#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ksa s LEU 416 N 0.00 2.79 -0.52 -5.58 2.96 -1.26 -4.67 118.68 112.40 3ksa s LEU 416 Ca 0.00 -1.02 -0.01 0.00 -0.22 0.00 0.00 54.13 52.88 3ksa s LEU 416 Cb 0.00 -1.20 0.14 0.00 0.50 0.00 0.00 46.19 45.62 3ksa s LEU 416 CO 0.00 -0.09 0.31 -0.89 -1.32 0.00 0.00 176.35 174.36 3ksa s THR 417 N -2.52 3.27 0.63 3.68 2.01 -0.32 -5.00 115.64 117.40 3ksa s THR 417 Ca 0.32 -2.72 -0.09 0.00 0.31 0.00 0.00 61.69 59.51 3ksa s THR 417 Cb -0.02 -3.20 -0.00 0.00 0.01 0.00 0.00 72.50 69.29 3ksa s THR 417 CO 0.17 -0.79 1.00 -2.84 -0.69 0.00 0.00 174.62 171.47 3ksa s PRO 418 N 0.31 3.07 0.54 4.92 0.02 -1.26 -0.84 135.00 141.76 3ksa s PRO 418 Ca 0.14 0.35 -0.10 0.00 0.02 0.00 0.00 61.00 61.41 3ksa s PRO 418 Cb -0.22 -2.14 -0.05 0.00 0.02 0.00 0.00 34.50 32.11 3ksa s PRO 418 CO -0.03 -0.77 0.92 0.00 -0.33 0.00 0.00 177.00 176.79 3ksa s ALA 419 N -3.16 3.21 0.02 -1.55 0.00 -1.26 -4.83 121.76 114.19 3ksa s ALA 419 Ca 0.55 -0.17 -0.10 0.00 0.00 0.00 0.00 51.96 52.24 3ksa s ALA 419 Cb -0.11 -2.91 -0.05 0.00 0.00 0.00 0.00 23.12 20.05 3ksa s ALA 419 CO 0.50 -0.44 1.16 0.37 0.00 0.00 0.00 175.76 177.35 3ksa h GLN 420 N 0.24 -0.30 -6.81 0.00 5.75 -0.78 -3.42 115.11 109.78 3ksa h GLN 420 Ca -0.46 0.02 -0.50 0.00 -0.15 0.00 0.00 58.65 57.56 3ksa h GLN 420 Cb 1.19 0.07 0.02 0.00 1.07 0.00 0.00 27.48 29.83 3ksa h GLN 420 CO 0.62 -0.20 0.47 -1.12 -2.65 0.00 0.00 178.83 175.95 3ksa s SER 421 N -2.81 7.24 -0.73 -0.69 0.01 -1.19 -5.00 113.70 110.53 3ksa s SER 421 Ca -0.05 2.26 -0.12 0.00 1.31 0.00 0.00 55.95 59.35 3ksa s SER 421 Cb 0.01 -2.63 0.19 0.00 0.21 0.00 0.00 66.02 63.81 3ksa s SER 421 CO 0.17 -0.16 0.65 -0.54 0.41 0.00 0.00 173.24 173.77 3ksa s LYS 422 N -1.49 3.27 -0.38 12.44 3.01 -1.26 -4.89 119.74 130.43 3ksa s LYS 422 Ca 0.45 -2.34 0.01 0.00 -1.01 0.00 0.00 55.97 53.09 3ksa s LYS 422 Cb -0.32 -4.26 0.15 0.00 -1.01 0.00 0.00 37.83 32.40 3ksa s LYS 422 CO 0.40 -1.27 0.25 1.21 0.51 0.00 0.00 175.35 176.46 3ksa s ASN 423 N 2.11 2.65 0.00 2.83 2.47 -1.26 -5.00 114.94 118.74 3ksa s ASN 423 Ca 0.15 -2.48 0.00 0.00 0.42 0.00 0.00 52.86 50.95 3ksa s ASN 423 Cb -0.15 -0.48 0.00 0.00 -1.45 0.00 0.00 41.25 39.16 3ksa s ASN 423 CO -0.06 -0.27 0.05 -2.65 -3.72 0.00 0.00 177.10 170.46 3ksa n PRO 424 N 3.65 0.00 -0.07 0.43 -0.02 -1.26 -2.42 135.00 135.32 3ksa n PRO 424 Ca 0.17 0.00 -0.21 0.00 -2.02 0.00 0.00 63.50 61.43 3ksa n PRO 424 Cb 0.40 -1.06 -0.13 0.00 -0.02 0.00 0.00 33.50 32.69 3ksa n PRO 424 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ksa n ALA 425 N -0.52 1.07 -3.37 3.55 0.00 -1.26 -3.82 120.51 116.15 3ksa n ALA 425 Ca 0.00 -0.79 -0.26 0.00 0.00 0.00 0.00 53.44 52.39 3ksa n ALA 425 Cb 0.00 -0.40 -0.10 0.00 0.00 0.00 0.00 19.45 18.96 3ksa n ALA 425 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3ksa s LYS 426 N -2.51 0.89 -0.20 0.00 2.20 -1.01 -4.65 119.74 114.46 3ksa s LYS 426 Ca -0.29 -2.05 -0.15 0.00 -0.36 0.00 0.00 55.97 53.12 3ksa s LYS 426 Cb 0.08 -1.37 0.06 0.00 -1.51 0.00 0.00 37.83 35.09 3ksa s LYS 426 CO 0.66 -1.38 0.51 -0.80 -0.36 0.00 0.00 175.35 173.98 3ksa s ASN 427 N 0.12 -0.59 0.03 1.43 0.01 -1.24 -4.78 114.94 109.91 3ksa s ASN 427 Ca 0.32 1.07 0.06 0.00 -0.71 0.00 0.00 52.86 53.60 3ksa s ASN 427 Cb 0.03 1.02 -0.03 0.00 0.41 0.00 0.00 41.25 42.68 3ksa s ASN 427 CO -0.19 -0.19 -0.15 -1.61 -1.51 0.00 0.00 177.10 173.45 3ksa s GLU 428 N 0.81 2.22 -0.23 -0.60 2.02 -1.03 -2.43 118.70 119.46 3ksa s GLU 428 Ca -0.04 -0.90 -0.03 0.00 0.02 0.00 0.00 54.97 54.01 3ksa s GLU 428 Cb -0.05 -2.28 0.00 0.00 0.10 0.00 0.00 34.13 31.90 3ksa s GLU 428 CO -0.06 0.56 -0.05 -1.17 0.02 0.00 0.00 175.26 174.55 3ksa s LEU 429 N -1.42 2.97 -0.30 1.80 0.20 -0.34 -0.45 118.68 121.14 3ksa s LEU 429 Ca 0.15 -0.55 -0.09 0.00 0.69 0.00 0.00 54.13 54.33 3ksa s LEU 429 Cb -0.11 -1.71 -0.02 0.00 -0.43 0.00 0.00 46.19 43.93 3ksa s LEU 429 CO 0.06 -0.06 0.14 -0.31 -0.29 0.00 0.00 176.35 175.90 3ksa s TYR 430 N 1.43 3.17 -0.20 5.38 2.02 0.19 -0.54 117.35 128.79 3ksa s TYR 430 Ca 0.04 -0.46 -0.10 0.00 -0.37 0.00 0.00 57.07 56.17 3ksa s TYR 430 Cb -0.15 -2.34 -0.05 0.00 -0.40 0.00 0.00 41.96 39.02 3ksa s TYR 430 CO -0.04 -0.41 0.15 -0.51 -1.57 0.00 0.00 175.55 173.18 3ksa s LEU 431 N 1.63 4.21 0.18 -1.29 1.43 0.16 -1.02 118.68 123.98 3ksa s LEU 431 Ca 0.05 0.25 0.04 0.00 -1.03 0.00 0.00 54.13 53.44 3ksa s LEU 431 Cb -0.17 -2.12 -0.05 0.00 0.03 0.00 0.00 46.19 43.88 3ksa s LEU 431 CO 0.06 0.16 -0.06 -0.69 0.23 0.00 0.00 176.35 176.06 3ksa s VAL 432 N 0.43 1.06 -0.78 -1.59 1.01 -0.86 -1.00 120.40 118.66 3ksa s VAL 432 Ca 0.09 -2.04 0.25 0.00 0.00 0.00 0.00 61.98 60.28 3ksa s VAL 432 Cb -0.11 -2.03 0.06 0.00 0.00 0.00 0.00 36.38 34.29 3ksa s VAL 432 CO -0.01 -0.58 1.41 1.21 0.00 0.00 0.00 175.10 177.12 3ksa n GLU 433 N -0.27 0.18 0.00 2.72 2.13 -1.26 -1.13 120.64 123.02 3ksa n GLU 433 Ca -0.08 0.06 0.00 0.00 0.66 0.00 0.00 57.16 57.80 3ksa n GLU 433 Cb 0.62 -1.62 0.00 0.00 0.27 0.00 0.00 31.44 30.71 3ksa n GLU 433 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3ksa n GLY 434 N 1.40 -0.99 0.25 8.31 0.00 -1.14 -2.40 105.19 110.63 3ksa n GLY 434 Ca 0.04 -1.04 -0.11 0.00 0.00 0.00 0.00 46.02 44.92 3ksa n GLY 434 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3ksa h ASP 435 N 0.00 0.86 -0.20 1.61 3.32 -1.93 0.13 116.42 120.20 3ksa h ASP 435 Ca 0.00 -0.34 0.02 0.00 0.02 0.00 0.00 57.03 56.73 3ksa h ASP 435 Cb 0.00 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.29 3ksa h ASP 435 CO 0.00 1.01 0.07 -1.28 -1.72 0.00 0.00 179.24 177.32 3ksa h SER 436 N 0.71 0.09 -0.27 6.45 0.87 -1.98 -1.03 113.55 118.39 3ksa h SER 436 Ca 0.12 0.02 -0.07 0.00 -1.23 0.00 0.00 61.79 60.63 3ksa h SER 436 Cb 0.61 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.55 3ksa h SER 436 CO 0.04 0.08 -0.07 0.00 -0.53 0.00 0.00 176.83 176.35 3ksa h ALA 437 N 1.12 1.16 -0.94 6.23 0.00 -1.89 -2.87 119.26 122.08 3ksa h ALA 437 Ca 0.09 -0.27 0.12 0.00 0.00 0.00 0.00 54.91 54.85 3ksa h ALA 437 Cb 0.05 -0.16 -0.09 0.00 0.00 0.00 0.00 17.79 17.59 3ksa h ALA 437 CO -0.09 0.53 0.57 0.78 0.00 0.00 0.00 179.25 181.04 3ksa h GLY 438 N 0.95 1.54 0.88 0.00 0.00 0.31 -0.27 103.07 106.48 3ksa h GLY 438 Ca 0.11 -0.37 -0.00 0.00 0.00 0.00 0.00 47.33 47.07 3ksa h GLY 438 CO 0.03 0.10 -0.14 -1.33 0.00 0.00 0.00 176.54 175.20 3ksa h GLY 439 N 0.87 -0.32 0.51 4.60 0.00 -1.00 0.20 103.07 107.94 3ksa h GLY 439 Ca 0.48 0.15 0.08 0.00 0.00 0.00 0.00 47.33 48.04 3ksa h GLY 439 CO -0.29 -0.14 0.26 1.76 0.00 0.00 0.00 176.54 178.13 3ksa h SER 440 N -0.32 0.31 0.90 0.19 0.02 -1.34 -0.48 113.55 112.83 3ksa h SER 440 Ca -0.01 0.06 -0.04 0.00 -0.84 0.00 0.00 61.79 60.96 3ksa h SER 440 Cb 0.29 0.01 0.01 0.00 0.14 0.00 0.00 62.40 62.85 3ksa h SER 440 CO -0.01 0.20 -0.43 0.00 -1.14 0.00 0.00 176.83 175.45 3ksa h ALA 441 N 1.37 -1.21 -0.82 3.77 0.00 -0.68 -2.15 119.26 119.55 3ksa h ALA 441 Ca 0.29 -0.27 0.16 0.00 0.00 0.00 0.00 54.91 55.10 3ksa h ALA 441 Cb 0.30 0.47 -0.10 0.00 0.00 0.00 0.00 17.79 18.45 3ksa h ALA 441 CO -0.25 -1.17 0.35 1.57 0.00 0.00 0.00 179.25 179.75 3ksa h LYS 442 N -1.22 0.46 0.46 0.00 2.10 -0.24 -2.95 116.57 115.19 3ksa h LYS 442 Ca -0.12 -0.03 -0.02 0.00 -2.00 0.00 0.00 60.65 58.48 3ksa h LYS 442 Cb 0.93 -0.10 0.00 0.00 -0.90 0.00 0.00 32.23 32.16 3ksa h LYS 442 CO 0.20 0.30 -0.22 1.96 -2.00 0.00 0.00 179.45 179.70 3ksa h GLN 443 N 0.47 -0.60 -6.27 0.07 4.20 -0.97 -3.38 115.11 108.64 3ksa h GLN 443 Ca 0.46 0.04 -0.58 0.00 0.06 0.00 0.00 58.65 58.63 3ksa h GLN 443 Cb 0.74 0.14 -0.10 0.00 0.30 0.00 0.00 27.48 28.57 3ksa h GLN 443 CO -0.43 -0.40 0.77 0.20 -0.67 0.00 0.00 178.83 178.30 3ksa s GLY 444 N -1.93 1.29 0.00 3.46 0.00 -0.82 -4.90 107.32 104.42 3ksa s GLY 444 Ca -0.09 -0.95 0.00 0.00 0.00 0.00 0.00 44.72 43.68 3ksa s GLY 444 CO 0.27 2.27 0.00 -2.13 0.00 0.00 0.00 173.10 173.51 3ksa n ARG 445 N 7.86 0.00 -3.16 2.90 0.63 -1.26 -4.64 116.66 118.99 3ksa n ARG 445 Ca 0.06 0.00 -0.44 0.00 -0.92 0.00 0.00 57.85 56.54 3ksa n ARG 445 Cb 0.48 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 33.34 3ksa n ARG 445 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 3ksa s ASP 446 N 0.00 6.19 0.00 6.15 3.68 -1.26 -4.93 116.67 126.50 3ksa s ASP 446 Ca 0.00 -1.28 0.13 0.00 2.13 0.00 0.00 52.55 53.53 3ksa s ASP 446 Cb 0.00 -2.28 0.76 0.00 -1.45 0.00 0.00 42.92 39.95 3ksa s ASP 446 CO 0.00 -0.98 1.28 -2.11 0.13 0.00 0.00 175.17 173.48 3ksa n ARG 447 N 6.10 0.34 -0.06 4.34 1.85 -1.26 -2.74 116.66 125.24 3ksa n ARG 447 Ca -0.09 0.06 -0.12 0.00 -1.00 0.00 0.00 57.85 56.69 3ksa n ARG 447 Cb 0.43 -1.50 -0.06 0.00 -1.05 0.00 0.00 32.46 30.28 3ksa n ARG 447 CO 0.00 0.00 0.00 0.87 -0.01 0.00 0.00 177.63 178.49 3ksa h LYS 448 N 0.00 0.34 -1.05 2.89 1.79 -1.95 0.14 116.57 118.73 3ksa h LYS 448 Ca 0.00 -0.15 -0.36 0.00 -2.18 0.00 0.00 60.65 57.96 3ksa h LYS 448 Cb 0.04 -0.01 -0.36 0.00 -1.58 0.00 0.00 32.23 30.33 3ksa h LYS 448 CO 0.00 0.66 -1.07 1.97 -1.08 0.00 0.00 179.45 179.93 3ksa n PHE 449 N -4.62 0.37 -3.63 -1.35 -1.74 -1.11 -3.17 117.46 102.22 3ksa n PHE 449 Ca -0.06 -2.87 -0.12 0.00 -0.56 0.00 0.00 57.45 53.84 3ksa n PHE 449 Cb 0.31 -0.07 -0.12 0.00 1.52 0.00 0.00 39.48 41.12 3ksa n PHE 449 CO 0.00 0.00 0.00 -0.65 -0.56 0.00 0.00 176.76 175.55 3ksa s GLN 450 N -2.46 0.21 0.16 3.97 -0.21 -1.12 -2.46 119.66 117.76 3ksa s GLN 450 Ca 0.29 0.78 0.08 0.00 0.02 0.00 0.00 55.36 56.52 3ksa s GLN 450 Cb 0.42 -0.04 -0.04 0.00 1.00 0.00 0.00 33.01 34.36 3ksa s GLN 450 CO -0.00 -0.32 -0.04 0.00 -2.12 0.00 0.00 175.29 172.80 3ksa s ALA 451 N 2.47 3.10 -0.06 6.09 0.00 0.40 -4.12 121.76 129.65 3ksa s ALA 451 Ca 0.02 -1.37 -0.00 0.00 0.00 0.00 0.00 51.96 50.60 3ksa s ALA 451 Cb -0.12 -0.91 0.03 0.00 0.00 0.00 0.00 23.12 22.11 3ksa s ALA 451 CO -0.10 0.51 -0.02 0.42 0.00 0.00 0.00 175.76 176.57 3ksa s ILE 452 N -1.63 0.43 -0.21 0.00 1.01 -0.02 -0.64 121.20 120.13 3ksa s ILE 452 Ca 0.26 0.01 -0.01 0.00 0.00 0.00 0.00 60.65 60.90 3ksa s ILE 452 Cb -0.09 -0.52 0.06 0.00 0.01 0.00 0.00 42.46 41.92 3ksa s ILE 452 CO 0.17 0.23 -0.00 -0.22 0.00 0.00 0.00 174.94 175.12 3ksa s LEU 453 N 1.41 1.79 0.34 2.97 1.98 -0.19 -1.17 118.68 125.82 3ksa s LEU 453 Ca -0.04 -0.99 -0.26 0.00 -2.89 0.00 0.00 54.13 49.95 3ksa s LEU 453 Cb -0.13 -0.85 -0.09 0.00 0.66 0.00 0.00 46.19 45.78 3ksa s LEU 453 CO -0.03 -0.28 1.04 -2.84 -1.89 0.00 0.00 176.35 172.35 3ksa s PRO 454 N 1.66 4.41 0.21 0.98 0.02 -1.26 -2.03 135.00 138.99 3ksa s PRO 454 Ca -0.03 1.55 0.09 0.00 0.02 0.00 0.00 61.00 62.64 3ksa s PRO 454 Cb -0.18 -2.80 -0.04 0.00 0.02 0.00 0.00 34.50 31.50 3ksa s PRO 454 CO -0.08 0.07 -0.09 -0.51 -0.33 0.00 0.00 177.00 176.06 3ksa s LEU 455 N -2.13 2.96 -1.18 -5.54 1.43 -0.28 -4.90 118.68 109.03 3ksa s LEU 455 Ca 0.52 -0.65 -0.11 0.00 -1.03 0.00 0.00 54.13 52.86 3ksa s LEU 455 Cb -0.24 -1.59 0.22 0.00 0.03 0.00 0.00 46.19 44.60 3ksa s LEU 455 CO 0.31 0.07 1.41 -2.11 0.23 0.00 0.00 176.35 176.27 3ksa n ARG 456 N -0.23 3.58 0.00 1.70 -4.01 -1.26 -2.87 116.66 113.57 3ksa n ARG 456 Ca -0.09 -4.06 0.00 0.00 -1.04 0.00 0.00 57.85 52.66 3ksa n ARG 456 Cb 0.57 -2.82 0.00 0.00 -3.04 0.00 0.00 32.46 27.16 3ksa n ARG 456 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 3ksa n GLY 457 N 3.18 0.69 3.69 2.89 0.00 -1.01 -4.80 105.19 109.83 3ksa n GLY 457 Ca 0.32 -0.80 -0.45 0.00 0.00 0.00 0.00 46.02 45.10 3ksa n GLY 457 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ksa n LYS 458 N 3.66 2.46 -3.14 1.61 5.02 -1.26 -4.97 118.16 121.55 3ksa n LYS 458 Ca 0.00 0.89 -0.34 0.00 -2.02 0.00 0.00 58.31 56.84 3ksa n LYS 458 Cb 0.00 -2.72 -0.06 0.00 -0.02 0.00 0.00 35.03 32.22 3ksa n LYS 458 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3ksa s VAL 459 N 1.97 4.65 0.11 -0.18 1.01 -1.26 -5.00 120.40 121.70 3ksa s VAL 459 Ca 0.81 1.05 -0.36 0.00 0.00 0.00 0.00 61.98 63.49 3ksa s VAL 459 Cb -0.59 -3.70 -0.16 0.00 0.00 0.00 0.00 36.38 31.93 3ksa s VAL 459 CO 0.39 -0.04 1.40 -0.38 0.00 0.00 0.00 175.10 176.47 3ksa n ILE 460 N 0.04 0.05 -2.04 2.22 5.41 -1.26 -4.86 119.36 118.92 3ksa n ILE 460 Ca 0.01 -0.01 -0.39 0.00 1.00 0.00 0.00 62.75 63.36 3ksa n ILE 460 Cb 0.52 -1.04 -0.03 0.00 -0.71 0.00 0.00 39.64 38.38 3ksa n ILE 460 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 3ksa s ASN 461 N 0.59 5.40 0.00 4.38 3.84 -1.26 -4.81 114.94 123.09 3ksa s ASN 461 Ca 0.82 0.54 0.20 0.00 0.21 0.00 0.00 52.86 54.63 3ksa s ASN 461 Cb -0.86 -2.53 1.08 0.00 -0.55 0.00 0.00 41.25 38.38 3ksa s ASN 461 CO 0.44 -2.23 1.60 0.35 -2.79 0.00 0.00 177.10 174.47 3ksa n THR 462 N 7.26 0.24 -0.26 -5.21 -2.24 -1.26 -2.18 114.28 110.63 3ksa n THR 462 Ca 0.21 0.06 0.05 0.00 -2.27 0.00 0.00 64.05 62.10 3ksa n THR 462 Cb 0.51 -0.74 0.12 0.00 -2.10 0.00 0.00 70.33 68.12 3ksa n THR 462 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ksa n ALA 463 N -1.16 2.22 0.00 6.98 0.00 -1.26 -4.51 120.51 122.78 3ksa n ALA 463 Ca 0.12 -1.31 0.00 0.00 0.00 0.00 0.00 53.44 52.25 3ksa n ALA 463 Cb 0.12 -0.34 0.00 0.00 0.00 0.00 0.00 19.45 19.22 3ksa n ALA 463 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3ksa n LYS 464 N 0.02 3.21 -3.82 0.00 4.81 -0.92 -4.58 118.16 116.87 3ksa n LYS 464 Ca 0.10 0.00 -0.24 0.00 -0.87 0.00 0.00 58.31 57.30 3ksa n LYS 464 Cb 0.44 -0.54 -0.04 0.00 0.02 0.00 0.00 35.03 34.92 3ksa n LYS 464 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3ksa s ALA 465 N -0.80 4.04 0.69 3.14 0.00 -1.10 -5.02 121.76 122.71 3ksa s ALA 465 Ca 0.00 -1.76 0.00 0.00 0.00 0.00 0.00 51.96 50.20 3ksa s ALA 465 Cb 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 23.12 22.37 3ksa s ALA 465 CO 0.00 -0.28 0.00 1.63 0.00 0.00 0.00 175.76 177.11 3ksa n LYS 466 N -1.53 3.28 -0.10 0.00 4.01 -1.26 -4.93 118.16 117.63 3ksa n LYS 466 Ca 0.01 0.00 -0.19 0.00 -0.51 0.00 0.00 58.31 57.61 3ksa n LYS 466 Cb 0.63 0.00 -0.09 0.00 -0.51 0.00 0.00 35.03 35.06 3ksa n LYS 466 CO 0.00 0.00 0.00 -0.12 -1.11 0.00 0.00 177.40 176.17 3ksa n MET 467 N 0.00 0.55 -0.07 1.97 1.56 -1.26 -3.79 117.12 116.07 3ksa n MET 467 Ca 0.00 0.52 -0.10 0.00 -0.27 0.00 0.00 57.70 57.85 3ksa n MET 467 Cb 0.00 -1.69 -0.03 0.00 2.15 0.00 0.00 33.22 33.65 3ksa n MET 467 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 3ksa h ALA 468 N -0.67 0.32 -0.60 -5.12 0.00 -1.99 -0.28 119.26 110.93 3ksa h ALA 468 Ca -0.32 -0.07 0.12 0.00 0.00 0.00 0.00 54.91 54.64 3ksa h ALA 468 Cb 1.19 -0.10 -0.09 0.00 0.00 0.00 0.00 17.79 18.79 3ksa h ALA 468 CO -0.20 -0.15 0.07 0.38 0.00 0.00 0.00 179.25 179.36 3ksa h ASP 469 N 0.29 -0.12 0.19 0.00 3.04 -1.96 -1.12 116.42 116.74 3ksa h ASP 469 Ca 0.09 0.13 -0.01 0.00 -3.24 0.00 0.00 57.03 54.00 3ksa h ASP 469 Cb 0.06 0.20 0.00 0.00 -1.04 0.00 0.00 39.33 38.56 3ksa h ASP 469 CO -0.01 -0.05 -0.09 0.40 -2.04 0.00 0.00 179.24 177.45 3ksa h ILE 470 N 0.19 0.00 -0.15 4.15 2.04 -1.49 -3.05 117.51 119.20 3ksa h ILE 470 Ca 0.31 -0.02 0.04 0.00 1.00 0.00 0.00 64.86 66.20 3ksa h ILE 470 Cb 0.49 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.56 3ksa h ILE 470 CO -0.45 0.00 0.14 -0.07 0.00 0.00 0.00 178.15 177.77 3ksa h LEU 471 N -0.28 0.00 -1.18 1.44 3.38 -1.01 0.39 115.31 118.06 3ksa h LEU 471 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3ksa h LEU 471 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3ksa h LEU 471 CO 0.04 0.00 0.00 0.11 0.09 0.00 0.00 178.44 178.68 3ksa h LYS 472 N 0.00 0.00 -6.27 1.13 1.79 -1.25 -3.42 116.57 108.55 3ksa h LYS 472 Ca 0.07 0.00 -0.55 0.00 -2.18 0.00 0.00 60.65 57.99 3ksa h LYS 472 Cb 0.35 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.96 3ksa h LYS 472 CO -0.00 0.00 0.47 0.54 -1.08 0.00 0.00 179.45 179.38 3ksa s ASN 473 N -5.26 7.25 0.18 0.86 2.20 0.14 -4.96 114.94 115.35 3ksa s ASN 473 Ca 0.02 1.53 -0.16 0.00 -0.94 0.00 0.00 52.86 53.32 3ksa s ASN 473 Cb 0.09 -2.55 0.14 0.00 -2.00 0.00 0.00 41.25 36.93 3ksa s ASN 473 CO 0.50 -0.37 1.67 -0.33 -2.94 0.00 0.00 177.10 175.63 3ksa h GLU 474 N 7.01 0.03 -0.51 3.55 5.08 -1.86 -2.41 114.58 125.47 3ksa h GLU 474 Ca -0.34 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.99 3ksa h GLU 474 Cb 1.17 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.39 3ksa h GLU 474 CO 0.82 0.02 0.22 0.93 -1.00 0.00 0.00 179.01 180.00 3ksa h GLU 475 N 0.03 0.75 -0.29 2.33 5.08 -1.94 0.50 114.58 121.04 3ksa h GLU 475 Ca 0.22 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 3ksa h GLU 475 Cb 0.34 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 3ksa h GLU 475 CO -0.44 0.64 0.15 0.82 -1.00 0.00 0.00 179.01 179.19 3ksa h ILE 476 N 0.68 1.14 -0.51 3.13 1.08 -1.84 -2.77 117.51 118.41 3ksa h ILE 476 Ca 0.17 -0.37 0.01 0.00 -0.39 0.00 0.00 64.86 64.28 3ksa h ILE 476 Cb 0.16 0.85 -0.03 0.00 -3.07 0.00 0.00 36.82 34.73 3ksa h ILE 476 CO -0.02 0.14 0.33 0.78 -0.69 0.00 0.00 178.15 178.69 3ksa h ASN 477 N 0.35 0.56 -0.94 1.72 4.21 -0.88 -1.09 115.58 119.50 3ksa h ASN 477 Ca 0.10 -0.01 0.05 0.00 1.21 0.00 0.00 56.30 57.65 3ksa h ASN 477 Cb 0.08 -0.13 -0.06 0.00 -1.12 0.00 0.00 38.32 37.09 3ksa h ASN 477 CO -0.02 0.40 0.60 0.71 -1.29 0.00 0.00 177.43 177.84 3ksa h THR 478 N 0.66 1.12 0.33 2.81 1.35 -0.92 -1.46 112.91 116.80 3ksa h THR 478 Ca 0.19 -0.39 -0.01 0.00 -0.55 0.00 0.00 66.41 65.66 3ksa h THR 478 Cb -0.04 -0.12 -0.01 0.00 -1.73 0.00 0.00 68.15 66.24 3ksa h THR 478 CO -0.06 0.21 -0.25 0.24 -0.25 0.00 0.00 175.52 175.41 3ksa h MET 479 N 1.14 -0.56 -0.46 4.72 2.86 -1.03 -1.57 114.93 120.03 3ksa h MET 479 Ca 0.39 0.04 0.09 0.00 -2.06 0.00 0.00 59.70 58.15 3ksa h MET 479 Cb 0.07 0.13 -0.07 0.00 0.06 0.00 0.00 31.60 31.78 3ksa h MET 479 CO -0.14 -0.37 0.03 0.82 1.06 0.00 0.00 176.91 178.30 3ksa h ILE 480 N -0.58 0.67 0.55 -1.22 2.04 -0.67 -1.88 117.51 116.42 3ksa h ILE 480 Ca -0.02 -0.05 -0.02 0.00 1.00 0.00 0.00 64.86 65.77 3ksa h ILE 480 Cb 0.50 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 3ksa h ILE 480 CO -0.01 0.03 -0.36 1.88 0.00 0.00 0.00 178.15 179.69 3ksa h TYR 481 N 0.14 -0.95 0.00 1.37 0.05 -1.14 -2.63 116.97 113.82 3ksa h TYR 481 Ca 0.23 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 59.01 3ksa h TYR 481 Cb 0.33 0.34 0.00 0.00 1.01 0.00 0.00 36.73 38.42 3ksa h TYR 481 CO -0.27 -0.54 0.00 0.25 -1.05 0.00 0.00 178.16 176.55 3ksa n THR 482 N -5.49 0.99 -0.03 -2.88 -2.24 -0.60 -2.16 114.28 101.87 3ksa n THR 482 Ca -0.12 0.44 -0.07 0.00 -2.27 0.00 0.00 64.05 62.03 3ksa n THR 482 Cb 0.38 -1.39 -0.14 0.00 -2.10 0.00 0.00 70.33 67.09 3ksa n THR 482 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 3ksa n ILE 483 N -2.15 1.42 0.00 2.28 5.41 -0.75 -4.94 119.36 120.62 3ksa n ILE 483 Ca 0.01 -0.78 0.00 0.00 1.00 0.00 0.00 62.75 62.97 3ksa n ILE 483 Cb 0.14 -0.79 0.00 0.00 -0.71 0.00 0.00 39.64 38.28 3ksa n ILE 483 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3ksa n GLY 484 N 1.57 0.85 0.00 7.39 0.00 -0.92 -3.03 105.19 111.05 3ksa n GLY 484 Ca -0.19 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.07 3ksa n GLY 484 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ksa n ALA 485 N 1.00 0.00 0.00 4.61 0.00 -1.26 -4.81 120.51 120.04 3ksa n ALA 485 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3ksa n ALA 485 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3ksa n ALA 485 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ksa n GLY 486 N -0.27 1.40 0.14 0.00 0.00 -1.25 -4.45 105.19 100.77 3ksa n GLY 486 Ca 0.00 -2.00 -0.01 0.00 0.00 0.00 0.00 46.02 44.01 3ksa n GLY 486 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3ksa h VAL 487 N 0.00 1.42 0.00 1.61 -1.51 -1.93 -3.35 116.25 112.49 3ksa h VAL 487 Ca 0.00 -2.03 0.00 0.00 -1.23 0.00 0.00 66.70 63.44 3ksa h VAL 487 Cb 0.00 2.09 0.00 0.00 -2.13 0.00 0.00 31.29 31.25 3ksa h VAL 487 CO 0.00 0.58 0.00 -0.67 -1.23 0.00 0.00 177.57 176.25 3ksa n ASP 490 N -3.84 0.00 0.00 4.19 -0.08 -1.26 -4.82 116.55 110.74 3ksa n ASP 490 Ca -0.01 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.27 3ksa n ASP 490 Cb 0.60 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.06 3ksa n ASP 490 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 3ksa n PHE 491 N 0.00 0.00 -0.05 -0.67 -0.00 -1.26 -5.03 117.46 110.45 3ksa n PHE 491 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 57.45 57.46 3ksa n PHE 491 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 39.48 39.48 3ksa n PHE 491 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63 3ksa n SER 492 N -0.04 -0.27 0.00 -2.13 3.41 -1.26 -3.94 113.62 109.39 3ksa n SER 492 Ca 0.00 0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 3ksa n SER 492 Cb 0.00 -0.15 0.00 0.00 -0.26 0.00 0.00 64.21 63.80 3ksa n SER 492 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 3ksa n ILE 493 N -2.52 0.00 -2.87 -1.33 5.41 -1.26 -4.64 119.36 112.15 3ksa n ILE 493 Ca -0.00 0.00 -0.42 0.00 1.00 0.00 0.00 62.75 63.32 3ksa n ILE 493 Cb 0.02 0.00 -0.04 0.00 -0.71 0.00 0.00 39.64 38.91 3ksa n ILE 493 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 3ksa s GLU 494 N 4.33 3.81 0.59 0.38 -1.05 -1.26 -4.62 118.70 120.88 3ksa s GLU 494 Ca 0.00 0.48 -0.10 0.00 -0.15 0.00 0.00 54.97 55.19 3ksa s GLU 494 Cb 0.00 -3.80 -0.09 0.00 -0.44 0.00 0.00 34.13 29.80 3ksa s GLU 494 CO 0.00 -0.90 -0.47 0.00 0.95 0.00 0.00 175.26 174.84 3ksa n ALA 496 N 6.61 -4.26 -0.41 -0.84 0.00 -1.26 -5.18 120.51 115.18 3ksa n ALA 496 Ca 0.05 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.09 3ksa n ALA 496 Cb 0.48 -0.69 0.00 0.00 0.00 0.00 0.00 19.45 19.24 3ksa n ALA 496 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3ksa n ASN 497 N 2.08 0.00 -3.78 0.00 2.85 -1.17 -4.52 115.26 110.73 3ksa n ASN 497 Ca -0.01 0.00 -0.13 0.00 -0.11 0.00 0.00 54.58 54.33 3ksa n ASN 497 Cb 0.33 0.00 -0.10 0.00 1.24 0.00 0.00 39.78 41.26 3ksa n ASN 497 CO 0.00 0.00 0.00 -0.31 -2.11 0.00 0.00 177.26 174.84 3ksa s TYR 498 N 0.00 -0.21 -0.71 1.20 2.02 -1.26 -4.38 117.35 114.00 3ksa s TYR 498 Ca 0.00 0.42 0.13 0.00 -0.37 0.00 0.00 57.07 57.26 3ksa s TYR 498 Cb 0.00 0.09 0.67 0.00 -0.40 0.00 0.00 41.96 42.31 3ksa s TYR 498 CO 0.00 -0.30 1.54 -3.47 -1.57 0.00 0.00 175.55 171.75 3ksa n ASP 499 N 1.88 4.67 -3.62 2.29 2.03 -1.02 -4.78 116.55 118.00 3ksa n ASP 499 Ca -0.19 -2.62 -0.03 0.00 0.52 0.00 0.00 54.79 52.47 3ksa n ASP 499 Cb 0.57 -0.61 -0.05 0.00 -0.72 0.00 0.00 41.12 40.30 3ksa n ASP 499 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3ksa s LYS 500 N -2.21 0.59 -0.23 -0.67 1.02 -1.25 -4.88 119.74 112.11 3ksa s LYS 500 Ca 0.45 1.23 -0.01 0.00 0.02 0.00 0.00 55.97 57.66 3ksa s LYS 500 Cb 0.32 0.47 0.02 0.00 -0.52 0.00 0.00 37.83 38.12 3ksa s LYS 500 CO 0.17 -0.16 -0.09 0.42 -0.92 0.00 0.00 175.35 174.77 3ksa s ILE 501 N 2.21 2.71 -0.16 2.17 1.01 -0.22 -1.20 121.20 127.71 3ksa s ILE 501 Ca -0.08 -1.00 0.00 0.00 0.00 0.00 0.00 60.65 59.58 3ksa s ILE 501 Cb -0.08 -2.33 0.00 0.00 0.01 0.00 0.00 42.46 40.06 3ksa s ILE 501 CO -0.19 0.28 -0.16 -0.63 0.00 0.00 0.00 174.94 174.23 3ksa s ILE 502 N 1.32 2.52 -0.35 2.92 1.01 0.30 -0.68 121.20 128.23 3ksa s ILE 502 Ca 0.01 -0.81 -0.15 0.00 0.00 0.00 0.00 60.65 59.70 3ksa s ILE 502 Cb -0.16 -2.06 -0.01 0.00 0.01 0.00 0.00 42.46 40.24 3ksa s ILE 502 CO -0.06 0.52 0.34 -0.63 0.00 0.00 0.00 174.94 175.11 3ksa s ILE 503 N 0.96 5.19 -0.28 2.92 1.01 -0.19 -0.66 121.20 130.15 3ksa s ILE 503 Ca -0.03 -0.09 0.02 0.00 0.00 0.00 0.00 60.65 60.55 3ksa s ILE 503 Cb -0.15 -3.83 0.08 0.00 0.01 0.00 0.00 42.46 38.57 3ksa s ILE 503 CO -0.03 -0.12 -0.00 -0.32 0.00 0.00 0.00 174.94 174.46 3ksa s MET 504 N 1.95 1.49 0.29 2.79 1.75 -0.18 -1.04 119.30 126.36 3ksa s MET 504 Ca 0.10 -1.31 0.10 0.00 -1.25 0.00 0.00 55.69 53.33 3ksa s MET 504 Cb -0.17 -2.70 -0.05 0.00 2.84 0.00 0.00 34.83 34.75 3ksa s MET 504 CO 0.12 -0.77 -0.04 0.95 -0.65 0.00 0.00 175.02 174.63 3ksa s THR 505 N 1.25 2.98 1.00 10.11 -4.23 -1.26 -4.13 115.64 121.35 3ksa s THR 505 Ca 0.02 -2.03 -0.16 0.00 -1.18 0.00 0.00 61.69 58.34 3ksa s THR 505 Cb -0.19 -2.71 0.00 0.00 1.34 0.00 0.00 72.50 70.94 3ksa s THR 505 CO -0.10 -0.32 -0.01 0.47 -0.54 0.00 0.00 174.62 174.12 3ksa n ASP 506 N -0.86 -2.93 0.08 3.99 9.92 -1.26 -4.76 116.55 120.72 3ksa n ASP 506 Ca -0.05 0.19 0.13 0.00 -0.53 0.00 0.00 54.79 54.53 3ksa n ASP 506 Cb 0.60 -1.03 0.34 0.00 -0.64 0.00 0.00 41.12 40.39 3ksa n ASP 506 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3ksa n ALA 507 N -3.55 2.54 -1.03 2.24 0.00 -1.26 -4.35 120.51 115.09 3ksa n ALA 507 Ca 0.03 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3ksa n ALA 507 Cb 0.57 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.66 3ksa n ALA 507 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3ksa n ASP 508 N -2.13 0.00 0.01 0.00 5.68 -1.26 -4.86 116.55 113.99 3ksa n ASP 508 Ca 0.05 0.00 -0.11 0.00 -0.50 0.00 0.00 54.79 54.23 3ksa n ASP 508 Cb 0.42 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 40.27 3ksa n ASP 508 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 3ksa h THR 509 N 0.00 0.99 0.00 2.12 1.35 -1.99 -3.05 112.91 112.33 3ksa h THR 509 Ca 0.00 -2.79 -0.02 0.00 -0.55 0.00 0.00 66.41 63.05 3ksa h THR 509 Cb 0.00 2.54 -0.00 0.00 -1.73 0.00 0.00 68.15 68.96 3ksa h THR 509 CO 0.00 0.65 -0.10 0.44 -0.25 0.00 0.00 175.52 176.26 3ksa h ASP 510 N 0.02 0.00 -0.13 5.36 3.32 -1.94 -1.10 116.42 121.95 3ksa h ASP 510 Ca -0.25 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.79 3ksa h ASP 510 Cb 1.98 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.52 3ksa h ASP 510 CO 0.10 0.10 0.06 1.23 -1.72 0.00 0.00 179.24 179.01 3ksa h GLY 511 N 0.34 0.20 1.26 2.75 0.00 -1.74 -2.62 103.07 103.26 3ksa h GLY 511 Ca -0.00 -0.10 0.07 0.00 0.00 0.00 0.00 47.33 47.30 3ksa h GLY 511 CO 0.01 0.10 0.33 0.00 0.00 0.00 0.00 176.54 176.98 3ksa h ALA 512 N 0.91 2.00 -0.18 3.60 0.00 -1.21 0.06 119.26 124.45 3ksa h ALA 512 Ca 0.04 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3ksa h ALA 512 Cb 0.14 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3ksa h ALA 512 CO -0.00 -0.10 -0.01 1.25 0.00 0.00 0.00 179.25 180.39 3ksa h HIS 513 N 0.35 0.35 -0.83 0.00 6.17 -1.06 -2.38 115.15 117.75 3ksa h HIS 513 Ca 0.22 -0.06 0.00 0.00 0.71 0.00 0.00 60.37 61.23 3ksa h HIS 513 Cb 0.40 -0.09 -0.04 0.00 2.52 0.00 0.00 27.41 30.20 3ksa h HIS 513 CO -0.00 0.54 0.53 0.82 0.71 0.00 0.00 177.93 180.53 3ksa h ILE 514 N 0.06 1.22 -0.56 6.26 2.04 -0.96 -0.45 117.51 125.13 3ksa h ILE 514 Ca 0.05 -0.45 0.08 0.00 1.00 0.00 0.00 64.86 65.54 3ksa h ILE 514 Cb 0.40 0.02 -0.07 0.00 -0.74 0.00 0.00 36.82 36.44 3ksa h ILE 514 CO 0.01 0.22 0.20 1.56 0.00 0.00 0.00 178.15 180.15 3ksa h GLN 515 N 1.14 0.37 -0.39 2.37 4.20 -0.96 0.16 115.11 122.00 3ksa h GLN 515 Ca 0.30 -0.02 0.05 0.00 0.06 0.00 0.00 58.65 59.04 3ksa h GLN 515 Cb -0.09 -0.08 -0.05 0.00 0.30 0.00 0.00 27.48 27.56 3ksa h GLN 515 CO -0.06 0.24 0.12 1.15 -0.67 0.00 0.00 178.83 179.61 3ksa h THR 516 N 0.38 0.85 -0.27 -0.54 2.02 -0.68 -0.21 112.91 114.46 3ksa h THR 516 Ca 0.28 -0.09 -0.03 0.00 0.77 0.00 0.00 66.41 67.34 3ksa h THR 516 Cb 0.32 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 3ksa h THR 516 CO -0.28 0.05 0.05 -0.07 0.37 0.00 0.00 175.52 175.64 3ksa h LEU 517 N 0.26 0.42 -0.68 2.58 3.38 -0.46 -2.69 115.31 118.12 3ksa h LEU 517 Ca 0.18 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 3ksa h LEU 517 Cb 0.18 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 3ksa h LEU 517 CO -0.21 0.56 0.29 -0.07 0.09 0.00 0.00 178.44 179.10 3ksa h LEU 518 N 0.25 0.93 -0.55 1.67 3.38 -0.37 -2.59 115.31 118.04 3ksa h LEU 518 Ca 0.08 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3ksa h LEU 518 Cb 0.32 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 3ksa h LEU 518 CO 0.00 0.84 0.30 -0.07 0.09 0.00 0.00 178.44 179.61 3ksa h LEU 519 N 0.97 0.68 -1.10 1.67 3.38 -1.06 -2.27 115.31 117.59 3ksa h LEU 519 Ca 0.23 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 3ksa h LEU 519 Cb 0.19 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 3ksa h LEU 519 CO -0.02 0.57 0.31 0.71 0.09 0.00 0.00 178.44 180.10 3ksa h THR 520 N 0.73 1.22 0.12 0.22 1.35 -1.23 0.30 112.91 115.62 3ksa h THR 520 Ca 0.19 -0.63 -0.00 0.00 -0.55 0.00 0.00 66.41 65.42 3ksa h THR 520 Cb 0.04 0.38 -0.00 0.00 -1.73 0.00 0.00 68.15 66.84 3ksa h THR 520 CO -0.03 0.26 -0.08 0.15 -0.25 0.00 0.00 175.52 175.57 3ksa h PHE 521 N 0.94 -0.20 -0.09 4.73 3.04 -1.13 0.35 116.94 124.57 3ksa h PHE 521 Ca 0.23 -0.00 0.01 0.00 3.98 0.00 0.00 57.97 62.19 3ksa h PHE 521 Cb 0.11 0.07 -0.01 0.00 2.56 0.00 0.00 35.95 38.69 3ksa h PHE 521 CO 0.01 -0.13 0.00 0.74 -2.02 0.00 0.00 178.31 176.91 3ksa h PHE 522 N -0.20 -0.00 -0.74 0.41 0.04 -1.09 -1.16 116.94 114.19 3ksa h PHE 522 Ca -0.01 0.01 0.06 0.00 2.80 0.00 0.00 57.97 60.83 3ksa h PHE 522 Cb 0.17 0.01 -0.06 0.00 2.20 0.00 0.00 35.95 38.28 3ksa h PHE 522 CO -0.09 -0.01 0.43 -0.92 -0.60 0.00 0.00 178.31 177.12 3ksa h TYR 523 N 0.03 0.79 0.43 -0.55 3.20 -0.17 -2.19 116.97 118.51 3ksa h TYR 523 Ca 0.04 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.92 3ksa h TYR 523 Cb 0.05 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.08 3ksa h TYR 523 CO -0.12 0.38 -0.21 0.00 -1.64 0.00 0.00 178.16 176.57 3ksa h ARG 524 N 0.78 -0.55 0.00 1.82 2.47 -0.08 -3.36 114.38 115.46 3ksa h ARG 524 Ca 0.33 0.04 0.00 0.00 -1.26 0.00 0.00 59.98 59.09 3ksa h ARG 524 Cb 0.20 0.13 0.00 0.00 -1.65 0.00 0.00 29.97 28.65 3ksa h ARG 524 CO -0.19 -0.30 0.00 0.66 0.56 0.00 0.00 179.97 180.70 3ksa n TYR 525 N -5.17 0.00 0.00 3.04 4.02 -0.46 -4.48 117.16 114.11 3ksa n TYR 525 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.81 3ksa n TYR 525 Cb 0.26 -0.06 0.00 0.00 -0.02 0.00 0.00 39.34 39.52 3ksa n TYR 525 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 176.86 174.52 3ksa n MET 526 N -1.14 0.00 -0.25 -0.72 2.81 -0.97 -4.57 117.12 112.28 3ksa n MET 526 Ca 0.00 0.00 0.02 0.00 -1.81 0.00 0.00 57.70 55.91 3ksa n MET 526 Cb 0.00 -1.44 0.10 0.00 -0.71 0.00 0.00 33.22 31.18 3ksa n MET 526 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 3ksa h ARG 527 N 2.50 0.03 -0.98 0.03 2.43 -1.55 0.11 114.38 116.94 3ksa h ARG 527 Ca 0.00 -0.00 0.18 0.00 -0.81 0.00 0.00 59.98 59.35 3ksa h ARG 527 Cb 0.00 -0.01 -0.09 0.00 -0.42 0.00 0.00 29.97 29.45 3ksa h ARG 527 CO 0.00 0.02 0.61 -1.35 -1.51 0.00 0.00 179.97 177.74 3ksa h PRO 528 N 0.03 0.69 -0.03 0.20 0.11 -1.88 0.19 132.00 131.31 3ksa h PRO 528 Ca 0.36 -0.04 0.03 0.00 0.11 0.00 0.00 66.00 66.47 3ksa h PRO 528 Cb 0.59 -0.16 -0.05 0.00 0.11 0.00 0.00 31.00 31.49 3ksa h PRO 528 CO -0.71 0.46 -0.24 1.25 -0.21 0.00 0.00 178.00 178.55 3ksa h LEU 529 N 0.71 -0.71 -0.32 2.35 6.46 -1.14 0.36 115.31 123.02 3ksa h LEU 529 Ca 0.54 0.10 -0.04 0.00 -0.12 0.00 0.00 57.88 58.36 3ksa h LEU 529 Cb 0.90 0.30 -0.01 0.00 -0.73 0.00 0.00 40.66 41.12 3ksa h LEU 529 CO -0.31 -0.30 0.05 0.58 -0.62 0.00 0.00 178.44 177.83 3ksa h VAL 530 N -0.35 1.24 -0.63 1.05 2.07 -0.78 -2.73 116.25 116.11 3ksa h VAL 530 Ca 0.07 -0.82 -0.00 0.00 0.82 0.00 0.00 66.70 66.77 3ksa h VAL 530 Cb 0.45 1.15 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 3ksa h VAL 530 CO -0.24 0.27 0.38 -0.33 0.02 0.00 0.00 177.57 177.68 3ksa h GLU 531 N 0.36 0.85 -0.85 1.57 3.07 -0.50 -2.61 114.58 116.48 3ksa h GLU 531 Ca 0.10 -0.07 0.01 0.00 -0.50 0.00 0.00 59.36 58.90 3ksa h GLU 531 Cb 0.35 -0.18 -0.04 0.00 -0.84 0.00 0.00 28.75 28.04 3ksa h GLU 531 CO 0.01 0.60 0.56 0.00 -1.40 0.00 0.00 179.01 178.78 3ksa h ALA 532 N 1.55 1.07 0.00 3.43 0.00 0.00 -3.45 119.26 121.87 3ksa h ALA 532 Ca 0.23 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3ksa h ALA 532 Cb -0.04 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.41 3ksa h ALA 532 CO -0.04 0.48 0.00 0.41 0.00 0.00 0.00 179.25 180.10 3ksa n GLY 533 N -1.33 1.00 0.07 0.00 0.00 -0.98 -5.04 105.19 98.90 3ksa n GLY 533 Ca 0.09 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.15 3ksa n GLY 533 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3ksa n HIS 534 N 0.00 0.00 -3.50 1.61 -0.00 -1.15 -4.92 115.22 107.26 3ksa n HIS 534 Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 57.72 57.34 3ksa n HIS 534 Cb 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 29.99 29.90 3ksa n HIS 534 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 3ksa s VAL 535 N -1.55 5.26 0.22 1.59 1.01 -1.26 -1.05 120.40 124.61 3ksa s VAL 535 Ca 0.04 0.46 0.11 0.00 0.00 0.00 0.00 61.98 62.60 3ksa s VAL 535 Cb 0.06 -3.63 -0.05 0.00 0.00 0.00 0.00 36.38 32.77 3ksa s VAL 535 CO 0.28 0.27 -0.22 -0.31 0.00 0.00 0.00 175.10 175.13 3ksa s TYR 536 N 1.34 2.32 -0.11 5.22 2.02 0.14 -1.52 117.35 126.76 3ksa s TYR 536 Ca 0.13 -0.34 0.03 0.00 -0.37 0.00 0.00 57.07 56.52 3ksa s TYR 536 Cb -0.14 -1.11 -0.00 0.00 -0.40 0.00 0.00 41.96 40.30 3ksa s TYR 536 CO 0.07 0.56 -0.21 0.42 -1.57 0.00 0.00 175.55 174.82 3ksa s ILE 537 N -1.90 2.30 -0.06 2.71 1.01 -0.08 -1.02 121.20 124.17 3ksa s ILE 537 Ca 0.24 -0.93 -0.05 0.00 0.00 0.00 0.00 60.65 59.90 3ksa s ILE 537 Cb -0.07 -1.90 -0.04 0.00 0.01 0.00 0.00 42.46 40.46 3ksa s ILE 537 CO 0.12 0.55 0.17 0.00 0.00 0.00 0.00 174.94 175.78 3ksa s ALA 538 N 0.32 3.91 -0.70 9.38 0.00 -0.21 -0.88 121.76 133.58 3ksa s ALA 538 Ca -0.16 -0.69 0.05 0.00 0.00 0.00 0.00 51.96 51.15 3ksa s ALA 538 Cb -0.17 -1.94 0.20 0.00 0.00 0.00 0.00 23.12 21.21 3ksa s ALA 538 CO 0.08 0.68 0.61 1.28 0.00 0.00 0.00 175.76 178.42 3ksa n LEU 539 N 1.41 3.41 -4.81 0.00 7.99 -1.26 -4.59 117.00 119.15 3ksa n LEU 539 Ca -0.15 -5.29 -0.35 0.00 -0.01 0.00 0.00 56.01 50.21 3ksa n LEU 539 Cb 0.54 -0.76 -0.06 0.00 -0.11 0.00 0.00 43.42 43.02 3ksa n LEU 539 CO 0.38 1.85 0.57 -2.16 -1.51 0.00 0.00 177.39 176.52 3ksa s PRO 540 N -1.83 4.35 0.71 3.23 0.05 -1.26 -4.92 135.00 135.33 3ksa s PRO 540 Ca 0.30 1.10 -0.16 0.00 0.05 0.00 0.00 61.00 62.29 3ksa s PRO 540 Cb 0.02 -2.62 0.01 0.00 0.05 0.00 0.00 34.50 31.96 3ksa s PRO 540 CO -0.11 0.21 1.03 -2.30 0.05 0.00 0.00 177.00 175.88 3ksa n PRO 541 N 0.18 0.58 -0.10 0.56 -0.02 -1.26 -4.65 135.00 130.30 3ksa n PRO 541 Ca 0.02 0.25 -0.20 0.00 -2.02 0.00 0.00 63.50 61.56 3ksa n PRO 541 Cb 0.52 -2.28 -0.07 0.00 -0.02 0.00 0.00 33.50 31.66 3ksa n PRO 541 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3ksa n LEU 542 N -1.79 1.54 -4.56 2.45 0.00 -0.84 -4.63 117.00 109.17 3ksa n LEU 542 Ca 0.13 0.26 -0.34 0.00 0.00 0.00 0.00 56.01 56.07 3ksa n LEU 542 Cb 0.49 -0.63 -0.12 0.00 0.00 0.00 0.00 43.42 43.17 3ksa n LEU 542 CO 0.48 0.27 -0.38 -0.31 0.00 0.00 0.00 177.39 177.46 3ksa s TYR 543 N -2.45 2.93 -0.09 1.96 2.02 -0.96 0.03 117.35 120.80 3ksa s TYR 543 Ca -0.28 -0.05 0.02 0.00 -0.37 0.00 0.00 57.07 56.40 3ksa s TYR 543 Cb 0.10 -1.74 0.01 0.00 -0.40 0.00 0.00 41.96 39.93 3ksa s TYR 543 CO 0.36 0.27 -0.15 0.21 -1.57 0.00 0.00 175.55 174.66 3ksa s LYS 544 N -0.64 2.14 -0.04 -0.62 2.20 -0.07 -0.54 119.74 122.16 3ksa s LYS 544 Ca 0.10 -0.55 0.05 0.00 -0.36 0.00 0.00 55.97 55.20 3ksa s LYS 544 Cb -0.11 -1.76 -0.02 0.00 -1.51 0.00 0.00 37.83 34.42 3ksa s LYS 544 CO 0.02 0.01 -0.17 1.41 -0.36 0.00 0.00 175.35 176.26 3ksa s MET 545 N 0.76 2.42 -0.02 4.03 1.75 -0.45 -0.86 119.30 126.92 3ksa s MET 545 Ca -0.12 -0.74 -0.01 0.00 -1.25 0.00 0.00 55.69 53.56 3ksa s MET 545 Cb -0.16 -2.31 0.01 0.00 2.84 0.00 0.00 34.83 35.21 3ksa s MET 545 CO 0.02 0.61 0.04 -1.54 -0.65 0.00 0.00 175.02 173.51 3ksa s SER 546 N -0.71 -0.04 0.00 1.11 1.04 -0.21 -1.69 113.70 113.20 3ksa s SER 546 Ca 0.11 0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.63 3ksa s SER 546 Cb -0.10 0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.09 3ksa s SER 546 CO 0.00 -0.03 0.00 0.29 0.98 0.00 0.00 173.24 174.49 3ksa n LYS 547 N 3.17 2.85 -4.37 4.02 5.02 -1.26 -1.36 118.16 126.23 3ksa n LYS 547 Ca -0.14 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.81 3ksa n LYS 547 Cb 0.59 -0.86 -0.10 0.00 -0.02 0.00 0.00 35.03 34.64 3ksa n LYS 547 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 3ksa s GLU 553 N -1.72 3.15 -0.13 1.97 2.12 -1.26 -5.00 118.70 117.82 3ksa s GLU 553 Ca 0.00 -0.43 0.00 0.00 0.36 0.00 0.00 54.97 54.90 3ksa s GLU 553 Cb 0.00 -2.83 -0.01 0.00 0.26 0.00 0.00 34.13 31.55 3ksa s GLU 553 CO 0.00 0.59 -0.14 -1.83 -0.54 0.00 0.00 175.26 173.34 3ksa s GLU 554 N -0.58 3.32 -0.03 4.30 4.04 -1.26 -5.11 118.70 123.37 3ksa s GLU 554 Ca 0.10 -0.72 0.00 0.00 0.04 0.00 0.00 54.97 54.39 3ksa s GLU 554 Cb -0.12 -2.60 0.03 0.00 0.02 0.00 0.00 34.13 31.46 3ksa s GLU 554 CO 0.02 0.17 0.00 0.08 -1.84 0.00 0.00 175.26 173.69 3ksa s VAL 555 N 0.45 0.18 0.27 1.83 1.01 -1.26 -4.21 120.40 118.67 3ksa s VAL 555 Ca -0.11 0.11 0.06 0.00 0.00 0.00 0.00 61.98 62.04 3ksa s VAL 555 Cb -0.16 -0.29 -0.06 0.00 0.00 0.00 0.00 36.38 35.87 3ksa s VAL 555 CO 0.05 0.16 -0.04 0.00 0.00 0.00 0.00 175.10 175.26 3ksa s ALA 556 N 1.17 2.24 0.04 5.51 0.00 -0.68 -4.99 121.76 125.05 3ksa s ALA 556 Ca -0.08 -1.88 0.07 0.00 0.00 0.00 0.00 51.96 50.07 3ksa s ALA 556 Cb -0.13 0.26 -0.02 0.00 0.00 0.00 0.00 23.12 23.23 3ksa s ALA 556 CO -0.02 -0.12 -0.19 0.71 0.00 0.00 0.00 175.76 176.15 3ksa s TYR 557 N -3.10 1.64 0.20 0.00 1.51 -1.26 -1.34 117.35 115.00 3ksa s TYR 557 Ca 0.29 -0.37 0.10 0.00 -1.01 0.00 0.00 57.07 56.08 3ksa s TYR 557 Cb 0.04 -0.98 -0.04 0.00 -0.11 0.00 0.00 41.96 40.87 3ksa s TYR 557 CO 0.11 0.08 -0.19 0.00 -1.11 0.00 0.00 175.55 174.44 3ksa s ALA 558 N -0.82 2.29 -0.03 3.71 0.00 0.30 -5.01 121.76 122.21 3ksa s ALA 558 Ca 0.06 -1.63 0.01 0.00 0.00 0.00 0.00 51.96 50.40 3ksa s ALA 558 Cb -0.09 -0.22 -0.02 0.00 0.00 0.00 0.00 23.12 22.80 3ksa s ALA 558 CO 0.02 0.27 0.04 0.91 0.00 0.00 0.00 175.76 177.00 3ksa n TRP 559 N 0.00 0.00 -3.63 0.00 8.01 -1.26 -1.99 117.44 118.57 3ksa n TRP 559 Ca -0.11 0.00 -0.01 0.00 -1.31 0.00 0.00 57.50 56.07 3ksa n TRP 559 Cb 0.58 -0.02 -0.06 0.00 -2.01 0.00 0.00 31.31 29.80 3ksa n TRP 559 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.69 177.67 3ksa s THR 560 N -1.66 -0.03 0.00 -0.99 2.01 -1.26 -4.65 115.64 109.05 3ksa s THR 560 Ca -0.00 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.00 3ksa s THR 560 Cb 0.01 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.52 3ksa s THR 560 CO 0.05 0.00 0.00 0.47 -0.69 0.00 0.00 174.62 174.45 3ksa n ASP 561 N 3.70 0.00 -0.13 3.53 8.00 -1.26 0.41 116.55 130.81 3ksa n ASP 561 Ca -0.18 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.28 3ksa n ASP 561 Cb 0.57 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.69 3ksa n ASP 561 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 3ksa h GLY 562 N 0.00 0.28 0.49 0.44 0.00 -2.01 0.52 103.07 102.80 3ksa h GLY 562 Ca 0.00 0.16 0.14 0.00 0.00 0.00 0.00 47.33 47.62 3ksa h GLY 562 CO 0.00 -0.17 0.59 1.05 0.00 0.00 0.00 176.54 178.02 3ksa h GLU 563 N -0.02 0.77 -0.15 4.80 -0.00 -0.46 -2.02 114.58 117.51 3ksa h GLU 563 Ca 0.21 -0.05 0.03 0.00 -0.00 0.00 0.00 59.36 59.55 3ksa h GLU 563 Cb 0.33 -0.17 -0.02 0.00 -0.00 0.00 0.00 28.75 28.88 3ksa h GLU 563 CO -0.45 0.51 -0.01 1.25 -0.00 0.00 0.00 179.01 180.31 3ksa h LEU 564 N 0.79 -0.08 -0.33 3.06 5.85 -0.98 -1.23 115.31 122.39 3ksa h LEU 564 Ca 0.47 0.04 0.06 0.00 0.84 0.00 0.00 57.88 59.28 3ksa h LEU 564 Cb 0.65 0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.69 3ksa h LEU 564 CO -0.23 -0.02 -0.00 -0.33 -0.34 0.00 0.00 178.44 177.52 3ksa h GLU 565 N 0.04 0.09 -0.57 1.25 3.07 -0.90 0.12 114.58 117.67 3ksa h GLU 565 Ca 0.07 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.92 3ksa h GLU 565 Cb 0.09 -0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 27.95 3ksa h GLU 565 CO -0.13 0.06 0.34 1.05 -1.40 0.00 0.00 179.01 178.93 3ksa h GLU 566 N 0.09 0.79 -0.49 2.33 -0.00 -1.44 -0.85 114.58 115.01 3ksa h GLU 566 Ca 0.16 -0.08 0.03 0.00 -0.00 0.00 0.00 59.36 59.47 3ksa h GLU 566 Cb 0.22 -0.16 -0.04 0.00 -0.00 0.00 0.00 28.75 28.77 3ksa h GLU 566 CO -0.27 0.58 0.27 1.37 -0.00 0.00 0.00 179.01 180.96 3ksa h LEU 567 N 0.77 0.43 -0.60 3.06 -0.00 -0.62 -1.62 115.31 116.73 3ksa h LEU 567 Ca 0.20 0.01 0.02 0.00 -0.00 0.00 0.00 57.88 58.12 3ksa h LEU 567 Cb 0.00 -0.07 -0.04 0.00 -0.00 0.00 0.00 40.66 40.55 3ksa h LEU 567 CO -0.04 0.30 0.37 0.03 -0.00 0.00 0.00 178.44 179.11 3ksa h ARG 568 N 0.54 0.72 -0.34 0.17 2.47 -0.43 -1.24 114.38 116.27 3ksa h ARG 568 Ca 0.20 -0.04 0.03 0.00 -1.26 0.00 0.00 59.98 58.91 3ksa h ARG 568 Cb 0.06 -0.16 -0.03 0.00 -1.65 0.00 0.00 29.97 28.18 3ksa h ARG 568 CO -0.11 0.48 0.15 0.87 0.56 0.00 0.00 179.97 181.92 3ksa h LYS 569 N 0.74 0.31 0.65 0.04 6.56 -0.89 -2.74 116.57 121.25 3ksa h LYS 569 Ca 0.24 -0.02 -0.03 0.00 -1.06 0.00 0.00 60.65 59.78 3ksa h LYS 569 Cb -0.00 -0.07 -0.00 0.00 -0.57 0.00 0.00 32.23 31.59 3ksa h LYS 569 CO -0.09 0.21 -0.40 -0.56 -2.06 0.00 0.00 179.45 176.55 3ksa h GLN 570 N 0.32 -0.94 0.00 3.15 -0.00 -0.82 -2.88 115.11 113.95 3ksa h GLN 570 Ca 0.14 0.06 0.00 0.00 -0.00 0.00 0.00 58.65 58.86 3ksa h GLN 570 Cb 0.07 0.21 0.00 0.00 -0.00 0.00 0.00 27.48 27.77 3ksa h GLN 570 CO -0.11 -0.63 0.00 1.19 -0.00 0.00 0.00 178.83 179.28 3ksa n PHE 571 N -4.91 0.00 0.00 0.06 3.01 -0.51 -4.93 117.46 110.17 3ksa n PHE 571 Ca -0.12 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.34 3ksa n PHE 571 Cb 0.41 -0.40 0.00 0.00 -0.01 0.00 0.00 39.48 39.48 3ksa n PHE 571 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3ksa n GLY 572 N -1.35 0.00 3.34 1.37 0.00 -1.04 -4.49 105.19 103.02 3ksa n GLY 572 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 3ksa n GLY 572 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3ksa n LYS 573 N 0.00 -0.33 0.00 1.61 0.00 -1.26 -3.63 118.16 114.55 3ksa n LYS 573 Ca 0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 58.31 58.25 3ksa n LYS 573 Cb 0.00 -1.71 0.00 0.00 -0.00 0.00 0.00 35.03 33.32 3ksa n LYS 573 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3ksa n GLY 574 N 1.86 2.69 3.74 2.58 0.00 -1.26 -4.99 105.19 109.80 3ksa n GLY 574 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 3ksa n GLY 574 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ksa n ALA 575 N -0.03 2.05 -2.85 4.61 0.00 -1.24 -4.91 120.51 118.14 3ksa n ALA 575 Ca 0.00 0.36 -0.34 0.00 0.00 0.00 0.00 53.44 53.46 3ksa n ALA 575 Cb 0.00 -2.38 -0.06 0.00 0.00 0.00 0.00 19.45 17.01 3ksa n ALA 575 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3ksa s THR 576 N -0.78 5.19 -0.05 0.00 -4.23 -0.46 -4.94 115.64 110.37 3ksa s THR 576 Ca 0.57 -0.13 0.06 0.00 -1.18 0.00 0.00 61.69 61.01 3ksa s THR 576 Cb -0.52 -3.35 -0.01 0.00 1.34 0.00 0.00 72.50 69.96 3ksa s THR 576 CO 0.59 0.43 -0.25 -0.22 -0.54 0.00 0.00 174.62 174.63 3ksa s LEU 577 N -1.57 2.06 -0.02 4.79 2.96 -1.26 -1.05 118.68 124.59 3ksa s LEU 577 Ca 0.22 -0.49 0.07 0.00 -0.22 0.00 0.00 54.13 53.70 3ksa s LEU 577 Cb -0.12 -1.34 -0.02 0.00 0.50 0.00 0.00 46.19 45.21 3ksa s LEU 577 CO 0.12 0.25 -0.22 -1.58 -1.32 0.00 0.00 176.35 173.61 3ksa s GLN 578 N -0.21 1.75 -0.14 1.98 0.74 -0.04 -4.99 119.66 118.75 3ksa s GLN 578 Ca -0.02 -0.77 0.00 0.00 0.05 0.00 0.00 55.36 54.63 3ksa s GLN 578 Cb -0.13 -1.69 0.02 0.00 1.10 0.00 0.00 33.01 32.31 3ksa s GLN 578 CO 0.03 0.46 -0.13 0.50 -0.55 0.00 0.00 175.29 175.60 3ksa s ARG 579 N -0.50 2.11 -0.97 1.67 3.52 -1.26 -0.89 118.95 122.64 3ksa s ARG 579 Ca 0.08 -0.49 -0.23 0.00 -0.13 0.00 0.00 55.73 54.96 3ksa s ARG 579 Cb -0.08 -1.97 0.05 0.00 -1.56 0.00 0.00 34.95 31.39 3ksa s ARG 579 CO -0.01 -0.23 1.40 0.71 -0.81 0.00 0.00 175.30 176.36 3ksa s TYR 580 N 1.49 2.52 -1.42 5.12 2.02 0.10 -4.85 117.35 122.33 3ksa s TYR 580 Ca 0.04 -0.74 -0.08 0.00 -0.37 0.00 0.00 57.07 55.92 3ksa s TYR 580 Cb -0.13 -4.66 0.06 0.00 -0.40 0.00 0.00 41.96 36.83 3ksa s TYR 580 CO -0.09 -1.94 2.46 1.63 -1.57 0.00 0.00 175.55 176.04 3ksa n LYS 581 N 8.83 4.01 0.00 -0.62 5.02 -1.26 -4.54 118.16 129.60 3ksa n LYS 581 Ca 0.27 -3.01 0.00 0.00 -2.02 0.00 0.00 58.31 53.55 3ksa n LYS 581 Cb 0.51 -2.79 0.00 0.00 -0.02 0.00 0.00 35.03 32.72 3ksa n LYS 581 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ksa n GLY 582 N 2.68 3.57 0.19 0.72 0.00 -1.26 -4.95 105.19 106.14 3ksa n GLY 582 Ca 0.63 -1.60 -0.10 0.00 0.00 0.00 0.00 46.02 44.95 3ksa n GLY 582 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3ksa h LEU 583 N 0.00 0.54 0.00 0.99 6.46 -1.93 -2.77 115.31 118.60 3ksa h LEU 583 Ca 0.00 -0.34 0.00 0.00 -0.12 0.00 0.00 57.88 57.42 3ksa h LEU 583 Cb 0.00 -0.16 0.00 0.00 -0.73 0.00 0.00 40.66 39.77 3ksa h LEU 583 CO 0.00 1.08 0.00 0.61 -0.62 0.00 0.00 178.44 179.51 3ksa n GLY 584 N 0.51 -0.09 0.02 3.75 0.00 -1.26 -2.12 105.19 106.00 3ksa n GLY 584 Ca -0.04 -0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.07 3ksa n GLY 584 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3ksa n GLU 585 N -0.84 0.30 -3.95 1.61 2.13 -1.04 -4.91 120.64 113.94 3ksa n GLU 585 Ca 0.02 -0.06 -0.21 0.00 0.66 0.00 0.00 57.16 57.57 3ksa n GLU 585 Cb 0.01 -1.54 -0.03 0.00 0.27 0.00 0.00 31.44 30.14 3ksa n GLU 585 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3ksa s MET 586 N -3.22 3.12 0.49 5.31 0.23 -0.90 -5.01 119.30 119.31 3ksa s MET 586 Ca 0.02 -0.97 -0.05 0.00 -1.03 0.00 0.00 55.69 53.66 3ksa s MET 586 Cb 0.15 -2.71 0.11 0.00 -1.53 0.00 0.00 34.83 30.85 3ksa s MET 586 CO 0.85 0.34 0.66 0.09 -2.03 0.00 0.00 175.02 174.93 3ksa n ASN 587 N -1.34 0.37 0.08 -1.18 3.02 -1.26 -4.88 115.26 110.06 3ksa n ASN 587 Ca -0.07 -1.43 -0.10 0.00 -0.03 0.00 0.00 54.58 52.95 3ksa n ASN 587 Cb 0.58 -0.48 -0.07 0.00 -0.61 0.00 0.00 39.78 39.20 3ksa n ASN 587 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ksa h ALA 588 N -1.29 -0.27 -0.71 5.41 0.00 -1.97 -2.19 119.26 118.25 3ksa h ALA 588 Ca -0.22 -0.21 0.12 0.00 0.00 0.00 0.00 54.91 54.61 3ksa h ALA 588 Cb 0.67 0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.48 3ksa h ALA 588 CO 0.18 -0.34 0.29 0.38 0.00 0.00 0.00 179.25 179.77 3ksa h ASP 589 N -0.90 0.30 0.64 0.00 -0.00 -1.95 -1.16 116.42 113.36 3ksa h ASP 589 Ca -0.03 0.09 -0.03 0.00 -0.00 0.00 0.00 57.03 57.07 3ksa h ASP 589 Cb 0.50 0.06 -0.00 0.00 -0.00 0.00 0.00 39.33 39.89 3ksa h ASP 589 CO 0.05 0.15 -0.36 1.56 -0.00 0.00 0.00 179.24 180.63 3ksa h GLN 590 N 0.47 -0.90 -0.87 4.15 4.20 -1.94 0.75 115.11 120.97 3ksa h GLN 590 Ca 0.37 0.06 0.13 0.00 0.06 0.00 0.00 58.65 59.27 3ksa h GLN 590 Cb 0.51 0.20 -0.09 0.00 0.30 0.00 0.00 27.48 28.40 3ksa h GLN 590 CO -0.35 -0.60 0.48 1.25 -0.67 0.00 0.00 178.83 178.94 3ksa h LEU 591 N -0.93 0.65 0.49 1.46 6.46 -0.94 -0.91 115.31 121.58 3ksa h LEU 591 Ca -0.08 0.07 -0.02 0.00 -0.12 0.00 0.00 57.88 57.72 3ksa h LEU 591 Cb 0.74 -0.05 0.00 0.00 -0.73 0.00 0.00 40.66 40.63 3ksa h LEU 591 CO 0.11 0.32 -0.23 -0.25 -0.62 0.00 0.00 178.44 177.77 3ksa h TRP 592 N 0.74 -0.61 -0.96 1.25 2.91 -1.02 -1.37 115.95 116.90 3ksa h TRP 592 Ca 0.45 -0.01 0.15 0.00 1.13 0.00 0.00 58.89 60.61 3ksa h TRP 592 Cb 0.53 0.20 -0.08 0.00 -0.51 0.00 0.00 29.16 29.30 3ksa h TRP 592 CO -0.06 -0.38 0.61 0.93 -1.03 0.00 0.00 178.44 178.50 3ksa h GLU 593 N -0.76 0.77 0.00 2.65 4.39 -0.49 -2.48 114.58 118.67 3ksa h GLU 593 Ca -0.07 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.55 3ksa h GLU 593 Cb 0.50 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.97 3ksa h GLU 593 CO 0.11 0.51 -0.22 1.79 -1.16 0.00 0.00 179.01 180.04 3ksa h THR 594 N 0.79 1.14 0.00 1.13 1.35 -1.26 -3.43 112.91 112.64 3ksa h THR 594 Ca 0.50 -1.93 0.00 0.00 -0.55 0.00 0.00 66.41 64.43 3ksa h THR 594 Cb 0.72 2.23 0.00 0.00 -1.73 0.00 0.00 68.15 69.37 3ksa h THR 594 CO -0.27 0.39 0.00 0.35 -0.25 0.00 0.00 175.52 175.74 3ksa n THR 595 N -4.62 0.13 0.00 6.82 -2.24 -0.53 -4.32 114.28 109.51 3ksa n THR 595 Ca -0.11 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 3ksa n THR 595 Cb 0.38 1.19 0.00 0.00 -2.10 0.00 0.00 70.33 69.81 3ksa n THR 595 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 3ksa n MET 596 N -0.06 0.00 -1.65 -0.78 2.00 -1.02 -4.80 117.12 110.81 3ksa n MET 596 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 57.70 57.27 3ksa n MET 596 Cb 0.12 -0.92 -0.03 0.00 0.00 0.00 0.00 33.22 32.39 3ksa n MET 596 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 175.97 177.18 3ksa s ASN 597 N -4.03 5.79 0.47 7.83 2.47 -0.96 -4.86 114.94 121.65 3ksa s ASN 597 Ca 0.00 2.11 0.19 0.00 0.42 0.00 0.00 52.86 55.58 3ksa s ASN 597 Cb 0.00 -2.52 1.18 0.00 -1.45 0.00 0.00 41.25 38.47 3ksa s ASN 597 CO 0.00 -1.66 1.98 -0.65 -3.72 0.00 0.00 177.10 173.05 3ksa h PRO 598 N 13.52 0.23 -0.59 0.43 0.11 -1.92 0.15 132.00 143.93 3ksa h PRO 598 Ca -0.43 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.68 3ksa h PRO 598 Cb 1.23 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 3ksa h PRO 598 CO 0.96 0.15 0.38 0.93 -0.21 0.00 0.00 178.00 180.21 3ksa h GLU 599 N 0.24 0.74 -0.01 1.05 3.07 -1.99 -3.30 114.58 114.38 3ksa h GLU 599 Ca 0.28 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 59.10 3ksa h GLU 599 Cb 0.77 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 28.52 3ksa h GLU 599 CO -0.06 0.49 -0.02 0.25 -1.40 0.00 0.00 179.01 178.27 3ksa n THR 600 N -4.71 0.00 -2.20 1.13 -2.24 -0.82 -5.02 114.28 100.42 3ksa n THR 600 Ca 0.05 -0.49 -0.27 0.00 -2.27 0.00 0.00 64.05 61.07 3ksa n THR 600 Cb 0.05 1.09 0.06 0.00 -2.10 0.00 0.00 70.33 69.42 3ksa n THR 600 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ksa s ARG 601 N -0.47 2.45 -0.00 -0.78 1.70 0.46 -4.90 118.95 117.41 3ksa s ARG 601 Ca 0.05 -0.08 0.00 0.00 -0.47 0.00 0.00 55.73 55.23 3ksa s ARG 601 Cb 0.04 -2.16 0.00 0.00 -0.57 0.00 0.00 34.95 32.26 3ksa s ARG 601 CO 0.07 -1.10 -0.00 -0.08 -1.08 0.00 0.00 175.30 173.10 3ksa s THR 602 N -3.22 0.05 0.21 4.99 -1.32 -1.26 -4.92 115.64 110.16 3ksa s THR 602 Ca 0.58 0.01 0.11 0.00 -1.21 0.00 0.00 61.69 61.18 3ksa s THR 602 Cb -0.11 -0.07 -0.04 0.00 -1.51 0.00 0.00 72.50 70.77 3ksa s THR 602 CO 0.46 0.03 -0.21 -0.76 -2.21 0.00 0.00 174.62 171.93 3ksa s LEU 603 N 0.17 2.55 -0.13 9.08 1.43 -1.26 -4.27 118.68 126.25 3ksa s LEU 603 Ca -0.01 -0.84 -0.06 0.00 -1.03 0.00 0.00 54.13 52.19 3ksa s LEU 603 Cb -0.02 -1.24 -0.04 0.00 0.03 0.00 0.00 46.19 44.91 3ksa s LEU 603 CO -0.00 0.10 0.08 -0.63 0.23 0.00 0.00 176.35 176.12 3ksa s ILE 604 N -1.81 4.94 -0.21 -0.59 1.01 -0.06 -4.95 121.20 119.52 3ksa s ILE 604 Ca 0.23 0.00 -0.02 0.00 0.00 0.00 0.00 60.65 60.86 3ksa s ILE 604 Cb -0.08 -3.16 0.00 0.00 0.01 0.00 0.00 42.46 39.24 3ksa s ILE 604 CO 0.12 0.56 -0.08 -0.60 0.00 0.00 0.00 174.94 174.94 3ksa s ARG 605 N -0.52 3.23 -0.24 2.79 3.52 -1.26 -0.91 118.95 125.56 3ksa s ARG 605 Ca 0.11 -0.71 -0.12 0.00 -0.13 0.00 0.00 55.73 54.88 3ksa s ARG 605 Cb -0.12 -2.90 -0.05 0.00 -1.56 0.00 0.00 34.95 30.32 3ksa s ARG 605 CO 0.02 -0.22 0.22 0.08 -0.81 0.00 0.00 175.30 174.59 3ksa s VAL 606 N 1.42 5.31 0.14 7.11 1.01 -0.57 -5.02 120.40 129.80 3ksa s VAL 606 Ca 0.05 0.29 0.06 0.00 0.00 0.00 0.00 61.98 62.38 3ksa s VAL 606 Cb -0.14 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 3ksa s VAL 606 CO -0.06 0.30 -0.12 0.42 0.00 0.00 0.00 175.10 175.64 3ksa s THR 607 N 1.27 1.31 -0.16 3.92 -4.23 -1.26 -4.55 115.64 111.93 3ksa s THR 607 Ca 0.10 -1.91 -0.03 0.00 -1.18 0.00 0.00 61.69 58.68 3ksa s THR 607 Cb -0.14 -1.71 -0.02 0.00 1.34 0.00 0.00 72.50 71.97 3ksa s THR 607 CO 0.06 -0.57 -0.07 -0.51 -0.54 0.00 0.00 174.62 173.00 3ksa s ILE 608 N -2.70 3.49 -1.05 2.99 1.10 -1.26 -4.98 121.20 118.79 3ksa s ILE 608 Ca 0.13 -0.49 0.09 0.00 -0.51 0.00 0.00 60.65 59.87 3ksa s ILE 608 Cb -0.02 -2.53 0.06 0.00 0.15 0.00 0.00 42.46 40.13 3ksa s ILE 608 CO 0.03 0.48 0.75 -1.84 -2.11 0.00 0.00 174.94 172.25 3ksa n GLU 609 N 3.87 0.49 0.00 3.50 -0.00 -1.26 -4.90 120.64 122.34 3ksa n GLU 609 Ca -0.18 -0.96 0.00 0.00 -0.00 0.00 0.00 57.16 56.03 3ksa n GLU 609 Cb 0.52 -1.15 0.00 0.00 -0.00 0.00 0.00 31.44 30.81 3ksa n GLU 609 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 3ksa n ASP 610 N 0.38 0.42 0.00 -1.84 4.64 -1.26 -5.07 116.55 113.83 3ksa n ASP 610 Ca 0.05 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.46 3ksa n ASP 610 Cb 0.21 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.29 3ksa n ASP 610 CO 0.00 0.00 0.00 -0.11 -0.82 0.00 0.00 177.20 176.27 3ksa n LEU 611 N 0.00 0.55 -0.22 -2.67 7.94 -1.26 -4.83 117.00 116.50 3ksa n LEU 611 Ca 0.00 0.00 -0.01 0.00 -1.11 0.00 0.00 56.01 54.89 3ksa n LEU 611 Cb 0.00 0.00 0.10 0.00 0.53 0.00 0.00 43.42 44.05 3ksa n LEU 611 CO 0.00 -0.06 1.06 0.00 -1.11 0.00 0.00 177.39 177.28 3ksa h ALA 612 N 0.00 0.87 -0.26 1.96 0.00 -1.99 0.40 119.26 120.24 3ksa h ALA 612 Ca 0.00 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3ksa h ALA 612 Cb 0.33 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3ksa h ALA 612 CO 0.00 -0.03 0.12 0.00 0.00 0.00 0.00 179.25 179.35 3ksa h ARG 613 N 0.60 0.38 0.28 0.00 2.47 -1.98 -0.03 114.38 116.10 3ksa h ARG 613 Ca 0.30 -0.06 -0.00 0.00 -1.26 0.00 0.00 59.98 58.96 3ksa h ARG 613 Cb 0.25 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.49 3ksa h ARG 613 CO -0.22 0.38 -0.23 0.00 0.56 0.00 0.00 179.97 180.46 3ksa h ALA 614 N 0.98 -0.51 -0.34 0.04 0.00 -1.69 0.14 119.26 117.89 3ksa h ALA 614 Ca 0.09 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 54.99 3ksa h ALA 614 Cb 0.13 0.32 -0.07 0.00 0.00 0.00 0.00 17.79 18.16 3ksa h ALA 614 CO -0.01 -0.81 -0.16 1.49 0.00 0.00 0.00 179.25 179.76 3ksa h GLU 615 N -0.53 -0.10 -0.10 0.00 4.57 -0.89 0.17 114.58 117.70 3ksa h GLU 615 Ca -0.02 0.01 0.04 0.00 -1.18 0.00 0.00 59.36 58.21 3ksa h GLU 615 Cb 0.47 0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 29.03 3ksa h GLU 615 CO -0.02 -0.07 -0.26 -0.09 -1.18 0.00 0.00 179.01 177.39 3ksa h ARG 616 N -0.10 -0.34 0.18 1.92 2.43 -0.52 -1.06 114.38 116.89 3ksa h ARG 616 Ca 0.17 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.35 3ksa h ARG 616 Cb 0.36 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 3ksa h ARG 616 CO -0.40 -0.22 -0.09 -0.09 -1.51 0.00 0.00 179.97 177.66 3ksa h ARG 617 N -0.35 -0.23 -0.39 0.20 2.43 -0.15 -2.93 114.38 112.95 3ksa h ARG 617 Ca 0.09 0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.35 3ksa h ARG 617 Cb 0.49 0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 30.03 3ksa h ARG 617 CO -0.30 0.04 0.01 0.28 -1.51 0.00 0.00 179.97 178.49 3ksa h VAL 618 N -0.50 0.72 -0.05 0.20 2.07 -0.54 -1.80 116.25 116.36 3ksa h VAL 618 Ca -0.02 -0.04 0.01 0.00 0.82 0.00 0.00 66.70 67.47 3ksa h VAL 618 Cb 0.38 0.59 -0.00 0.00 -1.52 0.00 0.00 31.29 30.74 3ksa h VAL 618 CO 0.04 0.02 0.04 0.78 0.02 0.00 0.00 177.57 178.47 3ksa h ASN 619 N 0.12 0.00 0.27 0.57 2.35 -1.16 0.21 115.58 117.94 3ksa h ASN 619 Ca 0.19 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.93 3ksa h ASN 619 Cb 0.26 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.63 3ksa h ASN 619 CO -0.31 0.00 -0.13 0.58 -1.65 0.00 0.00 177.43 175.93 3ksa h VAL 620 N 0.00 0.16 0.72 2.81 2.07 -1.15 -1.51 116.25 119.34 3ksa h VAL 620 Ca 0.02 -0.80 -0.04 0.00 0.82 0.00 0.00 66.70 66.70 3ksa h VAL 620 Cb 0.10 0.27 0.01 0.00 -1.52 0.00 0.00 31.29 30.14 3ksa h VAL 620 CO -0.00 0.04 -0.34 -0.07 0.02 0.00 0.00 177.57 177.22 3ksa h LEU 621 N -1.07 -0.81 0.00 2.57 3.38 -1.26 -3.18 115.31 114.93 3ksa h LEU 621 Ca -0.04 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3ksa h LEU 621 Cb 0.35 0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.31 3ksa h LEU 621 CO 0.06 -0.56 0.00 0.23 0.09 0.00 0.00 178.44 178.26 3ksa n MET 622 N -4.73 0.31 0.00 1.13 2.81 0.73 -4.92 117.12 112.45 3ksa n MET 622 Ca -0.12 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.78 3ksa n MET 622 Cb 0.38 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.39 3ksa n MET 622 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3ksa n GLY 623 N 1.31 -2.97 0.00 3.03 0.00 -0.57 -4.53 105.19 101.46 3ksa n GLY 623 Ca 0.12 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.15 3ksa n GLY 623 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ksa n ASP 624 N 0.00 0.20 0.08 1.61 8.00 -1.26 -4.73 116.55 120.45 3ksa n ASP 624 Ca 0.00 -0.56 0.05 0.00 0.71 0.00 0.00 54.79 54.99 3ksa n ASP 624 Cb 0.00 0.61 -0.02 0.00 -0.02 0.00 0.00 41.12 41.69 3ksa n ASP 624 CO 0.00 0.00 0.00 0.07 -0.39 0.00 0.00 177.20 176.88 3ksa h LYS 625 N 0.00 0.00 0.00 -1.24 5.09 -1.89 -3.48 116.57 115.05 3ksa h LYS 625 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 3ksa h LYS 625 Cb 0.02 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.35 3ksa h LYS 625 CO 0.00 0.20 0.00 0.28 -2.09 0.00 0.00 179.45 177.84 3ksa n VAL 626 N -2.88 0.00 -0.33 0.07 0.31 -1.26 -4.50 118.33 109.74 3ksa n VAL 626 Ca -0.04 0.00 0.20 0.00 -0.01 0.00 0.00 64.34 64.50 3ksa n VAL 626 Cb 0.71 0.00 0.39 0.00 -0.91 0.00 0.00 33.84 34.03 3ksa n VAL 626 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3ksa h GLU 627 N 0.00 0.02 -0.02 5.55 3.07 -1.97 0.21 114.58 121.44 3ksa h GLU 627 Ca 0.00 -0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.83 3ksa h GLU 627 Cb 0.00 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3ksa h GLU 627 CO 0.00 0.02 -0.10 -1.35 -1.40 0.00 0.00 179.01 176.18 3ksa h PRO 628 N 0.02 0.10 -0.69 2.33 0.11 -1.94 -3.12 132.00 128.82 3ksa h PRO 628 Ca 0.68 -0.08 0.10 0.00 0.11 0.00 0.00 66.00 66.81 3ksa h PRO 628 Cb 1.57 0.02 -0.12 0.00 0.11 0.00 0.00 31.00 32.58 3ksa h PRO 628 CO -0.85 0.74 -0.43 -0.09 -0.21 0.00 0.00 178.00 177.16 3ksa h ARG 629 N -0.51 -0.16 -0.54 1.05 2.43 -1.03 0.75 114.38 116.36 3ksa h ARG 629 Ca -0.01 0.01 0.11 0.00 -0.81 0.00 0.00 59.98 59.28 3ksa h ARG 629 Cb 0.76 0.04 -0.10 0.00 -0.42 0.00 0.00 29.97 30.24 3ksa h ARG 629 CO 0.02 -0.11 -0.11 -0.09 -1.51 0.00 0.00 179.97 178.17 3ksa h ARG 630 N -0.16 0.02 -0.26 0.20 2.43 -0.76 0.01 114.38 115.85 3ksa h ARG 630 Ca 0.21 -0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.38 3ksa h ARG 630 Cb 0.55 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.09 3ksa h ARG 630 CO -0.76 0.01 0.17 -0.22 -1.51 0.00 0.00 179.97 177.66 3ksa h LYS 631 N 0.02 0.33 -0.99 0.20 3.64 -1.15 -0.65 116.57 117.96 3ksa h LYS 631 Ca 0.27 -0.02 0.16 0.00 -1.27 0.00 0.00 60.65 59.79 3ksa h LYS 631 Cb 0.41 -0.07 -0.09 0.00 -0.41 0.00 0.00 32.23 32.06 3ksa h LYS 631 CO -0.54 0.22 0.62 2.35 -2.27 0.00 0.00 179.45 179.82 3ksa h TRP 632 N 0.34 1.06 0.74 1.91 7.01 0.83 -0.15 115.95 127.68 3ksa h TRP 632 Ca 0.10 0.03 -0.04 0.00 2.11 0.00 0.00 58.89 61.10 3ksa h TRP 632 Cb -0.03 -0.33 0.01 0.00 -2.10 0.00 0.00 29.16 26.72 3ksa h TRP 632 CO -0.07 0.32 -0.35 0.82 -2.79 0.00 0.00 178.44 176.37 3ksa h ILE 633 N 0.83 0.00 -0.50 2.65 5.03 -0.04 -2.41 117.51 123.08 3ksa h ILE 633 Ca 0.54 -0.05 0.10 0.00 -0.12 0.00 0.00 64.86 65.32 3ksa h ILE 633 Cb 0.75 0.00 -0.10 0.00 -3.03 0.00 0.00 36.82 34.44 3ksa h ILE 633 CO -0.32 0.00 -0.28 -0.33 -0.68 0.00 0.00 178.15 176.55 3ksa h GLU 634 N -1.04 -0.16 0.00 2.37 5.08 -0.26 0.53 114.58 121.10 3ksa h GLU 634 Ca -0.10 0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.21 3ksa h GLU 634 Cb 0.76 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 3ksa h GLU 634 CO 0.17 -0.10 -0.26 -0.44 -1.00 0.00 0.00 179.01 177.37 3ksa h ASP 635 N -0.16 0.00 0.00 1.42 3.32 -1.14 -3.38 116.42 116.47 3ksa h ASP 635 Ca 0.22 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.27 3ksa h ASP 635 Cb 0.51 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.06 3ksa h ASP 635 CO -0.59 0.26 -0.74 0.59 -1.72 0.00 0.00 179.24 177.04 3ksa n ASN 636 N -3.71 3.60 -4.59 6.45 3.02 -0.58 -4.94 115.26 114.51 3ksa n ASN 636 Ca -0.01 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.12 3ksa n ASN 636 Cb 0.37 0.33 -0.03 0.00 -0.61 0.00 0.00 39.78 39.84 3ksa n ASN 636 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3ksa s VAL 637 N -1.74 3.39 -0.91 2.41 1.01 0.18 -4.94 120.40 119.80 3ksa s VAL 637 Ca 0.00 0.37 -0.25 0.00 0.00 0.00 0.00 61.98 62.10 3ksa s VAL 637 Cb 0.00 -3.62 0.04 0.00 0.00 0.00 0.00 36.38 32.80 3ksa s VAL 637 CO 0.00 -0.45 1.38 -1.59 0.00 0.00 0.00 175.10 174.44 3ksa s LYS 638 N 6.12 3.43 0.00 2.72 0.00 -1.26 -4.80 119.74 125.95 3ksa s LYS 638 Ca 0.80 -0.78 0.00 0.00 0.00 0.00 0.00 55.97 55.99 3ksa s LYS 638 Cb -0.21 -4.90 0.00 0.00 0.00 0.00 0.00 37.83 32.72 3ksa s LYS 638 CO 0.31 -2.19 0.94 1.19 0.00 0.00 0.00 175.35 175.61 3ksa n PHE 639 N 9.08 0.00 0.00 1.78 3.72 -1.26 -5.26 117.46 125.52 3ksa n PHE 639 Ca 0.21 -0.46 0.00 0.00 -0.05 0.00 0.00 57.45 57.16 3ksa n PHE 639 Cb 0.50 -0.24 0.00 0.00 -0.94 0.00 0.00 39.48 38.81 3ksa n PHE 639 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 176.76 174.34