.77 -0.17 1.90 0.40 -0.92 -2.13 117.98 117.35 2khc s PHE 565 Ca 0.26 -0.88 -0.02 0.00 -0.60 0.00 0.00 56.93 55.69 2khc s PHE 565 Cb -0.04 -1.86 0.05 0.00 0.51 0.00 0.00 43.02 41.68 2khc s PHE 565 CO 0.12 -0.37 -0.00 0.08 0.70 0.00 0.00 175.22 175.75 2khc s VAL 566 N 0.59 0.77 -0.34 -0.44 1.01 -0.93 -1.90 120.40 119.17 2khc s VAL 566 Ca -0.09 -0.55 -0.13 0.00 0.00 0.00 0.00 61.98 61.21 2khc s VAL 566 Cb -0.16 -1.11 -0.02 0.00 0.00 0.00 0.00 36.38 35.09 2khc s VAL 566 CO 0.03 -0.04 0.24 -0.55 0.00 0.00 0.00 175.10 174.78 2khc s SER 567 N 1.76 6.04 -0.20 3.32 0.15 -0.61 -1.76 113.70 122.40 2khc s SER 567 Ca -0.00 -0.42 -0.07 0.00 0.70 0.00 0.00 55.95 56.16 2khc s SER 567 Cb -0.16 -2.13 -0.04 0.00 -1.71 0.00 0.00 66.02 61.98 2khc s SER 567 CO -0.07 -0.23 0.05 -0.36 1.20 0.00 0.00 173.24 173.83 2khc s PHE 568 N 1.72 3.16 -0.50 3.44 0.08 -0.89 -1.92 117.98 123.07 2khc s PHE 568 Ca 0.06 -0.14 0.03 0.00 0.12 0.00 0.00 56.93 57.01 2khc s PHE 568 Cb -0.17 -2.12 0.13 0.00 -0.57 0.00 0.00 43.02 40.29 2khc s PHE 568 CO 0.10 -0.04 0.26 -0.51 -0.10 0.00 0.00 175.22 174.93 2khc s ASP 569 N 0.79 4.12 0.30 1.36 1.01 -0.80 -1.91 116.67 121.54 2khc s ASP 569 Ca 0.03 -2.92 -0.10 0.00 0.71 0.00 0.00 52.55 50.27 2khc s ASP 569 Cb -0.14 -1.46 0.04 0.00 1.01 0.00 0.00 42.92 42.38 2khc s ASP 569 CO 0.02 -0.24 0.58 -3.20 0.21 0.00 0.00 175.17 172.54 2khc n ASN 570 N 3.21 -1.67 -3.51 0.27 5.15 -1.25 -1.61 115.26 115.85 2khc n ASN 570 Ca 0.06 -2.28 -0.30 0.00 -0.60 0.00 0.00 54.58 51.46 2khc n ASN 570 Cb 0.33 2.82 0.28 0.00 -0.53 0.00 0.00 39.78 42.67 2khc n ASN 570 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2khc s PRO 571 N -2.16 -2.48 0.62 1.20 0.04 -1.26 -4.65 135.00 126.31 2khc s PRO 571 Ca 0.14 0.04 0.26 0.00 0.04 0.00 0.00 61.00 61.48 2khc s PRO 571 Cb -0.03 -1.44 1.28 0.00 0.04 0.00 0.00 34.50 34.35 2khc s PRO 571 CO 0.10 -4.56 1.72 -0.44 0.04 0.00 0.00 177.00 173.86 2khc h ASP 572 N -3.19 0.00 -0.82 6.66 3.32 -2.00 0.89 116.42 121.29 2khc h ASP 572 Ca -0.43 0.00 0.15 0.00 0.02 0.00 0.00 57.03 56.76 2khc h ASP 572 Cb 1.32 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.78 2khc h ASP 572 CO 0.29 0.00 0.40 0.28 -1.72 0.00 0.00 179.24 178.49 2khc h SER 573 N 0.00 0.46 -0.44 6.45 0.02 -1.97 0.39 113.55 118.46 2khc h SER 573 Ca 0.16 0.10 -0.03 0.00 -0.84 0.00 0.00 61.79 61.18 2khc h SER 573 Cb 1.36 0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.91 2khc h SER 573 CO -0.00 0.19 0.17 0.00 -1.14 0.00 0.00 176.83 176.05 2khc h ALA 574 N 1.56 0.57 -0.81 3.77 0.00 -1.08 -1.46 119.26 121.81 2khc h ALA 574 Ca 0.45 -0.15 0.14 0.00 0.00 0.00 0.00 54.91 55.35 2khc h ALA 574 Cb 0.65 -0.17 -0.09 0.00 0.00 0.00 0.00 17.79 18.18 2khc h ALA 574 CO -0.37 0.18 0.39 1.96 0.00 0.00 0.00 179.25 181.40 2khc h GLN 575 N 0.57 0.55 -0.89 0.00 4.20 -0.66 0.52 115.11 119.40 2khc h GLN 575 Ca 0.15 -0.03 0.11 0.00 0.06 0.00 0.00 58.65 58.93 2khc h GLN 575 Cb 0.20 -0.12 -0.07 0.00 0.30 0.00 0.00 27.48 27.79 2khc h GLN 575 CO -0.01 0.36 0.57 0.28 -0.67 0.00 0.00 178.83 179.37 2khc h VAL 576 N 0.57 0.94 -0.05 -0.54 2.07 0.63 0.25 116.25 120.12 2khc h VAL 576 Ca 0.44 -0.29 -0.05 0.00 0.82 0.00 0.00 66.70 67.62 2khc h VAL 576 Cb 0.62 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 2khc h VAL 576 CO -0.37 0.16 -0.19 0.00 0.02 0.00 0.00 177.57 177.19 2khc h ALA 577 N 1.56 1.59 0.09 1.67 0.00 0.67 -2.13 119.26 122.72 2khc h ALA 577 Ca 0.42 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 2khc h ALA 577 Cb 0.46 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2khc h ALA 577 CO -0.18 0.30 -0.05 0.82 0.00 0.00 0.00 179.25 180.14 2khc h ILE 578 N 0.08 1.08 -0.16 0.00 2.04 0.13 -2.36 117.51 118.31 2khc h ILE 578 Ca 0.01 -1.35 -0.14 0.00 1.00 0.00 0.00 64.86 64.38 2khc h ILE 578 Cb 0.38 1.85 0.00 0.00 -0.74 0.00 0.00 36.82 38.32 2khc h ILE 578 CO 0.03 0.30 -0.46 0.11 0.00 0.00 0.00 178.15 178.12 2khc h LYS 579 N -0.83 0.59 0.00 2.37 6.56 -1.43 -3.23 116.57 120.60 2khc h LYS 579 Ca -0.01 -0.42 0.00 0.00 -1.06 0.00 0.00 60.65 59.15 2khc h LYS 579 Cb 0.58 0.07 0.00 0.00 -0.57 0.00 0.00 32.23 32.31 2khc h LYS 579 CO 0.02 1.04 0.00 0.00 -2.06 0.00 0.00 179.45 178.45 2khc h ALA 580 N 0.55 1.00 -3.21 3.86 0.00 -1.55 -3.44 119.26 116.46 2khc h ALA 580 Ca -0.01 0.00 -0.61 0.00 0.00 0.00 0.00 54.91 54.29 2khc h ALA 580 Cb 1.08 0.00 -0.35 0.00 0.00 0.00 0.00 17.79 18.52 2khc h ALA 580 CO 0.10 0.00 -0.84 1.41 0.00 0.00 0.00 179.25 179.92 2khc s MET 581 N -3.38 2.41 0.64 0.00 -2.45 -0.89 -5.05 119.30 110.59 2khc s MET 581 Ca 0.05 -0.62 -0.11 0.00 -1.25 0.00 0.00 55.69 53.76 2khc s MET 581 Cb 0.07 -2.06 -0.02 0.00 1.25 0.00 0.00 34.83 34.07 2khc s MET 581 CO 0.59 -0.10 1.04 -0.80 1.05 0.00 0.00 175.02 176.81 2khc s ASN 582 N 1.08 5.96 0.00 1.11 -0.87 -1.26 -4.68 114.94 116.28 2khc s ASN 582 Ca -0.04 1.48 0.00 0.00 -1.57 0.00 0.00 52.86 52.74 2khc s ASN 582 Cb -0.14 -2.48 0.00 0.00 -0.02 0.00 0.00 41.25 38.61 2khc s ASN 582 CO -0.04 -1.05 0.34 0.61 -2.57 0.00 0.00 177.10 174.38 2khc n GLY 583 N -2.51 -0.69 2.92 0.66 0.00 -1.26 -4.98 105.19 99.34 2khc n GLY 583 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.24 2.19 -0.40 1.61 5.36 -1.26 -4.76 117.98 120.48 2khc s PHE 584 Ca 0.00 -1.58 -0.14 0.00 -0.96 0.00 0.00 56.93 54.25 2khc s PHE 584 Cb 0.00 -1.50 0.02 0.00 -0.34 0.00 0.00 43.02 41.20 2khc s PHE 584 CO 0.00 -0.74 0.28 -0.65 -1.46 0.00 0.00 175.22 172.65 2khc s GLN 585 N 1.46 2.95 0.16 10.12 -0.21 -1.25 -2.31 119.66 130.58 2khc s GLN 585 Ca -0.04 -1.03 0.08 0.00 0.02 0.00 0.00 55.36 54.39 2khc s GLN 585 Cb -0.18 -3.93 -0.04 0.00 1.00 0.00 0.00 33.01 29.86 2khc s GLN 585 CO -0.07 -0.74 -0.17 0.08 -2.12 0.00 0.00 175.29 172.28 2khc s VAL 586 N 1.66 1.72 0.49 1.09 1.01 -0.90 -4.97 120.40 120.50 2khc s VAL 586 Ca 0.04 -1.91 0.37 0.00 0.00 0.00 0.00 61.98 60.48 2khc s VAL 586 Cb -0.19 -1.81 0.57 0.00 0.00 0.00 0.00 36.38 34.95 2khc s VAL 586 CO 0.09 -0.36 1.63 1.23 0.00 0.00 0.00 175.10 177.69 2khc h GLY 587 N 3.22 0.74 -5.91 4.51 0.00 -2.07 -2.39 103.07 101.18 2khc h GLY 587 Ca -0.41 -0.07 -0.40 0.00 0.00 0.00 0.00 47.33 46.45 2khc h GLY 587 CO 0.52 -0.22 -0.76 -0.51 0.00 0.00 0.00 176.54 175.57 2khc s THR 588 N -5.12 -0.24 -0.30 4.70 -4.23 -1.26 -5.08 115.64 104.11 2khc s THR 588 Ca -0.07 -1.78 -0.10 0.00 -1.18 0.00 0.00 61.69 58.57 2khc s THR 588 Cb 0.28 -0.72 0.17 0.00 1.34 0.00 0.00 72.50 73.57 2khc s THR 588 CO 0.84 -0.70 0.86 -0.75 -0.54 0.00 0.00 174.62 174.33 2khc s LYS 589 N 0.60 0.37 -0.08 3.99 2.20 -0.90 -5.15 119.74 120.77 2khc s LYS 589 Ca 0.29 0.78 0.04 0.00 -0.36 0.00 0.00 55.97 56.72 2khc s LYS 589 Cb -0.01 0.45 -0.01 0.00 -1.51 0.00 0.00 37.83 36.75 2khc s LYS 589 CO -0.12 -0.28 -0.21 0.50 -0.36 0.00 0.00 175.35 174.88 2khc s ARG 590 N 2.76 2.76 0.31 4.03 3.52 -1.23 -2.11 118.95 128.99 2khc s ARG 590 Ca 0.04 -0.83 -0.27 0.00 -0.13 0.00 0.00 55.73 54.54 2khc s ARG 590 Cb -0.10 -2.30 -0.10 0.00 -1.56 0.00 0.00 34.95 30.89 2khc s ARG 590 CO -0.17 0.36 0.97 -1.17 -0.81 0.00 0.00 175.30 174.49 2khc s LEU 591 N -0.09 4.41 -0.53 -0.88 2.96 -0.98 -4.83 118.68 118.74 2khc s LEU 591 Ca -0.05 1.94 -0.25 0.00 -0.22 0.00 0.00 54.13 55.55 2khc s LEU 591 Cb -0.14 -3.90 0.04 0.00 0.50 0.00 0.00 46.19 42.68 2khc s LEU 591 CO 0.04 -0.08 0.97 -0.54 -1.32 0.00 0.00 176.35 175.43 2khc s LYS 592 N -1.84 3.40 -0.54 1.98 3.01 -1.25 -4.19 119.74 120.31 2khc s LYS 592 Ca 0.48 -0.10 -0.22 0.00 -1.01 0.00 0.00 55.97 55.13 2khc s LYS 592 Cb -0.22 -4.02 0.05 0.00 -1.01 0.00 0.00 37.83 32.63 2khc s LYS 592 CO 0.28 -1.45 0.81 0.54 0.51 0.00 0.00 175.35 176.03 2khc s VAL 593 N 4.04 4.60 -0.49 3.17 0.11 -1.26 -2.18 120.40 128.38 2khc s VAL 593 Ca 0.34 -0.11 -0.14 0.00 -2.93 0.00 0.00 61.98 59.14 2khc s VAL 593 Cb -0.11 -4.45 0.10 0.00 -1.53 0.00 0.00 36.38 30.39 2khc s VAL 593 CO 0.22 -1.01 0.40 -1.10 -3.33 0.00 0.00 175.10 170.28 2khc s GLN 594 N 3.38 2.85 0.30 1.54 -1.52 -0.92 -4.89 119.66 120.40 2khc s GLN 594 Ca 0.23 -1.55 -0.22 0.00 -1.95 0.00 0.00 55.36 51.87 2khc s GLN 594 Cb -0.16 -4.10 -0.09 0.00 -0.22 0.00 0.00 33.01 28.43 2khc s GLN 594 CO 0.15 -1.15 0.84 -0.48 -0.25 0.00 0.00 175.29 174.41 2khc s LEU 595 N 1.55 4.27 -0.17 2.90 0.05 -1.26 -2.09 118.68 123.93 2khc s LEU 595 Ca 0.04 1.61 -0.06 0.00 0.05 0.00 0.00 54.13 55.77 2khc s LEU 595 Cb -0.26 -3.92 0.08 0.00 -2.05 0.00 0.00 46.19 40.03 2khc s LEU 595 CO 0.04 -0.08 0.36 -1.59 -0.55 0.00 0.00 176.35 174.53 2khc s LYS 596 N -2.24 0.26 0.00 1.48 -2.85 -0.53 -5.00 119.74 110.87 2khc s LYS 596 Ca 0.49 0.91 0.24 0.00 -1.00 0.00 0.00 55.97 56.61 2khc s LYS 596 Cb -0.16 0.17 0.19 0.00 -2.06 0.00 0.00 37.83 35.97 2khc s LYS 596 CO 0.21 -0.25 1.26 0.36 0.10 0.00 0.00 175.35 177.02