#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gkl n GLY 451 N 0.00 1.50 3.65 -1.23 0.00 -1.15 -4.83 105.19 103.13 3gkl n GLY 451 Ca 0.00 -0.71 -0.09 0.00 0.00 0.00 0.00 46.02 45.23 3gkl n GLY 451 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gkl s LYS 452 N -2.00 1.64 0.05 1.61 2.36 -1.26 -1.76 119.74 120.37 3gkl s LYS 452 Ca 0.00 -1.22 0.04 0.00 -2.55 0.00 0.00 55.97 52.23 3gkl s LYS 452 Cb 0.00 0.50 -0.02 0.00 -1.05 0.00 0.00 37.83 37.26 3gkl s LYS 452 CO 0.00 -0.70 -0.11 0.00 1.55 0.00 0.00 175.35 176.09 3gkl s ALA 453 N -3.90 0.87 0.13 3.13 0.00 -1.26 -1.17 121.76 119.56 3gkl s ALA 453 Ca 0.20 -0.79 0.02 0.00 0.00 0.00 0.00 51.96 51.38 3gkl s ALA 453 Cb -0.02 -0.06 -0.04 0.00 0.00 0.00 0.00 23.12 22.99 3gkl s ALA 453 CO 0.09 0.10 -0.03 0.95 0.00 0.00 0.00 175.76 176.87 3gkl s THR 454 N -1.10 0.65 0.00 0.00 -4.23 -0.95 -4.42 115.64 105.58 3gkl s THR 454 Ca -0.04 -1.95 0.00 0.00 -1.18 0.00 0.00 61.69 58.52 3gkl s THR 454 Cb -0.09 -1.87 0.00 0.00 1.34 0.00 0.00 72.50 71.89 3gkl s THR 454 CO 0.01 -0.70 0.00 0.61 -0.54 0.00 0.00 174.62 174.00 3gkl n GLY 455 N -0.12 2.85 0.02 3.99 0.00 -1.26 -0.45 105.19 110.22 3gkl n GLY 455 Ca -0.10 -1.98 0.11 0.00 0.00 0.00 0.00 46.02 44.05 3gkl n GLY 455 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3gkl n LYS 456 N -0.16 0.54 0.00 1.61 5.02 -1.26 -4.83 118.16 119.08 3gkl n LYS 456 Ca 0.00 -0.13 0.00 0.00 -2.02 0.00 0.00 58.31 56.16 3gkl n LYS 456 Cb 0.00 -1.55 0.00 0.00 -0.02 0.00 0.00 35.03 33.46 3gkl n LYS 456 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3gkl n GLY 457 N 1.29 0.91 3.41 0.72 0.00 -1.26 -4.23 105.19 106.02 3gkl n GLY 457 Ca -0.02 -0.80 -0.10 0.00 0.00 0.00 0.00 46.02 45.09 3gkl n GLY 457 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gkl s LYS 458 N 0.00 1.37 0.09 1.61 1.02 -0.86 -4.74 119.74 118.22 3gkl s LYS 458 Ca 0.00 -1.40 -0.30 0.00 0.02 0.00 0.00 55.97 54.29 3gkl s LYS 458 Cb 0.00 0.38 -0.05 0.00 -0.52 0.00 0.00 37.83 37.64 3gkl s LYS 458 CO 0.00 -0.52 0.97 -2.14 -0.92 0.00 0.00 175.35 172.74 3gkl s PRO 459 N -4.07 4.66 0.10 -1.68 0.01 -1.26 -0.55 135.00 132.21 3gkl s PRO 459 Ca 0.29 1.46 0.07 0.00 0.01 0.00 0.00 61.00 62.83 3gkl s PRO 459 Cb 0.03 -3.39 -0.03 0.00 0.01 0.00 0.00 34.50 31.11 3gkl s PRO 459 CO 0.09 0.14 -0.18 0.14 0.01 0.00 0.00 177.00 177.20 3gkl s VAL 460 N 0.24 1.53 0.58 3.83 -7.23 -1.26 -4.98 120.40 113.11 3gkl s VAL 460 Ca 0.48 -1.52 -0.06 0.00 -1.81 0.00 0.00 61.98 59.08 3gkl s VAL 460 Cb -0.23 -1.44 0.13 0.00 0.56 0.00 0.00 36.38 35.40 3gkl s VAL 460 CO 0.30 -0.15 0.79 -0.46 -0.31 0.00 0.00 175.10 175.27 3gkl n ASN 461 N 1.05 0.44 -0.24 4.85 0.23 -1.26 -4.92 115.26 115.41 3gkl n ASN 461 Ca -0.19 -1.52 0.02 0.00 -0.53 0.00 0.00 54.58 52.36 3gkl n ASN 461 Cb 0.54 -0.57 0.05 0.00 -2.08 0.00 0.00 39.78 37.72 3gkl n ASN 461 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 3gkl n ASN 462 N -3.29 0.66 -2.38 0.53 6.94 -1.26 -3.40 115.26 113.06 3gkl n ASN 462 Ca 0.11 -2.01 -0.25 0.00 -0.02 0.00 0.00 54.58 52.41 3gkl n ASN 462 Cb 0.39 -0.10 0.01 0.00 -2.36 0.00 0.00 39.78 37.71 3gkl n ASN 462 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 3gkl n LYS 463 N -0.16 3.39 -0.13 -3.83 4.76 -1.26 -4.89 118.16 116.03 3gkl n LYS 463 Ca 0.04 -4.37 -0.04 0.00 -2.87 0.00 0.00 58.31 51.06 3gkl n LYS 463 Cb 0.11 -2.22 0.04 0.00 -1.84 0.00 0.00 35.03 31.12 3gkl n LYS 463 CO 0.00 0.00 0.00 2.35 -1.37 0.00 0.00 177.40 178.38 3gkl h TRP 464 N 2.49 0.23 -0.38 2.13 7.01 -1.94 -2.23 115.95 123.26 3gkl h TRP 464 Ca 0.30 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.32 3gkl h TRP 464 Cb 1.09 -0.04 0.00 0.00 -2.10 0.00 0.00 29.16 28.11 3gkl h TRP 464 CO 0.81 0.07 0.00 1.28 -2.79 0.00 0.00 178.44 177.82 3gkl n LEU 465 N -5.04 2.72 0.08 0.65 4.77 -1.26 -4.14 117.00 114.78 3gkl n LEU 465 Ca 0.03 -1.37 -0.13 0.00 -0.03 0.00 0.00 56.01 54.52 3gkl n LEU 465 Cb 0.17 -0.39 -0.06 0.00 -2.33 0.00 0.00 43.42 40.81 3gkl n LEU 465 CO 0.25 0.52 0.14 0.78 -1.33 0.00 0.00 177.39 177.75 3gkl h ASN 466 N 2.35 0.44 -0.65 -1.43 -0.26 -1.83 -3.01 115.58 111.19 3gkl h ASN 466 Ca 0.00 -0.38 -0.31 0.00 -0.56 0.00 0.00 56.30 55.05 3gkl h ASN 466 Cb 0.83 -0.14 -0.19 0.00 -1.06 0.00 0.00 38.32 37.76 3gkl h ASN 466 CO 0.10 1.21 0.40 -3.20 -1.06 0.00 0.00 177.43 174.87 3gkl n ASN 467 N -3.67 3.61 -0.14 5.81 2.85 -1.26 -4.17 115.26 118.29 3gkl n ASN 467 Ca -0.06 -3.05 0.14 0.00 -0.11 0.00 0.00 54.58 51.50 3gkl n ASN 467 Cb 0.88 -0.72 0.65 0.00 1.24 0.00 0.00 39.78 41.83 3gkl n ASN 467 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3gkl n ALA 468 N -0.50 2.73 1.17 5.20 0.00 -1.14 -3.29 120.51 124.68 3gkl n ALA 468 Ca 0.39 -0.28 0.12 0.00 0.00 0.00 0.00 53.44 53.67 3gkl n ALA 468 Cb 1.26 -1.34 0.28 0.00 0.00 0.00 0.00 19.45 19.65 3gkl n ALA 468 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gkl n GLY 469 N 1.23 -0.53 3.44 0.00 0.00 -1.26 -2.21 105.19 105.85 3gkl n GLY 469 Ca 0.16 -0.45 -0.23 0.00 0.00 0.00 0.00 46.02 45.50 3gkl n GLY 469 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gkl s LYS 470 N -2.54 1.60 0.00 1.61 1.02 -1.21 -4.73 119.74 115.49 3gkl s LYS 470 Ca 0.22 -1.72 0.00 0.00 0.02 0.00 0.00 55.97 54.49 3gkl s LYS 470 Cb 0.19 -1.63 0.00 0.00 -0.52 0.00 0.00 37.83 35.87 3gkl s LYS 470 CO 0.55 0.30 0.00 -0.25 -0.92 0.00 0.00 175.35 175.03 3gkl n ASP 471 N -0.53 0.00 -0.59 2.83 9.92 -1.26 -1.07 116.55 125.85 3gkl n ASP 471 Ca -0.06 0.00 0.09 0.00 -0.53 0.00 0.00 54.79 54.29 3gkl n ASP 471 Cb 0.60 0.00 0.30 0.00 -0.64 0.00 0.00 41.12 41.37 3gkl n ASP 471 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 3gkl n LEU 472 N 0.00 1.76 0.00 0.64 4.77 -1.26 -5.01 117.00 117.90 3gkl n LEU 472 Ca 0.00 -0.79 0.00 0.00 -0.03 0.00 0.00 56.01 55.19 3gkl n LEU 472 Cb 0.00 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 3gkl n LEU 472 CO 0.00 0.40 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 3gkl n GLY 473 N 1.11 -1.74 3.78 -0.72 0.00 -0.23 -4.54 105.19 102.85 3gkl n GLY 473 Ca 0.15 -2.00 -0.38 0.00 0.00 0.00 0.00 46.02 43.78 3gkl n GLY 473 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gkl s SER 474 N -4.00 7.34 0.94 1.61 0.01 -0.90 -4.71 113.70 113.99 3gkl s SER 474 Ca 0.00 1.65 -0.12 0.00 1.31 0.00 0.00 55.95 58.80 3gkl s SER 474 Cb 0.00 -2.50 0.16 0.00 0.21 0.00 0.00 66.02 63.88 3gkl s SER 474 CO 0.00 0.14 1.09 -2.16 0.41 0.00 0.00 173.24 172.71 3gkl s PRO 475 N -1.43 0.86 0.12 12.44 0.04 -1.26 -0.82 135.00 144.95 3gkl s PRO 475 Ca 0.39 0.88 -0.31 0.00 0.04 0.00 0.00 61.00 62.01 3gkl s PRO 475 Cb -0.22 -1.76 -0.09 0.00 0.04 0.00 0.00 34.50 32.47 3gkl s PRO 475 CO 0.25 -2.53 1.68 0.08 0.04 0.00 0.00 177.00 176.53 3gkl s VAL 476 N -2.84 2.74 0.58 -0.36 1.01 -1.26 -4.71 120.40 115.56 3gkl s VAL 476 Ca 0.65 0.33 -0.18 0.00 0.00 0.00 0.00 61.98 62.78 3gkl s VAL 476 Cb -0.20 -3.21 -0.04 0.00 0.00 0.00 0.00 36.38 32.94 3gkl s VAL 476 CO 0.58 0.01 1.13 -2.84 0.00 0.00 0.00 175.10 173.98 3gkl s PRO 477 N 2.21 3.15 0.08 2.72 0.02 -1.26 -2.04 135.00 139.88 3gkl s PRO 477 Ca 0.75 1.55 -0.21 0.00 0.02 0.00 0.00 61.00 63.11 3gkl s PRO 477 Cb -0.43 -1.98 -0.12 0.00 0.02 0.00 0.00 34.50 31.99 3gkl s PRO 477 CO 0.33 -1.00 1.62 0.38 -0.33 0.00 0.00 177.00 178.00 3gkl h ASP 478 N 0.80 0.18 -0.99 2.53 2.03 -1.00 -1.87 116.42 118.10 3gkl h ASP 478 Ca -0.49 -0.16 0.22 0.00 -0.73 0.00 0.00 57.03 55.87 3gkl h ASP 478 Cb 1.26 -0.05 -0.09 0.00 -0.83 0.00 0.00 39.33 39.62 3gkl h ASP 478 CO 0.56 0.29 0.63 0.03 -1.03 0.00 0.00 179.24 179.71 3gkl h ARG 479 N 0.05 0.52 0.09 4.15 3.08 -1.87 0.10 114.38 120.51 3gkl h ARG 479 Ca 0.04 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 3gkl h ARG 479 Cb 0.16 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.10 3gkl h ARG 479 CO -0.00 0.35 -0.04 0.82 -1.07 0.00 0.00 179.97 180.02 3gkl h ILE 480 N 0.54 1.12 -0.88 2.04 1.08 -1.86 -2.94 117.51 116.61 3gkl h ILE 480 Ca 0.55 -1.35 0.16 0.00 -0.39 0.00 0.00 64.86 63.84 3gkl h ILE 480 Cb 1.18 1.91 -0.16 0.00 -3.07 0.00 0.00 36.82 36.68 3gkl h ILE 480 CO -0.30 0.30 -0.28 0.00 -0.69 0.00 0.00 178.15 177.18 3gkl h ALA 481 N -0.07 0.39 -1.02 1.87 0.00 -1.11 0.17 119.26 119.48 3gkl h ALA 481 Ca -0.01 0.30 0.24 0.00 0.00 0.00 0.00 54.91 55.45 3gkl h ALA 481 Cb 0.59 0.78 -0.10 0.00 0.00 0.00 0.00 17.79 19.05 3gkl h ALA 481 CO 0.02 -0.49 0.64 -0.91 0.00 0.00 0.00 179.25 178.50 3gkl h ASN 482 N -0.02 0.56 0.20 0.00 2.35 -0.63 -1.25 115.58 116.77 3gkl h ASN 482 Ca 0.38 0.10 -0.30 0.00 -0.55 0.00 0.00 56.30 55.92 3gkl h ASN 482 Cb 0.62 0.00 0.03 0.00 0.05 0.00 0.00 38.32 39.03 3gkl h ASN 482 CO -0.90 0.13 -1.30 0.11 -1.65 0.00 0.00 177.43 173.81 3gkl h LYS 483 N 0.51 0.54 -0.02 0.81 1.79 -0.89 -3.32 116.57 115.98 3gkl h LYS 483 Ca 0.60 -0.84 -0.14 0.00 -2.18 0.00 0.00 60.65 58.09 3gkl h LYS 483 Cb 1.31 0.30 -0.02 0.00 -1.58 0.00 0.00 32.23 32.24 3gkl h LYS 483 CO -0.35 1.39 -0.63 -0.07 -1.08 0.00 0.00 179.45 178.71 3gkl h LEU 484 N 0.11 0.10 -0.77 2.94 3.38 -0.15 -3.08 115.31 117.83 3gkl h LEU 484 Ca -0.22 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.69 3gkl h LEU 484 Cb 2.01 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.73 3gkl h LEU 484 CO 0.25 0.71 0.00 0.08 0.09 0.00 0.00 178.44 179.56 3gkl h ARG 485 N 0.06 0.00 0.00 1.13 0.11 -1.36 -0.88 114.38 113.44 3gkl h ARG 485 Ca -0.01 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.07 3gkl h ARG 485 Cb 1.13 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.21 3gkl h ARG 485 CO 0.09 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 179.91 3gkl n ASP 486 N -2.47 0.00 -4.67 0.08 8.00 -1.16 -4.73 116.55 111.60 3gkl n ASP 486 Ca 0.02 -0.72 -0.23 0.00 0.71 0.00 0.00 54.79 54.57 3gkl n ASP 486 Cb 0.28 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.31 3gkl n ASP 486 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3gkl s LYS 487 N -2.00 2.27 0.05 -1.24 1.02 -0.34 -5.13 119.74 114.37 3gkl s LYS 487 Ca 0.29 -1.54 0.05 0.00 0.02 0.00 0.00 55.97 54.79 3gkl s LYS 487 Cb 0.13 -2.11 -0.04 0.00 -0.52 0.00 0.00 37.83 35.29 3gkl s LYS 487 CO 0.22 0.23 -0.07 -1.83 -0.92 0.00 0.00 175.35 172.98 3gkl s GLU 488 N -3.74 2.40 0.52 1.68 -1.05 -1.26 -4.40 118.70 112.86 3gkl s GLU 488 Ca 0.34 -0.84 0.03 0.00 -0.15 0.00 0.00 54.97 54.35 3gkl s GLU 488 Cb -0.04 -2.44 0.01 0.00 -0.44 0.00 0.00 34.13 31.22 3gkl s GLU 488 CO 0.21 0.56 0.17 -0.06 0.95 0.00 0.00 175.26 177.09 3gkl s PHE 489 N -1.11 1.79 0.00 4.83 0.08 -0.72 -5.00 117.98 117.84 3gkl s PHE 489 Ca 0.20 -0.89 0.00 0.00 0.12 0.00 0.00 56.93 56.35 3gkl s PHE 489 Cb -0.11 -1.75 0.00 0.00 -0.57 0.00 0.00 43.02 40.59 3gkl s PHE 489 CO 0.11 -0.06 0.21 1.63 -0.10 0.00 0.00 175.22 177.01 3gkl n LYS 490 N -1.47 0.92 0.00 0.44 5.02 -1.26 -2.93 118.16 118.88 3gkl n LYS 490 Ca -0.11 -0.21 0.00 0.00 -2.02 0.00 0.00 58.31 55.96 3gkl n LYS 490 Cb 0.66 -0.65 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 3gkl n LYS 490 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3gkl n SER 491 N -0.19 0.00 0.24 4.39 3.41 -1.26 -4.63 113.62 115.58 3gkl n SER 491 Ca 0.00 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.71 3gkl n SER 491 Cb 0.07 0.00 0.60 0.00 -0.26 0.00 0.00 64.21 64.62 3gkl n SER 491 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 3gkl h PHE 492 N 0.00 0.00 0.38 7.33 3.57 -1.98 -1.69 116.94 124.55 3gkl h PHE 492 Ca 0.00 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 3gkl h PHE 492 Cb 0.00 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.74 3gkl h PHE 492 CO 0.00 0.19 -0.18 0.22 -2.23 0.00 0.00 178.31 176.30 3gkl h ASP 493 N 0.00 -0.43 -1.14 0.41 1.82 -1.99 -2.49 116.42 112.60 3gkl h ASP 493 Ca -0.00 0.01 0.41 0.00 -0.39 0.00 0.00 57.03 57.06 3gkl h ASP 493 Cb 0.48 0.11 -0.15 0.00 0.68 0.00 0.00 39.33 40.44 3gkl h ASP 493 CO 0.02 -0.27 0.68 -0.78 -1.61 0.00 0.00 179.24 177.29 3gkl h ASP 494 N -0.59 0.33 -0.73 2.28 3.58 -1.91 0.84 116.42 120.22 3gkl h ASP 494 Ca -0.05 0.19 -0.03 0.00 0.42 0.00 0.00 57.03 57.56 3gkl h ASP 494 Cb 0.39 0.18 -0.03 0.00 1.72 0.00 0.00 39.33 41.59 3gkl h ASP 494 CO 0.09 -0.27 0.34 0.15 -2.88 0.00 0.00 179.24 176.66 3gkl h PHE 495 N 0.10 1.09 0.06 0.28 3.57 -1.11 -3.01 116.94 117.91 3gkl h PHE 495 Ca 0.82 -0.06 -0.28 0.00 3.53 0.00 0.00 57.97 61.98 3gkl h PHE 495 Cb 2.28 -0.34 0.02 0.00 2.79 0.00 0.00 35.95 40.71 3gkl h PHE 495 CO -0.01 0.80 -1.13 -0.09 -2.23 0.00 0.00 178.31 175.65 3gkl h ARG 496 N 1.07 0.64 -0.33 1.11 2.43 0.11 -1.59 114.38 117.82 3gkl h ARG 496 Ca 0.26 -0.77 0.06 0.00 -0.81 0.00 0.00 59.98 58.72 3gkl h ARG 496 Cb 0.14 0.24 -0.08 0.00 -0.42 0.00 0.00 29.97 29.84 3gkl h ARG 496 CO -0.03 1.34 -0.48 0.87 -1.51 0.00 0.00 179.97 180.16 3gkl h LYS 497 N 0.33 -0.39 -0.26 0.20 1.57 -1.38 -2.92 116.57 113.72 3gkl h LYS 497 Ca -0.15 0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.59 3gkl h LYS 497 Cb 1.79 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 34.18 3gkl h LYS 497 CO 0.22 -0.26 -0.14 0.87 -0.57 0.00 0.00 179.45 179.57 3gkl h LYS 498 N -0.41 0.43 -0.51 3.15 1.79 -1.45 -1.91 116.57 117.66 3gkl h LYS 498 Ca 0.10 -0.12 0.10 0.00 -2.18 0.00 0.00 60.65 58.55 3gkl h LYS 498 Cb 0.61 -0.05 -0.08 0.00 -1.58 0.00 0.00 32.23 31.13 3gkl h LYS 498 CO -0.54 0.57 0.01 0.35 -1.08 0.00 0.00 179.45 178.76 3gkl h PHE 499 N 0.40 -0.01 0.04 -1.35 3.57 -1.25 -1.57 116.94 116.77 3gkl h PHE 499 Ca 0.07 0.04 -0.23 0.00 3.53 0.00 0.00 57.97 61.38 3gkl h PHE 499 Cb 0.48 0.08 0.02 0.00 2.79 0.00 0.00 35.95 39.32 3gkl h PHE 499 CO 0.01 -0.10 -0.91 -1.49 -2.23 0.00 0.00 178.31 173.58 3gkl h TRP 500 N 0.13 0.84 -0.72 0.41 -0.00 -1.24 -2.23 115.95 113.14 3gkl h TRP 500 Ca 0.26 -0.49 0.10 0.00 -0.00 0.00 0.00 58.89 58.76 3gkl h TRP 500 Cb 0.39 -0.08 -0.11 0.00 -0.00 0.00 0.00 29.16 29.35 3gkl h TRP 500 CO -0.31 1.33 -0.31 0.39 -0.00 0.00 0.00 178.44 179.54 3gkl n GLU 501 N -4.00 -0.20 0.06 0.49 1.02 -0.77 -2.09 120.64 115.16 3gkl n GLU 501 Ca -0.12 1.11 -0.08 0.00 -0.02 0.00 0.00 57.16 58.05 3gkl n GLU 501 Cb 0.83 -1.64 0.05 0.00 -0.02 0.00 0.00 31.44 30.66 3gkl n GLU 501 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 3gkl h GLU 502 N 0.00 0.34 -0.91 3.49 4.39 -1.03 -2.66 114.58 118.20 3gkl h GLU 502 Ca 0.22 -0.27 0.16 0.00 0.34 0.00 0.00 59.36 59.82 3gkl h GLU 502 Cb 0.40 0.05 -0.10 0.00 -0.10 0.00 0.00 28.75 29.01 3gkl h GLU 502 CO -0.71 0.91 0.50 0.28 -1.16 0.00 0.00 179.01 178.83 3gkl h VAL 503 N 0.23 0.73 0.00 3.13 2.07 -0.85 -2.56 116.25 119.00 3gkl h VAL 503 Ca -0.02 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.26 3gkl h VAL 503 Cb 1.26 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 3gkl h VAL 503 CO 0.12 0.12 -0.19 0.77 0.02 0.00 0.00 177.57 178.41 3gkl h SER 504 N 0.68 0.00 0.33 0.57 4.64 -1.08 -3.04 113.55 115.66 3gkl h SER 504 Ca 0.50 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.82 3gkl h SER 504 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 3gkl h SER 504 CO -0.37 0.00 -0.28 0.29 -0.87 0.00 0.00 176.83 175.60 3gkl n LYS 505 N -2.99 0.62 -3.21 4.77 5.02 -0.99 -4.66 118.16 116.72 3gkl n LYS 505 Ca 0.03 -0.34 -0.40 0.00 -2.02 0.00 0.00 58.31 55.58 3gkl n LYS 505 Cb 0.53 -1.49 -0.07 0.00 -0.02 0.00 0.00 35.03 33.98 3gkl n LYS 505 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3gkl s ASP 506 N -2.62 6.51 0.66 4.39 -1.08 -1.07 -4.93 116.67 118.53 3gkl s ASP 506 Ca 0.22 0.61 0.37 0.00 -0.52 0.00 0.00 52.55 53.23 3gkl s ASP 506 Cb 0.19 -2.30 2.01 0.00 -1.46 0.00 0.00 42.92 41.36 3gkl s ASP 506 CO 0.55 -0.27 2.15 1.55 0.52 0.00 0.00 175.17 179.67 3gkl h PRO 507 N 7.80 0.00 -0.00 4.34 0.13 -1.89 -0.48 132.00 141.90 3gkl h PRO 507 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 3gkl h PRO 507 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 3gkl h PRO 507 CO 0.74 0.00 -0.80 0.39 -0.23 0.00 0.00 178.00 178.09 3gkl n GLU 508 N -3.07 0.87 -0.10 0.86 -0.58 -1.26 -3.86 120.64 113.50 3gkl n GLU 508 Ca -0.02 -0.18 -0.13 0.00 -0.42 0.00 0.00 57.16 56.41 3gkl n GLU 508 Cb 0.23 -1.40 -0.05 0.00 -0.57 0.00 0.00 31.44 29.66 3gkl n GLU 508 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3gkl n LEU 509 N -1.18 1.91 -0.17 -4.62 7.99 -0.90 -4.53 117.00 115.50 3gkl n LEU 509 Ca 0.04 0.39 0.17 0.00 -0.01 0.00 0.00 56.01 56.61 3gkl n LEU 509 Cb 0.32 -0.79 0.32 0.00 -0.11 0.00 0.00 43.42 43.15 3gkl n LEU 509 CO 0.36 -0.11 0.57 -1.54 -1.51 0.00 0.00 177.39 175.16 3gkl n SER 510 N -4.45 0.19 0.03 -1.43 3.41 -0.24 0.69 113.62 111.83 3gkl n SER 510 Ca -0.22 0.90 0.08 0.00 -0.26 0.00 0.00 58.87 59.38 3gkl n SER 510 Cb 0.55 -0.44 0.35 0.00 -0.26 0.00 0.00 64.21 64.42 3gkl n SER 510 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 3gkl n LYS 511 N -4.24 0.05 -0.24 4.33 2.85 -1.25 -2.35 118.16 117.31 3gkl n LYS 511 Ca 0.21 0.30 0.08 0.00 -1.05 0.00 0.00 58.31 57.84 3gkl n LYS 511 Cb 0.70 -1.60 0.21 0.00 -0.65 0.00 0.00 35.03 33.69 3gkl n LYS 511 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 3gkl n GLN 512 N -1.69 2.10 -3.99 -1.58 6.02 0.22 -4.86 117.38 113.60 3gkl n GLN 512 Ca 0.03 -1.70 -0.16 0.00 -0.01 0.00 0.00 57.00 55.17 3gkl n GLN 512 Cb 0.18 -1.37 -0.15 0.00 1.02 0.00 0.00 30.24 29.92 3gkl n GLN 512 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 3gkl s PHE 513 N -1.38 0.31 0.82 1.08 0.08 -0.99 -5.07 117.98 112.83 3gkl s PHE 513 Ca 0.32 -0.03 -0.16 0.00 0.12 0.00 0.00 56.93 57.17 3gkl s PHE 513 Cb 0.16 -0.31 -0.10 0.00 -0.57 0.00 0.00 43.02 42.21 3gkl s PHE 513 CO 0.21 -0.07 -0.16 -1.13 -0.10 0.00 0.00 175.22 173.97 3gkl n SER 514 N 3.60 -3.81 -0.12 1.36 3.41 -1.26 -4.73 113.62 112.08 3gkl n SER 514 Ca -0.20 0.40 -0.10 0.00 -0.26 0.00 0.00 58.87 58.70 3gkl n SER 514 Cb 0.54 -0.95 -0.02 0.00 -0.26 0.00 0.00 64.21 63.52 3gkl n SER 514 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 3gkl h ARG 515 N -0.73 0.61 -0.44 4.33 1.12 -1.97 -0.58 114.38 116.71 3gkl h ARG 515 Ca -0.44 -0.18 0.02 0.00 -1.11 0.00 0.00 59.98 58.27 3gkl h ARG 515 Cb 1.34 -0.06 -0.02 0.00 -0.01 0.00 0.00 29.97 31.22 3gkl h ARG 515 CO 0.33 0.70 0.29 -0.91 -3.11 0.00 0.00 179.97 177.27 3gkl h ASN 516 N 0.43 0.47 0.04 -3.80 -0.26 -1.98 0.34 115.58 110.82 3gkl h ASN 516 Ca 0.10 -0.01 -0.19 0.00 -0.56 0.00 0.00 56.30 55.64 3gkl h ASN 516 Cb 0.41 -0.11 -0.00 0.00 -1.06 0.00 0.00 38.32 37.55 3gkl h ASN 516 CO 0.01 0.33 -0.69 0.78 -1.06 0.00 0.00 177.43 176.81 3gkl h ASN 517 N 0.55 0.70 0.21 5.81 2.35 -1.77 -2.74 115.58 120.68 3gkl h ASN 517 Ca 0.17 -0.43 -0.06 0.00 -0.55 0.00 0.00 56.30 55.43 3gkl h ASN 517 Cb 0.00 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.16 3gkl h ASN 517 CO -0.04 1.19 -0.25 0.78 -1.65 0.00 0.00 177.43 177.46 3gkl h ASN 518 N 0.42 0.08 -0.08 5.81 -0.26 -0.84 -2.37 115.58 118.34 3gkl h ASN 518 Ca -0.02 -0.02 -0.07 0.00 -0.56 0.00 0.00 56.30 55.63 3gkl h ASN 518 Cb 1.28 -0.02 -0.01 0.00 -1.06 0.00 0.00 38.32 38.50 3gkl h ASN 518 CO 0.13 0.33 -0.14 -0.78 -1.06 0.00 0.00 177.43 175.91 3gkl h ASP 519 N 0.07 0.41 0.01 5.81 3.58 -0.22 -1.89 116.42 124.20 3gkl h ASP 519 Ca 0.01 -0.11 -0.00 0.00 0.42 0.00 0.00 57.03 57.35 3gkl h ASP 519 Cb 0.48 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.42 3gkl h ASP 519 CO 0.03 0.59 -0.00 0.03 -2.88 0.00 0.00 179.24 177.01 3gkl h ARG 520 N 0.40 -0.01 -0.82 0.28 3.08 -1.18 -3.32 114.38 112.81 3gkl h ARG 520 Ca 0.07 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.08 3gkl h ARG 520 Cb 0.49 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.50 3gkl h ARG 520 CO 0.03 0.39 0.36 0.52 -1.07 0.00 0.00 179.97 180.20 3gkl h MET 521 N -0.42 1.21 -1.13 0.04 2.86 -1.22 -1.49 114.93 114.78 3gkl h MET 521 Ca -0.00 -0.20 0.38 0.00 -2.06 0.00 0.00 59.70 57.82 3gkl h MET 521 Cb 0.41 -0.21 -0.14 0.00 0.06 0.00 0.00 31.60 31.72 3gkl h MET 521 CO 0.00 0.96 0.69 -0.22 1.06 0.00 0.00 176.91 179.39 3gkl h LYS 522 N 1.19 0.18 -0.53 1.72 3.64 -1.43 -1.51 116.57 119.81 3gkl h LYS 522 Ca 0.28 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 3gkl h LYS 522 Cb 0.17 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 3gkl h LYS 522 CO -0.03 0.12 0.00 1.33 -2.27 0.00 0.00 179.45 178.60 3gkl n VAL 523 N -4.91 2.51 -0.64 2.00 0.24 -0.82 -4.78 118.33 111.93 3gkl n VAL 523 Ca 0.34 -1.45 0.00 0.00 -2.04 0.00 0.00 64.34 61.19 3gkl n VAL 523 Cb 1.20 -0.19 0.00 0.00 -1.47 0.00 0.00 33.84 33.38 3gkl n VAL 523 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3gkl n GLY 524 N 0.51 0.67 3.84 7.63 0.00 -0.58 -5.00 105.19 112.27 3gkl n GLY 524 Ca 0.26 -0.06 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 3gkl n GLY 524 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gkl s LYS 525 N -0.43 3.89 0.46 1.61 1.02 -0.62 -4.18 119.74 121.48 3gkl s LYS 525 Ca 0.00 0.37 -0.22 0.00 0.02 0.00 0.00 55.97 56.14 3gkl s LYS 525 Cb 0.00 -3.15 -0.08 0.00 -0.52 0.00 0.00 37.83 34.08 3gkl s LYS 525 CO 0.00 0.65 1.05 0.00 -0.92 0.00 0.00 175.35 176.13 3gkl s ALA 526 N -1.18 2.94 0.35 5.17 0.00 -1.26 -2.70 121.76 125.08 3gkl s ALA 526 Ca 0.27 0.67 -0.28 0.00 0.00 0.00 0.00 51.96 52.62 3gkl s ALA 526 Cb -0.16 -3.27 -0.10 0.00 0.00 0.00 0.00 23.12 19.59 3gkl s ALA 526 CO 0.15 -0.32 1.33 -1.25 0.00 0.00 0.00 175.76 175.66 3gkl s PRO 527 N -2.96 4.27 0.37 0.00 0.04 -1.26 -4.69 135.00 130.77 3gkl s PRO 527 Ca 0.64 2.25 -0.26 0.00 0.04 0.00 0.00 61.00 63.68 3gkl s PRO 527 Cb -0.19 -3.01 -0.09 0.00 0.04 0.00 0.00 34.50 31.25 3gkl s PRO 527 CO 0.24 -0.28 1.11 0.15 0.04 0.00 0.00 177.00 178.26 3gkl s LYS 528 N -1.90 4.24 0.63 4.56 -0.14 -1.26 -1.22 119.74 124.66 3gkl s LYS 528 Ca 0.51 1.71 -0.11 0.00 -1.36 0.00 0.00 55.97 56.72 3gkl s LYS 528 Cb -0.40 -2.75 -0.02 0.00 -1.68 0.00 0.00 37.83 32.97 3gkl s LYS 528 CO 0.54 -0.12 1.03 0.95 -0.76 0.00 0.00 175.35 176.98 3gkl s THR 529 N -1.44 4.33 0.60 2.17 -4.23 -0.14 -4.81 115.64 112.12 3gkl s THR 529 Ca 0.54 0.69 -0.18 0.00 -1.18 0.00 0.00 61.69 61.55 3gkl s THR 529 Cb -0.28 -3.74 -0.05 0.00 1.34 0.00 0.00 72.50 69.77 3gkl s THR 529 CO 0.35 -0.95 0.92 0.54 -0.54 0.00 0.00 174.62 174.94 3gkl n ARG 530 N -2.79 0.85 -0.25 3.99 1.74 -1.26 -4.89 116.66 114.06 3gkl n ARG 530 Ca 0.06 0.33 0.02 0.00 -0.77 0.00 0.00 57.85 57.49 3gkl n ARG 530 Cb 0.55 -2.12 0.11 0.00 -1.02 0.00 0.00 32.46 29.98 3gkl n ARG 530 CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 3gkl h THR 531 N 0.44 0.31 0.00 0.55 1.35 -1.96 -1.29 112.91 112.32 3gkl h THR 531 Ca -0.48 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 3gkl h THR 531 Cb 1.37 0.27 0.00 0.00 -1.73 0.00 0.00 68.15 68.06 3gkl h THR 531 CO 0.50 0.01 0.00 0.00 -0.25 0.00 0.00 175.52 175.78 3gkl n GLN 532 N -5.42 0.07 -0.51 4.72 10.64 -1.26 -0.68 117.38 124.94 3gkl n GLN 532 Ca 0.11 0.45 0.08 0.00 -1.83 0.00 0.00 57.00 55.81 3gkl n GLN 532 Cb 0.40 -1.69 0.29 0.00 -0.86 0.00 0.00 30.24 28.39 3gkl n GLN 532 CO 0.00 0.00 0.00 -0.40 -1.83 0.00 0.00 177.06 174.83 3gkl n ASP 533 N -1.84 4.24 -4.77 2.61 5.75 -0.49 -4.98 116.55 117.08 3gkl n ASP 533 Ca 0.01 -2.63 -0.38 0.00 -0.01 0.00 0.00 54.79 51.78 3gkl n ASP 533 Cb 0.10 -0.51 -0.00 0.00 -1.03 0.00 0.00 41.12 39.67 3gkl n ASP 533 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3gkl s VAL 534 N -2.15 2.81 -0.09 2.12 1.01 0.15 -4.41 120.40 119.83 3gkl s VAL 534 Ca 0.43 0.65 -0.03 0.00 0.00 0.00 0.00 61.98 63.03 3gkl s VAL 534 Cb 0.31 -3.35 0.04 0.00 0.00 0.00 0.00 36.38 33.38 3gkl s VAL 534 CO 0.16 0.03 0.10 -0.55 0.00 0.00 0.00 175.10 174.84 3gkl s SER 535 N -1.08 1.38 1.59 3.32 0.15 -1.08 -4.90 113.70 113.08 3gkl s SER 535 Ca 0.62 -0.06 0.00 0.00 0.70 0.00 0.00 55.95 57.21 3gkl s SER 535 Cb -0.34 -0.06 0.00 0.00 -1.71 0.00 0.00 66.02 63.92 3gkl s SER 535 CO 0.41 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 175.19 3gkl n GLY 536 N 5.30 3.36 1.45 9.45 0.00 -1.26 -1.22 105.19 122.27 3gkl n GLY 536 Ca -0.04 -0.14 -0.08 0.00 0.00 0.00 0.00 46.02 45.76 3gkl n GLY 536 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3gkl n LYS 537 N 14.00 1.76 -3.88 1.61 5.02 -1.26 -4.76 118.16 130.65 3gkl n LYS 537 Ca 0.00 -1.31 -0.35 0.00 -2.02 0.00 0.00 58.31 54.64 3gkl n LYS 537 Cb 0.00 -1.57 -0.13 0.00 -0.02 0.00 0.00 35.03 33.31 3gkl n LYS 537 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3gkl s ARG 538 N -1.48 2.10 0.00 1.97 0.52 -0.36 -4.93 118.95 116.76 3gkl s ARG 538 Ca 0.24 -1.59 0.00 0.00 -0.52 0.00 0.00 55.73 53.87 3gkl s ARG 538 Cb 0.20 -3.33 0.00 0.00 0.52 0.00 0.00 34.95 32.34 3gkl s ARG 538 CO 0.05 -0.85 0.00 0.25 0.02 0.00 0.00 175.30 174.78 3gkl n THR 539 N 4.54 0.00 -2.63 0.02 -2.24 -1.26 -2.64 114.28 110.07 3gkl n THR 539 Ca -0.06 -0.09 -0.26 0.00 -2.27 0.00 0.00 64.05 61.36 3gkl n THR 539 Cb 0.42 0.52 0.01 0.00 -2.10 0.00 0.00 70.33 69.18 3gkl n THR 539 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3gkl s SER 540 N -1.07 5.95 0.61 3.42 0.01 -1.26 -0.96 113.70 120.39 3gkl s SER 540 Ca 0.00 0.74 -0.18 0.00 1.31 0.00 0.00 55.95 57.81 3gkl s SER 540 Cb 0.00 -1.93 -0.03 0.00 0.21 0.00 0.00 66.02 64.27 3gkl s SER 540 CO 0.00 -0.76 1.20 -0.36 0.41 0.00 0.00 173.24 173.73 3gkl s PHE 541 N -2.79 2.37 0.05 2.43 0.08 -0.35 -4.66 117.98 115.11 3gkl s PHE 541 Ca 0.50 1.52 0.08 0.00 0.12 0.00 0.00 56.93 59.14 3gkl s PHE 541 Cb -0.10 -3.47 -0.03 0.00 -0.57 0.00 0.00 43.02 38.84 3gkl s PHE 541 CO 0.44 -2.23 -0.19 -1.21 -0.10 0.00 0.00 175.22 171.92 3gkl s GLU 542 N -3.40 2.00 -0.22 0.44 2.02 0.32 -4.80 118.70 115.06 3gkl s GLU 542 Ca 0.77 -1.02 -0.19 0.00 0.02 0.00 0.00 54.97 54.55 3gkl s GLU 542 Cb -0.30 -2.15 -0.03 0.00 0.10 0.00 0.00 34.13 31.75 3gkl s GLU 542 CO 0.34 0.53 0.54 -0.51 0.02 0.00 0.00 175.26 176.18 3gkl s LEU 543 N -1.49 4.11 -0.12 1.80 1.43 -1.26 -0.14 118.68 123.02 3gkl s LEU 543 Ca 0.15 0.65 -0.06 0.00 -1.03 0.00 0.00 54.13 53.84 3gkl s LEU 543 Cb -0.10 -2.73 -0.04 0.00 0.03 0.00 0.00 46.19 43.35 3gkl s LEU 543 CO 0.05 -0.23 0.10 -2.28 0.23 0.00 0.00 176.35 174.22 3gkl s HIS 544 N 1.91 3.47 -0.40 0.29 5.65 -0.57 -4.96 115.29 120.69 3gkl s HIS 544 Ca 0.24 0.42 -0.00 0.00 0.25 0.00 0.00 55.06 55.97 3gkl s HIS 544 Cb -0.15 -1.92 0.11 0.00 -1.18 0.00 0.00 32.58 29.44 3gkl s HIS 544 CO 0.09 0.63 0.17 0.00 -0.65 0.00 0.00 174.74 174.98 3gkl s ALA 545 N -0.89 3.10 -1.48 1.58 0.00 -1.26 -2.12 121.76 120.69 3gkl s ALA 545 Ca 0.14 -2.61 0.05 0.00 0.00 0.00 0.00 51.96 49.54 3gkl s ALA 545 Cb -0.12 -2.27 0.25 0.00 0.00 0.00 0.00 23.12 20.98 3gkl s ALA 545 CO 0.03 -1.79 0.97 0.39 0.00 0.00 0.00 175.76 175.36 3gkl n GLU 546 N 4.36 0.08 0.00 0.00 -0.58 -0.89 -5.04 120.64 118.57 3gkl n GLU 546 Ca 0.01 0.22 0.00 0.00 -0.42 0.00 0.00 57.16 56.97 3gkl n GLU 546 Cb 0.41 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.78 3gkl n GLU 546 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 3gkl n LYS 547 N -1.26 0.00 -0.59 3.49 2.85 -1.26 -5.12 118.16 116.27 3gkl n LYS 547 Ca 0.02 0.00 -0.20 0.00 -1.05 0.00 0.00 58.31 57.09 3gkl n LYS 547 Cb 0.04 0.00 0.01 0.00 -0.65 0.00 0.00 35.03 34.43 3gkl n LYS 547 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 177.40 178.90 3gkl n VAL 555 N -1.63 0.00 -2.72 0.58 3.14 -1.26 -5.18 118.33 111.27 3gkl n VAL 555 Ca 0.00 -0.26 -0.43 0.00 -2.96 0.00 0.00 64.34 60.69 3gkl n VAL 555 Cb 0.00 0.00 -0.01 0.00 -1.06 0.00 0.00 33.84 32.77 3gkl n VAL 555 CO 0.00 0.00 0.00 -0.31 -6.46 0.00 0.00 176.83 170.06 3gkl s TYR 556 N -1.06 2.93 -0.79 1.45 4.12 -0.31 -4.84 117.35 118.85 3gkl s TYR 556 Ca 0.25 -1.48 -0.25 0.00 0.02 0.00 0.00 57.07 55.61 3gkl s TYR 556 Cb -0.17 -4.56 -0.06 0.00 -1.52 0.00 0.00 41.96 35.65 3gkl s TYR 556 CO 0.40 -1.70 2.04 0.34 0.02 0.00 0.00 175.55 176.65 3gkl s ASP 557 N 4.02 4.90 0.00 2.29 2.15 -1.26 -2.25 116.67 126.52 3gkl s ASP 557 Ca 0.45 -0.19 0.03 0.00 0.43 0.00 0.00 52.55 53.27 3gkl s ASP 557 Cb -0.00 -2.55 0.17 0.00 -0.30 0.00 0.00 42.92 40.24 3gkl s ASP 557 CO -0.02 -2.87 0.96 0.23 -0.17 0.00 0.00 175.17 173.30 3gkl n MET 558 N 8.94 0.04 0.07 4.34 2.81 0.40 0.37 117.12 134.09 3gkl n MET 558 Ca 0.37 0.28 0.12 0.00 -1.81 0.00 0.00 57.70 56.65 3gkl n MET 558 Cb 0.48 -1.50 0.09 0.00 -0.71 0.00 0.00 33.22 31.58 3gkl n MET 558 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 3gkl h ASP 559 N 0.00 0.00 -0.37 7.83 3.32 -1.85 -3.29 116.42 122.06 3gkl h ASP 559 Ca 0.00 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 56.88 3gkl h ASP 559 Cb 0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.59 3gkl h ASP 559 CO 0.00 0.09 0.00 0.59 -1.72 0.00 0.00 179.24 178.20 3gkl n ASN 560 N -2.27 3.67 -4.54 6.45 4.13 0.16 -4.97 115.26 117.88 3gkl n ASN 560 Ca 0.02 -2.48 -0.31 0.00 1.68 0.00 0.00 54.58 53.49 3gkl n ASN 560 Cb 0.47 -0.42 -0.11 0.00 -1.54 0.00 0.00 39.78 38.18 3gkl n ASN 560 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3gkl s ILE 561 N -1.87 3.29 0.33 2.41 1.01 -1.15 -2.09 121.20 123.12 3gkl s ILE 561 Ca 0.36 -0.99 -0.01 0.00 0.00 0.00 0.00 60.65 60.01 3gkl s ILE 561 Cb 0.25 -2.43 -0.01 0.00 0.01 0.00 0.00 42.46 40.28 3gkl s ILE 561 CO 0.15 0.34 0.42 -0.94 0.00 0.00 0.00 174.94 174.91 3gkl s SER 562 N -1.51 0.96 -0.18 3.58 1.04 -0.90 -4.05 113.70 112.63 3gkl s SER 562 Ca 0.17 -1.50 0.00 0.00 0.48 0.00 0.00 55.95 55.10 3gkl s SER 562 Cb -0.11 0.62 0.01 0.00 0.10 0.00 0.00 66.02 66.64 3gkl s SER 562 CO 0.07 -1.22 -0.16 -0.69 0.98 0.00 0.00 173.24 172.23 3gkl s VAL 563 N -3.24 2.49 0.06 5.02 1.01 -0.00 -1.51 120.40 124.22 3gkl s VAL 563 Ca 0.32 -0.81 0.05 0.00 0.00 0.00 0.00 61.98 61.55 3gkl s VAL 563 Cb 0.01 -2.06 -0.03 0.00 0.00 0.00 0.00 36.38 34.30 3gkl s VAL 563 CO 0.21 0.51 -0.14 0.68 0.00 0.00 0.00 175.10 176.36 3gkl s VAL 564 N 1.13 1.09 0.96 2.92 -7.23 0.81 -2.12 120.40 117.96 3gkl s VAL 564 Ca 0.01 -1.17 -0.12 0.00 -1.81 0.00 0.00 61.98 58.89 3gkl s VAL 564 Cb -0.14 -1.03 0.16 0.00 0.56 0.00 0.00 36.38 35.93 3gkl s VAL 564 CO -0.06 -0.13 1.09 0.42 -0.31 0.00 0.00 175.10 176.11 3gkl s THR 565 N -1.10 2.38 -0.08 5.32 -4.23 -0.94 0.12 115.64 117.11 3gkl s THR 565 Ca -0.01 0.12 -0.25 0.00 -1.18 0.00 0.00 61.69 60.38 3gkl s THR 565 Cb -0.09 -2.56 -0.29 0.00 1.34 0.00 0.00 72.50 70.90 3gkl s THR 565 CO 0.02 -0.16 0.86 -0.65 -0.54 0.00 0.00 174.62 174.15 3gkl h PRO 566 N -1.77 0.18 -0.29 3.99 0.11 -1.83 0.39 132.00 132.77 3gkl h PRO 566 Ca -0.52 -0.30 0.09 0.00 0.11 0.00 0.00 66.00 65.37 3gkl h PRO 566 Cb 1.30 0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.51 3gkl h PRO 566 CO 0.55 1.13 0.33 0.87 -0.21 0.00 0.00 178.00 180.68 3gkl h LYS 567 N -0.61 0.00 0.10 1.05 1.57 -1.91 0.44 116.57 117.22 3gkl h LYS 567 Ca -0.08 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.42 3gkl h LYS 567 Cb 1.36 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.66 3gkl h LYS 567 CO 0.09 0.00 -1.43 -0.09 -0.57 0.00 0.00 179.45 177.44 3gkl h ARG 568 N 0.00 0.22 -0.63 3.15 9.65 -1.72 -3.01 114.38 122.04 3gkl h ARG 568 Ca 0.14 -0.37 0.10 0.00 -1.10 0.00 0.00 59.98 58.75 3gkl h ARG 568 Cb 0.81 0.14 -0.11 0.00 -1.39 0.00 0.00 29.97 29.41 3gkl h ARG 568 CO -0.00 1.18 -0.40 1.25 2.80 0.00 0.00 179.97 184.80 3gkl h HIS 569 N -0.35 -1.15 -0.17 2.20 2.76 0.45 -2.31 115.15 116.59 3gkl h HIS 569 Ca -0.32 0.08 0.02 0.00 -2.20 0.00 0.00 60.37 57.95 3gkl h HIS 569 Cb 1.73 0.59 -0.02 0.00 1.55 0.00 0.00 27.41 31.26 3gkl h HIS 569 CO 0.12 -0.41 -0.12 0.82 -1.30 0.00 0.00 177.93 177.05 3gkl h ILE 570 N -0.18 0.00 -0.95 6.26 1.08 -0.25 -2.43 117.51 121.05 3gkl h ILE 570 Ca 0.21 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.78 3gkl h ILE 570 Cb 0.56 0.00 -0.13 0.00 -3.07 0.00 0.00 36.82 34.18 3gkl h ILE 570 CO -0.72 0.00 -0.54 0.44 -0.69 0.00 0.00 178.15 176.64 3gkl h ASP 571 N -0.02 -1.98 -0.54 1.72 3.45 -1.35 -2.52 116.42 115.17 3gkl h ASP 571 Ca 0.03 0.32 0.05 0.00 0.43 0.00 0.00 57.03 57.85 3gkl h ASP 571 Cb 0.09 0.90 -0.07 0.00 -0.56 0.00 0.00 39.33 39.70 3gkl h ASP 571 CO -0.17 -0.26 -0.32 -0.38 -1.57 0.00 0.00 179.24 176.54 3gkl n ILE 572 N -5.31 -0.37 0.36 0.35 5.41 -0.89 -0.12 119.36 118.78 3gkl n ILE 572 Ca 0.03 1.92 0.14 0.00 1.00 0.00 0.00 62.75 65.84 3gkl n ILE 572 Cb 0.30 -2.43 0.57 0.00 -0.71 0.00 0.00 39.64 37.36 3gkl n ILE 572 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 176.55 177.00 3gkl h HIS 573 N 0.00 0.00 -0.58 1.39 3.86 -1.22 0.85 115.15 119.44 3gkl h HIS 573 Ca 0.09 0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 59.11 3gkl h HIS 573 Cb 0.22 0.00 -0.11 0.00 1.06 0.00 0.00 27.41 28.58 3gkl h HIS 573 CO -0.94 0.00 0.23 2.89 0.86 0.00 0.00 177.93 180.97 3gkl n ARG 574 N -2.52 3.02 -4.30 2.45 1.85 0.05 -4.96 116.66 112.25 3gkl n ARG 574 Ca 0.01 -2.33 -0.33 0.00 -1.00 0.00 0.00 57.85 54.20 3gkl n ARG 574 Cb 0.25 -1.99 -0.07 0.00 -1.05 0.00 0.00 32.46 29.59 3gkl n ARG 574 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3gkl n GLY 575 N -0.09 -0.23 0.19 2.89 0.00 0.29 -4.98 105.19 103.26 3gkl n GLY 575 Ca 0.32 0.15 0.02 0.00 0.00 0.00 0.00 46.02 46.51 3gkl n GLY 575 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60