#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 1.81 0.00 0.00 0.00 -1.26 -5.04 120.51 116.02 2khc n ALA 481 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2khc n ALA 481 Cb 0.00 0.19 0.00 0.00 0.00 0.00 0.00 19.45 19.64 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 2.53 1.94 3.09 0.00 0.00 -1.26 -5.15 105.19 106.35 2khc n GLY 482 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 2.06 -0.18 0.99 1.43 -1.26 -5.14 118.68 116.59 2khc s LEU 483 Ca 0.00 -0.28 -0.11 0.00 -1.03 0.00 0.00 54.13 52.70 2khc s LEU 483 Cb 0.00 -0.62 -0.05 0.00 0.03 0.00 0.00 46.19 45.55 2khc s LEU 483 CO 0.00 0.12 0.20 -2.16 0.23 0.00 0.00 176.35 174.74 2khc s PRO 484 N -0.51 4.16 0.47 1.29 0.04 -1.26 -5.02 135.00 134.16 2khc s PRO 484 Ca 0.04 -0.08 0.08 0.00 0.04 0.00 0.00 61.00 61.08 2khc s PRO 484 Cb -0.06 -3.40 0.01 0.00 0.04 0.00 0.00 34.50 31.09 2khc s PRO 484 CO -0.00 0.31 0.49 -0.65 0.04 0.00 0.00 177.00 177.19 2khc s GLN 485 N 0.29 2.50 -0.23 4.56 -1.52 -1.26 -5.11 119.66 118.89 2khc s GLN 485 Ca 0.12 -1.59 -0.07 0.00 -1.95 0.00 0.00 55.36 51.88 2khc s GLN 485 Cb -0.12 -2.44 -0.03 0.00 -0.22 0.00 0.00 33.01 30.20 2khc s GLN 485 CO 0.01 -0.39 0.05 -0.06 -0.25 0.00 0.00 175.29 174.65 2khc s PHE 486 N -2.54 3.10 0.00 0.91 0.08 -1.26 -4.44 117.98 113.84 2khc s PHE 486 Ca 0.49 -0.33 0.00 0.00 0.12 0.00 0.00 56.93 57.21 2khc s PHE 486 Cb -0.05 -2.18 0.00 0.00 -0.57 0.00 0.00 43.02 40.23 2khc s PHE 486 CO 0.29 -0.23 0.00 0.41 -0.10 0.00 0.00 175.22 175.59 2khc n GLY 487 N 4.52 0.75 3.59 4.36 0.00 -1.26 -5.07 105.19 112.08 2khc n GLY 487 Ca -0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.04 6.14 -0.09 1.61 0.15 -1.26 -4.99 113.70 114.22 2khc s SER 488 Ca 0.00 0.60 -0.01 0.00 0.70 0.00 0.00 55.95 57.24 2khc s SER 488 Cb 0.00 -2.54 -0.03 0.00 -1.71 0.00 0.00 66.02 61.74 2khc s SER 488 CO 0.00 -1.64 -0.04 0.00 1.20 0.00 0.00 173.24 172.77 2khc s ALA 489 N 6.06 3.10 -0.53 5.45 0.00 -1.26 -5.02 121.76 129.56 2khc s ALA 489 Ca 0.59 -0.85 -0.26 0.00 0.00 0.00 0.00 51.96 51.45 2khc s ALA 489 Cb -0.13 -1.38 0.03 0.00 0.00 0.00 0.00 23.12 21.65 2khc s ALA 489 CO 0.29 0.52 1.01 -1.54 0.00 0.00 0.00 175.76 176.03 2khc s SER 490 N -0.64 6.43 0.24 0.00 1.04 -1.26 -5.02 113.70 114.49 2khc s SER 490 Ca 0.10 -0.06 -0.30 0.00 0.48 0.00 0.00 55.95 56.17 2khc s SER 490 Cb -0.12 -2.48 -0.09 0.00 0.10 0.00 0.00 66.02 63.44 2khc s SER 490 CO 0.02 -1.24 0.97 0.00 0.98 0.00 0.00 173.24 173.97 2khc s ALA 491 N 4.17 3.35 -0.21 5.32 0.00 -1.26 -5.04 121.76 128.08 2khc s ALA 491 Ca 0.36 0.67 -0.05 0.00 0.00 0.00 0.00 51.96 52.95 2khc s ALA 491 Cb -0.10 -3.24 -0.02 0.00 0.00 0.00 0.00 23.12 19.76 2khc s ALA 491 CO 0.23 0.12 -0.00 -0.51 0.00 0.00 0.00 175.76 175.60 2khc s LEU 492 N -1.14 3.17 -0.22 0.00 1.02 -1.26 -5.09 118.68 115.16 2khc s LEU 492 Ca 0.42 -0.26 -0.18 0.00 0.02 0.00 0.00 54.13 54.13 2khc s LEU 492 Cb -0.27 -1.81 -0.03 0.00 0.02 0.00 0.00 46.19 44.10 2khc s LEU 492 CO 0.34 0.02 0.51 -0.94 0.02 0.00 0.00 176.35 176.30 2khc s SER 493 N 1.25 6.51 1.05 2.29 1.04 -1.26 -5.06 113.70 119.52 2khc s SER 493 Ca 0.03 0.61 -0.13 0.00 0.48 0.00 0.00 55.95 56.95 2khc s SER 493 Cb -0.15 -2.29 0.17 0.00 0.10 0.00 0.00 66.02 63.86 2khc s SER 493 CO 0.01 -0.22 0.81 1.07 0.98 0.00 0.00 173.24 175.89 2khc n THR 494 N 4.77 0.00 -4.25 2.02 5.66 -1.26 -5.05 114.28 116.17 2khc n THR 494 Ca -0.05 -0.24 -0.19 0.00 -3.05 0.00 0.00 64.05 60.53 2khc n THR 494 Cb 0.50 -0.88 -0.13 0.00 -1.55 0.00 0.00 70.33 68.28 2khc n THR 494 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 2khc s SER 495 N -2.33 1.66 0.63 1.09 0.15 -1.26 -5.02 113.70 108.61 2khc s SER 495 Ca 0.64 -0.54 0.33 0.00 0.70 0.00 0.00 55.95 57.08 2khc s SER 495 Cb -0.22 -0.07 1.85 0.00 -1.71 0.00 0.00 66.02 65.87 2khc s SER 495 CO 0.63 -0.03 2.13 1.55 1.20 0.00 0.00 173.24 178.72 2khc h PRO 496 N 4.58 0.00 -1.01 5.44 0.13 -2.08 -0.14 132.00 138.92 2khc h PRO 496 Ca -0.40 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.25 2khc h PRO 496 Cb 1.19 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.04 2khc h PRO 496 CO 0.42 0.00 0.62 -0.11 -0.23 0.00 0.00 178.00 178.70 2khc n LEU 497 N -3.40 6.52 -4.55 1.56 7.94 -1.26 -4.92 117.00 118.88 2khc n LEU 497 Ca -0.00 -3.49 -0.37 0.00 -1.11 0.00 0.00 56.01 51.04 2khc n LEU 497 Cb 0.27 -0.83 -0.03 0.00 0.53 0.00 0.00 43.42 43.36 2khc n LEU 497 CO 0.22 1.04 1.47 0.00 -1.11 0.00 0.00 177.39 179.01 2khc s ALA 498 N -3.05 2.24 -0.40 1.96 0.00 -0.07 -4.85 121.76 117.58 2khc s ALA 498 Ca 0.53 -1.04 0.06 0.00 0.00 0.00 0.00 51.96 51.51 2khc s ALA 498 Cb 0.44 -4.35 0.21 0.00 0.00 0.00 0.00 23.12 19.42 2khc s ALA 498 CO 0.09 -3.91 0.44 -1.13 0.00 0.00 0.00 175.76 171.25 2khc n SER 499 N 12.03 -0.09 -3.98 0.00 3.41 -1.26 -5.06 113.62 118.67 2khc n SER 499 Ca 0.21 -2.55 -0.20 0.00 -0.26 0.00 0.00 58.87 56.06 2khc n SER 499 Cb 0.51 -0.60 -0.16 0.00 -0.26 0.00 0.00 64.21 63.70 2khc n SER 499 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2khc s VAL 500 N -0.63 0.74 0.51 -3.33 -7.23 -1.26 -5.13 120.40 104.07 2khc s VAL 500 Ca 0.34 -0.32 -0.22 0.00 -1.81 0.00 0.00 61.98 59.98 2khc s VAL 500 Cb 0.11 -0.68 -0.06 0.00 0.56 0.00 0.00 36.38 36.31 2khc s VAL 500 CO -0.15 0.24 1.24 0.00 -0.31 0.00 0.00 175.10 176.12 2khc s ALA 501 N 0.34 2.84 -0.77 1.32 0.00 -1.26 -4.94 121.76 119.30 2khc s ALA 501 Ca -0.05 1.09 -0.25 0.00 0.00 0.00 0.00 51.96 52.75 2khc s ALA 501 Cb -0.10 -3.46 0.05 0.00 0.00 0.00 0.00 23.12 19.61 2khc s ALA 501 CO 0.01 -1.00 1.21 -0.51 0.00 0.00 0.00 175.76 175.46 2khc s LEU 502 N -3.39 3.67 0.09 0.00 2.01 -1.26 -4.99 118.68 114.81 2khc s LEU 502 Ca 0.69 -0.85 0.09 0.00 0.01 0.00 0.00 54.13 54.07 2khc s LEU 502 Cb -0.33 -2.51 -0.03 0.00 0.01 0.00 0.00 46.19 43.33 2khc s LEU 502 CO 0.39 -1.63 -0.22 -0.94 1.01 0.00 0.00 176.35 174.95 2khc s SER 503 N 3.90 2.72 -0.11 2.29 1.04 -1.26 -5.13 113.70 117.14 2khc s SER 503 Ca 0.33 -0.64 -0.13 0.00 0.48 0.00 0.00 55.95 55.99 2khc s SER 503 Cb -0.09 -0.18 -0.05 0.00 0.10 0.00 0.00 66.02 65.80 2khc s SER 503 CO 0.08 0.13 0.29 0.00 0.98 0.00 0.00 173.24 174.72 2khc s ALA 504 N -1.01 3.68 -0.05 5.32 0.00 -1.26 -5.09 121.76 123.35 2khc s ALA 504 Ca 0.09 -0.44 -0.03 0.00 0.00 0.00 0.00 51.96 51.57 2khc s ALA 504 Cb -0.10 -2.30 -0.04 0.00 0.00 0.00 0.00 23.12 20.69 2khc s ALA 504 CO 0.04 0.30 0.12 0.00 0.00 0.00 0.00 175.76 176.21 2khc s ALA 505 N -0.22 3.74 -0.41 0.00 0.00 -1.26 -5.08 121.76 118.52 2khc s ALA 505 Ca 0.18 -0.76 -0.08 0.00 0.00 0.00 0.00 51.96 51.30 2khc s ALA 505 Cb -0.14 -1.77 0.08 0.00 0.00 0.00 0.00 23.12 21.29 2khc s ALA 505 CO 0.06 0.67 0.24 0.00 0.00 0.00 0.00 175.76 176.73 2khc s ALA 506 N -1.13 3.24 0.21 0.00 0.00 -1.26 -5.08 121.76 117.74 2khc s ALA 506 Ca 0.20 -2.20 -0.13 0.00 0.00 0.00 0.00 51.96 49.84 2khc s ALA 506 Cb -0.12 -2.58 -0.07 0.00 0.00 0.00 0.00 23.12 20.35 2khc s ALA 506 CO 0.10 -1.66 0.58 0.00 0.00 0.00 0.00 175.76 174.78 2khc s ALA 507 N 1.37 3.54 0.04 0.00 0.00 -1.26 -5.04 121.76 120.40 2khc s ALA 507 Ca 0.03 -0.16 -0.30 0.00 0.00 0.00 0.00 51.96 51.53 2khc s ALA 507 Cb -0.23 -2.52 -0.05 0.00 0.00 0.00 0.00 23.12 20.31 2khc s ALA 507 CO 0.01 0.46 1.24 0.00 0.00 0.00 0.00 175.76 177.47 2khc s ALA 508 N -1.68 3.45 -0.02 0.00 0.00 -1.26 -5.03 121.76 117.21 2khc s ALA 508 Ca 0.44 0.85 0.04 0.00 0.00 0.00 0.00 51.96 53.29 2khc s ALA 508 Cb -0.13 -3.48 -0.00 0.00 0.00 0.00 0.00 23.12 19.50 2khc s ALA 508 CO 0.20 -0.56 -0.14 0.00 0.00 0.00 0.00 175.76 175.26 2khc s ALA 509 N 1.40 1.21 -0.27 0.00 0.00 -1.26 -5.13 121.76 117.72 2khc s ALA 509 Ca 0.59 -0.56 -0.12 0.00 0.00 0.00 0.00 51.96 51.87 2khc s ALA 509 Cb -0.30 -0.37 -0.05 0.00 0.00 0.00 0.00 23.12 22.41 2khc s ALA 509 CO 0.28 0.25 0.24 0.00 0.00 0.00 0.00 175.76 176.52 2khc s ALA 510 N -0.08 3.55 0.44 0.00 0.00 -0.96 -4.82 121.76 119.90 2khc s ALA 510 Ca 0.00 -0.96 0.32 0.00 0.00 0.00 0.00 51.96 51.32 2khc s ALA 510 Cb -0.08 -2.51 1.49 0.00 0.00 0.00 0.00 23.12 22.01 2khc s ALA 510 CO 0.01 -0.49 1.57 0.41 0.00 0.00 0.00 175.76 177.25 2khc n GLY 511 N 4.77 -0.84 0.00 0.00 0.00 4.97 -4.65 105.19 109.44 2khc n GLY 511 Ca -0.13 0.76 0.00 0.00 0.00 0.00 0.00 46.02 46.66 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 -4.76 1.68 -0.39 1.61 4.76 -1.25 -4.70 118.16 115.11 2khc n LYS 512 Ca 0.40 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.73 2khc n LYS 512 Cb 1.55 0.00 0.11 0.00 -1.84 0.00 0.00 35.03 34.86 2khc n LYS 512 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2khc n GLN 513 N 0.00 -1.01 -1.89 1.97 10.64 0.33 -4.33 117.38 123.08 2khc n GLN 513 Ca 0.00 -0.55 -0.30 0.00 -1.83 0.00 0.00 57.00 54.32 2khc n GLN 513 Cb 0.00 -1.13 0.03 0.00 -0.86 0.00 0.00 30.24 28.28 2khc n GLN 513 CO 0.00 0.00 0.00 -1.50 -1.83 0.00 0.00 177.06 173.73 2khc s ILE 514 N -1.71 3.90 0.52 -0.39 1.10 -1.26 -4.18 121.20 119.18 2khc s ILE 514 Ca 0.25 0.60 -0.19 0.00 -0.51 0.00 0.00 60.65 60.80 2khc s ILE 514 Cb -0.04 -3.61 -0.10 0.00 0.15 0.00 0.00 42.46 38.86 2khc s ILE 514 CO 0.21 -0.80 0.50 -0.62 -2.11 0.00 0.00 174.94 172.12 2khc n GLU 515 N -2.91 0.52 -1.45 3.50 -0.58 -1.26 -4.54 120.64 113.91 2khc n GLU 515 Ca 0.07 0.20 0.00 0.00 -0.42 0.00 0.00 57.16 57.00 2khc n GLU 515 Cb 0.56 -1.61 0.00 0.00 -0.57 0.00 0.00 31.44 29.82 2khc n GLU 515 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2khc n GLY 516 N 1.82 3.73 3.55 0.62 0.00 -1.26 -5.06 105.19 108.59 2khc n GLY 516 Ca 0.11 -1.46 -0.38 0.00 0.00 0.00 0.00 46.02 44.30 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 -1.47 2.41 1.19 1.61 0.04 -1.26 -4.94 135.00 132.58 2khc s PRO 517 Ca 0.00 1.01 -0.15 0.00 0.04 0.00 0.00 61.00 61.90 2khc s PRO 517 Cb 0.00 -4.47 0.26 0.00 0.04 0.00 0.00 34.50 30.32 2khc s PRO 517 CO 0.00 -2.96 0.74 0.39 0.04 0.00 0.00 177.00 175.21 2khc n GLU 518 N 9.09 -2.49 0.00 4.56 1.02 -1.26 -4.26 120.64 127.29 2khc n GLU 518 Ca 0.28 -0.70 0.00 0.00 -0.02 0.00 0.00 57.16 56.72 2khc n GLU 518 Cb 0.53 -2.02 0.00 0.00 -0.02 0.00 0.00 31.44 29.93 2khc n GLU 518 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2khc n GLY 519 N 1.37 1.61 1.50 0.62 0.00 -1.26 -4.96 105.19 104.06 2khc n GLY 519 Ca 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.63 6.38 0.10 0.00 0.01 -0.75 -2.23 114.94 115.82 2khc s ASN 521 Ca 0.49 0.32 0.05 0.00 -0.71 0.00 0.00 52.86 53.01 2khc s ASN 521 Cb 0.42 -1.98 -0.04 0.00 0.41 0.00 0.00 41.25 40.07 2khc s ASN 521 CO 0.01 0.07 -0.13 -0.22 -1.51 0.00 0.00 177.10 175.32 2khc s LEU 522 N -2.91 2.37 -0.15 0.60 2.96 -0.88 -1.31 118.68 119.36 2khc s LEU 522 Ca 0.37 -0.76 -0.00 0.00 -0.22 0.00 0.00 54.13 53.51 2khc s LEU 522 Cb -0.12 -0.49 0.03 0.00 0.50 0.00 0.00 46.19 46.12 2khc s LEU 522 CO 0.28 -0.15 -0.06 0.12 -1.32 0.00 0.00 176.35 175.21 2khc s PHE 523 N -2.00 1.62 0.10 5.38 2.19 -0.83 -2.08 117.98 122.37 2khc s PHE 523 Ca 0.05 -0.95 0.09 0.00 0.33 0.00 0.00 56.93 56.45 2khc s PHE 523 Cb -0.06 -1.29 -0.04 0.00 -1.31 0.00 0.00 43.02 40.33 2khc s PHE 523 CO 0.02 -0.58 -0.23 0.96 1.83 0.00 0.00 175.22 177.22 2khc s ILE 524 N 1.66 1.94 -0.32 3.12 -0.00 -0.94 -2.04 121.20 124.62 2khc s ILE 524 Ca 0.02 -1.57 0.00 0.00 -0.00 0.00 0.00 60.65 59.11 2khc s ILE 524 Cb -0.14 -1.72 0.14 0.00 -0.00 0.00 0.00 42.46 40.73 2khc s ILE 524 CO -0.08 0.06 0.28 -0.72 -0.00 0.00 0.00 174.94 174.48 2khc s TYR 525 N -1.05 -0.18 0.00 1.37 1.13 -0.91 -1.40 117.35 116.30 2khc s TYR 525 Ca 0.10 -0.60 0.00 0.00 -1.41 0.00 0.00 57.07 55.16 2khc s TYR 525 Cb -0.10 -0.56 0.00 0.00 -1.10 0.00 0.00 41.96 40.21 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 4.88 0.00 -2.27 -3.49 -0.00 -0.19 -3.82 115.22 110.32 2khc n HIS 526 Ca 0.02 0.00 -0.27 0.00 0.46 0.00 0.00 57.72 57.93 2khc n HIS 526 Cb 0.44 0.00 0.04 0.00 -0.12 0.00 0.00 29.99 30.35 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 -3.96 3.11 0.94 0.27 2.01 0.30 -3.82 118.68 117.52 2khc s LEU 527 Ca 0.00 0.75 -0.15 0.00 0.01 0.00 0.00 54.13 54.75 2khc s LEU 527 Cb 0.00 -3.55 0.17 0.00 0.01 0.00 0.00 46.19 42.82 2khc s LEU 527 CO 0.00 -1.20 1.22 -2.84 1.01 0.00 0.00 176.35 174.54 2khc s PRO 528 N -5.10 0.88 0.64 1.29 0.02 -1.26 0.90 135.00 132.37 2khc s PRO 528 Ca 0.56 -0.09 0.24 0.00 0.02 0.00 0.00 61.00 61.73 2khc s PRO 528 Cb -0.11 -1.84 1.23 0.00 0.02 0.00 0.00 34.50 33.80 2khc s PRO 528 CO 0.46 -2.30 1.69 -0.56 -0.33 0.00 0.00 177.00 175.96 2khc h GLN 529 N -1.57 0.00 0.00 5.54 -0.00 -1.81 -0.57 115.11 116.71 2khc h GLN 529 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.19 2khc h GLN 529 Cb 1.29 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.77 2khc h GLN 529 CO 0.50 0.00 -0.17 1.49 -0.00 0.00 0.00 178.83 180.65 2khc h GLU 530 N 0.00 0.00 -6.66 0.06 4.81 -1.96 -3.43 114.58 107.40 2khc h GLU 530 Ca 0.11 0.00 -0.53 0.00 -0.13 0.00 0.00 59.36 58.82 2khc h GLU 530 Cb 1.28 0.00 0.04 0.00 0.63 0.00 0.00 28.75 30.70 2khc h GLU 530 CO -0.00 0.00 0.73 0.12 -0.73 0.00 0.00 179.01 179.13 2khc s PHE 531 N -3.15 3.16 0.09 0.92 2.19 -0.22 -5.02 117.98 115.95 2khc s PHE 531 Ca 0.09 1.03 0.05 0.00 0.33 0.00 0.00 56.93 58.42 2khc s PHE 531 Cb 0.11 -3.73 -0.04 0.00 -1.31 0.00 0.00 43.02 38.05 2khc s PHE 531 CO 0.64 -2.42 -0.01 0.99 1.83 0.00 0.00 175.22 176.26 2khc s THR 532 N 0.44 3.98 0.23 0.12 2.01 -1.26 -4.83 115.64 116.33 2khc s THR 532 Ca 0.61 -0.99 0.19 0.00 0.31 0.00 0.00 61.69 61.81 2khc s THR 532 Cb -0.39 -2.89 0.15 0.00 0.01 0.00 0.00 72.50 69.38 2khc s THR 532 CO 0.37 0.13 1.79 -0.78 -0.69 0.00 0.00 174.62 175.43 2khc h ASP 533 N 3.47 0.00 -0.45 3.53 3.58 -1.91 -3.17 116.42 121.46 2khc h ASP 533 Ca -0.48 0.00 0.13 0.00 0.42 0.00 0.00 57.03 57.10 2khc h ASP 533 Cb 1.16 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.20 2khc h ASP 533 CO 0.59 0.34 0.33 0.00 -2.88 0.00 0.00 179.24 177.62 2khc h THR 534 N 0.00 0.78 -0.18 2.25 1.03 -1.91 -2.04 112.91 112.84 2khc h THR 534 Ca -0.00 -0.01 -0.03 0.00 -0.01 0.00 0.00 66.41 66.36 2khc h THR 534 Cb 0.80 0.76 -0.01 0.00 -1.07 0.00 0.00 68.15 68.63 2khc h THR 534 CO 0.04 0.00 -0.01 -0.78 -0.01 0.00 0.00 175.52 174.77 2khc h ASP 535 N 0.02 0.32 -0.12 0.00 1.82 -1.95 -2.16 116.42 114.34 2khc h ASP 535 Ca 0.22 -0.32 -0.01 0.00 -0.39 0.00 0.00 57.03 56.52 2khc h ASP 535 Cb 0.84 -0.09 -0.01 0.00 0.68 0.00 0.00 39.33 40.76 2khc h ASP 535 CO -0.01 0.56 0.04 0.17 -1.61 0.00 0.00 179.24 178.39 2khc h LEU 536 N 0.06 0.18 -0.63 2.28 -0.00 -1.59 -2.44 115.31 113.18 2khc h LEU 536 Ca 0.05 -0.21 0.11 0.00 -0.00 0.00 0.00 57.88 57.82 2khc h LEU 536 Cb 0.40 -0.05 -0.08 0.00 -0.00 0.00 0.00 40.66 40.94 2khc h LEU 536 CO 0.01 0.35 0.21 0.00 -0.00 0.00 0.00 178.44 179.01 2khc h ALA 537 N 0.84 0.80 -0.78 0.17 0.00 -1.42 -1.90 119.26 116.97 2khc h ALA 537 Ca 0.04 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 2khc h ALA 537 Cb 0.23 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 2khc h ALA 537 CO -0.00 -0.22 0.34 1.03 0.00 0.00 0.00 179.25 180.39 2khc h SER 538 N 0.38 1.05 0.53 0.00 0.87 -1.26 -0.48 113.55 114.63 2khc h SER 538 Ca 0.32 -0.16 -0.03 0.00 -1.23 0.00 0.00 61.79 60.70 2khc h SER 538 Cb 0.44 -0.27 0.01 0.00 -0.44 0.00 0.00 62.40 62.13 2khc h SER 538 CO -0.34 0.92 -0.25 0.74 -0.53 0.00 0.00 176.83 177.36 2khc h THR 539 N 1.12 0.40 0.00 2.23 2.02 -0.87 -3.10 112.91 114.72 2khc h THR 539 Ca 0.26 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 67.14 2khc h THR 539 Cb 0.18 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 67.11 2khc h THR 539 CO -0.03 0.04 0.00 2.22 0.37 0.00 0.00 175.52 178.13 2khc n PHE 540 N -5.32 0.00 -0.54 3.16 1.16 -0.90 -4.62 117.46 110.40 2khc n PHE 540 Ca -0.11 0.00 0.42 0.00 -1.87 0.00 0.00 57.45 55.88 2khc n PHE 540 Cb 0.32 -0.15 0.66 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 -1.15 0.06 -0.60 5.98 -0.00 -0.19 0.06 117.00 121.15 2khc n LEU 541 Ca 0.15 0.94 0.45 0.00 -0.00 0.00 0.00 56.01 57.56 2khc n LEU 541 Cb 0.15 -0.47 0.70 0.00 -0.00 0.00 0.00 43.42 43.79 2khc n LEU 541 CO 0.17 -0.98 1.26 -2.65 -0.00 0.00 0.00 177.39 175.19 2khc n PRO 542 N -3.86 -0.00 -0.17 1.47 -0.02 -1.26 -2.25 135.00 128.90 2khc n PRO 542 Ca 0.37 0.92 0.00 0.00 -2.02 0.00 0.00 63.50 62.76 2khc n PRO 542 Cb 1.59 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 32.95 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 -3.63 0.00 0.00 6.00 1.16 0.11 -4.71 117.46 116.40 2khc n PHE 543 Ca 0.38 -0.27 0.00 0.00 -1.87 0.00 0.00 57.45 55.69 2khc n PHE 543 Cb 1.71 -0.44 0.00 0.00 -1.61 0.00 0.00 39.48 39.13 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 3.30 0.00 3.37 4.97 0.00 -0.96 -4.00 105.19 111.87 2khc n GLY 544 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.51 2khc n GLY 544 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2khc n ASN 545 N 0.00 0.62 -4.47 1.61 2.85 -0.68 -4.78 115.26 110.41 2khc n ASN 545 Ca 0.00 0.43 -0.42 0.00 -0.11 0.00 0.00 54.58 54.48 2khc n ASN 545 Cb 0.00 -0.93 -0.10 0.00 1.24 0.00 0.00 39.78 39.98 2khc n ASN 545 CO 0.00 0.00 0.00 0.68 -2.11 0.00 0.00 177.26 175.83 2khc s VAL 546 N 7.49 5.18 -0.31 3.44 -7.23 -1.26 -1.85 120.40 125.86 2khc s VAL 546 Ca 1.26 -0.58 0.02 0.00 -1.81 0.00 0.00 61.98 60.88 2khc s VAL 546 Cb -1.35 -3.83 0.08 0.00 0.56 0.00 0.00 36.38 31.84 2khc s VAL 546 CO 0.57 -0.23 0.00 -0.63 -0.31 0.00 0.00 175.10 174.51 2khc s ILE 547 N 1.67 2.43 0.17 -0.62 1.09 -0.88 0.12 121.20 125.19 2khc s ILE 547 Ca 0.05 -1.94 0.06 0.00 -1.10 0.00 0.00 60.65 57.72 2khc s ILE 547 Cb -0.19 -2.61 -0.04 0.00 -1.06 0.00 0.00 42.46 38.57 2khc s ILE 547 CO 0.10 -0.34 0.07 -0.94 -0.10 0.00 0.00 174.94 173.72 2khc s SER 548 N 1.11 5.14 0.10 3.58 1.04 -1.26 -1.44 113.70 121.97 2khc s SER 548 Ca 0.02 -0.27 -0.09 0.00 0.48 0.00 0.00 55.95 56.09 2khc s SER 548 Cb -0.20 -1.22 -0.00 0.00 0.10 0.00 0.00 66.02 64.70 2khc s SER 548 CO -0.06 0.07 0.20 0.00 0.98 0.00 0.00 173.24 174.44 2khc s ALA 549 N -1.76 -0.16 0.04 5.32 0.00 -0.83 -1.54 121.76 122.82 2khc s ALA 549 Ca 0.29 -0.68 0.02 0.00 0.00 0.00 0.00 51.96 51.59 2khc s ALA 549 Cb -0.10 0.56 -0.02 0.00 0.00 0.00 0.00 23.12 23.56 2khc s ALA 549 CO 0.21 -0.53 -0.08 -1.59 0.00 0.00 0.00 175.76 173.77 2khc s LYS 550 N -3.88 0.53 -0.38 0.00 0.00 -1.26 -2.24 119.74 112.51 2khc s LYS 550 Ca 0.07 -0.69 0.03 0.00 0.00 0.00 0.00 55.97 55.38 2khc s LYS 550 Cb 0.05 -0.34 0.11 0.00 0.00 0.00 0.00 37.83 37.64 2khc s LYS 550 CO -0.09 0.07 0.12 0.08 0.00 0.00 0.00 175.35 175.52 2khc s VAL 551 N -1.20 1.99 -0.26 1.79 1.01 -0.60 -4.87 120.40 118.26 2khc s VAL 551 Ca -0.08 -2.37 -0.11 0.00 0.00 0.00 0.00 61.98 59.42 2khc s VAL 551 Cb -0.09 -2.45 -0.05 0.00 0.00 0.00 0.00 36.38 33.79 2khc s VAL 551 CO 0.00 -0.68 0.17 0.72 0.00 0.00 0.00 175.10 175.32 2khc s PHE 552 N 0.76 3.26 -0.08 5.22 -0.12 -1.26 -2.08 117.98 123.69 2khc s PHE 552 Ca 0.13 0.16 0.02 0.00 -0.05 0.00 0.00 56.93 57.18 2khc s PHE 552 Cb -0.21 -2.32 0.02 0.00 -0.63 0.00 0.00 43.02 39.88 2khc s PHE 552 CO -0.09 -0.05 -0.11 -1.50 -0.05 0.00 0.00 175.22 173.42 2khc s ILE 553 N 1.40 1.12 -0.21 -4.49 -1.16 -1.26 -4.85 121.20 111.75 2khc s ILE 553 Ca 0.07 -0.44 -0.18 0.00 -0.51 0.00 0.00 60.65 59.59 2khc s ILE 553 Cb -0.15 -1.04 0.06 0.00 0.61 0.00 0.00 42.46 41.93 2khc s ILE 553 CO 0.08 0.36 0.55 1.51 -2.81 0.00 0.00 174.94 174.62 2khc s ASP 554 N 0.88 -0.59 0.00 4.50 1.47 -1.26 -3.75 116.67 117.92 2khc s ASP 554 Ca -0.10 1.12 0.00 0.00 1.18 0.00 0.00 52.55 54.75 2khc s ASP 554 Cb -0.15 1.12 0.00 0.00 -0.34 0.00 0.00 42.92 43.55 2khc s ASP 554 CO 0.01 -0.19 0.91 1.17 0.68 0.00 0.00 175.17 177.75 2khc n LYS 555 N 2.96 0.00 0.00 2.11 0.00 -1.26 -4.71 118.16 117.26 2khc n LYS 555 Ca -0.15 0.54 0.00 0.00 0.00 0.00 0.00 58.31 58.70 2khc n LYS 555 Cb 0.56 -1.41 0.00 0.00 0.00 0.00 0.00 35.03 34.18 2khc n LYS 555 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2khc n GLN 556 N -1.96 0.00 0.00 1.64 10.64 -1.26 -4.99 117.38 121.45 2khc n GLN 556 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 2khc n GLN 556 Cb 0.00 -0.16 0.00 0.00 -0.86 0.00 0.00 30.24 29.22 2khc n GLN 556 CO 0.00 0.00 0.00 -2.37 -1.83 0.00 0.00 177.06 172.86 2khc n THR 557 N -1.91 0.00 0.64 -0.39 5.66 -1.26 -4.92 114.28 112.10 2khc n THR 557 Ca 0.00 -0.01 0.10 0.00 -3.05 0.00 0.00 64.05 61.10 2khc n THR 557 Cb 0.00 0.16 0.27 0.00 -1.55 0.00 0.00 70.33 69.22 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 -0.15 2.65 -4.37 1.09 2.88 -1.26 -4.88 113.62 109.58 2khc n SER 558 Ca 0.00 -1.90 -0.35 0.00 -1.33 0.00 0.00 58.87 55.29 2khc n SER 558 Cb 0.00 -0.23 -0.13 0.00 -0.75 0.00 0.00 64.21 63.10 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 -1.37 3.09 -0.65 2.46 1.43 -1.26 -4.99 118.68 117.38 2khc s LEU 559 Ca 0.35 -0.32 -0.04 0.00 -1.03 0.00 0.00 54.13 53.10 2khc s LEU 559 Cb 0.20 -1.80 0.17 0.00 0.03 0.00 0.00 46.19 44.79 2khc s LEU 559 CO 0.27 -0.01 0.48 -0.94 0.23 0.00 0.00 176.35 176.38 2khc s SER 560 N 1.45 5.36 -0.16 2.29 1.04 -1.26 -4.18 113.70 118.23 2khc s SER 560 Ca 0.05 -2.89 -0.04 0.00 0.48 0.00 0.00 55.95 53.55 2khc s SER 560 Cb -0.15 -1.88 0.08 0.00 0.10 0.00 0.00 66.02 64.17 2khc s SER 560 CO -0.01 -0.37 0.27 -1.59 0.98 0.00 0.00 173.24 172.52 2khc s LYS 561 N -0.12 0.18 0.22 4.02 -2.85 -1.25 -4.49 119.74 115.46 2khc s LYS 561 Ca 0.17 0.59 -0.23 0.00 -1.00 0.00 0.00 55.97 55.50 2khc s LYS 561 Cb -0.19 -0.39 0.05 0.00 -2.06 0.00 0.00 37.83 35.24 2khc s LYS 561 CO -0.04 -0.42 0.88 0.00 0.10 0.00 0.00 175.35 175.87 2khc s PHE 563 N -3.31 0.91 0.25 0.00 -0.12 -0.88 0.11 117.98 114.93 2khc s PHE 563 Ca 0.13 -0.86 0.11 0.00 -0.05 0.00 0.00 56.93 56.26 2khc s PHE 563 Cb -0.03 -0.52 -0.05 0.00 -0.63 0.00 0.00 43.02 41.79 2khc s PHE 563 CO 0.05 -0.12 -0.16 0.20 -0.05 0.00 0.00 175.22 175.14 2khc s GLY 564 N -2.92 1.79 -0.06 1.99 0.00 -0.50 -1.56 107.32 106.06 2khc s GLY 564 Ca 0.10 -1.74 0.04 0.00 0.00 0.00 0.00 44.72 43.12 2khc s GLY 564 CO -0.04 -1.81 -0.18 -1.36 0.00 0.00 0.00 173.10 169.72 2khc s PHE 565 N -2.22 2.61 0.02 1.90 0.40 -0.95 -2.22 117.98 117.53 2khc s PHE 565 Ca 0.28 -0.40 0.02 0.00 -0.60 0.00 0.00 56.93 56.23 2khc s PHE 565 Cb -0.06 -1.64 -0.02 0.00 0.51 0.00 0.00 43.02 41.81 2khc s PHE 565 CO 0.15 0.00 -0.06 0.54 0.70 0.00 0.00 175.22 176.55 2khc s VAL 566 N -0.41 0.46 -0.23 -0.44 0.11 -0.88 -1.95 120.40 117.05 2khc s VAL 566 Ca 0.04 -0.75 -0.00 0.00 -2.93 0.00 0.00 61.98 58.34 2khc s VAL 566 Cb -0.12 -0.48 0.06 0.00 -1.53 0.00 0.00 36.38 34.31 2khc s VAL 566 CO 0.02 -0.21 -0.01 -0.55 -3.33 0.00 0.00 175.10 171.02 2khc s SER 567 N -1.03 3.58 -0.22 3.54 0.15 -0.52 -2.07 113.70 117.14 2khc s SER 567 Ca -0.06 -1.13 -0.10 0.00 0.70 0.00 0.00 55.95 55.36 2khc s SER 567 Cb -0.07 -0.97 -0.05 0.00 -1.71 0.00 0.00 66.02 63.22 2khc s SER 567 CO 0.00 -0.28 0.14 -0.36 1.20 0.00 0.00 173.24 173.94 2khc s PHE 568 N 1.55 3.34 -0.53 3.44 0.08 -0.95 -2.08 117.98 122.84 2khc s PHE 568 Ca -0.02 0.24 0.04 0.00 0.12 0.00 0.00 56.93 57.30 2khc s PHE 568 Cb -0.18 -2.21 0.14 0.00 -0.57 0.00 0.00 43.02 40.21 2khc s PHE 568 CO -0.09 0.16 0.31 -0.51 -0.10 0.00 0.00 175.22 174.99 2khc s ASP 569 N 0.72 4.08 0.25 1.36 1.01 -0.77 -2.05 116.67 121.27 2khc s ASP 569 Ca 0.07 -3.10 -0.10 0.00 0.71 0.00 0.00 52.55 50.13 2khc s ASP 569 Cb -0.12 -1.40 0.04 0.00 1.01 0.00 0.00 42.92 42.45 2khc s ASP 569 CO 0.01 -0.20 0.53 -3.20 0.21 0.00 0.00 175.17 172.52 2khc n ASN 570 N 2.96 -1.49 -3.46 0.27 5.15 -1.26 -1.69 115.26 115.74 2khc n ASN 570 Ca 0.11 -2.02 -0.31 0.00 -0.60 0.00 0.00 54.58 51.76 2khc n ASN 570 Cb 0.34 2.48 0.28 0.00 -0.53 0.00 0.00 39.78 42.35 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 -2.76 0.64 1.20 0.02 -1.26 -4.71 135.00 126.08 2khc s PRO 571 Ca 0.11 0.08 0.24 0.00 0.02 0.00 0.00 61.00 61.45 2khc s PRO 571 Cb -0.03 -1.40 1.25 0.00 0.02 0.00 0.00 34.50 34.34 2khc s PRO 571 CO 0.08 -4.75 1.70 0.38 -0.33 0.00 0.00 177.00 174.08 2khc h ASP 572 N -3.33 0.00 -1.01 2.53 2.03 -2.00 -0.95 116.42 113.70 2khc h ASP 572 Ca -0.43 0.00 0.24 0.00 -0.73 0.00 0.00 57.03 56.11 2khc h ASP 572 Cb 1.33 0.00 -0.09 0.00 -0.83 0.00 0.00 39.33 39.74 2khc h ASP 572 CO 0.28 0.00 0.64 0.28 -1.03 0.00 0.00 179.24 179.41 2khc h SER 573 N 0.00 0.54 -0.49 4.15 0.02 -1.94 0.84 113.55 116.67 2khc h SER 573 Ca 0.08 0.08 -0.08 0.00 -0.84 0.00 0.00 61.79 61.03 2khc h SER 573 Cb 1.18 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 63.70 2khc h SER 573 CO -0.00 0.14 -0.02 0.00 -1.14 0.00 0.00 176.83 175.81 2khc h ALA 574 N 1.64 0.66 -0.66 3.77 0.00 -1.45 -2.10 119.26 121.12 2khc h ALA 574 Ca 0.58 -0.29 0.06 0.00 0.00 0.00 0.00 54.91 55.25 2khc h ALA 574 Cb 1.29 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.85 2khc h ALA 574 CO -0.31 0.48 0.37 1.96 0.00 0.00 0.00 179.25 181.75 2khc h GLN 575 N 0.73 0.66 -0.79 0.00 7.50 0.42 -0.54 115.11 123.08 2khc h GLN 575 Ca 0.14 -0.04 0.03 0.00 0.50 0.00 0.00 58.65 59.28 2khc h GLN 575 Cb 0.54 -0.15 -0.04 0.00 0.05 0.00 0.00 27.48 27.88 2khc h GLN 575 CO 0.03 0.44 0.52 0.28 -1.50 0.00 0.00 178.83 178.60 2khc h VAL 576 N 0.68 1.13 -0.52 -0.54 2.07 -0.46 -1.18 116.25 117.43 2khc h VAL 576 Ca 0.29 -0.34 -0.03 0.00 0.82 0.00 0.00 66.70 67.44 2khc h VAL 576 Cb 0.18 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 29.98 2khc h VAL 576 CO -0.18 0.18 0.19 0.00 0.02 0.00 0.00 177.57 177.78 2khc h ALA 577 N 1.53 1.36 0.11 1.67 0.00 -0.44 -2.18 119.26 121.31 2khc h ALA 577 Ca 0.31 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2khc h ALA 577 Cb 0.03 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.60 2khc h ALA 577 CO -0.09 0.48 -0.05 0.82 0.00 0.00 0.00 179.25 180.41 2khc h ILE 578 N 0.74 0.99 -0.17 0.00 2.04 -0.61 -2.82 117.51 117.68 2khc h ILE 578 Ca 0.18 -1.33 -0.16 0.00 1.00 0.00 0.00 64.86 64.54 2khc h ILE 578 Cb 0.18 1.71 -0.01 0.00 -0.74 0.00 0.00 36.82 37.97 2khc h ILE 578 CO -0.01 0.28 -0.55 0.11 0.00 0.00 0.00 178.15 177.97 2khc h LYS 579 N -0.86 0.52 0.00 2.37 6.56 -1.48 -3.08 116.57 120.60 2khc h LYS 579 Ca -0.01 -0.33 0.00 0.00 -1.06 0.00 0.00 60.65 59.24 2khc h LYS 579 Cb 0.56 0.04 0.00 0.00 -0.57 0.00 0.00 32.23 32.26 2khc h LYS 579 CO 0.02 0.94 0.00 0.00 -2.06 0.00 0.00 179.45 178.35 2khc h ALA 580 N 0.99 1.00 -3.31 3.86 0.00 -1.54 -3.44 119.26 116.82 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 1.09 0.00 -0.36 0.00 0.00 0.00 0.00 17.79 18.52 2khc h ALA 580 CO 0.10 0.00 -0.78 1.41 0.00 0.00 0.00 179.25 179.98 2khc s MET 581 N -3.38 1.04 0.92 0.00 -2.45 -1.06 -5.06 119.30 109.31 2khc s MET 581 Ca 0.05 -0.11 -0.11 0.00 -1.25 0.00 0.00 55.69 54.27 2khc s MET 581 Cb 0.08 -1.14 0.15 0.00 1.25 0.00 0.00 34.83 35.16 2khc s MET 581 CO 0.59 -0.19 1.10 -0.80 1.05 0.00 0.00 175.02 176.77 2khc s ASN 582 N 1.45 3.05 -0.00 1.11 -0.87 -1.26 -4.73 114.94 113.69 2khc s ASN 582 Ca -0.02 1.82 0.01 0.00 -1.57 0.00 0.00 52.86 53.11 2khc s ASN 582 Cb -0.13 -2.41 -0.01 0.00 -0.02 0.00 0.00 41.25 38.67 2khc s ASN 582 CO -0.04 -2.96 0.04 0.61 -2.57 0.00 0.00 177.10 172.19 2khc n GLY 583 N -0.32 0.54 2.82 0.66 0.00 -1.26 -4.98 105.19 102.65 2khc n GLY 583 Ca 0.09 -0.03 -0.28 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 -1.47 1.41 -0.41 1.61 2.19 -1.26 -4.73 117.98 115.31 2khc s PHE 584 Ca 0.00 -0.98 -0.15 0.00 0.33 0.00 0.00 56.93 56.13 2khc s PHE 584 Cb 0.01 -1.18 0.02 0.00 -1.31 0.00 0.00 43.02 40.56 2khc s PHE 584 CO 0.05 -0.60 0.32 -0.65 1.83 0.00 0.00 175.22 176.16 2khc s GLN 585 N 1.73 3.03 0.17 10.12 -0.21 -1.25 -2.19 119.66 131.06 2khc s GLN 585 Ca -0.00 -0.95 0.08 0.00 0.02 0.00 0.00 55.36 54.51 2khc s GLN 585 Cb -0.16 -3.96 -0.04 0.00 1.00 0.00 0.00 33.01 29.84 2khc s GLN 585 CO -0.07 -0.74 -0.18 0.08 -2.12 0.00 0.00 175.29 172.26 2khc s VAL 586 N 1.75 1.80 0.49 1.09 1.01 -0.92 -4.97 120.40 120.65 2khc s VAL 586 Ca 0.06 -1.96 0.38 0.00 0.00 0.00 0.00 61.98 60.46 2khc s VAL 586 Cb -0.19 -1.87 0.58 0.00 0.00 0.00 0.00 36.38 34.91 2khc s VAL 586 CO 0.11 -0.36 1.63 1.23 0.00 0.00 0.00 175.10 177.70 2khc h GLY 587 N 3.15 0.74 -5.92 4.51 0.00 -2.07 -2.36 103.07 101.13 2khc h GLY 587 Ca -0.42 -0.06 -0.40 0.00 0.00 0.00 0.00 47.33 46.45 2khc h GLY 587 CO 0.53 -0.23 -0.76 -0.51 0.00 0.00 0.00 176.54 175.56 2khc s THR 588 N -5.12 -0.23 -0.30 4.70 -4.23 -1.26 -5.07 115.64 104.13 2khc s THR 588 Ca -0.06 -1.79 -0.09 0.00 -1.18 0.00 0.00 61.69 58.57 2khc s THR 588 Cb 0.28 -0.73 0.18 0.00 1.34 0.00 0.00 72.50 73.57 2khc s THR 588 CO 0.85 -0.71 0.85 -0.75 -0.54 0.00 0.00 174.62 174.32 2khc s LYS 589 N 0.59 0.36 -0.12 3.99 2.20 -0.89 -5.15 119.74 120.73 2khc s LYS 589 Ca 0.29 0.69 0.01 0.00 -0.36 0.00 0.00 55.97 56.61 2khc s LYS 589 Cb -0.01 0.39 -0.01 0.00 -1.51 0.00 0.00 37.83 36.69 2khc s LYS 589 CO -0.12 -0.34 -0.17 0.50 -0.36 0.00 0.00 175.35 174.86 2khc s ARG 590 N 2.85 3.25 0.20 4.03 3.52 -1.24 -2.16 118.95 129.40 2khc s ARG 590 Ca 0.07 -0.76 -0.30 0.00 -0.13 0.00 0.00 55.73 54.61 2khc s ARG 590 Cb -0.12 -2.51 -0.08 0.00 -1.56 0.00 0.00 34.95 30.68 2khc s ARG 590 CO -0.16 0.19 1.00 -1.17 -0.81 0.00 0.00 175.30 174.34 2khc s LEU 591 N 0.39 4.56 -0.52 -0.88 0.20 -0.93 -4.81 118.68 116.69 2khc s LEU 591 Ca -0.13 1.98 -0.25 0.00 0.69 0.00 0.00 54.13 56.41 2khc s LEU 591 Cb -0.17 -3.61 0.03 0.00 -0.43 0.00 0.00 46.19 42.02 2khc s LEU 591 CO 0.06 -0.02 0.99 -0.54 -0.29 0.00 0.00 176.35 176.56 2khc s LYS 592 N -0.73 3.44 -0.52 1.98 3.01 -1.25 -3.98 119.74 121.69 2khc s LYS 592 Ca 0.45 0.00 -0.21 0.00 -1.01 0.00 0.00 55.97 55.20 2khc s LYS 592 Cb -0.27 -4.00 0.05 0.00 -1.01 0.00 0.00 37.83 32.61 2khc s LYS 592 CO 0.33 -1.43 0.72 0.54 0.51 0.00 0.00 175.35 176.02 2khc s VAL 593 N 4.09 4.73 -0.41 3.17 0.11 -1.26 -2.14 120.40 128.68 2khc s VAL 593 Ca 0.36 -0.27 -0.07 0.00 -2.93 0.00 0.00 61.98 59.06 2khc s VAL 593 Cb -0.11 -4.37 0.09 0.00 -1.53 0.00 0.00 36.38 30.46 2khc s VAL 593 CO 0.23 -0.90 0.23 -1.10 -3.33 0.00 0.00 175.10 170.24 2khc s GLN 594 N 3.01 2.44 0.48 1.54 -1.52 -0.87 -4.94 119.66 119.81 2khc s GLN 594 Ca 0.19 -1.55 -0.04 0.00 -1.95 0.00 0.00 55.36 52.01 2khc s GLN 594 Cb -0.17 -3.70 -0.02 0.00 -0.22 0.00 0.00 33.01 28.89 2khc s GLN 594 CO 0.14 -0.98 0.76 -0.48 -0.25 0.00 0.00 175.29 174.48 2khc s LEU 595 N 1.34 3.61 -0.21 2.90 0.05 -1.26 -1.97 118.68 123.14 2khc s LEU 595 Ca 0.04 0.76 -0.04 0.00 0.05 0.00 0.00 54.13 54.93 2khc s LEU 595 Cb -0.23 -3.67 0.11 0.00 -2.05 0.00 0.00 46.19 40.35 2khc s LEU 595 CO 0.00 -0.64 0.34 -1.59 -0.55 0.00 0.00 176.35 173.91 2khc s LYS 596 N -4.71 0.29 0.00 1.48 -2.85 -0.43 -4.96 119.74 108.56 2khc s LYS 596 Ca 0.48 0.59 0.00 0.00 -1.00 0.00 0.00 55.97 56.04 2khc s LYS 596 Cb -0.10 -0.41 0.00 0.00 -2.06 0.00 0.00 37.83 35.26 2khc s LYS 596 CO 0.43 -0.53 0.34 0.36 0.10 0.00 0.00 175.35 176.05