#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 5.42 -3.60 0.00 0.00 -1.26 -4.88 120.51 116.19 2khc n ALA 481 Ca 0.00 -2.71 -0.24 0.00 0.00 0.00 0.00 53.44 50.49 2khc n ALA 481 Cb 0.00 -1.43 0.08 0.00 0.00 0.00 0.00 19.45 18.09 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 -1.00 -0.55 3.05 0.00 0.00 -1.26 -4.97 105.19 100.46 2khc n GLY 482 Ca 0.56 0.26 -0.34 0.00 0.00 0.00 0.00 46.02 46.50 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 -7.31 4.94 0.25 0.99 2.96 -1.26 -5.10 118.68 114.15 2khc s LEU 483 Ca 0.59 -2.43 0.04 0.00 -0.22 0.00 0.00 54.13 52.11 2khc s LEU 483 Cb -0.26 -1.74 -0.03 0.00 0.50 0.00 0.00 46.19 44.66 2khc s LEU 483 CO 0.73 -0.40 0.40 -2.16 -1.32 0.00 0.00 176.35 173.59 2khc s PRO 484 N 0.55 3.45 0.13 0.98 0.04 -1.26 -5.12 135.00 133.77 2khc s PRO 484 Ca 0.12 -0.63 0.04 0.00 0.04 0.00 0.00 61.00 60.57 2khc s PRO 484 Cb -0.22 -2.85 -0.04 0.00 0.04 0.00 0.00 34.50 31.44 2khc s PRO 484 CO -0.04 0.38 0.14 -0.65 0.04 0.00 0.00 177.00 176.87 2khc s GLN 485 N -3.95 3.00 0.17 4.56 -0.21 -1.26 -5.12 119.66 116.85 2khc s GLN 485 Ca 0.36 -0.75 0.05 0.00 0.02 0.00 0.00 55.36 55.03 2khc s GLN 485 Cb -0.09 -2.74 -0.04 0.00 1.00 0.00 0.00 33.01 31.14 2khc s GLN 485 CO 0.30 0.52 0.15 0.12 -2.12 0.00 0.00 175.29 174.26 2khc s PHE 486 N -1.63 3.17 0.00 0.91 2.19 -1.26 -4.58 117.98 116.78 2khc s PHE 486 Ca 0.31 -0.01 0.00 0.00 0.33 0.00 0.00 56.93 57.56 2khc s PHE 486 Cb -0.11 -1.52 0.00 0.00 -1.31 0.00 0.00 43.02 40.08 2khc s PHE 486 CO 0.24 0.52 0.00 0.41 1.83 0.00 0.00 175.22 178.22 2khc n GLY 487 N -0.39 1.74 3.28 13.12 0.00 -1.26 -5.06 105.19 116.62 2khc n GLY 487 Ca -0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.39 2.80 -0.16 1.61 1.04 -1.26 -5.13 113.70 112.21 2khc s SER 488 Ca 0.00 -0.50 -0.06 0.00 0.48 0.00 0.00 55.95 55.88 2khc s SER 488 Cb 0.00 -0.27 -0.04 0.00 0.10 0.00 0.00 66.02 65.81 2khc s SER 488 CO 0.00 0.25 0.02 0.00 0.98 0.00 0.00 173.24 174.49 2khc s ALA 489 N -0.69 3.27 -0.21 5.32 0.00 -1.26 -5.00 121.76 123.19 2khc s ALA 489 Ca 0.09 -0.77 -0.08 0.00 0.00 0.00 0.00 51.96 51.21 2khc s ALA 489 Cb -0.09 -1.76 -0.04 0.00 0.00 0.00 0.00 23.12 21.23 2khc s ALA 489 CO 0.01 0.24 0.07 -1.54 0.00 0.00 0.00 175.76 174.54 2khc s SER 490 N 0.23 5.53 0.11 0.00 1.04 -1.26 -5.09 113.70 114.27 2khc s SER 490 Ca 0.02 0.00 -0.25 0.00 0.48 0.00 0.00 55.95 56.20 2khc s SER 490 Cb -0.13 -1.97 -0.07 0.00 0.10 0.00 0.00 66.02 63.96 2khc s SER 490 CO 0.01 0.10 0.76 0.00 0.98 0.00 0.00 173.24 175.10 2khc s ALA 491 N 0.79 3.42 -0.21 5.32 0.00 -1.26 -5.06 121.76 124.76 2khc s ALA 491 Ca 0.04 0.31 -0.01 0.00 0.00 0.00 0.00 51.96 52.29 2khc s ALA 491 Cb -0.13 -2.96 0.01 0.00 0.00 0.00 0.00 23.12 20.04 2khc s ALA 491 CO 0.02 0.20 -0.11 -1.17 0.00 0.00 0.00 175.76 174.70 2khc s LEU 492 N -0.65 2.71 0.13 0.00 0.20 -1.26 -5.10 118.68 114.71 2khc s LEU 492 Ca 0.37 -0.65 -0.30 0.00 0.69 0.00 0.00 54.13 54.24 2khc s LEU 492 Cb -0.22 -1.62 -0.06 0.00 -0.43 0.00 0.00 46.19 43.86 2khc s LEU 492 CO 0.24 -0.05 1.01 -0.44 -0.29 0.00 0.00 176.35 176.83 2khc s SER 493 N 1.36 7.41 -0.00 3.68 0.01 -1.26 -5.03 113.70 119.87 2khc s SER 493 Ca 0.04 1.88 -0.19 0.00 1.31 0.00 0.00 55.95 58.99 2khc s SER 493 Cb -0.15 -2.59 -0.06 0.00 0.21 0.00 0.00 66.02 63.44 2khc s SER 493 CO -0.07 -0.13 0.55 0.42 0.41 0.00 0.00 173.24 174.42 2khc s THR 494 N -0.01 4.92 -0.17 1.44 -4.23 -1.26 -5.07 115.64 111.26 2khc s THR 494 Ca 0.48 1.15 -0.08 0.00 -1.18 0.00 0.00 61.69 62.07 2khc s THR 494 Cb -0.25 -3.88 -0.04 0.00 1.34 0.00 0.00 72.50 69.66 2khc s THR 494 CO 0.31 0.46 0.09 -0.44 -0.54 0.00 0.00 174.62 174.50 2khc s SER 495 N -0.41 5.87 0.12 3.99 0.01 -1.26 -5.02 113.70 117.01 2khc s SER 495 Ca 0.29 0.18 -0.26 0.00 1.31 0.00 0.00 55.95 57.47 2khc s SER 495 Cb -0.18 -1.98 -0.05 0.00 0.21 0.00 0.00 66.02 64.03 2khc s SER 495 CO 0.16 0.22 1.63 -0.65 0.41 0.00 0.00 173.24 175.02 2khc h PRO 496 N 6.34 -0.38 -5.75 12.44 0.11 -2.02 -3.41 132.00 139.33 2khc h PRO 496 Ca -0.42 0.03 -0.66 0.00 0.11 0.00 0.00 66.00 65.06 2khc h PRO 496 Cb 1.17 0.09 -0.07 0.00 0.11 0.00 0.00 31.00 32.29 2khc h PRO 496 CO 0.69 -0.25 -0.50 -0.48 -0.21 0.00 0.00 178.00 177.25 2khc s LEU 497 N -10.37 4.27 -0.09 2.35 2.34 -1.26 -5.01 118.68 110.92 2khc s LEU 497 Ca -0.15 0.38 0.08 0.00 0.06 0.00 0.00 54.13 54.50 2khc s LEU 497 Cb 0.09 -2.21 -0.24 0.00 -0.56 0.00 0.00 46.19 43.27 2khc s LEU 497 CO 0.66 0.36 0.49 0.00 -1.06 0.00 0.00 176.35 176.80 2khc n ALA 498 N 1.65 1.34 -2.42 1.48 0.00 -1.26 -4.97 120.51 116.33 2khc n ALA 498 Ca -0.17 -0.80 -0.27 0.00 0.00 0.00 0.00 53.44 52.21 2khc n ALA 498 Cb 0.54 -0.71 -0.01 0.00 0.00 0.00 0.00 19.45 19.27 2khc n ALA 498 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2khc s SER 499 N -6.28 4.60 -0.09 0.00 0.15 -1.26 -5.14 113.70 105.69 2khc s SER 499 Ca -0.11 -1.26 0.02 0.00 0.70 0.00 0.00 55.95 55.30 2khc s SER 499 Cb 0.07 0.39 -0.02 0.00 -1.71 0.00 0.00 66.02 64.75 2khc s SER 499 CO 0.80 -1.07 -0.15 0.68 1.20 0.00 0.00 173.24 174.70 2khc s VAL 500 N -2.77 2.94 0.56 4.45 -7.23 -1.26 -5.12 120.40 111.97 2khc s VAL 500 Ca 0.32 -0.74 -0.10 0.00 -1.81 0.00 0.00 61.98 59.65 2khc s VAL 500 Cb -0.02 -2.18 -0.05 0.00 0.56 0.00 0.00 36.38 34.70 2khc s VAL 500 CO 0.20 0.56 0.96 0.00 -0.31 0.00 0.00 175.10 176.51 2khc s ALA 501 N -0.20 3.17 0.34 1.32 0.00 -1.26 -5.08 121.76 120.06 2khc s ALA 501 Ca -0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 51.96 51.80 2khc s ALA 501 Cb -0.13 -2.96 -0.04 0.00 0.00 0.00 0.00 23.12 19.99 2khc s ALA 501 CO 0.03 -0.52 0.56 -0.48 0.00 0.00 0.00 175.76 175.35 2khc s LEU 502 N -4.86 4.00 -0.11 0.00 -0.00 -1.26 -5.05 118.68 111.39 2khc s LEU 502 Ca 0.54 0.53 -0.05 0.00 -0.00 0.00 0.00 54.13 55.14 2khc s LEU 502 Cb -0.11 -3.39 -0.02 0.00 -0.00 0.00 0.00 46.19 42.68 2khc s LEU 502 CO 0.48 -0.29 -0.11 0.77 -0.00 0.00 0.00 176.35 177.20 2khc h SER 503 N 0.92 0.00 -2.71 1.48 4.64 -2.08 -3.46 113.55 112.34 2khc h SER 503 Ca -0.49 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.29 2khc h SER 503 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 2khc h SER 503 CO 0.62 0.59 0.99 0.00 -0.87 0.00 0.00 176.83 178.17 2khc s ALA 504 N -2.71 3.64 -0.40 5.18 0.00 -1.26 -4.98 121.76 121.23 2khc s ALA 504 Ca -0.09 1.03 -0.03 0.00 0.00 0.00 0.00 51.96 52.87 2khc s ALA 504 Cb 0.01 -3.69 0.10 0.00 0.00 0.00 0.00 23.12 19.54 2khc s ALA 504 CO 0.13 -1.16 0.18 0.00 0.00 0.00 0.00 175.76 174.91 2khc s ALA 505 N 3.09 3.12 0.46 0.00 0.00 -1.26 -5.09 121.76 122.08 2khc s ALA 505 Ca 0.71 -2.40 -0.24 0.00 0.00 0.00 0.00 51.96 50.02 2khc s ALA 505 Cb -0.35 -2.37 -0.08 0.00 0.00 0.00 0.00 23.12 20.32 2khc s ALA 505 CO 0.30 -1.72 1.33 0.00 0.00 0.00 0.00 175.76 175.67 2khc s ALA 506 N 1.18 3.12 -0.28 0.00 0.00 -1.26 -4.89 121.76 119.63 2khc s ALA 506 Ca 0.06 1.28 -0.28 0.00 0.00 0.00 0.00 51.96 53.02 2khc s ALA 506 Cb -0.22 -3.52 -0.03 0.00 0.00 0.00 0.00 23.12 19.35 2khc s ALA 506 CO -0.03 -1.03 1.96 0.00 0.00 0.00 0.00 175.76 176.66 2khc s ALA 507 N -1.29 2.83 -0.00 0.00 0.00 -1.26 -4.96 121.76 117.07 2khc s ALA 507 Ca 0.62 0.47 0.03 0.00 0.00 0.00 0.00 51.96 53.08 2khc s ALA 507 Cb -0.39 -4.03 -0.01 0.00 0.00 0.00 0.00 23.12 18.69 2khc s ALA 507 CO 0.49 -2.67 -0.09 0.00 0.00 0.00 0.00 175.76 173.49 2khc s ALA 508 N 7.37 0.75 -0.38 0.00 0.00 -1.26 -5.12 121.76 123.11 2khc s ALA 508 Ca 0.88 -0.40 -0.13 0.00 0.00 0.00 0.00 51.96 52.31 2khc s ALA 508 Cb -0.27 -0.18 0.01 0.00 0.00 0.00 0.00 23.12 22.68 2khc s ALA 508 CO 0.34 0.18 0.25 0.00 0.00 0.00 0.00 175.76 176.53 2khc s ALA 509 N -0.25 3.40 0.55 0.00 0.00 -1.26 -5.08 121.76 119.13 2khc s ALA 509 Ca 0.03 -1.63 0.09 0.00 0.00 0.00 0.00 51.96 50.46 2khc s ALA 509 Cb -0.04 -2.71 0.07 0.00 0.00 0.00 0.00 23.12 20.45 2khc s ALA 509 CO -0.00 -1.29 0.76 0.00 0.00 0.00 0.00 175.76 175.22 2khc s ALA 510 N 1.64 4.66 -0.41 0.00 0.00 -1.26 -5.00 121.76 121.38 2khc s ALA 510 Ca 0.04 -2.05 -0.04 0.00 0.00 0.00 0.00 51.96 49.91 2khc s ALA 510 Cb -0.19 -1.50 0.05 0.00 0.00 0.00 0.00 23.12 21.48 2khc s ALA 510 CO 0.09 -0.77 2.79 0.41 0.00 0.00 0.00 175.76 178.27 2khc n GLY 511 N -2.19 4.24 3.05 0.00 0.00 -1.02 -4.91 105.19 104.36 2khc n GLY 511 Ca 0.14 -1.79 -0.16 0.00 0.00 0.00 0.00 46.02 44.21 2khc n GLY 511 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2khc s LYS 512 N -1.53 0.62 0.19 1.61 1.02 -1.22 0.22 119.74 120.65 2khc s LYS 512 Ca 0.58 -0.56 0.00 0.00 0.02 0.00 0.00 55.97 56.01 2khc s LYS 512 Cb 0.37 -0.53 -0.00 0.00 -0.52 0.00 0.00 37.83 37.14 2khc s LYS 512 CO -0.19 0.13 0.02 0.00 -0.92 0.00 0.00 175.35 174.38 2khc n GLN 513 N 2.11 1.29 -1.05 1.68 10.64 0.47 -4.86 117.38 127.66 2khc n GLN 513 Ca -0.18 -1.47 -0.36 0.00 -1.83 0.00 0.00 57.00 53.16 2khc n GLN 513 Cb 0.56 0.51 0.03 0.00 -0.86 0.00 0.00 30.24 30.48 2khc n GLN 513 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.06 174.34 2khc n ILE 514 N -0.47 0.00 -3.09 -0.39 2.08 -1.26 -4.53 119.36 111.70 2khc n ILE 514 Ca -0.07 -0.49 -0.33 0.00 0.56 0.00 0.00 62.75 62.42 2khc n ILE 514 Cb 0.26 0.00 -0.06 0.00 -0.75 0.00 0.00 39.64 39.08 2khc n ILE 514 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 2khc s GLU 515 N -1.75 4.05 0.00 0.38 2.02 -1.26 -4.63 118.70 117.52 2khc s GLU 515 Ca 0.44 0.75 0.00 0.00 0.02 0.00 0.00 54.97 56.17 2khc s GLU 515 Cb -0.25 -2.42 0.00 0.00 0.10 0.00 0.00 34.13 31.56 2khc s GLU 515 CO 0.78 0.14 0.00 0.41 0.02 0.00 0.00 175.26 176.62 2khc n GLY 516 N -0.34 3.71 3.72 -1.39 0.00 -1.26 -5.06 105.19 104.56 2khc n GLY 516 Ca 0.04 -1.50 -0.42 0.00 0.00 0.00 0.00 46.02 44.14 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 -1.70 4.45 0.81 1.61 0.04 -1.26 -4.90 135.00 134.04 2khc s PRO 517 Ca 0.00 1.81 -0.12 0.00 0.04 0.00 0.00 61.00 62.74 2khc s PRO 517 Cb 0.00 -3.31 0.07 0.00 0.04 0.00 0.00 34.50 31.31 2khc s PRO 517 CO 0.00 -0.21 1.11 -1.21 0.04 0.00 0.00 177.00 176.73 2khc s GLU 518 N 0.65 2.02 0.00 4.56 2.02 -1.26 -3.80 118.70 122.89 2khc s GLU 518 Ca 0.57 0.52 0.00 0.00 0.02 0.00 0.00 54.97 56.08 2khc s GLU 518 Cb -0.31 -1.92 0.00 0.00 0.10 0.00 0.00 34.13 32.00 2khc s GLU 518 CO 0.31 -1.64 0.00 0.41 0.02 0.00 0.00 175.26 174.36 2khc n GLY 519 N -2.33 0.67 0.95 -1.39 0.00 -1.26 -4.91 105.19 96.92 2khc n GLY 519 Ca 0.07 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 -3.30 6.40 -0.01 0.00 -0.87 -0.73 -2.13 114.94 114.29 2khc s ASN 521 Ca 0.41 0.51 -0.01 0.00 -1.57 0.00 0.00 52.86 52.20 2khc s ASN 521 Cb 0.38 -2.05 0.01 0.00 -0.02 0.00 0.00 41.25 39.57 2khc s ASN 521 CO -0.04 -0.12 0.03 -0.22 -2.57 0.00 0.00 177.10 174.17 2khc s LEU 522 N -3.52 1.64 -0.24 0.60 1.98 -0.59 -1.39 118.68 117.15 2khc s LEU 522 Ca 0.40 0.05 -0.04 0.00 -2.89 0.00 0.00 54.13 51.66 2khc s LEU 522 Cb -0.11 0.04 0.01 0.00 0.66 0.00 0.00 46.19 46.79 2khc s LEU 522 CO 0.30 -0.05 -0.03 0.12 -1.89 0.00 0.00 176.35 174.81 2khc s PHE 523 N 0.36 3.03 0.05 5.38 2.19 -0.93 -2.07 117.98 126.00 2khc s PHE 523 Ca -0.03 -1.18 0.09 0.00 0.33 0.00 0.00 56.93 56.14 2khc s PHE 523 Cb -0.04 -2.12 -0.03 0.00 -1.31 0.00 0.00 43.02 39.52 2khc s PHE 523 CO -0.01 -0.62 -0.25 0.96 1.83 0.00 0.00 175.22 177.12 2khc s ILE 524 N 1.42 2.05 -0.34 3.12 -4.36 -0.92 -2.00 121.20 120.18 2khc s ILE 524 Ca 0.03 -1.36 0.01 0.00 -0.26 0.00 0.00 60.65 59.07 2khc s ILE 524 Cb -0.16 -1.75 0.14 0.00 1.25 0.00 0.00 42.46 41.94 2khc s ILE 524 CO -0.03 0.33 0.29 -0.72 0.24 0.00 0.00 174.94 175.06 2khc s TYR 525 N -0.81 -0.07 0.00 1.37 1.13 -0.93 -1.44 117.35 116.60 2khc s TYR 525 Ca 0.11 -0.82 0.00 0.00 -1.41 0.00 0.00 57.07 54.95 2khc s TYR 525 Cb -0.10 -0.58 0.00 0.00 -1.10 0.00 0.00 41.96 40.18 2khc s TYR 525 CO 0.02 -0.91 0.00 1.58 -2.51 0.00 0.00 175.55 173.73 2khc n HIS 526 N 4.59 0.00 -2.40 -3.49 -0.00 -0.38 -3.97 115.22 109.57 2khc n HIS 526 Ca 0.06 0.00 -0.40 0.00 0.46 0.00 0.00 57.72 57.84 2khc n HIS 526 Cb 0.43 0.00 -0.04 0.00 -0.12 0.00 0.00 29.99 30.27 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 -3.65 4.48 1.15 0.27 -0.00 0.28 -3.30 118.68 117.91 2khc s LEU 527 Ca 0.00 2.34 -0.18 0.00 -0.00 0.00 0.00 54.13 56.29 2khc s LEU 527 Cb 0.00 -3.69 0.17 0.00 -0.00 0.00 0.00 46.19 42.67 2khc s LEU 527 CO 0.00 -0.27 0.26 -2.65 -0.00 0.00 0.00 176.35 173.69 2khc n PRO 528 N 0.97 -2.20 0.31 1.48 -0.02 -1.26 -0.60 135.00 133.69 2khc n PRO 528 Ca -0.00 -0.63 0.19 0.00 -2.02 0.00 0.00 63.50 61.03 2khc n PRO 528 Cb 0.45 -1.73 1.02 0.00 -0.02 0.00 0.00 33.50 33.22 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 -2.43 0.00 -0.26 -0.52 3.07 -1.91 -2.52 115.11 110.54 2khc h GLN 529 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.26 2khc h GLN 529 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.81 2khc h GLN 529 CO 0.34 0.02 0.00 -0.85 0.09 0.00 0.00 178.83 178.43 2khc n GLU 530 N -3.41 1.69 -3.53 0.06 -0.00 -1.26 -4.87 120.64 109.32 2khc n GLU 530 Ca -0.03 -1.06 -0.37 0.00 -0.00 0.00 0.00 57.16 55.70 2khc n GLU 530 Cb 0.11 -1.29 -0.06 0.00 -0.00 0.00 0.00 31.44 30.20 2khc n GLU 530 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.13 177.25 2khc s PHE 531 N -1.66 3.58 0.06 -1.84 2.19 -0.95 -5.08 117.98 114.28 2khc s PHE 531 Ca 0.24 0.78 0.00 0.00 0.33 0.00 0.00 56.93 58.28 2khc s PHE 531 Cb 0.13 -2.31 -0.04 0.00 -1.31 0.00 0.00 43.02 39.49 2khc s PHE 531 CO 0.18 0.43 0.20 0.99 1.83 0.00 0.00 175.22 178.84 2khc s THR 532 N -0.22 5.33 0.24 0.12 2.01 -1.26 -4.80 115.64 117.06 2khc s THR 532 Ca 0.20 -0.40 0.19 0.00 0.31 0.00 0.00 61.69 62.00 2khc s THR 532 Cb -0.14 -3.59 0.16 0.00 0.01 0.00 0.00 72.50 68.93 2khc s THR 532 CO 0.08 0.15 1.81 -0.78 -0.69 0.00 0.00 174.62 175.19 2khc h ASP 533 N 3.15 0.00 -0.45 3.53 3.58 -1.85 -3.03 116.42 121.35 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 0.75 0.33 0.33 0.00 -2.88 0.00 0.00 179.24 177.76 2khc h THR 534 N 0.00 0.75 -0.21 2.25 1.03 -1.78 -1.72 112.91 113.24 2khc h THR 534 Ca -0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 66.41 66.37 2khc h THR 534 Cb 0.76 0.77 -0.01 0.00 -1.07 0.00 0.00 68.15 68.61 2khc h THR 534 CO 0.04 0.00 0.04 -0.78 -0.01 0.00 0.00 175.52 174.81 2khc h ASP 535 N 0.00 0.33 -0.06 0.00 3.58 -1.91 -1.91 116.42 116.46 2khc h ASP 535 Ca 0.21 -0.25 -0.00 0.00 0.42 0.00 0.00 57.03 57.41 2khc h ASP 535 Cb 0.86 -0.09 -0.00 0.00 1.72 0.00 0.00 39.33 41.82 2khc h ASP 535 CO -0.00 0.50 0.03 -0.07 -2.88 0.00 0.00 179.24 176.81 2khc h LEU 536 N 0.15 0.08 -1.01 2.28 3.38 -1.52 -2.33 115.31 116.34 2khc h LEU 536 Ca 0.06 -0.12 0.07 0.00 0.09 0.00 0.00 57.88 57.99 2khc h LEU 536 Cb 0.30 -0.02 -0.07 0.00 0.09 0.00 0.00 40.66 40.97 2khc h LEU 536 CO 0.00 0.17 0.65 0.00 0.09 0.00 0.00 178.44 179.35 2khc h ALA 537 N 0.91 1.41 -0.24 1.53 0.00 -1.43 -2.32 119.26 119.12 2khc h ALA 537 Ca 0.02 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 2khc h ALA 537 Cb 0.12 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2khc h ALA 537 CO -0.00 0.43 -0.47 1.03 0.00 0.00 0.00 179.25 180.23 2khc h SER 538 N 1.17 0.68 0.41 0.00 0.87 -1.20 -1.01 113.55 114.47 2khc h SER 538 Ca 0.44 -0.33 -0.02 0.00 -1.23 0.00 0.00 61.79 60.65 2khc h SER 538 Cb 0.20 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 61.97 2khc h SER 538 CO -0.18 1.05 -0.20 0.74 -0.53 0.00 0.00 176.83 177.71 2khc h THR 539 N 0.50 0.16 0.00 2.23 2.02 -0.89 -3.28 112.91 113.64 2khc h THR 539 Ca 0.03 -0.62 0.00 0.00 0.77 0.00 0.00 66.41 66.58 2khc h THR 539 Cb 1.01 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 67.67 2khc h THR 539 CO 0.09 0.04 0.00 2.22 0.37 0.00 0.00 175.52 178.24 2khc n PHE 540 N -5.15 0.00 -0.47 3.16 -1.74 -0.97 -4.57 117.46 107.71 2khc n PHE 540 Ca -0.08 0.00 0.39 0.00 -0.56 0.00 0.00 57.45 57.20 2khc n PHE 540 Cb 0.25 -0.25 0.64 0.00 1.52 0.00 0.00 39.48 41.64 2khc n PHE 540 CO 0.00 0.00 0.00 -0.11 -0.56 0.00 0.00 176.76 176.09 2khc n LEU 541 N -1.25 0.14 0.22 5.98 0.00 -0.38 -2.18 117.00 119.53 2khc n LEU 541 Ca 0.15 1.16 0.02 0.00 0.00 0.00 0.00 56.01 57.33 2khc n LEU 541 Cb 0.21 -0.57 0.08 0.00 0.00 0.00 0.00 43.42 43.14 2khc n LEU 541 CO 0.21 -1.24 0.84 -0.65 0.00 0.00 0.00 177.39 176.55 2khc h PRO 542 N 0.00 0.00 0.74 1.96 0.11 -1.85 -2.88 132.00 130.09 2khc h PRO 542 Ca 0.80 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.87 2khc h PRO 542 Cb 2.74 0.00 0.01 0.00 0.11 0.00 0.00 31.00 33.85 2khc h PRO 542 CO -0.32 0.00 -0.36 0.27 -0.21 0.00 0.00 178.00 177.38 2khc h PHE 543 N 0.00 -0.92 -0.07 0.65 -5.15 -1.74 -3.45 116.94 106.25 2khc h PHE 543 Ca 0.00 -0.02 0.00 0.00 -0.20 0.00 0.00 57.97 57.75 2khc h PHE 543 Cb 1.49 0.31 0.00 0.00 0.22 0.00 0.00 35.95 37.97 2khc h PHE 543 CO 0.00 -0.57 0.00 0.41 -2.00 0.00 0.00 178.31 176.15 2khc n GLY 544 N -0.86 5.51 3.65 6.09 0.00 -1.09 -4.10 105.19 114.39 2khc n GLY 544 Ca -0.12 -1.14 -0.37 0.00 0.00 0.00 0.00 46.02 44.39 2khc n GLY 544 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2khc s ASN 545 N 1.00 6.12 -0.24 1.61 4.22 -1.09 -4.87 114.94 121.69 2khc s ASN 545 Ca 0.00 0.12 -0.11 0.00 -2.14 0.00 0.00 52.86 50.73 2khc s ASN 545 Cb 0.00 -2.12 -0.05 0.00 1.28 0.00 0.00 41.25 40.36 2khc s ASN 545 CO 0.00 0.03 0.18 0.68 -2.04 0.00 0.00 177.10 175.95 2khc s VAL 546 N 1.21 5.34 -0.63 3.54 -7.23 -1.26 -2.51 120.40 118.86 2khc s VAL 546 Ca 0.08 0.22 0.03 0.00 -1.81 0.00 0.00 61.98 60.50 2khc s VAL 546 Cb -0.14 -3.52 0.16 0.00 0.56 0.00 0.00 36.38 33.43 2khc s VAL 546 CO 0.06 0.33 0.41 -0.63 -0.31 0.00 0.00 175.10 174.96 2khc s ILE 547 N 1.15 3.00 -0.18 -0.62 1.09 -0.79 0.18 121.20 125.02 2khc s ILE 547 Ca 0.08 -3.65 -0.07 0.00 -1.10 0.00 0.00 60.65 55.91 2khc s ILE 547 Cb -0.14 -3.00 -0.04 0.00 -1.06 0.00 0.00 42.46 38.22 2khc s ILE 547 CO 0.05 -0.91 0.05 -0.94 -0.10 0.00 0.00 174.94 173.10 2khc s SER 548 N -0.55 5.48 0.14 3.58 1.04 0.58 -2.23 113.70 121.74 2khc s SER 548 Ca 0.21 0.03 0.09 0.00 0.48 0.00 0.00 55.95 56.76 2khc s SER 548 Cb -0.16 -1.93 -0.04 0.00 0.10 0.00 0.00 66.02 63.98 2khc s SER 548 CO -0.07 0.16 -0.21 0.00 0.98 0.00 0.00 173.24 174.10 2khc s ALA 549 N 0.44 2.03 0.10 5.32 0.00 -0.73 -2.44 121.76 126.48 2khc s ALA 549 Ca 0.02 -1.40 0.02 0.00 0.00 0.00 0.00 51.96 50.60 2khc s ALA 549 Cb -0.13 -0.25 -0.04 0.00 0.00 0.00 0.00 23.12 22.70 2khc s ALA 549 CO 0.01 0.35 0.17 -1.59 0.00 0.00 0.00 175.76 174.70 2khc s LYS 550 N -2.32 3.19 -0.07 0.00 -2.85 -1.26 -1.75 119.74 114.68 2khc s LYS 550 Ca 0.12 -0.61 0.02 0.00 -1.00 0.00 0.00 55.97 54.51 2khc s LYS 550 Cb -0.08 -2.87 0.01 0.00 -2.06 0.00 0.00 37.83 32.82 2khc s LYS 550 CO 0.06 0.56 -0.13 0.08 0.10 0.00 0.00 175.35 176.02 2khc s VAL 551 N -1.55 1.23 -0.21 1.79 1.01 -0.58 -4.82 120.40 117.26 2khc s VAL 551 Ca 0.33 -0.53 -0.06 0.00 0.00 0.00 0.00 61.98 61.72 2khc s VAL 551 Cb -0.12 -1.11 -0.03 0.00 0.00 0.00 0.00 36.38 35.12 2khc s VAL 551 CO 0.26 0.38 0.03 0.72 0.00 0.00 0.00 175.10 176.48 2khc s PHE 552 N 0.66 3.08 0.70 5.22 -0.12 -1.26 -2.29 117.98 123.97 2khc s PHE 552 Ca -0.14 -0.36 -0.06 0.00 -0.05 0.00 0.00 56.93 56.32 2khc s PHE 552 Cb -0.16 -2.12 0.07 0.00 -0.63 0.00 0.00 43.02 40.18 2khc s PHE 552 CO 0.04 -0.21 1.00 0.42 -0.05 0.00 0.00 175.22 176.42 2khc s ILE 553 N 1.06 2.30 -0.95 -4.49 1.01 -1.26 -4.96 121.20 113.90 2khc s ILE 553 Ca 0.03 -0.33 -0.17 0.00 0.00 0.00 0.00 60.65 60.17 2khc s ILE 553 Cb -0.14 -2.97 0.15 0.00 0.01 0.00 0.00 42.46 39.51 2khc s ILE 553 CO 0.02 0.00 1.11 -1.81 0.00 0.00 0.00 174.94 174.27 2khc s ASP 554 N -4.54 6.71 0.00 3.58 1.01 -1.26 -4.74 116.67 117.43 2khc s ASP 554 Ca 0.61 -2.27 0.24 0.00 0.71 0.00 0.00 52.55 51.84 2khc s ASP 554 Cb -0.10 -2.37 0.32 0.00 1.01 0.00 0.00 42.92 41.78 2khc s ASP 554 CO 0.44 -0.95 1.34 2.29 0.21 0.00 0.00 175.17 178.51 2khc n LYS 555 N 6.02 2.44 -0.02 8.23 0.00 -1.25 -3.74 118.16 129.85 2khc n LYS 555 Ca 0.24 -2.14 -0.04 0.00 -0.00 0.00 0.00 58.31 56.37 2khc n LYS 555 Cb 0.48 -1.49 -0.03 0.00 -0.00 0.00 0.00 35.03 33.99 2khc n LYS 555 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 2khc h GLN 556 N 4.61 -0.13 0.00 -1.58 4.20 -1.85 -3.35 115.11 117.02 2khc h GLN 556 Ca 0.00 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.72 2khc h GLN 556 Cb 1.00 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.81 2khc h GLN 556 CO 0.00 -0.08 0.00 -2.37 -0.67 0.00 0.00 178.83 175.71 2khc n THR 557 N -3.41 0.35 -0.05 -0.54 5.66 -1.26 -4.89 114.28 110.15 2khc n THR 557 Ca -0.01 -0.46 -0.04 0.00 -3.05 0.00 0.00 64.05 60.49 2khc n THR 557 Cb 0.10 0.99 -0.01 0.00 -1.55 0.00 0.00 70.33 69.85 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 -0.18 1.11 -3.66 1.09 2.88 -1.26 -5.03 113.62 108.58 2khc n SER 558 Ca 0.00 0.36 -0.07 0.00 -1.33 0.00 0.00 58.87 57.83 2khc n SER 558 Cb 0.26 -0.69 -0.08 0.00 -0.75 0.00 0.00 64.21 62.95 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 -6.73 -0.70 -1.00 2.46 2.34 -1.24 -5.03 118.68 108.77 2khc s LEU 559 Ca -0.12 1.21 -0.23 0.00 0.06 0.00 0.00 54.13 55.04 2khc s LEU 559 Cb 0.02 1.77 -0.01 0.00 -0.56 0.00 0.00 46.19 47.40 2khc s LEU 559 CO 0.18 -0.22 1.77 -0.55 -1.06 0.00 0.00 176.35 176.47 2khc s SER 560 N 2.25 5.68 0.13 1.48 0.15 -1.26 -3.78 113.70 118.36 2khc s SER 560 Ca -0.06 -1.16 -0.09 0.00 0.70 0.00 0.00 55.95 55.33 2khc s SER 560 Cb -0.10 -2.57 -0.00 0.00 -1.71 0.00 0.00 66.02 61.64 2khc s SER 560 CO -0.16 -2.28 0.25 -1.59 1.20 0.00 0.00 173.24 170.67 2khc s LYS 561 N 6.10 1.03 0.15 5.44 -2.85 -1.26 -4.90 119.74 123.46 2khc s LYS 561 Ca 0.61 -1.06 -0.24 0.00 -1.00 0.00 0.00 55.97 54.28 2khc s LYS 561 Cb -0.03 0.37 0.06 0.00 -2.06 0.00 0.00 37.83 36.17 2khc s LYS 561 CO -0.01 -0.36 0.73 0.00 0.10 0.00 0.00 175.35 175.80 2khc s PHE 563 N -3.61 0.96 0.27 0.00 -0.12 -0.97 0.10 117.98 114.61 2khc s PHE 563 Ca 0.06 -1.04 0.12 0.00 -0.05 0.00 0.00 56.93 56.01 2khc s PHE 563 Cb -0.02 -0.56 -0.05 0.00 -0.63 0.00 0.00 43.02 41.76 2khc s PHE 563 CO -0.05 -0.28 -0.20 0.20 -0.05 0.00 0.00 175.22 174.83 2khc s GLY 564 N -3.08 1.85 -0.25 1.99 0.00 -0.52 -1.53 107.32 105.78 2khc s GLY 564 Ca 0.18 -1.84 -0.02 0.00 0.00 0.00 0.00 44.72 43.05 2khc s GLY 564 CO -0.01 -1.92 -0.06 -1.36 0.00 0.00 0.00 173.10 169.75 2khc s PHE 565 N -2.40 3.07 -0.22 1.90 0.08 -0.72 -2.16 117.98 117.53 2khc s PHE 565 Ca 0.29 -1.55 0.02 0.00 0.12 0.00 0.00 56.93 55.80 2khc s PHE 565 Cb -0.05 -2.06 0.05 0.00 -0.57 0.00 0.00 43.02 40.38 2khc s PHE 565 CO 0.14 -0.73 -0.11 0.08 -0.10 0.00 0.00 175.22 174.50 2khc s VAL 566 N 1.33 1.88 -0.38 -0.44 1.01 -0.88 -1.77 120.40 121.15 2khc s VAL 566 Ca 0.00 -1.26 -0.13 0.00 0.00 0.00 0.00 61.98 60.59 2khc s VAL 566 Cb -0.17 -1.95 0.01 0.00 0.00 0.00 0.00 36.38 34.27 2khc s VAL 566 CO -0.04 0.11 0.25 -0.55 0.00 0.00 0.00 175.10 174.87 2khc s SER 567 N 1.27 5.97 -0.15 3.32 0.15 -0.95 -1.54 113.70 121.77 2khc s SER 567 Ca -0.04 -0.77 -0.04 0.00 0.70 0.00 0.00 55.95 55.80 2khc s SER 567 Cb -0.18 -2.11 -0.03 0.00 -1.71 0.00 0.00 66.02 61.99 2khc s SER 567 CO -0.07 -0.36 -0.02 -0.36 1.20 0.00 0.00 173.24 173.63 2khc s PHE 568 N 1.66 3.08 -0.50 3.44 0.08 -0.91 -1.89 117.98 122.94 2khc s PHE 568 Ca 0.05 -0.15 0.03 0.00 0.12 0.00 0.00 56.93 56.98 2khc s PHE 568 Cb -0.18 -1.94 0.13 0.00 -0.57 0.00 0.00 43.02 40.45 2khc s PHE 568 CO 0.09 0.08 0.25 -0.51 -0.10 0.00 0.00 175.22 175.04 2khc s ASP 569 N 0.14 4.10 0.17 1.36 1.01 -1.04 -2.12 116.67 120.29 2khc s ASP 569 Ca 0.00 -2.90 -0.06 0.00 0.71 0.00 0.00 52.55 50.30 2khc s ASP 569 Cb -0.13 -1.45 0.02 0.00 1.01 0.00 0.00 42.92 42.37 2khc s ASP 569 CO 0.02 -0.24 0.33 -3.20 0.21 0.00 0.00 175.17 172.29 2khc n ASN 570 N 3.24 -0.95 -3.63 0.27 5.15 -1.25 -2.67 115.26 115.41 2khc n ASN 570 Ca 0.06 -1.68 -0.30 0.00 -0.60 0.00 0.00 54.58 52.06 2khc n ASN 570 Cb 0.33 1.60 0.28 0.00 -0.53 0.00 0.00 39.78 41.45 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 -2.48 0.62 1.20 0.02 -1.26 -4.73 135.00 126.31 2khc s PRO 571 Ca 0.07 0.20 0.28 0.00 0.02 0.00 0.00 61.00 61.57 2khc s PRO 571 Cb -0.02 -1.42 1.44 0.00 0.02 0.00 0.00 34.50 34.51 2khc s PRO 571 CO 0.05 -4.60 1.84 -0.44 -0.33 0.00 0.00 177.00 173.52 2khc h ASP 572 N -3.22 0.00 -0.97 2.53 5.19 -1.97 0.08 116.42 118.06 2khc h ASP 572 Ca -0.46 0.00 0.21 0.00 -0.62 0.00 0.00 57.03 56.15 2khc h ASP 572 Cb 1.33 0.00 -0.09 0.00 0.18 0.00 0.00 39.33 40.76 2khc h ASP 572 CO 0.32 0.00 0.62 0.28 -3.12 0.00 0.00 179.24 177.34 2khc h SER 573 N 0.00 0.56 -0.84 6.45 0.02 -1.89 0.82 113.55 118.68 2khc h SER 573 Ca 0.14 0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 61.16 2khc h SER 573 Cb 1.11 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 63.58 2khc h SER 573 CO -0.00 0.20 0.52 0.00 -1.14 0.00 0.00 176.83 176.41 2khc h ALA 574 N 1.62 1.07 0.02 3.77 0.00 -1.12 -2.21 119.26 122.41 2khc h ALA 574 Ca 0.53 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.39 2khc h ALA 574 Cb 1.11 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 2khc h ALA 574 CO -0.27 0.51 -0.27 1.96 0.00 0.00 0.00 179.25 181.19 2khc h GLN 575 N 1.15 -0.41 -0.83 0.00 7.50 0.53 -1.98 115.11 121.07 2khc h GLN 575 Ca 0.30 0.03 0.09 0.00 0.50 0.00 0.00 58.65 59.57 2khc h GLN 575 Cb -0.07 0.09 -0.07 0.00 0.05 0.00 0.00 27.48 27.48 2khc h GLN 575 CO -0.06 -0.27 0.48 0.28 -1.50 0.00 0.00 178.83 177.76 2khc h VAL 576 N -0.42 0.91 -0.81 -0.54 2.07 -1.14 -1.75 116.25 114.57 2khc h VAL 576 Ca 0.06 -0.27 0.09 0.00 0.82 0.00 0.00 66.70 67.39 2khc h VAL 576 Cb 0.49 0.04 -0.07 0.00 -1.52 0.00 0.00 31.29 30.24 2khc h VAL 576 CO -0.22 0.15 0.46 0.00 0.02 0.00 0.00 177.57 177.98 2khc h ALA 577 N 1.45 1.15 0.06 1.67 0.00 -0.76 -2.16 119.26 120.67 2khc h ALA 577 Ca 0.40 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.34 2khc h ALA 577 Cb 0.36 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2khc h ALA 577 CO -0.24 0.10 -0.03 0.82 0.00 0.00 0.00 179.25 179.90 2khc h ILE 578 N 0.79 1.25 -0.03 0.00 2.04 -0.74 -3.18 117.51 117.64 2khc h ILE 578 Ca 0.39 -1.52 -0.05 0.00 1.00 0.00 0.00 64.86 64.68 2khc h ILE 578 Cb 0.34 2.18 -0.01 0.00 -0.74 0.00 0.00 36.82 38.60 2khc h ILE 578 CO -0.24 0.35 -0.20 0.11 0.00 0.00 0.00 178.15 178.17 2khc h LYS 579 N -0.81 0.05 0.00 2.37 6.56 -1.42 -2.34 116.57 120.98 2khc h LYS 579 Ca -0.01 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.57 2khc h LYS 579 Cb 0.64 -0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.29 2khc h LYS 579 CO 0.01 0.25 0.00 0.00 -2.06 0.00 0.00 179.45 177.66 2khc h ALA 580 N 1.75 1.00 -3.32 3.86 0.00 -1.50 -3.44 119.26 117.61 2khc h ALA 580 Ca 0.01 0.00 -0.46 0.00 0.00 0.00 0.00 54.91 54.46 2khc h ALA 580 Cb 0.39 0.00 -0.36 0.00 0.00 0.00 0.00 17.79 17.82 2khc h ALA 580 CO 0.03 0.00 -0.78 1.41 0.00 0.00 0.00 179.25 179.90 2khc s MET 581 N -3.41 1.02 0.89 0.00 -2.45 -0.88 -5.09 119.30 109.38 2khc s MET 581 Ca 0.04 -0.11 -0.11 0.00 -1.25 0.00 0.00 55.69 54.27 2khc s MET 581 Cb 0.08 -1.12 0.13 0.00 1.25 0.00 0.00 34.83 35.16 2khc s MET 581 CO 0.59 -0.18 1.11 -0.80 1.05 0.00 0.00 175.02 176.78 2khc s ASN 582 N 1.41 3.27 0.00 1.11 -0.87 -1.26 -4.83 114.94 113.77 2khc s ASN 582 Ca -0.03 1.91 0.00 0.00 -1.57 0.00 0.00 52.86 53.17 2khc s ASN 582 Cb -0.13 -2.47 0.00 0.00 -0.02 0.00 0.00 41.25 38.63 2khc s ASN 582 CO -0.03 -2.83 0.45 0.61 -2.57 0.00 0.00 177.10 172.72 2khc n GLY 583 N -0.36 -1.24 2.83 0.66 0.00 -1.25 -4.96 105.19 100.87 2khc n GLY 583 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.10 1.61 -0.42 1.61 5.36 -1.26 -4.80 117.98 119.99 2khc s PHE 584 Ca 0.00 -1.21 -0.14 0.00 -0.96 0.00 0.00 56.93 54.62 2khc s PHE 584 Cb 0.00 -1.26 0.04 0.00 -0.34 0.00 0.00 43.02 41.45 2khc s PHE 584 CO 0.00 -0.67 0.30 -0.65 -1.46 0.00 0.00 175.22 172.74 2khc s GLN 585 N 1.66 2.92 0.15 10.12 -0.21 -1.25 -2.40 119.66 130.64 2khc s GLN 585 Ca -0.02 -1.13 0.07 0.00 0.02 0.00 0.00 55.36 54.30 2khc s GLN 585 Cb -0.17 -3.95 -0.04 0.00 1.00 0.00 0.00 33.01 29.85 2khc s GLN 585 CO -0.07 -0.81 -0.16 0.08 -2.12 0.00 0.00 175.29 172.21 2khc s VAL 586 N 1.63 1.56 0.49 1.09 1.01 -0.91 -4.97 120.40 120.31 2khc s VAL 586 Ca 0.04 -1.84 0.36 0.00 0.00 0.00 0.00 61.98 60.54 2khc s VAL 586 Cb -0.20 -1.71 0.56 0.00 0.00 0.00 0.00 36.38 35.03 2khc s VAL 586 CO 0.08 -0.39 1.65 1.23 0.00 0.00 0.00 175.10 177.68 2khc h GLY 587 N 3.33 0.72 -5.90 4.51 0.00 -2.07 -2.46 103.07 101.19 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 -0.20 -0.77 -0.51 0.00 0.00 0.00 176.54 175.58 2khc s THR 588 N -5.14 -0.23 -0.30 4.70 -4.23 -1.26 -5.07 115.64 104.12 2khc s THR 588 Ca -0.07 -1.82 -0.08 0.00 -1.18 0.00 0.00 61.69 58.55 2khc s THR 588 Cb 0.27 -0.73 0.18 0.00 1.34 0.00 0.00 72.50 73.56 2khc s THR 588 CO 0.84 -0.71 0.80 -0.54 -0.54 0.00 0.00 174.62 174.47 2khc s LYS 589 N 0.56 0.41 -0.14 3.99 -0.14 -0.93 -5.14 119.74 118.35 2khc s LYS 589 Ca 0.29 0.78 0.02 0.00 -1.36 0.00 0.00 55.97 55.70 2khc s LYS 589 Cb -0.01 0.44 0.00 0.00 -1.68 0.00 0.00 37.83 36.59 2khc s LYS 589 CO -0.12 -0.38 -0.19 0.50 -0.76 0.00 0.00 175.35 174.40 2khc s ARG 590 N 2.85 3.12 0.25 1.68 3.52 -1.23 -2.14 118.95 127.01 2khc s ARG 590 Ca 0.08 -0.81 -0.29 0.00 -0.13 0.00 0.00 55.73 54.58 2khc s ARG 590 Cb -0.12 -2.50 -0.09 0.00 -1.56 0.00 0.00 34.95 30.68 2khc s ARG 590 CO -0.17 0.04 0.96 -1.17 -0.81 0.00 0.00 175.30 174.16 2khc s LEU 591 N 0.71 4.60 -0.53 -0.88 2.96 -1.01 -4.82 118.68 119.72 2khc s LEU 591 Ca -0.09 1.98 -0.24 0.00 -0.22 0.00 0.00 54.13 55.56 2khc s LEU 591 Cb -0.16 -3.66 0.04 0.00 0.50 0.00 0.00 46.19 42.91 2khc s LEU 591 CO 0.01 0.09 0.92 -0.54 -1.32 0.00 0.00 176.35 175.51 2khc s LYS 592 N -1.31 3.37 -0.54 1.98 3.01 -1.26 -3.89 119.74 121.11 2khc s LYS 592 Ca 0.42 -0.18 -0.21 0.00 -1.01 0.00 0.00 55.97 54.99 2khc s LYS 592 Cb -0.26 -4.02 0.06 0.00 -1.01 0.00 0.00 37.83 32.59 2khc s LYS 592 CO 0.32 -1.40 0.76 0.54 0.51 0.00 0.00 175.35 176.08 2khc s VAL 593 N 3.83 4.67 -0.35 3.17 0.11 -1.26 -2.19 120.40 128.39 2khc s VAL 593 Ca 0.31 -0.26 -0.14 0.00 -2.93 0.00 0.00 61.98 58.96 2khc s VAL 593 Cb -0.12 -4.42 -0.01 0.00 -1.53 0.00 0.00 36.38 30.30 2khc s VAL 593 CO 0.21 -0.97 0.29 0.00 -3.33 0.00 0.00 175.10 171.29 2khc s GLN 594 N 3.16 3.48 0.29 1.54 -2.07 -0.85 -4.92 119.66 120.29 2khc s GLN 594 Ca 0.20 -0.60 -0.26 0.00 -1.82 0.00 0.00 55.36 52.88 2khc s GLN 594 Cb -0.17 -3.82 -0.09 0.00 -1.09 0.00 0.00 33.01 27.83 2khc s GLN 594 CO 0.14 -0.50 0.92 -1.17 -1.32 0.00 0.00 175.29 173.36 2khc s LEU 595 N 1.82 4.42 -0.29 2.60 2.96 -1.26 -2.18 118.68 126.75 2khc s LEU 595 Ca 0.08 1.82 -0.04 0.00 -0.22 0.00 0.00 54.13 55.77 2khc s LEU 595 Cb -0.17 -3.85 0.10 0.00 0.50 0.00 0.00 46.19 42.77 2khc s LEU 595 CO 0.11 0.01 0.15 -0.75 -1.32 0.00 0.00 176.35 174.55 2khc s LYS 596 N -1.81 0.21 0.00 1.98 2.47 -0.49 -4.98 119.74 117.12 2khc s LYS 596 Ca 0.47 -0.46 0.00 0.00 -1.56 0.00 0.00 55.97 54.42 2khc s LYS 596 Cb -0.20 -1.11 0.00 0.00 -1.46 0.00 0.00 37.83 35.06 2khc s LYS 596 CO 0.25 -1.01 0.00 0.36 0.16 0.00 0.00 175.35 175.12