#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wmk s ASP 423 N 0.00 6.63 0.46 4.52 1.01 -1.26 -4.64 116.67 123.39 2wmk s ASP 423 Ca 0.00 2.62 -0.24 0.00 0.71 0.00 0.00 52.55 55.64 2wmk s ASP 423 Cb 0.00 -2.61 -0.08 0.00 1.01 0.00 0.00 42.92 41.24 2wmk s ASP 423 CO 0.00 -0.76 1.36 0.29 0.21 0.00 0.00 175.17 176.27 2wmk n LYS 424 N 3.25 2.02 0.18 8.23 4.76 -1.26 -4.43 118.16 130.91 2wmk n LYS 424 Ca 0.11 0.72 0.06 0.00 -2.87 0.00 0.00 58.31 56.33 2wmk n LYS 424 Cb 0.39 -2.54 0.26 0.00 -1.84 0.00 0.00 35.03 31.30 2wmk n LYS 424 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2wmk h ARG 425 N 2.02 0.00 -3.47 1.97 3.08 -1.17 -3.46 114.38 113.35 2wmk h ARG 425 Ca -0.50 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.50 2wmk h ARG 425 Cb 1.29 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 31.22 2wmk h ARG 425 CO 0.60 0.36 -0.09 -0.98 -1.07 0.00 0.00 179.97 178.79 2wmk s ARG 426 N -3.37 1.21 0.01 0.04 1.70 -1.26 -5.06 118.95 112.22 2wmk s ARG 426 Ca 0.02 -0.87 -0.03 0.00 -0.47 0.00 0.00 55.73 54.37 2wmk s ARG 426 Cb 0.09 0.47 -0.04 0.00 -0.57 0.00 0.00 34.95 34.90 2wmk s ARG 426 CO 0.69 -0.48 0.22 -2.00 -1.08 0.00 0.00 175.30 172.65 2wmk s GLU 427 N -3.87 3.48 -0.13 3.89 2.56 -1.26 -5.08 118.70 118.30 2wmk s GLU 427 Ca 0.08 -0.26 -0.02 0.00 0.00 0.00 0.00 54.97 54.77 2wmk s GLU 427 Cb 0.01 -3.07 0.04 0.00 2.00 0.00 0.00 34.13 33.11 2wmk s GLU 427 CO -0.06 0.65 0.03 0.42 -0.56 0.00 0.00 175.26 175.73 2wmk s ILE 428 N -1.36 0.37 0.07 -3.70 1.01 -1.26 -4.85 121.20 111.48 2wmk s ILE 428 Ca 0.29 -0.15 -0.16 0.00 0.00 0.00 0.00 60.65 60.63 2wmk s ILE 428 Cb -0.13 -0.71 0.05 0.00 0.01 0.00 0.00 42.46 41.68 2wmk s ILE 428 CO 0.20 0.02 0.73 -0.46 0.00 0.00 0.00 174.94 175.43 2wmk n ASN 429 N 5.13 -1.00 -0.32 3.58 0.23 -0.83 -4.85 115.26 117.20 2wmk n ASN 429 Ca -0.08 -1.44 0.06 0.00 -0.53 0.00 0.00 54.58 52.60 2wmk n ASN 429 Cb 0.49 1.61 0.26 0.00 -2.08 0.00 0.00 39.78 40.06 2wmk n ASN 429 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 2wmk h ASN 430 N 1.29 0.88 1.78 0.53 -1.07 -1.90 0.29 115.58 117.37 2wmk h ASN 430 Ca -0.16 0.03 0.00 0.00 0.07 0.00 0.00 56.30 56.23 2wmk h ASN 430 Cb 0.77 -0.16 0.00 0.00 -2.07 0.00 0.00 38.32 36.87 2wmk h ASN 430 CO 0.22 0.52 0.00 -0.33 0.07 0.00 0.00 177.43 177.91 2wmk h GLU 431 N 0.97 0.00 -2.11 4.14 5.08 -1.91 -3.34 114.58 117.41 2wmk h GLU 431 Ca 0.44 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 58.22 2wmk h GLU 431 Cb 0.38 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 29.22 2wmk h GLU 431 CO -0.19 0.00 -0.83 0.72 -1.00 0.00 0.00 179.01 177.71 2wmk n HIS 432 N -2.75 1.92 -1.23 4.33 8.25 0.04 -4.99 115.22 120.79 2wmk n HIS 432 Ca 0.05 -3.90 -0.29 0.00 -0.26 0.00 0.00 57.72 53.32 2wmk n HIS 432 Cb 0.49 -0.47 0.20 0.00 1.12 0.00 0.00 29.99 31.33 2wmk n HIS 432 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2wmk s PRO 433 N -2.02 -0.25 -0.08 -0.41 0.04 -0.91 -1.96 135.00 129.42 2wmk s PRO 433 Ca 0.38 0.14 -0.00 0.00 0.04 0.00 0.00 61.00 61.56 2wmk s PRO 433 Cb 0.17 -1.69 0.02 0.00 0.04 0.00 0.00 34.50 33.05 2wmk s PRO 433 CO -0.06 -3.11 -0.04 -1.17 0.04 0.00 0.00 177.00 172.66 2wmk s LEU 434 N -6.59 0.97 -0.33 -3.56 2.96 0.08 -4.67 118.68 107.54 2wmk s LEU 434 Ca 0.68 -0.16 -0.08 0.00 -0.22 0.00 0.00 54.13 54.35 2wmk s LEU 434 Cb -0.13 -0.57 0.02 0.00 0.50 0.00 0.00 46.19 46.01 2wmk s LEU 434 CO 0.56 -0.13 0.13 -0.22 -1.32 0.00 0.00 176.35 175.37 2wmk s LEU 435 N 1.59 4.26 0.21 -0.68 2.96 0.51 -1.14 118.68 126.39 2wmk s LEU 435 Ca 0.00 -0.90 -0.30 0.00 -0.22 0.00 0.00 54.13 52.71 2wmk s LEU 435 Cb -0.13 -1.93 -0.08 0.00 0.50 0.00 0.00 46.19 44.55 2wmk s LEU 435 CO -0.04 -0.29 1.09 -0.04 -1.32 0.00 0.00 176.35 175.75 2wmk s MET 436 N 1.50 4.62 -0.52 1.98 -1.94 -0.29 -2.03 119.30 122.62 2wmk s MET 436 Ca 0.01 1.73 0.04 0.00 -1.71 0.00 0.00 55.69 55.76 2wmk s MET 436 Cb -0.18 -3.25 0.13 0.00 2.01 0.00 0.00 34.83 33.53 2wmk s MET 436 CO 0.04 0.14 0.26 -1.64 -0.01 0.00 0.00 175.02 173.81 2wmk s MET 437 N -0.69 1.95 0.43 2.03 1.00 -0.38 -4.67 119.30 118.97 2wmk s MET 437 Ca 0.48 -2.61 -0.24 0.00 0.00 0.00 0.00 55.69 53.32 2wmk s MET 437 Cb -0.30 -3.28 -0.08 0.00 0.00 0.00 0.00 34.83 31.18 2wmk s MET 437 CO 0.36 -1.11 1.15 -1.25 0.00 0.00 0.00 175.02 174.17 2wmk s PRO 438 N -0.28 3.91 -0.14 2.03 0.04 -1.26 -1.26 135.00 138.03 2wmk s PRO 438 Ca 0.17 1.75 -0.03 0.00 0.04 0.00 0.00 61.00 62.93 2wmk s PRO 438 Cb -0.26 -2.51 0.05 0.00 0.04 0.00 0.00 34.50 31.83 2wmk s PRO 438 CO -0.00 -0.42 0.04 -0.51 0.04 0.00 0.00 177.00 176.15 2wmk s LEU 439 N -2.81 0.74 -0.28 -3.56 1.43 0.22 -4.88 118.68 109.55 2wmk s LEU 439 Ca 0.61 -0.50 -0.15 0.00 -1.03 0.00 0.00 54.13 53.06 2wmk s LEU 439 Cb -0.28 -0.43 -0.03 0.00 0.03 0.00 0.00 46.19 45.47 2wmk s LEU 439 CO 0.35 -0.28 0.37 -0.31 0.23 0.00 0.00 176.35 176.71 2wmk s TYR 440 N 1.98 3.24 0.24 0.29 1.51 -1.26 -0.73 117.35 122.61 2wmk s TYR 440 Ca 0.02 0.34 -0.31 0.00 -1.01 0.00 0.00 57.07 56.11 2wmk s TYR 440 Cb -0.15 -2.59 -0.13 0.00 -0.11 0.00 0.00 41.96 38.98 2wmk s TYR 440 CO -0.07 -0.26 1.51 0.00 -1.11 0.00 0.00 175.55 175.61 2wmk n ALA 441 N 5.35 1.63 -2.82 3.71 0.00 0.40 -1.24 120.51 127.54 2wmk n ALA 441 Ca -0.09 0.41 -0.43 0.00 0.00 0.00 0.00 53.44 53.33 2wmk n ALA 441 Cb 0.51 -2.35 -0.03 0.00 0.00 0.00 0.00 19.45 17.57 2wmk n ALA 441 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2wmk s ASN 442 N 0.51 6.26 0.27 0.00 3.84 0.05 -3.88 114.94 122.00 2wmk s ASN 442 Ca 0.70 -1.12 0.01 0.00 0.21 0.00 0.00 52.86 52.66 2wmk s ASN 442 Cb -0.61 -2.44 0.38 0.00 -0.55 0.00 0.00 41.25 38.04 2wmk s ASN 442 CO 0.46 -1.43 1.72 1.23 -2.79 0.00 0.00 177.10 176.28 2wmk h GLY 443 N 11.48 0.58 0.99 1.21 0.00 -1.88 -0.40 103.07 115.05 2wmk h GLY 443 Ca -0.19 -0.47 -0.03 0.00 0.00 0.00 0.00 47.33 46.65 2wmk h GLY 443 CO 1.20 0.43 0.26 0.83 0.00 0.00 0.00 176.54 179.25 2wmk h GLU 444 N 0.48 0.86 0.00 4.80 5.08 -1.91 -2.07 114.58 121.81 2wmk h GLU 444 Ca 0.07 -0.14 -0.15 0.00 -1.00 0.00 0.00 59.36 58.15 2wmk h GLU 444 Cb 0.66 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 2wmk h GLU 444 CO 0.05 0.72 -0.69 0.93 -1.00 0.00 0.00 179.01 179.01 2wmk h GLU 445 N 0.80 0.00 -0.94 2.33 5.08 -1.84 -2.81 114.58 117.20 2wmk h GLU 445 Ca 0.20 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.60 2wmk h GLU 445 Cb 0.16 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.35 2wmk h GLU 445 CO -0.02 0.69 0.62 0.35 -1.00 0.00 0.00 179.01 179.65 2wmk h PHE 446 N 0.00 1.13 0.00 4.33 3.57 -0.78 -0.75 116.94 124.44 2wmk h PHE 446 Ca -0.01 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 2wmk h PHE 446 Cb 1.33 -0.38 -0.00 0.00 2.79 0.00 0.00 35.95 39.70 2wmk h PHE 446 CO 0.00 0.63 -0.01 -0.91 -2.23 0.00 0.00 178.31 175.80 2wmk h ASN 447 N 1.15 0.00 -0.31 0.41 2.35 -1.11 -1.20 115.58 116.87 2wmk h ASN 447 Ca 0.39 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.14 2wmk h ASN 447 Cb 0.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.44 2wmk h ASN 447 CO -0.13 0.01 0.00 0.00 -1.65 0.00 0.00 177.43 175.66 2wmk n GLN 448 N -3.21 2.31 -0.84 0.81 6.02 -0.39 -4.95 117.38 117.13 2wmk n GLN 448 Ca -0.03 -1.97 0.00 0.00 -0.01 0.00 0.00 57.00 55.00 2wmk n GLN 448 Cb 0.10 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 29.88 2wmk n GLN 448 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2wmk n GLY 449 N 1.41 0.52 3.90 1.08 0.00 -0.45 -5.06 105.19 106.58 2wmk n GLY 449 Ca 0.18 -0.53 -0.25 0.00 0.00 0.00 0.00 46.02 45.41 2wmk n GLY 449 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wmk s LYS 450 N -1.04 3.25 -0.45 1.61 1.02 -0.58 -5.00 119.74 118.55 2wmk s LYS 450 Ca 0.00 -0.72 0.03 0.00 0.02 0.00 0.00 55.97 55.30 2wmk s LYS 450 Cb 0.00 -2.84 0.12 0.00 -0.52 0.00 0.00 37.83 34.59 2wmk s LYS 450 CO 0.00 0.49 0.19 0.71 -0.92 0.00 0.00 175.35 175.82 2wmk s TYR 451 N -1.79 3.46 0.21 3.18 2.02 -1.26 -3.32 117.35 119.84 2wmk s TYR 451 Ca 0.33 -3.03 -0.01 0.00 -0.37 0.00 0.00 57.07 53.99 2wmk s TYR 451 Cb -0.10 -2.92 -0.04 0.00 -0.40 0.00 0.00 41.96 38.50 2wmk s TYR 451 CO 0.27 -0.84 0.12 0.95 -1.57 0.00 0.00 175.55 174.48 2wmk s THR 452 N 0.28 0.09 0.06 -0.71 -4.23 -1.26 -5.06 115.64 104.81 2wmk s THR 452 Ca 0.14 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 58.75 2wmk s THR 452 Cb -0.23 -2.51 -0.03 0.00 1.34 0.00 0.00 72.50 71.07 2wmk s THR 452 CO -0.04 -0.01 -0.26 -0.36 -0.54 0.00 0.00 174.62 173.41 2wmk s PHE 453 N -4.10 2.29 0.18 3.99 0.08 -1.26 -0.77 117.98 118.39 2wmk s PHE 453 Ca 0.39 -0.41 -0.33 0.00 0.12 0.00 0.00 56.93 56.70 2wmk s PHE 453 Cb 0.07 -1.35 -0.13 0.00 -0.57 0.00 0.00 43.02 41.04 2wmk s PHE 453 CO 0.12 0.16 1.63 0.91 -0.10 0.00 0.00 175.22 177.94 2wmk n TRP 454 N 1.64 2.47 0.00 0.36 7.02 -0.37 -1.60 117.44 126.95 2wmk n TRP 454 Ca -0.17 0.19 0.00 0.00 -1.02 0.00 0.00 57.50 56.50 2wmk n TRP 454 Cb 0.52 -2.59 0.00 0.00 -2.42 0.00 0.00 31.31 26.82 2wmk n TRP 454 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2wmk n GLY 455 N 3.56 0.61 2.37 6.99 0.00 -1.26 -4.59 105.19 112.86 2wmk n GLY 455 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2wmk n GLY 455 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wmk n GLY 456 N -2.00 0.80 3.73 -0.02 0.00 -0.63 -0.45 105.19 106.62 2wmk n GLY 456 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 2wmk n GLY 456 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wmk s ASP 457 N -2.63 4.57 0.19 1.61 1.01 -1.26 -4.09 116.67 116.07 2wmk s ASP 457 Ca 0.00 2.55 0.09 0.00 0.71 0.00 0.00 52.55 55.90 2wmk s ASP 457 Cb 0.00 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.28 2wmk s ASP 457 CO 0.00 -2.02 -0.12 0.42 0.21 0.00 0.00 175.17 173.65 2wmk s THR 458 N -1.53 3.02 0.11 -1.27 -4.23 -1.26 -4.18 115.64 106.29 2wmk s THR 458 Ca 0.80 -1.76 -0.21 0.00 -1.18 0.00 0.00 61.69 59.34 2wmk s THR 458 Cb -0.35 -2.49 -0.10 0.00 1.34 0.00 0.00 72.50 70.89 2wmk s THR 458 CO 0.40 -0.13 1.76 0.25 -0.54 0.00 0.00 174.62 176.36 2wmk h LEU 459 N 2.91 0.10 -0.17 4.79 6.46 -1.97 0.11 115.31 127.55 2wmk h LEU 459 Ca -0.46 0.00 -0.08 0.00 -0.12 0.00 0.00 57.88 57.22 2wmk h LEU 459 Cb 1.21 -0.02 -0.00 0.00 -0.73 0.00 0.00 40.66 41.12 2wmk h LEU 459 CO 0.53 0.07 -0.19 0.74 -0.62 0.00 0.00 178.44 178.97 2wmk h THR 460 N 0.13 1.34 -0.57 1.05 2.02 -1.96 -2.30 112.91 112.62 2wmk h THR 460 Ca 0.04 -1.37 0.03 0.00 0.77 0.00 0.00 66.41 65.87 2wmk h THR 460 Cb -0.00 1.86 -0.04 0.00 -1.74 0.00 0.00 68.15 68.22 2wmk h THR 460 CO -0.02 0.41 0.34 1.23 0.37 0.00 0.00 175.52 177.85 2wmk h GLY 461 N 0.07 0.81 0.85 2.16 0.00 -1.95 -0.68 103.07 104.33 2wmk h GLY 461 Ca 0.02 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.09 2wmk h GLY 461 CO 0.05 0.21 0.05 1.70 0.00 0.00 0.00 176.54 178.55 2wmk h LYS 462 N 0.67 0.21 -0.37 4.80 1.63 -0.79 -2.13 116.57 120.60 2wmk h LYS 462 Ca 0.23 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.98 2wmk h LYS 462 Cb 0.03 -0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 31.61 2wmk h LYS 462 CO -0.10 0.33 0.21 2.35 -3.45 0.00 0.00 179.45 178.80 2wmk h TRP 463 N 0.05 0.51 -0.98 1.91 2.91 -1.26 -2.50 115.95 116.59 2wmk h TRP 463 Ca 0.04 -0.01 0.09 0.00 1.13 0.00 0.00 58.89 60.15 2wmk h TRP 463 Cb 0.21 -0.16 -0.07 0.00 -0.51 0.00 0.00 29.16 28.62 2wmk h TRP 463 CO -0.00 0.39 0.62 0.93 -1.03 0.00 0.00 178.44 179.34 2wmk h GLU 464 N 0.48 1.03 0.00 2.65 5.08 -1.01 -1.71 114.58 121.10 2wmk h GLU 464 Ca 0.13 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 2wmk h GLU 464 Cb 0.04 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.06 2wmk h GLU 464 CO -0.02 0.68 -0.04 -0.97 -1.00 0.00 0.00 179.01 177.66 2wmk h ASN 465 N 1.06 0.00 -2.76 1.42 -1.24 -0.97 -3.44 115.58 109.65 2wmk h ASN 465 Ca 0.45 0.00 -0.54 0.00 0.71 0.00 0.00 56.30 56.93 2wmk h ASN 465 Cb 0.32 0.00 0.02 0.00 0.73 0.00 0.00 38.32 39.38 2wmk h ASN 465 CO -0.22 0.04 0.94 -0.63 -1.29 0.00 0.00 177.43 176.27 2wmk s ILE 466 N -3.80 3.20 0.27 2.57 1.01 -0.64 -4.92 121.20 118.89 2wmk s ILE 466 Ca -0.00 0.66 -0.29 0.00 0.00 0.00 0.00 60.65 61.01 2wmk s ILE 466 Cb 0.10 -3.42 -0.14 0.00 0.01 0.00 0.00 42.46 39.01 2wmk s ILE 466 CO 0.54 0.00 1.09 -2.65 0.00 0.00 0.00 174.94 173.92 2wmk n PRO 467 N 5.38 1.45 -0.20 2.79 -0.02 -1.26 -4.77 135.00 138.36 2wmk n PRO 467 Ca 0.15 0.51 0.13 0.00 -2.02 0.00 0.00 63.50 62.27 2wmk n PRO 467 Cb 0.41 -1.94 0.44 0.00 -0.02 0.00 0.00 33.50 32.39 2wmk n PRO 467 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2wmk h ASP 468 N 2.44 0.52 0.38 2.55 3.32 -1.92 0.44 116.42 124.15 2wmk h ASP 468 Ca -0.41 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 56.64 2wmk h ASP 468 Cb 1.33 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 40.80 2wmk h ASP 468 CO 0.63 0.28 -0.11 -2.24 -1.72 0.00 0.00 179.24 176.08 2wmk h ASP 469 N 0.56 0.00 0.88 6.45 2.03 -2.03 -3.02 116.42 121.29 2wmk h ASP 469 Ca 0.39 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 56.67 2wmk h ASP 469 Cb 0.71 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.21 2wmk h ASP 469 CO -0.15 0.11 -1.14 0.18 -1.03 0.00 0.00 179.24 177.22 2wmk n LEU 470 N -3.63 0.78 -0.28 0.15 4.77 0.11 -4.48 117.00 114.43 2wmk n LEU 470 Ca -0.02 0.31 0.12 0.00 -0.03 0.00 0.00 56.01 56.39 2wmk n LEU 470 Cb 0.24 -0.04 0.38 0.00 -2.33 0.00 0.00 43.42 41.67 2wmk n LEU 470 CO 0.30 -0.13 1.22 0.11 -1.33 0.00 0.00 177.39 177.55 2wmk h LYS 471 N 0.00 0.66 0.00 3.23 1.57 -1.33 0.49 116.57 121.19 2wmk h LYS 471 Ca -0.02 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2wmk h LYS 471 Cb 1.07 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.23 2wmk h LYS 471 CO 0.01 0.44 0.00 -2.30 -0.57 0.00 0.00 179.45 177.02 2wmk n PRO 472 N -4.57 0.22 -0.01 3.15 -0.02 -1.26 -3.34 135.00 129.17 2wmk n PRO 472 Ca 0.18 0.12 0.01 0.00 -2.02 0.00 0.00 63.50 61.79 2wmk n PRO 472 Cb 0.49 -1.50 0.01 0.00 -0.02 0.00 0.00 33.50 32.48 2wmk n PRO 472 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2wmk n TYR 473 N -1.32 0.00 -4.45 6.00 4.01 0.15 -5.01 117.16 116.54 2wmk n TYR 473 Ca 0.08 -0.50 -0.21 0.00 -0.16 0.00 0.00 57.90 57.11 2wmk n TYR 473 Cb 0.16 -0.05 -0.16 0.00 -0.31 0.00 0.00 39.34 38.98 2wmk n TYR 473 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2wmk s THR 474 N -1.05 0.88 -0.01 -0.72 2.01 -1.13 -0.37 115.64 115.26 2wmk s THR 474 Ca 0.02 -0.40 0.02 0.00 0.31 0.00 0.00 61.69 61.64 2wmk s THR 474 Cb 0.02 -0.79 -0.00 0.00 0.01 0.00 0.00 72.50 71.74 2wmk s THR 474 CO 0.00 0.28 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.45 2wmk s VAL 475 N 0.28 0.52 -0.05 3.82 1.01 -0.86 -4.88 120.40 120.24 2wmk s VAL 475 Ca -0.05 -0.27 -0.30 0.00 0.00 0.00 0.00 61.98 61.36 2wmk s VAL 475 Cb -0.10 -0.45 -0.04 0.00 0.00 0.00 0.00 36.38 35.79 2wmk s VAL 475 CO 0.01 0.15 1.26 -0.63 0.00 0.00 0.00 175.10 175.90 2wmk s ILE 476 N -0.06 4.09 -0.38 2.22 -1.09 -0.96 -1.25 121.20 123.76 2wmk s ILE 476 Ca 0.01 1.43 -0.07 0.00 -2.23 0.00 0.00 60.65 59.80 2wmk s ILE 476 Cb -0.04 -3.92 0.07 0.00 -1.58 0.00 0.00 42.46 36.99 2wmk s ILE 476 CO -0.00 -0.01 0.19 -1.58 -1.23 0.00 0.00 174.94 172.30 2wmk s GLN 477 N 2.35 2.51 0.32 2.79 0.74 -0.39 0.12 119.66 128.11 2wmk s GLN 477 Ca 0.58 -1.41 -0.27 0.00 0.05 0.00 0.00 55.36 54.32 2wmk s GLN 477 Cb -0.26 -3.61 -0.09 0.00 1.10 0.00 0.00 33.01 30.14 2wmk s GLN 477 CO 0.23 -0.86 1.01 -0.51 -0.55 0.00 0.00 175.29 174.61 2wmk s LEU 478 N 1.37 4.37 -0.02 3.68 1.43 -0.35 -0.61 118.68 128.56 2wmk s LEU 478 Ca 0.02 2.00 0.01 0.00 -1.03 0.00 0.00 54.13 55.13 2wmk s LEU 478 Cb -0.22 -3.93 0.01 0.00 0.03 0.00 0.00 46.19 42.09 2wmk s LEU 478 CO 0.01 -0.18 -0.03 -2.28 0.23 0.00 0.00 176.35 174.10 2wmk s HIS 479 N -1.47 0.42 -1.42 0.29 2.46 0.09 -1.44 115.29 114.21 2wmk s HIS 479 Ca 0.50 -0.07 0.29 0.00 0.47 0.00 0.00 55.06 56.25 2wmk s HIS 479 Cb -0.23 -0.35 1.28 0.00 -0.13 0.00 0.00 32.58 33.15 2wmk s HIS 479 CO 0.30 -0.07 1.91 -0.35 -2.47 0.00 0.00 174.74 174.06 2wmk n PRO 480 N 3.44 0.43 0.00 2.88 -0.04 -1.26 -0.46 135.00 140.00 2wmk n PRO 480 Ca -0.19 -0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.18 2wmk n PRO 480 Cb 0.55 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 2wmk n PRO 480 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2wmk n ASP 481 N -1.20 0.00 -1.86 3.54 2.03 -1.26 -1.06 116.55 116.74 2wmk n ASP 481 Ca 0.13 0.00 -0.18 0.00 0.52 0.00 0.00 54.79 55.26 2wmk n ASP 481 Cb 0.28 0.00 0.18 0.00 -0.72 0.00 0.00 41.12 40.86 2wmk n ASP 481 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 2wmk n ASP 482 N 2.04 3.49 -4.62 1.67 5.75 -1.25 -4.73 116.55 118.91 2wmk n ASP 482 Ca 0.00 -3.69 -0.38 0.00 -0.01 0.00 0.00 54.79 50.71 2wmk n ASP 482 Cb 0.00 -0.77 0.05 0.00 -1.03 0.00 0.00 41.12 39.37 2wmk n ASP 482 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2wmk n LEU 483 N -1.13 3.67 -4.61 -2.12 4.77 -0.22 -4.28 117.00 113.09 2wmk n LEU 483 Ca 0.50 0.82 -0.45 0.00 -0.03 0.00 0.00 56.01 56.85 2wmk n LEU 483 Cb 1.39 -1.39 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 2wmk n LEU 483 CO 0.47 -1.82 0.70 -2.65 -1.33 0.00 0.00 177.39 172.75 2wmk n PRO 484 N -0.96 1.49 -2.78 3.23 -0.02 -1.26 -4.35 135.00 130.35 2wmk n PRO 484 Ca 0.13 0.52 -0.44 0.00 -2.02 0.00 0.00 63.50 61.70 2wmk n PRO 484 Cb 0.47 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 2wmk n PRO 484 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2wmk n LYS 485 N 1.13 3.43 -3.84 -0.52 5.02 -1.26 -4.42 118.16 117.70 2wmk n LYS 485 Ca 0.11 -3.75 -0.06 0.00 -2.02 0.00 0.00 58.31 52.58 2wmk n LYS 485 Cb 0.31 -3.02 -0.02 0.00 -0.02 0.00 0.00 35.03 32.28 2wmk n LYS 485 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 2wmk s ARG 486 N 1.29 1.67 0.35 1.97 1.70 -1.26 -4.95 118.95 119.72 2wmk s ARG 486 Ca 0.42 -0.92 -0.28 0.00 -0.47 0.00 0.00 55.73 54.48 2wmk s ARG 486 Cb 0.01 0.57 -0.10 0.00 -0.57 0.00 0.00 34.95 34.85 2wmk s ARG 486 CO 0.00 -0.76 1.36 0.34 -1.08 0.00 0.00 175.30 175.16 2wmk s ASP 487 N -2.93 6.62 0.00 -2.89 2.15 -1.26 -3.64 116.67 114.72 2wmk s ASP 487 Ca 0.11 2.80 0.00 0.00 0.43 0.00 0.00 52.55 55.89 2wmk s ASP 487 Cb -0.05 -2.65 0.00 0.00 -0.30 0.00 0.00 42.92 39.92 2wmk s ASP 487 CO 0.06 -0.65 0.00 0.61 -0.17 0.00 0.00 175.17 175.02 2wmk n GLY 488 N 0.69 2.92 0.30 2.66 0.00 -1.26 -4.93 105.19 105.57 2wmk n GLY 488 Ca 0.00 -0.42 -0.14 0.00 0.00 0.00 0.00 46.02 45.47 2wmk n GLY 488 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wmk h ALA 489 N 0.00 -0.56 -0.37 4.61 0.00 -1.85 -0.05 119.26 121.04 2wmk h ALA 489 Ca 0.00 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.70 2wmk h ALA 489 Cb 0.00 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2wmk h ALA 489 CO 0.00 -0.85 -0.28 0.00 0.00 0.00 0.00 179.25 178.13 2wmk h ALA 490 N 0.06 0.81 -0.36 0.00 0.00 -1.83 -1.61 119.26 116.33 2wmk h ALA 490 Ca -0.01 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 2wmk h ALA 490 Cb 0.53 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2wmk h ALA 490 CO -0.06 0.64 0.22 0.00 0.00 0.00 0.00 179.25 180.06 2wmk h ARG 491 N 0.67 0.49 0.30 0.00 3.08 -1.78 -0.20 114.38 116.93 2wmk h ARG 491 Ca 0.08 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.09 2wmk h ARG 491 Cb 0.80 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.72 2wmk h ARG 491 CO 0.07 0.35 -0.34 0.22 -1.07 0.00 0.00 179.97 179.21 2wmk h ASP 492 N 0.48 -0.92 -0.43 7.04 1.82 -0.88 0.09 116.42 123.61 2wmk h ASP 492 Ca 0.13 0.09 0.00 0.00 -0.39 0.00 0.00 57.03 56.86 2wmk h ASP 492 Cb -0.01 0.32 -0.02 0.00 0.68 0.00 0.00 39.33 40.30 2wmk h ASP 492 CO -0.03 -0.47 0.29 0.15 -1.61 0.00 0.00 179.24 177.58 2wmk h PHE 493 N -0.68 0.55 -0.43 0.28 3.57 -1.24 -1.58 116.94 117.41 2wmk h PHE 493 Ca -0.01 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.43 2wmk h PHE 493 Cb 0.63 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 2wmk h PHE 493 CO -0.22 0.34 -0.02 1.88 -2.23 0.00 0.00 178.31 178.06 2wmk h TYR 494 N 0.59 0.85 -0.47 0.41 0.05 -0.94 -1.99 116.97 115.46 2wmk h TYR 494 Ca 0.16 -0.16 -0.07 0.00 0.05 0.00 0.00 58.73 58.71 2wmk h TYR 494 Cb -0.07 -0.22 -0.02 0.00 1.01 0.00 0.00 36.73 37.43 2wmk h TYR 494 CO -0.05 0.85 -0.00 0.93 -1.05 0.00 0.00 178.16 178.84 2wmk h GLU 495 N 0.60 0.78 -0.21 4.88 5.08 -0.85 0.55 114.58 125.43 2wmk h GLU 495 Ca 0.12 -0.21 0.02 0.00 -1.00 0.00 0.00 59.36 58.29 2wmk h GLU 495 Cb 0.52 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 2wmk h GLU 495 CO 0.03 0.79 0.07 1.25 -1.00 0.00 0.00 179.01 180.15 2wmk h HIS 496 N 0.73 0.13 -0.12 4.33 2.76 -1.08 -1.90 115.15 120.01 2wmk h HIS 496 Ca 0.14 0.01 -0.17 0.00 -2.20 0.00 0.00 60.37 58.15 2wmk h HIS 496 Cb 0.45 -0.03 -0.01 0.00 1.55 0.00 0.00 27.41 29.37 2wmk h HIS 496 CO 0.02 0.07 -0.65 0.52 -1.30 0.00 0.00 177.93 176.59 2wmk h MET 497 N 0.17 0.45 -0.74 5.26 2.86 -1.07 -1.80 114.93 120.07 2wmk h MET 497 Ca 0.09 -0.33 -0.06 0.00 -2.06 0.00 0.00 59.70 57.34 2wmk h MET 497 Cb 0.05 0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.74 2wmk h MET 497 CO -0.09 0.95 0.22 -0.07 1.06 0.00 0.00 176.91 178.99 2wmk h LEU 498 N 0.33 1.08 -0.02 1.22 3.38 -0.81 0.13 115.31 120.63 2wmk h LEU 498 Ca -0.01 -0.21 0.02 0.00 0.09 0.00 0.00 57.88 57.76 2wmk h LEU 498 Cb 1.21 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 2wmk h LEU 498 CO 0.11 1.00 -0.08 -0.33 0.09 0.00 0.00 178.44 179.24 2wmk h GLU 499 N 1.10 -0.13 -0.48 1.13 4.39 -1.28 0.83 114.58 120.14 2wmk h GLU 499 Ca 0.24 0.01 0.08 0.00 0.34 0.00 0.00 59.36 60.02 2wmk h GLU 499 Cb 0.32 0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 28.94 2wmk h GLU 499 CO -0.01 -0.09 0.13 1.49 -1.16 0.00 0.00 179.01 179.38 2wmk h GLU 500 N -0.13 0.27 -0.37 2.33 4.81 -0.80 -1.41 114.58 119.28 2wmk h GLU 500 Ca 0.04 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 2wmk h GLU 500 Cb 0.18 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 2wmk h GLU 500 CO -0.10 0.18 0.20 0.00 -0.73 0.00 0.00 179.01 178.56 2wmk h ALA 501 N 1.35 0.47 -0.45 2.92 0.00 -0.60 -2.86 119.26 120.10 2wmk h ALA 501 Ca 0.24 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 2wmk h ALA 501 Cb 0.29 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2wmk h ALA 501 CO -0.28 0.01 0.10 0.00 0.00 0.00 0.00 179.25 179.07 2wmk h ALA 502 N 1.06 1.34 -0.04 0.00 0.00 -0.41 -0.56 119.26 120.64 2wmk h ALA 502 Ca 0.13 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2wmk h ALA 502 Cb 0.07 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2wmk h ALA 502 CO -0.02 0.47 0.00 1.63 0.00 0.00 0.00 179.25 181.33 2wmk n LYS 503 N -4.30 1.79 -1.71 0.00 4.76 -0.57 -4.28 118.16 113.85 2wmk n LYS 503 Ca 0.03 -1.14 -0.42 0.00 -2.87 0.00 0.00 58.31 53.90 2wmk n LYS 503 Cb 0.21 -1.47 -0.01 0.00 -1.84 0.00 0.00 35.03 31.93 2wmk n LYS 503 CO 0.00 0.00 0.00 0.98 -1.37 0.00 0.00 177.40 177.01 2wmk n TYR 504 N 0.39 2.36 -4.09 2.13 9.36 -1.09 -4.89 117.16 121.32 2wmk n TYR 504 Ca 0.18 0.53 -0.32 0.00 3.32 0.00 0.00 57.90 61.61 2wmk n TYR 504 Cb 0.39 -2.43 -0.16 0.00 -0.63 0.00 0.00 39.34 36.52 2wmk n TYR 504 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 2wmk s VAL 505 N -1.05 2.11 -0.43 2.97 1.01 -1.26 -1.58 120.40 122.17 2wmk s VAL 505 Ca 0.56 -1.28 -0.27 0.00 0.00 0.00 0.00 61.98 60.99 2wmk s VAL 505 Cb -0.56 -2.06 -0.06 0.00 0.00 0.00 0.00 36.38 33.70 2wmk s VAL 505 CO 0.62 0.26 2.29 0.21 0.00 0.00 0.00 175.10 178.47 2wmk s ASN 506 N 1.20 4.82 0.00 3.32 3.84 -0.61 -4.81 114.94 122.69 2wmk s ASN 506 Ca -0.02 1.23 0.22 0.00 0.21 0.00 0.00 52.86 54.49 2wmk s ASN 506 Cb -0.16 -2.51 1.25 0.00 -0.55 0.00 0.00 41.25 39.28 2wmk s ASN 506 CO -0.09 -2.56 1.68 -0.81 -2.79 0.00 0.00 177.10 172.53 2wmk n PRO 507 N 8.94 0.60 -0.27 0.43 -0.04 -1.26 0.11 135.00 143.52 2wmk n PRO 507 Ca 0.33 0.02 0.08 0.00 -0.04 0.00 0.00 63.50 63.89 2wmk n PRO 507 Cb 0.52 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.69 2wmk n PRO 507 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2wmk n LYS 508 N -1.06 2.89 0.00 0.54 2.85 -1.26 -4.48 118.16 117.63 2wmk n LYS 508 Ca 0.15 -2.31 0.00 0.00 -1.05 0.00 0.00 58.31 55.10 2wmk n LYS 508 Cb 0.09 -1.41 0.00 0.00 -0.65 0.00 0.00 35.03 33.06 2wmk n LYS 508 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 2wmk n THR 509 N 0.81 0.00 -0.96 0.58 -2.24 -0.18 -5.03 114.28 107.25 2wmk n THR 509 Ca 0.16 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.94 2wmk n THR 509 Cb 0.53 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.76 2wmk n THR 509 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wmk n GLY 510 N 0.00 0.26 3.78 3.38 0.00 0.31 -5.00 105.19 107.92 2wmk n GLY 510 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 2wmk n GLY 510 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wmk s LYS 511 N -1.01 4.50 -0.17 1.61 1.02 -1.24 -4.82 119.74 119.63 2wmk s LYS 511 Ca 0.00 1.08 -0.29 0.00 0.02 0.00 0.00 55.97 56.78 2wmk s LYS 511 Cb 0.00 -3.28 -0.05 0.00 -0.52 0.00 0.00 37.83 33.99 2wmk s LYS 511 CO 0.00 0.53 1.83 1.21 -0.92 0.00 0.00 175.35 178.00 2wmk s ASN 512 N -0.93 6.17 -0.43 2.83 2.47 -1.26 -1.58 114.94 122.21 2wmk s ASN 512 Ca 0.35 1.91 0.02 0.00 0.42 0.00 0.00 52.86 55.56 2wmk s ASN 512 Cb -0.22 -2.53 0.13 0.00 -1.45 0.00 0.00 41.25 37.18 2wmk s ASN 512 CO 0.25 -1.38 0.23 -1.61 -3.72 0.00 0.00 177.10 170.86 2wmk s GLU 513 N 5.03 1.30 0.06 0.43 2.02 -0.62 -4.95 118.70 121.96 2wmk s GLU 513 Ca 0.82 -1.98 -0.37 0.00 0.02 0.00 0.00 54.97 53.46 2wmk s GLU 513 Cb -0.31 -2.39 -0.17 0.00 0.10 0.00 0.00 34.13 31.36 2wmk s GLU 513 CO 0.33 -1.14 1.33 -2.30 0.02 0.00 0.00 175.26 173.50 2wmk n PRO 514 N 3.61 1.03 -2.55 0.39 -0.02 -1.26 -4.62 135.00 131.58 2wmk n PRO 514 Ca 0.08 0.37 -0.42 0.00 -2.02 0.00 0.00 63.50 61.50 2wmk n PRO 514 Cb 0.35 -2.00 -0.03 0.00 -0.02 0.00 0.00 33.50 31.80 2wmk n PRO 514 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2wmk s ILE 515 N 0.57 4.45 0.32 4.25 1.01 -0.23 -4.98 121.20 126.60 2wmk s ILE 515 Ca 0.86 1.75 -0.28 0.00 0.00 0.00 0.00 60.65 62.98 2wmk s ILE 515 Cb -0.99 -4.13 -0.10 0.00 0.01 0.00 0.00 42.46 37.26 2wmk s ILE 515 CO 0.49 0.05 1.17 -2.16 0.00 0.00 0.00 174.94 174.49 2wmk s PRO 516 N 1.70 4.42 0.03 2.79 0.04 -1.26 -4.68 135.00 138.04 2wmk s PRO 516 Ca 0.54 1.91 0.02 0.00 0.04 0.00 0.00 61.00 63.51 2wmk s PRO 516 Cb -0.23 -3.02 -0.02 0.00 0.04 0.00 0.00 34.50 31.27 2wmk s PRO 516 CO 0.24 -0.02 -0.08 0.08 0.04 0.00 0.00 177.00 177.26 2wmk s VAL 517 N -1.23 0.59 -0.02 -0.36 1.01 0.01 -2.27 120.40 118.12 2wmk s VAL 517 Ca 0.49 -0.83 0.07 0.00 0.00 0.00 0.00 61.98 61.70 2wmk s VAL 517 Cb -0.33 -0.60 -0.02 0.00 0.00 0.00 0.00 36.38 35.44 2wmk s VAL 517 CO 0.43 -0.19 -0.22 -0.63 0.00 0.00 0.00 175.10 174.49 2wmk s ILE 518 N -0.95 1.73 -0.11 2.22 1.01 0.12 -1.24 121.20 123.97 2wmk s ILE 518 Ca -0.05 -0.93 -0.03 0.00 0.00 0.00 0.00 60.65 59.64 2wmk s ILE 518 Cb -0.07 -1.44 -0.03 0.00 0.01 0.00 0.00 42.46 40.93 2wmk s ILE 518 CO 0.00 0.49 -0.01 -0.76 0.00 0.00 0.00 174.94 174.66 2wmk s LEU 519 N -0.49 3.47 -0.44 2.97 1.43 -0.82 -1.21 118.68 123.59 2wmk s LEU 519 Ca 0.08 0.04 -0.29 0.00 -1.03 0.00 0.00 54.13 52.93 2wmk s LEU 519 Cb -0.09 -1.81 0.02 0.00 0.03 0.00 0.00 46.19 44.34 2wmk s LEU 519 CO -0.01 0.30 1.27 -0.89 0.23 0.00 0.00 176.35 177.25 2wmk s THR 520 N -0.40 4.07 -0.57 5.49 2.01 -0.52 -0.02 115.64 125.69 2wmk s THR 520 Ca 0.07 1.10 0.14 0.00 0.31 0.00 0.00 61.69 63.31 2wmk s THR 520 Cb -0.12 -4.41 -0.16 0.00 0.01 0.00 0.00 72.50 67.82 2wmk s THR 520 CO 0.02 -0.87 0.55 1.33 -0.69 0.00 0.00 174.62 174.96 2wmk n VAL 521 N 6.91 0.00 -3.67 3.82 0.24 0.23 -4.71 118.33 121.15 2wmk n VAL 521 Ca 0.14 -0.19 -0.09 0.00 -2.04 0.00 0.00 64.34 62.16 2wmk n VAL 521 Cb 0.48 0.89 -0.10 0.00 -1.47 0.00 0.00 33.84 33.65 2wmk n VAL 521 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 2wmk s TYR 522 N -2.39 -0.73 0.04 6.34 5.04 -1.13 -4.76 117.35 119.77 2wmk s TYR 522 Ca 0.04 1.44 -0.27 0.00 -2.44 0.00 0.00 57.07 55.84 2wmk s TYR 522 Cb 0.10 0.29 0.08 0.00 0.35 0.00 0.00 41.96 42.78 2wmk s TYR 522 CO 0.57 -0.43 0.70 -0.08 -1.34 0.00 0.00 175.55 174.97 2wmk s THR 523 N 2.21 0.00 -1.63 4.34 -1.32 -1.26 -1.77 115.64 116.21 2wmk s THR 523 Ca -0.04 0.00 -0.15 0.00 -1.21 0.00 0.00 61.69 60.29 2wmk s THR 523 Cb -0.11 -1.00 0.12 0.00 -1.51 0.00 0.00 72.50 70.00 2wmk s THR 523 CO -0.13 0.00 0.74 0.00 -2.21 0.00 0.00 174.62 173.02 2wmk n ALA 524 N 0.12 -1.40 -1.24 11.08 0.00 -1.19 -0.53 120.51 127.35 2wmk n ALA 524 Ca -0.16 -0.03 -0.08 0.00 0.00 0.00 0.00 53.44 53.17 2wmk n ALA 524 Cb 0.61 -3.23 -0.04 0.00 0.00 0.00 0.00 19.45 16.80 2wmk n ALA 524 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wmk n GLY 525 N -1.55 0.86 2.81 0.00 0.00 -1.25 -2.05 105.19 104.00 2wmk n GLY 525 Ca -0.00 -0.09 -0.15 0.00 0.00 0.00 0.00 46.02 45.79 2wmk n GLY 525 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wmk n ASN 526 N -0.83 -3.35 -4.74 1.61 5.03 0.31 -4.75 115.26 108.54 2wmk n ASN 526 Ca -0.08 0.02 -0.41 0.00 0.87 0.00 0.00 54.58 54.97 2wmk n ASN 526 Cb 0.49 -2.84 -0.03 0.00 -1.02 0.00 0.00 39.78 36.39 2wmk n ASN 526 CO 0.00 0.00 0.00 -0.04 -1.83 0.00 0.00 177.26 175.39 2wmk s MET 527 N -5.40 4.33 0.42 3.52 -1.94 -0.87 -4.47 119.30 114.88 2wmk s MET 527 Ca 0.15 2.17 0.29 0.00 -1.71 0.00 0.00 55.69 56.59 2wmk s MET 527 Cb -0.08 -3.16 1.30 0.00 2.01 0.00 0.00 34.83 34.90 2wmk s MET 527 CO 0.19 -0.33 1.88 -1.00 -0.01 0.00 0.00 175.02 175.74 2wmk h PRO 528 N 5.22 0.00 0.00 2.03 0.13 -1.92 0.75 132.00 138.21 2wmk h PRO 528 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2wmk h PRO 528 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2wmk h PRO 528 CO 0.78 0.00 0.00 2.48 -0.23 0.00 0.00 178.00 181.03 2wmk n TYR 529 N -2.64 0.67 -0.05 1.56 4.11 -1.26 -4.34 117.16 115.20 2wmk n TYR 529 Ca 0.01 0.21 -0.04 0.00 -0.00 0.00 0.00 57.90 58.07 2wmk n TYR 529 Cb 0.22 -0.84 -0.08 0.00 -0.00 0.00 0.00 39.34 38.64 2wmk n TYR 529 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.86 177.52 2wmk n TYR 530 N -2.06 0.00 -3.71 -3.48 4.01 0.21 -5.06 117.16 107.07 2wmk n TYR 530 Ca 0.05 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.67 2wmk n TYR 530 Cb 0.36 -0.48 -0.10 0.00 -0.31 0.00 0.00 39.34 38.81 2wmk n TYR 530 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 2wmk s THR 531 N -2.28 -0.01 0.32 -0.72 -1.32 -0.92 -5.00 115.64 105.71 2wmk s THR 531 Ca -0.05 0.03 0.33 0.00 -1.21 0.00 0.00 61.69 60.78 2wmk s THR 531 Cb 0.03 -0.63 0.33 0.00 -1.51 0.00 0.00 72.50 70.72 2wmk s THR 531 CO 0.42 0.01 1.99 0.77 -2.21 0.00 0.00 174.62 175.60 2wmk h SER 532 N 5.98 0.00 0.54 8.08 4.64 -1.77 -2.77 113.55 128.25 2wmk h SER 532 Ca -0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 2wmk h SER 532 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2wmk h SER 532 CO 0.24 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.20 2wmk h ALA 533 N 1.86 1.00 -0.94 5.18 0.00 -1.92 -2.64 119.26 121.80 2wmk h ALA 533 Ca 0.00 0.00 0.19 0.00 0.00 0.00 0.00 54.91 55.10 2wmk h ALA 533 Cb 0.12 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.83 2wmk h ALA 533 CO 0.00 0.00 0.60 1.25 0.00 0.00 0.00 179.25 181.10 2wmk h HIS 534 N 0.00 0.78 -1.32 0.00 6.17 -1.71 -2.77 115.15 116.29 2wmk h HIS 534 Ca 0.00 0.02 -0.63 0.00 0.71 0.00 0.00 60.37 60.47 2wmk h HIS 534 Cb 0.27 -0.24 -0.24 0.00 2.52 0.00 0.00 27.41 29.72 2wmk h HIS 534 CO 0.00 0.21 0.80 0.91 0.71 0.00 0.00 177.93 180.56 2wmk n TRP 535 N -4.60 2.61 -3.85 5.26 8.01 -1.00 -4.72 117.44 119.15 2wmk n TRP 535 Ca 0.20 -2.42 -0.30 0.00 -1.31 0.00 0.00 57.50 53.67 2wmk n TRP 535 Cb 0.61 -1.28 -0.15 0.00 -2.01 0.00 0.00 31.31 28.49 2wmk n TRP 535 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.69 176.17 2wmk s LEU 536 N -3.35 3.39 0.66 -0.99 1.43 -1.05 -4.59 118.68 114.18 2wmk s LEU 536 Ca 0.55 -2.06 -0.11 0.00 -1.03 0.00 0.00 54.13 51.48 2wmk s LEU 536 Cb 0.43 -1.23 -0.02 0.00 0.03 0.00 0.00 46.19 45.40 2wmk s LEU 536 CO -0.20 -0.37 1.05 -0.94 0.23 0.00 0.00 176.35 176.11 2wmk s SER 537 N 1.05 5.85 0.36 2.29 1.04 -1.26 -4.90 113.70 118.13 2wmk s SER 537 Ca 0.12 1.43 0.06 0.00 0.48 0.00 0.00 55.95 58.04 2wmk s SER 537 Cb -0.19 -2.40 0.69 0.00 0.10 0.00 0.00 66.02 64.22 2wmk s SER 537 CO -0.14 -1.12 1.91 0.74 0.98 0.00 0.00 173.24 175.61 2wmk h THR 538 N -0.49 1.18 -0.55 2.02 2.02 -1.98 -1.05 112.91 114.05 2wmk h THR 538 Ca -0.44 -0.71 -0.06 0.00 0.77 0.00 0.00 66.41 65.97 2wmk h THR 538 Cb 1.21 0.98 -0.02 0.00 -1.74 0.00 0.00 68.15 68.57 2wmk h THR 538 CO 0.61 0.24 0.12 -1.28 0.37 0.00 0.00 175.52 175.58 2wmk h SER 539 N 0.42 0.84 -0.49 4.18 0.87 -1.99 0.62 113.55 117.99 2wmk h SER 539 Ca 0.09 -0.24 -0.01 0.00 -1.23 0.00 0.00 61.79 60.40 2wmk h SER 539 Cb 0.30 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.01 2wmk h SER 539 CO 0.01 0.86 0.26 -0.25 -0.53 0.00 0.00 176.83 177.18 2wmk h TRP 540 N 0.78 0.69 -0.52 2.24 7.01 -1.79 -1.33 115.95 123.03 2wmk h TRP 540 Ca 0.17 -0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.15 2wmk h TRP 540 Cb 0.36 -0.22 -0.03 0.00 -2.10 0.00 0.00 29.16 27.18 2wmk h TRP 540 CO 0.03 0.53 0.35 0.82 -2.79 0.00 0.00 178.44 177.37 2wmk h ILE 541 N 0.65 1.13 -0.55 2.65 2.04 -0.75 -0.11 117.51 122.57 2wmk h ILE 541 Ca 0.17 -0.24 0.05 0.00 1.00 0.00 0.00 64.86 65.84 2wmk h ILE 541 Cb 0.08 0.36 -0.05 0.00 -0.74 0.00 0.00 36.82 36.48 2wmk h ILE 541 CO -0.03 0.13 0.28 -0.78 0.00 0.00 0.00 178.15 177.76 2wmk h ASP 542 N 0.71 0.41 -0.82 1.72 3.58 -0.69 -1.28 116.42 120.05 2wmk h ASP 542 Ca 0.19 0.03 0.01 0.00 0.42 0.00 0.00 57.03 57.68 2wmk h ASP 542 Cb -0.08 -0.05 -0.04 0.00 1.72 0.00 0.00 39.33 40.88 2wmk h ASP 542 CO -0.04 0.28 0.55 0.50 -2.88 0.00 0.00 179.24 177.64 2wmk h LYS 543 N 0.55 1.07 -0.31 0.28 3.64 -0.52 -1.63 116.57 119.65 2wmk h LYS 543 Ca 0.25 -0.06 -0.15 0.00 -1.27 0.00 0.00 60.65 59.41 2wmk h LYS 543 Cb 0.15 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 31.73 2wmk h LYS 543 CO -0.17 0.71 -0.41 0.52 -2.27 0.00 0.00 179.45 177.83 2wmk h MET 544 N 1.11 0.82 -0.94 1.90 2.86 -0.43 -1.25 114.93 119.00 2wmk h MET 544 Ca 0.31 -0.47 -0.00 0.00 -2.06 0.00 0.00 59.70 57.47 2wmk h MET 544 Cb -0.11 0.04 -0.05 0.00 0.06 0.00 0.00 31.60 31.54 2wmk h MET 544 CO -0.07 1.10 0.58 1.88 1.06 0.00 0.00 176.91 181.46 2wmk h TYR 545 N 0.59 1.23 -0.08 -0.22 0.99 -0.91 -0.68 116.97 117.90 2wmk h TYR 545 Ca 0.04 0.00 -0.13 0.00 2.00 0.00 0.00 58.73 60.64 2wmk h TYR 545 Cb 1.00 -0.40 -0.01 0.00 1.00 0.00 0.00 36.73 38.32 2wmk h TYR 545 CO 0.07 0.81 -0.53 1.96 -0.00 0.00 0.00 178.16 180.47 2wmk h GLN 546 N 1.29 0.21 0.02 4.88 4.20 -1.14 -3.23 115.11 121.33 2wmk h GLN 546 Ca 0.34 -0.13 -0.24 0.00 0.06 0.00 0.00 58.65 58.68 2wmk h GLN 546 Cb -0.07 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.69 2wmk h GLN 546 CO -0.07 0.69 -1.21 -0.22 -0.67 0.00 0.00 178.83 177.35 2wmk h LYS 547 N 0.17 0.04 -3.92 1.46 3.64 -0.87 -3.44 116.57 113.65 2wmk h LYS 547 Ca 0.00 -0.07 -0.63 0.00 -1.27 0.00 0.00 60.65 58.69 2wmk h LYS 547 Cb 0.99 0.02 -0.40 0.00 -0.41 0.00 0.00 32.23 32.43 2wmk h LYS 547 CO 0.08 0.92 -0.72 0.71 -2.27 0.00 0.00 179.45 178.17 2wmk s TYR 548 N -2.67 2.88 0.47 1.91 2.02 -0.29 -4.96 117.35 116.70 2wmk s TYR 548 Ca -0.01 -2.63 0.35 0.00 -0.37 0.00 0.00 57.07 54.41 2wmk s TYR 548 Cb 0.09 -2.45 1.84 0.00 -0.40 0.00 0.00 41.96 41.04 2wmk s TYR 548 CO 0.83 -0.87 2.19 -1.35 -1.57 0.00 0.00 175.55 174.78 2wmk h PRO 549 N 7.40 0.00 0.00 -1.71 0.11 -1.86 -1.05 132.00 134.90 2wmk h PRO 549 Ca -0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.04 2wmk h PRO 549 Cb 0.98 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.09 2wmk h PRO 549 CO 0.53 0.04 0.00 0.27 -0.21 0.00 0.00 178.00 178.63 2wmk n ASN 550 N -3.37 0.00 -4.59 -2.05 6.94 -1.26 -4.59 115.26 106.33 2wmk n ASN 550 Ca -0.02 -0.02 -0.43 0.00 -0.02 0.00 0.00 54.58 54.10 2wmk n ASN 550 Cb 0.17 -0.30 -0.02 0.00 -2.36 0.00 0.00 39.78 37.27 2wmk n ASN 550 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 2wmk s LEU 551 N -2.59 3.54 -0.01 -4.53 2.96 -0.40 -0.81 118.68 116.84 2wmk s LEU 551 Ca 0.21 0.27 0.21 0.00 -0.22 0.00 0.00 54.13 54.61 2wmk s LEU 551 Cb 0.16 -3.35 -0.27 0.00 0.50 0.00 0.00 46.19 43.23 2wmk s LEU 551 CO 0.36 -1.37 0.72 1.41 -1.32 0.00 0.00 176.35 176.14 2wmk n HIS 552 N 8.16 0.00 -3.66 5.38 8.25 -0.37 -4.88 115.22 128.09 2wmk n HIS 552 Ca 0.10 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.57 2wmk n HIS 552 Cb 0.49 -0.20 -0.00 0.00 1.12 0.00 0.00 29.99 31.39 2wmk n HIS 552 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2wmk s GLY 553 N -3.61 -0.36 0.07 -1.41 0.00 -1.24 -1.37 107.32 99.40 2wmk s GLY 553 Ca 0.01 0.56 0.03 0.00 0.00 0.00 0.00 44.72 45.33 2wmk s GLY 553 CO 0.88 0.54 -0.09 -0.26 0.00 0.00 0.00 173.10 174.16 2wmk s ILE 554 N -2.48 0.75 -0.03 0.90 -4.36 -0.56 -1.94 121.20 113.46 2wmk s ILE 554 Ca 0.15 -1.36 0.02 0.00 -0.26 0.00 0.00 60.65 59.21 2wmk s ILE 554 Cb 0.04 -1.00 0.01 0.00 1.25 0.00 0.00 42.46 42.76 2wmk s ILE 554 CO -0.03 -0.46 -0.10 0.12 0.24 0.00 0.00 174.94 174.72 2wmk s PHE 555 N -1.90 1.05 -0.04 1.37 5.36 0.97 -1.33 117.98 123.47 2wmk s PHE 555 Ca -0.02 -0.29 0.05 0.00 -0.96 0.00 0.00 56.93 55.71 2wmk s PHE 555 Cb -0.06 -0.76 -0.02 0.00 -0.34 0.00 0.00 43.02 41.83 2wmk s PHE 555 CO -0.00 -0.14 -0.18 0.45 -1.46 0.00 0.00 175.22 173.89 2wmk s SER 556 N 0.32 3.70 -0.18 6.13 0.15 -0.17 -0.60 113.70 123.06 2wmk s SER 556 Ca -0.06 -0.29 -0.13 0.00 0.70 0.00 0.00 55.95 56.17 2wmk s SER 556 Cb -0.10 -0.67 0.05 0.00 -1.71 0.00 0.00 66.02 63.59 2wmk s SER 556 CO 0.01 0.33 0.45 0.28 1.20 0.00 0.00 173.24 175.52 2wmk s THR 557 N -0.70 -0.01 -0.81 6.45 -1.32 -0.73 -1.02 115.64 117.50 2wmk s THR 557 Ca 0.11 0.04 -0.05 0.00 -1.21 0.00 0.00 61.69 60.58 2wmk s THR 557 Cb -0.10 -0.65 -0.05 0.00 -1.51 0.00 0.00 72.50 70.18 2wmk s THR 557 CO 0.00 0.02 0.71 0.00 -2.21 0.00 0.00 174.62 173.14 2wmk n ALA 558 N 3.50 -2.03 0.60 11.08 0.00 -0.80 -3.92 120.51 128.94 2wmk n ALA 558 Ca -0.18 0.11 0.07 0.00 0.00 0.00 0.00 53.44 53.44 2wmk n ALA 558 Cb 0.56 -4.59 0.04 0.00 0.00 0.00 0.00 19.45 15.46 2wmk n ALA 558 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2wmk n ASN 559 N -2.83 1.94 -0.08 0.00 3.02 -1.26 -3.16 115.26 112.88 2wmk n ASN 559 Ca -0.05 -1.47 0.10 0.00 -0.03 0.00 0.00 54.58 53.12 2wmk n ASN 559 Cb 0.59 0.17 0.47 0.00 -0.61 0.00 0.00 39.78 40.40 2wmk n ASN 559 CO 0.00 0.00 0.00 0.10 -2.62 0.00 0.00 177.26 174.74 2wmk h TYR 560 N 2.37 0.49 -0.02 3.10 -0.00 -1.90 -0.30 116.97 120.71 2wmk h TYR 560 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 58.73 58.74 2wmk h TYR 560 Cb 0.55 -0.16 0.00 0.00 0.00 0.00 0.00 36.73 37.12 2wmk h TYR 560 CO 0.00 0.25 0.00 -2.67 -0.00 0.00 0.00 178.16 175.74 2wmk n TRP 561 N -4.47 0.01 -2.92 0.10 4.27 -1.26 -4.38 117.44 108.78 2wmk n TRP 561 Ca 0.09 -0.01 -0.13 0.00 -3.89 0.00 0.00 57.50 53.57 2wmk n TRP 561 Cb 0.30 0.00 -0.00 0.00 -1.36 0.00 0.00 31.31 30.25 2wmk n TRP 561 CO 0.00 0.00 0.00 1.51 -2.29 0.00 0.00 177.69 176.91 2wmk n ILE 562 N -0.04 -0.30 -2.67 -1.67 0.13 -0.13 -5.08 119.36 109.61 2wmk n ILE 562 Ca 0.20 -2.11 -0.42 0.00 -1.10 0.00 0.00 62.75 59.32 2wmk n ILE 562 Cb 0.31 0.28 -0.03 0.00 -0.84 0.00 0.00 39.64 39.36 2wmk n ILE 562 CO 0.00 0.00 0.00 0.86 2.80 0.00 0.00 176.55 180.21 2wmk s TRP 563 N 0.29 2.72 0.53 9.51 -0.11 -1.19 -3.94 118.94 126.75 2wmk s TRP 563 Ca 0.32 -1.05 -0.21 0.00 1.22 0.00 0.00 56.10 56.39 2wmk s TRP 563 Cb 0.13 -4.58 -0.05 0.00 -1.50 0.00 0.00 33.47 27.47 2wmk s TRP 563 CO -0.16 -1.80 1.23 0.00 -4.62 0.00 0.00 176.95 171.59 2wmk s ALA 564 N 4.27 2.77 0.43 5.86 0.00 -1.26 -4.92 121.76 128.90 2wmk s ALA 564 Ca 0.43 1.06 0.25 0.00 0.00 0.00 0.00 51.96 53.70 2wmk s ALA 564 Cb -0.01 -3.46 1.27 0.00 0.00 0.00 0.00 23.12 20.92 2wmk s ALA 564 CO -0.09 -1.03 1.71 -0.91 0.00 0.00 0.00 175.76 175.44 2wmk h ASN 565 N 1.44 0.33 -0.24 0.00 2.35 -1.93 -1.42 115.58 116.11 2wmk h ASN 565 Ca -0.50 0.10 -0.08 0.00 -0.55 0.00 0.00 56.30 55.26 2wmk h ASN 565 Cb 1.28 0.06 -0.05 0.00 0.05 0.00 0.00 38.32 39.66 2wmk h ASN 565 CO 0.57 -0.03 -0.09 -0.90 -1.65 0.00 0.00 177.43 175.34 2wmk n ASP 566 N -4.61 2.80 -0.34 5.81 5.75 -1.26 -4.77 116.55 119.92 2wmk n ASP 566 Ca 0.30 -3.46 -0.03 0.00 -0.01 0.00 0.00 54.79 51.59 2wmk n ASP 566 Cb 1.13 -0.57 0.09 0.00 -1.03 0.00 0.00 41.12 40.75 2wmk n ASP 566 CO 0.00 0.00 0.00 -0.29 -0.11 0.00 0.00 177.20 176.80 2wmk h ILE 567 N 1.08 1.25 -0.20 2.12 2.10 -1.61 0.01 117.51 122.26 2wmk h ILE 567 Ca 0.10 -0.56 -0.12 0.00 1.08 0.00 0.00 64.86 65.35 2wmk h ILE 567 Cb 1.43 -0.04 0.00 0.00 -1.09 0.00 0.00 36.82 37.12 2wmk h ILE 567 CO 0.24 0.27 -0.36 -0.33 -1.08 0.00 0.00 178.15 176.90 2wmk h GLU 568 N 1.27 0.59 -0.60 2.19 3.07 -1.86 -0.70 114.58 118.54 2wmk h GLU 568 Ca 0.33 -0.37 0.05 0.00 -0.50 0.00 0.00 59.36 58.86 2wmk h GLU 568 Cb -0.04 0.04 -0.05 0.00 -0.84 0.00 0.00 28.75 27.86 2wmk h GLU 568 CO -0.06 0.98 0.33 -0.91 -1.40 0.00 0.00 179.01 177.96 2wmk h ASN 569 N 0.27 0.51 -0.38 1.42 2.35 -1.86 -1.37 115.58 116.51 2wmk h ASN 569 Ca 0.01 0.02 -0.11 0.00 -0.55 0.00 0.00 56.30 55.68 2wmk h ASN 569 Cb 0.95 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 39.22 2wmk h ASN 569 CO 0.08 0.34 -0.16 0.11 -1.65 0.00 0.00 177.43 176.15 2wmk h LYS 570 N 0.64 0.85 -0.76 0.81 1.79 -0.86 -2.63 116.57 116.41 2wmk h LYS 570 Ca 0.26 -0.32 -0.05 0.00 -2.18 0.00 0.00 60.65 58.37 2wmk h LYS 570 Cb 0.13 -0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 30.69 2wmk h LYS 570 CO -0.15 0.95 0.28 0.00 -1.08 0.00 0.00 179.45 179.45 2wmk h ALA 571 N 1.06 1.07 -0.77 3.86 0.00 -0.88 -0.46 119.26 123.14 2wmk h ALA 571 Ca 0.11 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.86 2wmk h ALA 571 Cb 0.68 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 2wmk h ALA 571 CO 0.05 0.65 0.48 0.00 0.00 0.00 0.00 179.25 180.43 2wmk h ALA 572 N 1.20 1.01 -0.35 0.00 0.00 -1.15 -0.40 119.26 119.57 2wmk h ALA 572 Ca 0.25 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 55.02 2wmk h ALA 572 Cb 0.24 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2wmk h ALA 572 CO -0.02 0.27 -0.28 -0.44 0.00 0.00 0.00 179.25 178.79 2wmk h ASP 573 N 0.93 0.74 -0.52 0.00 3.32 -0.90 -0.62 116.42 119.38 2wmk h ASP 573 Ca 0.31 -0.29 -0.08 0.00 0.02 0.00 0.00 57.03 56.99 2wmk h ASP 573 Cb 0.04 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 2wmk h ASP 573 CO -0.12 0.98 -0.01 1.88 -1.72 0.00 0.00 179.24 180.25 2wmk h TYR 574 N 0.62 1.00 -0.21 4.55 0.05 -0.72 -1.13 116.97 121.13 2wmk h TYR 574 Ca 0.08 -0.18 -0.05 0.00 0.05 0.00 0.00 58.73 58.63 2wmk h TYR 574 Cb 0.79 -0.26 -0.01 0.00 1.01 0.00 0.00 36.73 38.26 2wmk h TYR 574 CO 0.04 0.93 -0.05 1.25 -1.05 0.00 0.00 178.16 179.28 2wmk h LEU 575 N 0.78 0.40 -0.47 3.88 5.85 -0.90 -2.36 115.31 122.49 2wmk h LEU 575 Ca 0.15 -0.37 0.04 0.00 0.84 0.00 0.00 57.88 58.54 2wmk h LEU 575 Cb 0.53 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.41 2wmk h LEU 575 CO 0.03 0.68 0.23 0.50 -0.34 0.00 0.00 178.44 179.53 2wmk h LYS 576 N 0.12 0.43 -0.06 1.25 3.64 -1.08 0.96 116.57 121.84 2wmk h LYS 576 Ca 0.05 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.31 2wmk h LYS 576 Cb 0.50 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 2wmk h LYS 576 CO 0.02 0.29 -0.40 -0.24 -2.27 0.00 0.00 179.45 176.85 2wmk h VAL 577 N 0.45 1.30 0.06 2.00 3.04 -1.21 -0.66 116.25 121.23 2wmk h VAL 577 Ca 0.21 -1.44 -0.00 0.00 -1.01 0.00 0.00 66.70 64.45 2wmk h VAL 577 Cb 0.13 1.70 0.00 0.00 -2.01 0.00 0.00 31.29 31.11 2wmk h VAL 577 CO -0.15 0.42 -0.03 0.28 -1.01 0.00 0.00 177.57 177.08 2wmk h SER 578 N 0.11 -0.07 -0.73 3.17 0.02 -1.15 -3.07 113.55 111.83 2wmk h SER 578 Ca 0.01 -0.42 0.07 0.00 -0.84 0.00 0.00 61.79 60.61 2wmk h SER 578 Cb 0.76 0.02 -0.05 0.00 0.14 0.00 0.00 62.40 63.27 2wmk h SER 578 CO 0.06 0.40 0.48 0.00 -1.14 0.00 0.00 176.83 176.62 2wmk h ALA 579 N 0.32 1.73 0.00 3.77 0.00 -0.64 -0.04 119.26 124.40 2wmk h ALA 579 Ca -0.01 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2wmk h ALA 579 Cb 0.48 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 2wmk h ALA 579 CO 0.01 0.15 -0.10 -0.22 0.00 0.00 0.00 179.25 179.09 2wmk h LYS 580 N 0.73 0.00 -0.15 0.00 3.64 -1.08 -2.93 116.57 116.79 2wmk h LYS 580 Ca 0.32 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.70 2wmk h LYS 580 Cb 0.30 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 2wmk h LYS 580 CO -0.11 0.10 0.00 0.09 -2.27 0.00 0.00 179.45 177.27 2wmk n ASN 581 N -4.15 2.23 -0.24 4.20 4.13 -0.48 -4.92 115.26 116.03 2wmk n ASN 581 Ca -0.03 -1.72 -0.03 0.00 1.68 0.00 0.00 54.58 54.48 2wmk n ASN 581 Cb 0.19 -0.09 -0.01 0.00 -1.54 0.00 0.00 39.78 38.32 2wmk n ASN 581 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2wmk n GLY 582 N 0.30 0.57 4.00 7.41 0.00 -0.68 -4.81 105.19 111.97 2wmk n GLY 582 Ca 0.07 -0.24 -0.24 0.00 0.00 0.00 0.00 46.02 45.61 2wmk n GLY 582 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wmk s GLY 583 N -2.33 1.75 -0.03 -0.02 0.00 -0.15 -0.60 107.32 105.94 2wmk s GLY 583 Ca 0.00 -1.79 0.02 0.00 0.00 0.00 0.00 44.72 42.95 2wmk s GLY 583 CO 0.00 -1.19 -0.07 -0.19 0.00 0.00 0.00 173.10 171.65 2wmk s TYR 584 N -3.17 2.90 -0.25 1.90 2.02 -0.47 -3.98 117.35 116.29 2wmk s TYR 584 Ca 0.67 -0.02 -0.12 0.00 -0.37 0.00 0.00 57.07 57.23 2wmk s TYR 584 Cb -0.05 -1.66 -0.05 0.00 -0.40 0.00 0.00 41.96 39.81 2wmk s TYR 584 CO 0.45 0.34 0.25 0.12 -1.57 0.00 0.00 175.55 175.14 2wmk s PHE 585 N -0.89 3.29 -0.13 2.71 5.36 0.11 -1.50 117.98 126.92 2wmk s PHE 585 Ca 0.15 0.31 0.00 0.00 -0.96 0.00 0.00 56.93 56.43 2wmk s PHE 585 Cb -0.11 -2.40 -0.01 0.00 -0.34 0.00 0.00 43.02 40.16 2wmk s PHE 585 CO 0.04 -0.05 -0.14 0.42 -1.46 0.00 0.00 175.22 174.03 2wmk s ILE 586 N 1.44 2.90 -0.16 3.12 1.01 -0.44 -0.80 121.20 128.27 2wmk s ILE 586 Ca 0.11 -0.71 -0.00 0.00 0.00 0.00 0.00 60.65 60.04 2wmk s ILE 586 Cb -0.15 -2.21 0.04 0.00 0.01 0.00 0.00 42.46 40.15 2wmk s ILE 586 CO 0.08 0.52 -0.06 0.86 0.00 0.00 0.00 174.94 176.34 2wmk s TRP 587 N 0.47 1.70 -0.26 3.97 -0.11 -0.18 -1.00 118.94 123.53 2wmk s TRP 587 Ca -0.10 -1.04 -0.10 0.00 1.22 0.00 0.00 56.10 56.08 2wmk s TRP 587 Cb -0.16 -1.32 -0.04 0.00 -1.50 0.00 0.00 33.47 30.44 2wmk s TRP 587 CO 0.05 -0.60 0.15 0.00 -4.62 0.00 0.00 176.95 171.93 2wmk s ALA 588 N 1.63 3.45 0.03 5.86 0.00 -0.19 -0.97 121.76 131.57 2wmk s ALA 588 Ca 0.02 -1.06 -0.16 0.00 0.00 0.00 0.00 51.96 50.76 2wmk s ALA 588 Cb -0.15 -2.35 0.03 0.00 0.00 0.00 0.00 23.12 20.65 2wmk s ALA 588 CO -0.08 -0.46 0.35 -2.00 0.00 0.00 0.00 175.76 173.57 2wmk s GLU 589 N 1.59 0.83 0.07 0.00 2.56 -0.00 -1.91 118.70 121.84 2wmk s GLU 589 Ca 0.07 -0.39 0.10 0.00 0.00 0.00 0.00 54.97 54.74 2wmk s GLU 589 Cb -0.15 0.37 -0.03 0.00 2.00 0.00 0.00 34.13 36.31 2wmk s GLU 589 CO 0.08 -0.27 -0.26 -1.14 -0.56 0.00 0.00 175.26 173.11 2wmk s GLN 590 N -2.31 1.69 0.00 4.30 2.00 -1.26 -2.92 119.66 121.15 2wmk s GLN 590 Ca -0.07 -1.18 0.00 0.00 -2.00 0.00 0.00 55.36 52.11 2wmk s GLN 590 Cb -0.01 -1.97 0.00 0.00 0.80 0.00 0.00 33.01 31.83 2wmk s GLN 590 CO -0.02 0.49 1.16 -1.71 -0.50 0.00 0.00 175.29 174.71 2wmk n ASN 591 N 1.46 3.23 -4.77 6.67 5.15 -1.26 -4.40 115.26 121.34 2wmk n ASN 591 Ca -0.17 -1.83 -0.40 0.00 -0.60 0.00 0.00 54.58 51.58 2wmk n ASN 591 Cb 0.52 -0.63 -0.02 0.00 -0.53 0.00 0.00 39.78 39.13 2wmk n ASN 591 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 2wmk s ASN 592 N 1.46 6.67 -1.46 1.20 -0.87 -1.26 -3.04 114.94 117.64 2wmk s ASN 592 Ca 0.00 2.66 -0.11 0.00 -1.57 0.00 0.00 52.86 53.84 2wmk s ASN 592 Cb 0.00 -2.65 0.07 0.00 -0.02 0.00 0.00 41.25 38.66 2wmk s ASN 592 CO 0.00 -0.60 0.76 0.61 -2.57 0.00 0.00 177.10 175.29 2wmk n GLY 593 N 0.76 -0.50 2.39 0.66 0.00 -1.26 -1.86 105.19 105.39 2wmk n GLY 593 Ca 0.01 0.15 -0.16 0.00 0.00 0.00 0.00 46.02 46.02 2wmk n GLY 593 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2wmk n SER 594 N -2.59 -4.86 -0.28 1.61 7.64 -1.17 -4.91 113.62 109.06 2wmk n SER 594 Ca 0.00 0.21 0.00 0.00 1.01 0.00 0.00 58.87 60.10 2wmk n SER 594 Cb 0.54 -3.86 0.13 0.00 -1.01 0.00 0.00 64.21 60.01 2wmk n SER 594 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wmk h ALA 595 N 0.34 1.07 -0.26 -0.43 0.00 -1.51 -0.37 119.26 118.10 2wmk h ALA 595 Ca -0.35 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.39 2wmk h ALA 595 Cb 1.15 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 2wmk h ALA 595 CO 0.47 0.18 -0.52 0.82 0.00 0.00 0.00 179.25 180.20 2wmk h ILE 596 N 0.85 1.29 -0.45 0.00 1.08 -1.87 -0.72 117.51 117.69 2wmk h ILE 596 Ca 0.35 -1.72 -0.01 0.00 -0.39 0.00 0.00 64.86 63.08 2wmk h ILE 596 Cb 0.19 1.64 -0.02 0.00 -3.07 0.00 0.00 36.82 35.56 2wmk h ILE 596 CO -0.18 0.55 0.23 -0.33 -0.69 0.00 0.00 178.15 177.73 2wmk h GLU 597 N 0.59 0.64 -0.69 2.37 5.08 -1.82 -2.89 114.58 117.87 2wmk h GLU 597 Ca 0.02 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 2wmk h GLU 597 Cb 1.10 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 30.19 2wmk h GLU 597 CO 0.11 0.53 0.37 0.87 -1.00 0.00 0.00 179.01 179.89 2wmk h LYS 598 N 0.59 0.96 -0.93 2.33 1.57 -0.95 -1.38 116.57 118.75 2wmk h LYS 598 Ca 0.16 -0.11 0.22 0.00 -1.87 0.00 0.00 60.65 59.04 2wmk h LYS 598 Cb 0.09 -0.19 -0.07 0.00 0.08 0.00 0.00 32.23 32.15 2wmk h LYS 598 CO -0.02 0.72 0.61 0.00 -0.57 0.00 0.00 179.45 180.19 2wmk h ALA 599 N 1.18 2.25 -0.48 3.86 0.00 -0.92 -0.27 119.26 124.88 2wmk h ALA 599 Ca 0.24 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2wmk h ALA 599 Cb 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2wmk h ALA 599 CO -0.04 -0.55 0.00 1.19 0.00 0.00 0.00 179.25 179.85 2wmk n PHE 600 N -4.51 0.63 0.00 0.00 3.72 -1.04 -4.20 117.46 112.06 2wmk n PHE 600 Ca 0.20 -0.31 0.00 0.00 -0.05 0.00 0.00 57.45 57.29 2wmk n PHE 600 Cb 0.74 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.28 2wmk n PHE 600 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2wmk n GLY 601 N 1.48 1.31 0.28 1.37 0.00 -0.11 -4.52 105.19 105.00 2wmk n GLY 601 Ca 0.20 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.28 2wmk n GLY 601 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2wmk h LYS 602 N 1.34 0.09 -0.66 1.61 3.64 -1.35 0.31 116.57 121.54 2wmk h LYS 602 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2wmk h LYS 602 Cb 0.00 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 2wmk h LYS 602 CO 0.00 0.06 0.00 0.09 -2.27 0.00 0.00 179.45 177.33 2wmk n ASN 603 N -5.37 4.12 0.00 4.20 3.02 -1.26 -4.91 115.26 115.06 2wmk n ASN 603 Ca 0.14 -2.53 0.00 0.00 -0.03 0.00 0.00 54.58 52.16 2wmk n ASN 603 Cb 0.48 -0.58 0.00 0.00 -0.61 0.00 0.00 39.78 39.08 2wmk n ASN 603 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wmk n GLY 604 N 0.65 0.27 3.38 7.41 0.00 0.11 -5.03 105.19 111.98 2wmk n GLY 604 Ca 0.20 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.77 2wmk n GLY 604 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wmk s LYS 605 N -0.92 3.12 0.00 1.61 3.01 -1.25 -4.88 119.74 120.42 2wmk s LYS 605 Ca 0.00 -1.39 0.20 0.00 -1.01 0.00 0.00 55.97 53.77 2wmk s LYS 605 Cb 0.00 -4.32 0.46 0.00 -1.01 0.00 0.00 37.83 32.96 2wmk s LYS 605 CO 0.00 -1.56 1.39 0.44 0.51 0.00 0.00 175.35 176.12 2wmk n ILE 606 N 5.48 0.74 -0.36 2.17 -5.35 -1.26 -3.61 119.36 117.17 2wmk n ILE 606 Ca -0.06 -0.87 0.01 0.00 -0.27 0.00 0.00 62.75 61.57 2wmk n ILE 606 Cb 0.43 0.75 0.15 0.00 -1.74 0.00 0.00 39.64 39.23 2wmk n ILE 606 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2wmk h ALA 607 N 3.82 1.33 -0.11 -1.28 0.00 -1.90 -1.57 119.26 119.55 2wmk h ALA 607 Ca 0.00 -0.03 -0.24 0.00 0.00 0.00 0.00 54.91 54.64 2wmk h ALA 607 Cb 0.91 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 18.39 2wmk h ALA 607 CO 0.00 0.47 -0.86 0.35 0.00 0.00 0.00 179.25 179.21 2wmk h PHE 608 N 1.19 1.05 -0.53 0.00 3.57 -1.80 -1.38 116.94 119.04 2wmk h PHE 608 Ca 0.41 -0.49 0.10 0.00 3.53 0.00 0.00 57.97 61.51 2wmk h PHE 608 Cb 0.09 -0.15 -0.08 0.00 2.79 0.00 0.00 35.95 38.60 2wmk h PHE 608 CO -0.01 1.33 0.05 0.37 -2.23 0.00 0.00 178.31 177.82 2wmk h GLN 609 N 0.49 0.16 -0.34 1.11 4.15 -1.63 -0.87 115.11 118.18 2wmk h GLN 609 Ca -0.07 -0.01 -0.08 0.00 0.77 0.00 0.00 58.65 59.25 2wmk h GLN 609 Cb 1.49 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 29.13 2wmk h GLN 609 CO 0.17 0.11 -0.14 0.87 -1.93 0.00 0.00 178.83 177.91 2wmk h LYS 610 N 0.17 0.60 -0.41 1.69 1.57 -1.17 -2.33 116.57 116.70 2wmk h LYS 610 Ca 0.27 -0.19 -0.08 0.00 -1.87 0.00 0.00 60.65 58.77 2wmk h LYS 610 Cb 0.40 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 2wmk h LYS 610 CO -0.40 0.72 -0.08 1.03 -0.57 0.00 0.00 179.45 180.15 2wmk h SER 611 N 0.55 0.77 -0.80 0.86 0.87 -0.78 -3.00 113.55 112.01 2wmk h SER 611 Ca 0.09 -0.35 -0.01 0.00 -1.23 0.00 0.00 61.79 60.29 2wmk h SER 611 Cb 0.56 -0.21 -0.04 0.00 -0.44 0.00 0.00 62.40 62.27 2wmk h SER 611 CO 0.04 0.94 0.45 0.58 -0.53 0.00 0.00 176.83 178.30 2wmk h VAL 612 N 0.59 1.24 -0.96 2.23 2.07 -1.04 0.17 116.25 120.53 2wmk h VAL 612 Ca 0.11 -0.58 0.25 0.00 0.82 0.00 0.00 66.70 67.30 2wmk h VAL 612 Cb 0.59 0.16 -0.13 0.00 -1.52 0.00 0.00 31.29 30.39 2wmk h VAL 612 CO 0.04 0.26 0.51 0.44 0.02 0.00 0.00 177.57 178.84 2wmk h ASP 613 N 1.11 0.52 0.12 0.57 3.32 -1.28 -1.31 116.42 119.46 2wmk h ASP 613 Ca 0.28 0.15 -0.27 0.00 0.02 0.00 0.00 57.03 57.22 2wmk h ASP 613 Cb 0.02 0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.66 2wmk h ASP 613 CO -0.05 0.02 -1.35 0.11 -1.72 0.00 0.00 179.24 176.25 2wmk h LYS 614 N 0.47 0.25 -0.09 3.56 1.57 -1.44 -3.43 116.57 117.46 2wmk h LYS 614 Ca 0.63 -0.42 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 2wmk h LYS 614 Cb 1.24 0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.71 2wmk h LYS 614 CO -0.52 1.20 0.00 0.66 -0.57 0.00 0.00 179.45 180.22 2wmk n TYR 615 N -3.95 0.23 -0.05 -1.35 4.01 0.56 -4.77 117.16 111.85 2wmk n TYR 615 Ca -0.24 -0.76 0.24 0.00 -0.16 0.00 0.00 57.90 56.98 2wmk n TYR 615 Cb 0.89 -0.13 0.72 0.00 -0.31 0.00 0.00 39.34 40.51 2wmk n TYR 615 CO 0.00 0.00 0.00 0.11 -0.46 0.00 0.00 176.86 176.51 2wmk h TRP 616 N 0.61 0.00 0.00 -0.72 5.08 -1.45 -0.04 115.95 119.43 2wmk h TRP 616 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 2wmk h TRP 616 Cb 0.89 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.05 2wmk h TRP 616 CO 0.12 0.00 0.00 1.63 -1.28 0.00 0.00 178.44 178.91 2wmk n LYS 617 N -4.15 0.11 -0.16 0.12 5.02 -1.26 -1.61 118.16 116.23 2wmk n LYS 617 Ca 0.13 0.49 0.05 0.00 -2.02 0.00 0.00 58.31 56.96 2wmk n LYS 617 Cb 0.76 -1.78 0.14 0.00 -0.02 0.00 0.00 35.03 34.13 2wmk n LYS 617 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2wmk n ASN 618 N -2.01 2.82 -4.78 4.39 3.02 -0.03 -4.74 115.26 113.94 2wmk n ASN 618 Ca 0.01 -1.97 -0.36 0.00 -0.03 0.00 0.00 54.58 52.23 2wmk n ASN 618 Cb 0.11 -0.21 -0.07 0.00 -0.61 0.00 0.00 39.78 39.00 2wmk n ASN 618 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2wmk s LEU 619 N -0.99 4.20 -0.14 3.41 2.96 -0.63 -0.72 118.68 126.77 2wmk s LEU 619 Ca 0.21 0.31 0.02 0.00 -0.22 0.00 0.00 54.13 54.45 2wmk s LEU 619 Cb 0.11 -2.05 0.01 0.00 0.50 0.00 0.00 46.19 44.76 2wmk s LEU 619 CO 0.15 0.29 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.63 2wmk s ILE 620 N -0.30 2.23 -0.11 6.68 -1.09 0.02 -0.67 121.20 127.96 2wmk s ILE 620 Ca 0.11 -0.92 0.02 0.00 -2.23 0.00 0.00 60.65 57.62 2wmk s ILE 620 Cb -0.12 -1.90 -0.01 0.00 -1.58 0.00 0.00 42.46 38.85 2wmk s ILE 620 CO 0.01 0.54 -0.16 0.12 -1.23 0.00 0.00 174.94 174.22 2wmk s PHE 621 N 0.80 2.72 0.06 3.97 5.99 -1.06 -1.01 117.98 129.46 2wmk s PHE 621 Ca -0.07 -0.65 0.06 0.00 0.00 0.00 0.00 56.93 56.28 2wmk s PHE 621 Cb -0.16 -1.77 -0.03 0.00 0.00 0.00 0.00 43.02 41.07 2wmk s PHE 621 CO -0.01 -0.19 -0.16 -1.64 -0.00 0.00 0.00 175.22 173.22 2wmk s MET 622 N 0.14 0.97 0.88 10.12 -1.94 -0.15 -1.72 119.30 127.61 2wmk s MET 622 Ca -0.08 -0.93 -0.12 0.00 -1.71 0.00 0.00 55.69 52.85 2wmk s MET 622 Cb -0.15 -1.04 0.12 0.00 2.01 0.00 0.00 34.83 35.77 2wmk s MET 622 CO 0.05 0.25 1.13 -0.59 -0.01 0.00 0.00 175.02 175.85 2wmk s PHE 623 N -1.06 2.60 -0.30 -0.03 -0.12 -0.65 -0.82 117.98 117.59 2wmk s PHE 623 Ca 0.02 0.93 -0.03 0.00 -0.05 0.00 0.00 56.93 57.80 2wmk s PHE 623 Cb -0.09 -3.32 0.11 0.00 -0.63 0.00 0.00 43.02 39.09 2wmk s PHE 623 CO 0.02 -2.21 0.17 0.21 -0.05 0.00 0.00 175.22 173.36 2wmk s LYS 624 N -5.25 0.28 -0.02 1.99 2.20 -1.15 -0.74 119.74 117.05 2wmk s LYS 624 Ca 0.63 -0.62 0.08 0.00 -0.36 0.00 0.00 55.97 55.70 2wmk s LYS 624 Cb -0.15 -1.10 0.27 0.00 -1.51 0.00 0.00 37.83 35.34 2wmk s LYS 624 CO 0.53 -1.06 1.15 0.27 -0.36 0.00 0.00 175.35 175.89 2wmk n ASN 625 N 5.03 1.85 -0.25 1.43 0.23 -0.74 -4.38 115.26 118.43 2wmk n ASN 625 Ca -0.02 -2.09 -0.03 0.00 -0.53 0.00 0.00 54.58 51.91 2wmk n ASN 625 Cb 0.42 -0.29 0.03 0.00 -2.08 0.00 0.00 39.78 37.86 2wmk n ASN 625 CO 0.00 0.00 0.00 0.74 -0.93 0.00 0.00 177.26 177.07 2wmk h THR 626 N 1.63 0.14 -0.36 5.53 2.02 -1.84 -3.29 112.91 116.74 2wmk h THR 626 Ca 0.00 0.00 -0.69 0.00 0.77 0.00 0.00 66.41 66.49 2wmk h THR 626 Cb 0.55 0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 67.08 2wmk h THR 626 CO 0.05 0.00 3.37 -0.81 0.37 0.00 0.00 175.52 178.50 2wmk n PRO 627 N -5.45 3.91 0.27 6.66 -0.04 -1.26 -4.07 135.00 135.02 2wmk n PRO 627 Ca 0.07 -2.61 0.18 0.00 -0.04 0.00 0.00 63.50 61.09 2wmk n PRO 627 Cb 0.37 -2.78 0.78 0.00 -0.04 0.00 0.00 33.50 31.83 2wmk n PRO 627 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wmk h ALA 628 N 4.96 1.00 0.00 0.55 0.00 -1.85 -2.58 119.26 121.34 2wmk h ALA 628 Ca 0.80 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.66 2wmk h ALA 628 Cb 0.31 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2wmk h ALA 628 CO 1.70 0.00 -0.23 0.00 0.00 0.00 0.00 179.25 180.72 2wmk h ALA 629 N 2.03 1.25 -0.00 0.00 0.00 -1.84 -2.45 119.26 118.25 2wmk h ALA 629 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2wmk h ALA 629 Cb 0.37 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2wmk h ALA 629 CO 0.00 0.29 -0.05 0.39 0.00 0.00 0.00 179.25 179.88 2wmk n GLU 630 N -3.73 0.16 -1.77 0.00 4.71 -0.97 -4.92 120.64 114.12 2wmk n GLU 630 Ca -0.01 -0.02 -0.11 0.00 -0.01 0.00 0.00 57.16 57.01 2wmk n GLU 630 Cb 0.34 -1.50 -0.03 0.00 -1.01 0.00 0.00 31.44 29.25 2wmk n GLU 630 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2wmk n GLY 631 N 1.43 0.57 1.01 0.62 0.00 -0.92 -4.68 105.19 103.21 2wmk n GLY 631 Ca 0.09 -0.47 0.05 0.00 0.00 0.00 0.00 46.02 45.68 2wmk n GLY 631 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wmk n ASN 632 N 0.06 2.87 0.14 1.61 5.03 -1.26 -3.26 115.26 120.45 2wmk n ASN 632 Ca -0.12 -2.28 -0.14 0.00 0.87 0.00 0.00 54.58 52.91 2wmk n ASN 632 Cb 0.48 -0.46 -0.08 0.00 -1.02 0.00 0.00 39.78 38.70 2wmk n ASN 632 CO 0.00 0.00 0.00 0.44 -1.83 0.00 0.00 177.26 175.87 2wmk h ASP 633 N 2.11 -0.25 -0.38 6.41 3.45 -1.88 -0.96 116.42 124.92 2wmk h ASP 633 Ca 0.00 -0.03 -0.09 0.00 0.43 0.00 0.00 57.03 57.33 2wmk h ASP 633 Cb 0.96 0.06 -0.02 0.00 -0.56 0.00 0.00 39.33 39.77 2wmk h ASP 633 CO 0.15 -0.13 -0.09 0.77 -1.57 0.00 0.00 179.24 178.37 2wmk h SER 634 N -0.35 0.81 0.16 6.45 4.64 -1.83 -1.31 113.55 122.12 2wmk h SER 634 Ca -0.03 -0.24 -0.28 0.00 -0.47 0.00 0.00 61.79 60.77 2wmk h SER 634 Cb 0.27 -0.22 0.02 0.00 -0.31 0.00 0.00 62.40 62.16 2wmk h SER 634 CO 0.05 0.93 -1.16 0.71 -0.87 0.00 0.00 176.83 176.49 2wmk h THR 635 N 0.75 1.31 -0.40 2.95 1.35 -1.86 -0.25 112.91 116.76 2wmk h THR 635 Ca 0.13 -2.45 -0.08 0.00 -0.55 0.00 0.00 66.41 63.46 2wmk h THR 635 Cb 0.58 2.60 -0.01 0.00 -1.73 0.00 0.00 68.15 69.59 2wmk h THR 635 CO 0.04 0.74 -0.06 0.74 -0.25 0.00 0.00 175.52 176.73 2wmk h THR 636 N 0.29 1.27 -0.41 6.82 2.02 -1.11 -1.83 112.91 119.96 2wmk h THR 636 Ca -0.16 -1.13 -0.09 0.00 0.77 0.00 0.00 66.41 65.81 2wmk h THR 636 Cb 1.83 1.19 -0.02 0.00 -1.74 0.00 0.00 68.15 69.41 2wmk h THR 636 CO 0.22 0.38 -0.11 -0.08 0.37 0.00 0.00 175.52 176.30 2wmk h GLU 637 N 0.56 0.72 -0.37 6.66 4.81 -1.16 0.09 114.58 125.90 2wmk h GLU 637 Ca 0.10 -0.23 0.05 0.00 -0.13 0.00 0.00 59.36 59.16 2wmk h GLU 637 Cb 0.57 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.84 2wmk h GLU 637 CO 0.03 0.80 0.07 1.03 -0.73 0.00 0.00 179.01 180.22 2wmk h SER 638 N 0.65 0.01 -0.71 1.04 0.87 -0.91 -1.55 113.55 112.95 2wmk h SER 638 Ca 0.11 0.06 -0.06 0.00 -1.23 0.00 0.00 61.79 60.68 2wmk h SER 638 Cb 0.56 0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 62.57 2wmk h SER 638 CO 0.03 0.04 0.23 1.88 -0.53 0.00 0.00 176.83 178.49 2wmk h TYR 639 N 0.20 1.14 -0.40 2.24 0.05 -0.77 -0.17 116.97 119.25 2wmk h TYR 639 Ca 0.17 -0.11 0.01 0.00 0.05 0.00 0.00 58.73 58.85 2wmk h TYR 639 Cb 0.20 -0.33 -0.02 0.00 1.01 0.00 0.00 36.73 37.59 2wmk h TYR 639 CO -0.19 0.91 0.26 0.52 -1.05 0.00 0.00 178.16 178.61 2wmk h MET 640 N 1.05 0.51 -0.16 4.88 2.86 -0.68 0.11 114.93 123.50 2wmk h MET 640 Ca 0.23 -0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.85 2wmk h MET 640 Cb 0.30 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 2wmk h MET 640 CO -0.01 0.34 0.07 -0.22 1.06 0.00 0.00 176.91 178.15 2wmk h LYS 641 N 0.53 0.15 -0.53 1.72 3.64 -1.17 -2.25 116.57 118.67 2wmk h LYS 641 Ca 0.15 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.44 2wmk h LYS 641 Cb -0.05 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.72 2wmk h LYS 641 CO -0.04 0.10 -0.01 0.78 -2.27 0.00 0.00 179.45 178.01 2wmk h GLY 642 N 0.16 0.97 1.01 5.01 0.00 -0.82 -1.14 103.07 108.25 2wmk h GLY 642 Ca 0.06 -0.68 -0.03 0.00 0.00 0.00 0.00 47.33 46.68 2wmk h GLY 642 CO -0.05 0.63 0.30 1.41 0.00 0.00 0.00 176.54 178.83 2wmk h LEU 643 N 0.83 0.90 -0.17 3.11 3.38 -0.72 -1.38 115.31 121.26 2wmk h LEU 643 Ca 0.15 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 2wmk h LEU 643 Cb 0.51 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 2wmk h LEU 643 CO 0.03 0.81 0.04 -0.25 0.09 0.00 0.00 178.44 179.15 2wmk h TRP 644 N 0.94 0.29 0.00 1.13 7.01 -1.17 0.37 115.95 124.52 2wmk h TRP 644 Ca 0.23 -0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.16 2wmk h TRP 644 Cb 0.16 -0.08 -0.00 0.00 -2.10 0.00 0.00 29.16 27.14 2wmk h TRP 644 CO 0.01 0.40 -0.16 -0.07 -2.79 0.00 0.00 178.44 175.84 2wmk h LEU 645 N 0.09 0.00 -3.25 0.65 3.38 -1.02 -2.29 115.31 112.87 2wmk h LEU 645 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2wmk h LEU 645 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2wmk h LEU 645 CO 0.00 0.16 0.00 -1.54 0.09 0.00 0.00 178.44 177.15 2wmk n SER 646 N -4.10 5.12 -2.77 -0.43 3.41 -0.54 -4.95 113.62 109.36 2wmk n SER 646 Ca -0.02 -2.66 -0.20 0.00 -0.26 0.00 0.00 58.87 55.72 2wmk n SER 646 Cb 0.23 -0.63 0.03 0.00 -0.26 0.00 0.00 64.21 63.59 2wmk n SER 646 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2wmk n ASN 647 N 0.87 -5.76 -1.08 4.04 3.02 -0.86 -4.89 115.26 110.60 2wmk n ASN 647 Ca 0.26 -0.26 0.12 0.00 -0.03 0.00 0.00 54.58 54.66 2wmk n ASN 647 Cb 1.02 -4.58 0.18 0.00 -0.61 0.00 0.00 39.78 35.78 2wmk n ASN 647 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2wmk n HIS 648 N -4.42 0.35 -3.55 3.10 8.25 0.13 -4.87 115.22 114.20 2wmk n HIS 648 Ca -0.10 -0.18 -0.16 0.00 -0.26 0.00 0.00 57.72 57.01 2wmk n HIS 648 Cb 0.61 -0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.66 2wmk n HIS 648 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 2wmk s THR 649 N -1.61 0.00 0.11 1.59 -1.32 -1.17 -4.88 115.64 108.36 2wmk s THR 649 Ca 0.35 0.00 -0.14 0.00 -1.21 0.00 0.00 61.69 60.69 2wmk s THR 649 Cb 0.22 -1.00 -0.07 0.00 -1.51 0.00 0.00 72.50 70.14 2wmk s THR 649 CO 0.31 0.00 1.45 0.22 -2.21 0.00 0.00 174.62 174.38 2wmk h TYR 650 N 3.28 0.90 -3.77 9.09 3.20 -0.15 -3.41 116.97 126.12 2wmk h TYR 650 Ca -0.26 -0.26 -0.09 0.00 3.14 0.00 0.00 58.73 61.25 2wmk h TYR 650 Cb 1.15 -0.19 -0.09 0.00 1.54 0.00 0.00 36.73 39.13 2wmk h TYR 650 CO 0.37 1.02 -0.16 -0.65 -1.64 0.00 0.00 178.16 177.10 2wmk s GLN 651 N -4.43 1.56 0.25 1.82 -1.52 -1.23 -5.05 119.66 111.07 2wmk s GLN 651 Ca -0.12 -1.34 0.01 0.00 -1.95 0.00 0.00 55.36 51.96 2wmk s GLN 651 Cb 0.09 0.45 -0.05 0.00 -0.22 0.00 0.00 33.01 33.29 2wmk s GLN 651 CO 0.84 -0.64 0.10 1.67 -0.25 0.00 0.00 175.29 177.01 2wmk s TRP 652 N -3.91 1.47 0.00 0.91 1.48 -1.26 -2.55 118.94 115.08 2wmk s TRP 652 Ca 0.25 -1.22 0.00 0.00 -1.06 0.00 0.00 56.10 54.06 2wmk s TRP 652 Cb -0.00 -0.83 0.00 0.00 -1.16 0.00 0.00 33.47 31.48 2wmk s TRP 652 CO 0.10 -0.40 0.00 0.41 -4.06 0.00 0.00 176.95 173.01 2wmk n GLY 653 N -0.43 2.05 3.38 3.67 0.00 -0.70 -1.13 105.19 112.03 2wmk n GLY 653 Ca 0.00 -0.40 -0.15 0.00 0.00 0.00 0.00 46.02 45.47 2wmk n GLY 653 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wmk s GLY 654 N -0.09 -0.36 -0.25 -0.02 0.00 -0.58 -1.63 107.32 104.40 2wmk s GLY 654 Ca 0.00 0.95 -0.07 0.00 0.00 0.00 0.00 44.72 45.60 2wmk s GLY 654 CO 0.00 0.69 0.05 -2.27 0.00 0.00 0.00 173.10 171.57 2wmk s LEU 655 N -0.90 3.42 -0.16 0.66 0.20 0.08 -2.32 118.68 119.67 2wmk s LEU 655 Ca -0.09 -0.32 -0.05 0.00 0.69 0.00 0.00 54.13 54.35 2wmk s LEU 655 Cb -0.03 -1.89 -0.03 0.00 -0.43 0.00 0.00 46.19 43.81 2wmk s LEU 655 CO 0.05 -0.06 0.01 -0.04 -0.29 0.00 0.00 176.35 176.02 2wmk s MET 656 N 1.58 3.78 -0.08 1.98 -1.94 -0.51 -1.80 119.30 122.31 2wmk s MET 656 Ca 0.06 -0.44 -0.00 0.00 -1.71 0.00 0.00 55.69 53.59 2wmk s MET 656 Cb -0.15 -3.03 0.02 0.00 2.01 0.00 0.00 34.83 33.68 2wmk s MET 656 CO 0.02 0.27 -0.04 0.34 -0.01 0.00 0.00 175.02 175.61 2wmk s ASP 657 N 0.31 1.72 0.39 3.03 2.15 -1.26 -2.15 116.67 120.86 2wmk s ASP 657 Ca -0.01 -0.18 0.28 0.00 0.43 0.00 0.00 52.55 53.07 2wmk s ASP 657 Cb -0.13 -0.61 1.34 0.00 -0.30 0.00 0.00 42.92 43.22 2wmk s ASP 657 CO 0.02 -0.13 1.84 0.71 -0.17 0.00 0.00 175.17 177.43 2wmk h THR 658 N 6.23 0.00 0.00 1.71 1.35 -1.09 -1.91 112.91 119.19 2wmk h THR 658 Ca -0.27 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.44 2wmk h THR 658 Cb 1.13 0.87 0.00 0.00 -1.73 0.00 0.00 68.15 68.42 2wmk h THR 658 CO 0.36 0.00 0.00 0.79 -0.25 0.00 0.00 175.52 176.42 2wmk n TRP 659 N -2.50 0.59 0.01 4.73 7.02 -1.26 -1.79 117.44 124.24 2wmk n TRP 659 Ca -0.00 0.29 0.20 0.00 -1.02 0.00 0.00 57.50 56.97 2wmk n TRP 659 Cb 0.14 -0.97 0.69 0.00 -2.42 0.00 0.00 31.31 28.75 2wmk n TRP 659 CO 0.00 0.00 0.00 1.57 -2.02 0.00 0.00 177.69 177.24 2wmk h LYS 660 N 0.00 0.00 -0.21 -0.99 2.10 -1.49 -0.76 116.57 115.22 2wmk h LYS 660 Ca 0.00 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.54 2wmk h LYS 660 Cb 0.06 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.38 2wmk h LYS 660 CO 0.00 0.00 -0.33 2.35 -2.00 0.00 0.00 179.45 179.47 2wmk h TRP 661 N 0.00 0.51 -0.06 0.07 2.91 -1.61 -1.82 115.95 115.95 2wmk h TRP 661 Ca 0.25 -0.13 -0.03 0.00 1.13 0.00 0.00 58.89 60.11 2wmk h TRP 661 Cb 0.99 -0.12 -0.00 0.00 -0.51 0.00 0.00 29.16 29.52 2wmk h TRP 661 CO 0.00 0.73 -0.08 -0.92 -1.03 0.00 0.00 178.44 177.14 2wmk h TYR 662 N 0.38 0.19 -0.01 2.65 3.20 -1.41 -1.90 116.97 120.08 2wmk h TYR 662 Ca 0.05 -0.06 -0.01 0.00 3.14 0.00 0.00 58.73 61.84 2wmk h TYR 662 Cb 0.77 -0.04 -0.00 0.00 1.54 0.00 0.00 36.73 39.00 2wmk h TYR 662 CO 0.02 0.64 -0.06 0.93 -1.64 0.00 0.00 178.16 178.05 2wmk h GLU 663 N -0.31 0.01 -0.18 1.82 4.39 -1.08 -1.89 114.58 117.34 2wmk h GLU 663 Ca 0.01 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.71 2wmk h GLU 663 Cb 0.61 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.26 2wmk h GLU 663 CO 0.02 0.08 0.00 0.25 -1.16 0.00 0.00 179.01 178.19 2wmk n THR 664 N -4.46 0.21 -1.40 1.13 -2.24 -0.69 -4.33 114.28 102.50 2wmk n THR 664 Ca -0.03 -0.52 -0.07 0.00 -2.27 0.00 0.00 64.05 61.16 2wmk n THR 664 Cb 0.15 0.96 -0.02 0.00 -2.10 0.00 0.00 70.33 69.31 2wmk n THR 664 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wmk n GLY 665 N 1.34 0.74 3.87 3.38 0.00 -0.71 -4.81 105.19 109.01 2wmk n GLY 665 Ca 0.17 -0.70 -0.30 0.00 0.00 0.00 0.00 46.02 45.18 2wmk n GLY 665 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wmk s LYS 666 N -2.96 2.94 0.00 1.61 1.02 -0.72 -0.59 119.74 121.04 2wmk s LYS 666 Ca 0.00 0.54 0.00 0.00 0.02 0.00 0.00 55.97 56.53 2wmk s LYS 666 Cb 0.00 -2.02 0.00 0.00 -0.52 0.00 0.00 37.83 35.29 2wmk s LYS 666 CO 0.00 -0.99 0.00 -2.67 -0.92 0.00 0.00 175.35 170.77 2wmk n TRP 667 N -2.99 0.00 -1.65 3.18 4.27 -1.26 -4.75 117.44 114.24 2wmk n TRP 667 Ca 0.07 0.00 -0.44 0.00 -3.89 0.00 0.00 57.50 53.24 2wmk n TRP 667 Cb 0.56 0.00 -0.02 0.00 -1.36 0.00 0.00 31.31 30.50 2wmk n TRP 667 CO 0.00 0.00 0.00 1.17 -2.29 0.00 0.00 177.69 176.57 2wmk n LYS 668 N 0.00 1.78 -1.70 -2.67 4.81 -1.26 -4.83 118.16 114.29 2wmk n LYS 668 Ca 0.00 0.63 -0.44 0.00 -0.87 0.00 0.00 58.31 57.63 2wmk n LYS 668 Cb 0.00 -2.14 -0.03 0.00 0.02 0.00 0.00 35.03 32.88 2wmk n LYS 668 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 2wmk n LEU 669 N 1.30 3.55 0.00 3.14 7.94 -1.26 -1.56 117.00 130.12 2wmk n LEU 669 Ca 0.09 1.12 0.00 0.00 -1.11 0.00 0.00 56.01 56.11 2wmk n LEU 669 Cb 0.33 -1.49 0.00 0.00 0.53 0.00 0.00 43.42 42.79 2wmk n LEU 669 CO 0.61 -0.19 0.00 0.49 -1.11 0.00 0.00 177.39 177.19 2wmk n PHE 670 N 2.53 0.00 -1.44 1.96 3.72 -1.26 -5.00 117.46 117.97 2wmk n PHE 670 Ca 0.12 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.22 2wmk n PHE 670 Cb 0.33 -0.77 0.09 0.00 -0.94 0.00 0.00 39.48 38.19 2wmk n PHE 670 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2wmk s ALA 671 N -2.46 2.23 0.17 4.37 0.00 -0.60 -4.93 121.76 120.54 2wmk s ALA 671 Ca 0.00 -0.02 -0.07 0.00 0.00 0.00 0.00 51.96 51.88 2wmk s ALA 671 Cb 0.00 -3.17 -0.06 0.00 0.00 0.00 0.00 23.12 19.89 2wmk s ALA 671 CO 0.00 -1.72 0.43 0.45 0.00 0.00 0.00 175.76 174.92 2wmk s SER 672 N -3.69 6.54 0.00 0.00 0.15 -1.26 -4.97 113.70 110.47 2wmk s SER 672 Ca 0.61 0.70 0.00 0.00 0.70 0.00 0.00 55.95 57.96 2wmk s SER 672 Cb -0.15 -2.14 0.00 0.00 -1.71 0.00 0.00 66.02 62.02 2wmk s SER 672 CO 0.55 0.02 0.00 0.61 1.20 0.00 0.00 173.24 175.62 2wmk n GLY 673 N 0.06 1.68 3.33 9.45 0.00 -1.26 -4.31 105.19 114.14 2wmk n GLY 673 Ca -0.02 -1.70 -0.32 0.00 0.00 0.00 0.00 46.02 43.98 2wmk n GLY 673 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2wmk s ASN 674 N -0.31 3.55 0.00 1.61 3.84 -1.26 -4.75 114.94 117.62 2wmk s ASN 674 Ca 0.00 -0.41 0.20 0.00 0.21 0.00 0.00 52.86 52.86 2wmk s ASN 674 Cb 0.00 -1.23 0.24 0.00 -0.55 0.00 0.00 41.25 39.71 2wmk s ASN 674 CO 0.00 0.22 1.21 2.30 -2.79 0.00 0.00 177.10 178.03 2wmk n ILE 675 N 3.17 0.21 -5.00 -5.21 -5.35 0.25 -4.90 119.36 102.53 2wmk n ILE 675 Ca -0.18 -0.61 0.00 0.00 -0.27 0.00 0.00 62.75 61.69 2wmk n ILE 675 Cb 0.52 1.22 0.00 0.00 -1.74 0.00 0.00 39.64 39.65 2wmk n ILE 675 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wmk n GLY 676 N 1.18 0.98 2.56 3.28 0.00 -1.24 -3.96 105.19 108.00 2wmk n GLY 676 Ca 0.14 -0.76 -0.41 0.00 0.00 0.00 0.00 46.02 44.99 2wmk n GLY 676 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wmk n LYS 677 N 0.00 4.51 -0.00 1.61 5.02 -1.26 -4.12 118.16 123.93 2wmk n LYS 677 Ca 0.00 -3.59 0.01 0.00 -2.02 0.00 0.00 58.31 52.70 2wmk n LYS 677 Cb 0.00 -2.66 -0.01 0.00 -0.02 0.00 0.00 35.03 32.34 2wmk n LYS 677 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2wmk n SER 678 N 1.90 2.07 -2.67 4.39 3.41 -1.25 -4.78 113.62 116.70 2wmk n SER 678 Ca 0.57 -0.30 -0.09 0.00 -0.26 0.00 0.00 58.87 58.79 2wmk n SER 678 Cb 0.27 1.03 0.03 0.00 -0.26 0.00 0.00 64.21 65.28 2wmk n SER 678 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wmk n GLN 679 N -1.27 1.16 -0.20 4.33 1.13 -1.26 -4.97 117.38 116.29 2wmk n GLN 679 Ca 0.00 -3.24 -0.05 0.00 -1.94 0.00 0.00 57.00 51.76 2wmk n GLN 679 Cb 0.03 -1.24 0.01 0.00 0.11 0.00 0.00 30.24 29.15 2wmk n GLN 679 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 2wmk h GLY 680 N 2.98 -0.09 2.00 1.08 0.00 -1.94 0.68 103.07 107.78 2wmk h GLY 680 Ca -0.10 0.43 -0.06 0.00 0.00 0.00 0.00 47.33 47.60 2wmk h GLY 680 CO 0.49 -0.21 -0.28 -0.55 0.00 0.00 0.00 176.54 175.99 2wmk h ASP 681 N -0.16 0.00 -0.12 0.19 3.32 -1.95 -0.36 116.42 117.35 2wmk h ASP 681 Ca 0.23 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 57.05 2wmk h ASP 681 Cb 0.55 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.11 2wmk h ASP 681 CO -0.68 0.28 -0.83 0.03 -1.72 0.00 0.00 179.24 176.32 2wmk h ARG 682 N 0.00 0.77 -0.31 3.56 3.08 -1.70 -3.36 114.38 116.42 2wmk h ARG 682 Ca -0.00 -0.67 -0.16 0.00 0.07 0.00 0.00 59.98 59.21 2wmk h ARG 682 Cb 0.80 0.15 -0.00 0.00 0.08 0.00 0.00 29.97 31.00 2wmk h ARG 682 CO 0.04 1.27 -0.43 1.96 -1.07 0.00 0.00 179.97 181.74 2wmk h GLN 683 N 0.50 0.83 0.00 0.04 4.20 -0.02 -2.83 115.11 117.83 2wmk h GLN 683 Ca -0.07 -0.49 0.00 0.00 0.06 0.00 0.00 58.65 58.15 2wmk h GLN 683 Cb 1.47 0.04 0.00 0.00 0.30 0.00 0.00 27.48 29.29 2wmk h GLN 683 CO 0.17 1.12 0.00 -2.67 -0.67 0.00 0.00 178.83 176.78 2wmk n TRP 684 N -4.10 0.00 0.63 2.96 4.27 -0.23 -1.98 117.44 118.99 2wmk n TRP 684 Ca -0.04 0.00 0.12 0.00 -3.89 0.00 0.00 57.50 53.69 2wmk n TRP 684 Cb 0.56 -0.34 0.17 0.00 -1.36 0.00 0.00 31.31 30.34 2wmk n TRP 684 CO 0.00 0.00 0.00 1.28 -2.29 0.00 0.00 177.69 176.68 2wmk n LEU 685 N -1.34 0.66 0.06 5.67 4.77 -1.07 -4.59 117.00 121.15 2wmk n LEU 685 Ca 0.08 0.18 -0.03 0.00 -0.03 0.00 0.00 56.01 56.22 2wmk n LEU 685 Cb 0.18 -0.19 -0.07 0.00 -2.33 0.00 0.00 43.42 41.01 2wmk n LEU 685 CO 0.16 -0.02 -0.00 0.74 -1.33 0.00 0.00 177.39 176.93 2wmk h THR 686 N 0.00 0.96 -2.12 -5.08 2.02 -1.37 -3.47 112.91 103.86 2wmk h THR 686 Ca 0.00 -2.53 -0.61 0.00 0.77 0.00 0.00 66.41 64.04 2wmk h THR 686 Cb 0.71 2.41 0.05 0.00 -1.74 0.00 0.00 68.15 69.59 2wmk h THR 686 CO 0.00 0.55 0.78 1.21 0.37 0.00 0.00 175.52 178.43 2wmk n GLU 687 N -3.13 1.96 -1.62 6.66 2.13 -1.26 -4.87 120.64 120.51 2wmk n GLU 687 Ca -0.05 0.71 -0.46 0.00 0.66 0.00 0.00 57.16 58.02 2wmk n GLU 687 Cb 0.87 -2.46 -0.02 0.00 0.27 0.00 0.00 31.44 30.09 2wmk n GLU 687 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 2wmk n PRO 688 N 3.75 1.57 -0.14 5.31 -0.02 -1.26 -4.89 135.00 139.31 2wmk n PRO 688 Ca 0.18 0.55 -0.04 0.00 -2.02 0.00 0.00 63.50 62.17 2wmk n PRO 688 Cb 0.27 -2.07 0.05 0.00 -0.02 0.00 0.00 33.50 31.73 2wmk n PRO 688 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2wmk h GLU 689 N 3.09 0.32 0.00 -0.52 3.07 -1.90 -2.01 114.58 116.63 2wmk h GLU 689 Ca -0.43 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.41 2wmk h GLU 689 Cb 1.32 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 29.15 2wmk h GLU 689 CO 0.68 0.21 0.00 0.66 -1.40 0.00 0.00 179.01 179.16 2wmk h SER 690 N 0.33 0.00 -0.18 1.42 4.64 -1.62 -2.57 113.55 115.57 2wmk h SER 690 Ca 0.21 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.49 2wmk h SER 690 Cb 0.21 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.28 2wmk h SER 690 CO -0.22 0.00 -0.00 -0.03 -0.87 0.00 0.00 176.83 175.71 2wmk h MET 691 N 0.00 0.44 -0.80 4.77 -1.53 -1.66 -1.88 114.93 114.27 2wmk h MET 691 Ca 0.00 -0.08 0.06 0.00 -3.44 0.00 0.00 59.70 56.23 2wmk h MET 691 Cb 0.52 -0.07 -0.05 0.00 -0.55 0.00 0.00 31.60 31.46 2wmk h MET 691 CO 0.00 0.47 0.52 -0.07 0.14 0.00 0.00 176.91 177.97 2wmk h LEU 692 N 0.42 0.78 -0.66 3.39 -0.00 -1.54 -0.56 115.31 117.14 2wmk h LEU 692 Ca 0.09 0.00 -0.10 0.00 -0.00 0.00 0.00 57.88 57.87 2wmk h LEU 692 Cb 0.29 -0.17 -0.02 0.00 -0.00 0.00 0.00 40.66 40.76 2wmk h LEU 692 CO 0.01 0.51 -0.09 1.23 -0.00 0.00 0.00 178.44 180.09 2wmk h GLY 693 N 0.89 1.03 1.01 0.83 0.00 -1.51 0.33 103.07 105.64 2wmk h GLY 693 Ca 0.34 -0.80 -0.01 0.00 0.00 0.00 0.00 47.33 46.86 2wmk h GLY 693 CO -0.12 0.73 0.42 0.83 0.00 0.00 0.00 176.54 178.41 2wmk h GLU 694 N 0.85 1.00 -0.32 4.80 5.08 -0.82 -0.57 114.58 124.60 2wmk h GLU 694 Ca 0.14 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2wmk h GLU 694 Cb 0.63 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 2wmk h GLU 694 CO 0.04 0.73 0.19 0.93 -1.00 0.00 0.00 179.01 179.91 2wmk h GLU 695 N 1.00 0.44 -0.00 2.33 5.08 -0.96 -3.11 114.58 119.36 2wmk h GLU 695 Ca 0.26 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.51 2wmk h GLU 695 Cb 0.00 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 2wmk h GLU 695 CO -0.05 0.34 -0.33 0.00 -1.00 0.00 0.00 179.01 177.98 2wmk h ALA 696 N 1.07 1.46 0.00 3.43 0.00 -0.63 -1.31 119.26 123.28 2wmk h ALA 696 Ca 0.12 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 2wmk h ALA 696 Cb 0.02 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 2wmk h ALA 696 CO -0.02 0.41 -0.17 -0.07 0.00 0.00 0.00 179.25 179.40 2wmk h LEU 697 N 0.00 0.00 -1.45 0.00 3.38 -1.04 -1.62 115.31 114.58 2wmk h LEU 697 Ca -0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 2wmk h LEU 697 Cb 0.58 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 2wmk h LEU 697 CO 0.04 0.17 -0.23 1.23 0.09 0.00 0.00 178.44 179.74 2wmk h GLY 698 N 0.53 0.07 0.48 0.83 0.00 -1.25 -0.46 103.07 103.26 2wmk h GLY 698 Ca -0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 47.33 47.27 2wmk h GLY 698 CO 0.02 0.04 -0.15 -2.08 0.00 0.00 0.00 176.54 174.37 2wmk h VAL 699 N 0.06 0.48 -0.25 4.60 2.07 -1.38 -3.31 116.25 118.52 2wmk h VAL 699 Ca 0.01 -0.77 0.06 0.00 0.82 0.00 0.00 66.70 66.82 2wmk h VAL 699 Cb 0.44 0.76 -0.06 0.00 -1.52 0.00 0.00 31.29 30.91 2wmk h VAL 699 CO 0.03 0.11 -0.15 0.22 0.02 0.00 0.00 177.57 177.80 2wmk h TYR 700 N -0.96 -0.38 0.00 1.57 3.20 -1.18 -0.20 116.97 119.02 2wmk h TYR 700 Ca -0.04 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.86 2wmk h TYR 700 Cb 0.51 0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.98 2wmk h TYR 700 CO 0.04 -0.22 0.00 1.28 -1.64 0.00 0.00 178.16 177.61 2wmk n LEU 701 N -5.31 0.18 -0.38 2.82 4.77 -0.20 -1.84 117.00 117.05 2wmk n LEU 701 Ca -0.01 0.55 0.09 0.00 -0.03 0.00 0.00 56.01 56.61 2wmk n LEU 701 Cb 0.23 -0.52 0.18 0.00 -2.33 0.00 0.00 43.42 40.98 2wmk n LEU 701 CO 0.18 -0.34 0.62 0.59 -1.33 0.00 0.00 177.39 177.10 2wmk n ASN 702 N -1.70 2.91 0.00 -1.43 4.13 -0.91 -4.89 115.26 113.36 2wmk n ASN 702 Ca 0.03 -3.01 0.00 0.00 1.68 0.00 0.00 54.58 53.28 2wmk n ASN 702 Cb 0.18 -0.45 0.00 0.00 -1.54 0.00 0.00 39.78 37.97 2wmk n ASN 702 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2wmk n GLY 703 N -1.04 0.67 3.80 7.41 0.00 -0.76 -4.98 105.19 110.29 2wmk n GLY 703 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 2wmk n GLY 703 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wmk s GLY 704 N -1.37 2.49 0.00 -0.02 0.00 -0.14 -4.79 107.32 103.49 2wmk s GLY 704 Ca 0.00 0.59 0.00 0.00 0.00 0.00 0.00 44.72 45.31 2wmk s GLY 704 CO 0.00 0.90 0.17 3.33 0.00 0.00 0.00 173.10 177.50 2wmk n VAL 705 N -1.00 0.03 -5.05 1.40 0.24 -0.28 -4.23 118.33 109.43 2wmk n VAL 705 Ca 0.09 -0.11 -0.30 0.00 -2.04 0.00 0.00 64.34 61.98 2wmk n VAL 705 Cb 0.53 1.68 -0.17 0.00 -1.47 0.00 0.00 33.84 34.41 2wmk n VAL 705 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 2wmk s VAL 706 N -0.03 1.79 -0.01 3.34 1.01 -1.16 -0.74 120.40 124.60 2wmk s VAL 706 Ca 0.00 -0.88 0.03 0.00 0.00 0.00 0.00 61.98 61.13 2wmk s VAL 706 Cb 0.00 -1.55 -0.00 0.00 0.00 0.00 0.00 36.38 34.83 2wmk s VAL 706 CO 0.00 0.50 -0.10 -0.31 0.00 0.00 0.00 175.10 175.19 2wmk s TYR 707 N 0.26 0.95 0.06 5.22 2.02 -0.29 -1.52 117.35 124.05 2wmk s TYR 707 Ca -0.13 -0.20 -0.18 0.00 -0.37 0.00 0.00 57.07 56.19 2wmk s TYR 707 Cb -0.16 -0.63 0.04 0.00 -0.40 0.00 0.00 41.96 40.80 2wmk s TYR 707 CO 0.06 -0.05 0.41 1.21 -1.57 0.00 0.00 175.55 175.62 2wmk s ASN 708 N -0.10 -0.27 0.05 2.29 3.84 -0.98 -1.14 114.94 118.63 2wmk s ASN 708 Ca 0.02 -0.07 -0.04 0.00 0.21 0.00 0.00 52.86 52.97 2wmk s ASN 708 Cb -0.06 0.44 -0.02 0.00 -0.55 0.00 0.00 41.25 41.06 2wmk s ASN 708 CO -0.00 -0.71 0.06 -0.36 -2.79 0.00 0.00 177.10 173.30 2wmk s PHE 709 N -2.80 0.31 0.08 0.43 0.08 -1.26 -1.42 117.98 113.39 2wmk s PHE 709 Ca -0.03 -0.71 -0.01 0.00 0.12 0.00 0.00 56.93 56.30 2wmk s PHE 709 Cb -0.00 -0.22 -0.04 0.00 -0.57 0.00 0.00 43.02 42.19 2wmk s PHE 709 CO -0.05 -0.38 -0.02 -1.21 -0.10 0.00 0.00 175.22 173.46 2wmk s GLU 710 N -3.15 0.72 0.19 0.44 2.02 -0.91 -4.37 118.70 113.63 2wmk s GLU 710 Ca -0.00 -1.29 -0.30 0.00 0.02 0.00 0.00 54.97 53.40 2wmk s GLU 710 Cb 0.02 0.15 -0.08 0.00 0.10 0.00 0.00 34.13 34.32 2wmk s GLU 710 CO -0.07 -0.13 1.17 -1.58 0.02 0.00 0.00 175.26 174.67 2wmk s HIS 711 N -3.90 3.46 0.51 1.61 2.46 -1.26 -0.50 115.29 117.67 2wmk s HIS 711 Ca 0.12 1.47 0.15 0.00 0.47 0.00 0.00 55.06 57.27 2wmk s HIS 711 Cb 0.07 -3.39 1.23 0.00 -0.13 0.00 0.00 32.58 30.36 2wmk s HIS 711 CO -0.06 -1.06 2.13 -1.35 -2.47 0.00 0.00 174.74 171.93 2wmk h PRO 712 N 5.17 0.03 -0.78 2.88 0.11 -1.96 -0.94 132.00 136.51 2wmk h PRO 712 Ca -0.45 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.62 2wmk h PRO 712 Cb 1.21 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 2wmk h PRO 712 CO 0.74 0.03 0.32 0.00 -0.21 0.00 0.00 178.00 178.88 2wmk h ALA 713 N 1.97 1.01 0.07 -0.75 0.00 -1.94 -0.27 119.26 119.35 2wmk h ALA 713 Ca 0.01 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.63 2wmk h ALA 713 Cb 0.02 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 17.51 2wmk h ALA 713 CO -0.00 0.63 -0.45 -0.92 0.00 0.00 0.00 179.25 178.51 2wmk h TYR 714 N 1.12 0.27 0.00 0.00 3.20 -1.79 -3.01 116.97 116.76 2wmk h TYR 714 Ca 0.26 -0.19 -0.09 0.00 3.14 0.00 0.00 58.73 61.84 2wmk h TYR 714 Cb 0.21 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.45 2wmk h TYR 714 CO 0.02 1.17 -0.44 1.79 -1.64 0.00 0.00 178.16 179.07 2wmk h THR 715 N -0.69 0.80 0.00 1.81 1.35 -1.18 -3.40 112.91 111.60 2wmk h THR 715 Ca -0.08 -1.96 -0.07 0.00 -0.55 0.00 0.00 66.41 63.75 2wmk h THR 715 Cb 1.33 2.27 -0.01 0.00 -1.73 0.00 0.00 68.15 70.01 2wmk h THR 715 CO 0.07 0.43 -1.02 -1.22 -0.25 0.00 0.00 175.52 173.53 2wmk n TYR 716 N -3.28 0.00 0.00 4.73 4.01 -0.17 -3.54 117.16 118.92 2wmk n TYR 716 Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.76 2wmk n TYR 716 Cb 0.67 -0.16 0.00 0.00 -0.31 0.00 0.00 39.34 39.53 2wmk n TYR 716 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2wmk n GLY 717 N 2.79 0.97 3.13 2.72 0.00 -0.86 -0.81 105.19 113.11 2wmk n GLY 717 Ca -0.08 -1.91 -0.08 0.00 0.00 0.00 0.00 46.02 43.95 2wmk n GLY 717 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2wmk s VAL 718 N -2.49 0.19 -1.47 1.61 -7.23 -1.07 -4.26 120.40 105.68 2wmk s VAL 718 Ca 0.00 -1.69 -0.11 0.00 -1.81 0.00 0.00 61.98 58.37 2wmk s VAL 718 Cb 0.00 -1.55 0.07 0.00 0.56 0.00 0.00 36.38 35.46 2wmk s VAL 718 CO 0.00 -0.86 0.80 0.59 -0.31 0.00 0.00 175.10 175.32 2wmk n ASN 719 N 0.05 -4.76 -1.50 4.85 3.02 0.41 -0.67 115.26 116.64 2wmk n ASN 719 Ca -0.13 -0.59 -0.19 0.00 -0.03 0.00 0.00 54.58 53.64 2wmk n ASN 719 Cb 0.62 -3.84 -0.07 0.00 -0.61 0.00 0.00 39.78 35.87 2wmk n ASN 719 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2wmk n ASN 720 N -2.64 -5.27 -4.51 6.41 3.02 -1.26 -4.85 115.26 106.16 2wmk n ASN 720 Ca 0.00 0.42 -0.30 0.00 -0.03 0.00 0.00 54.58 54.67 2wmk n ASN 720 Cb 0.54 -4.41 -0.11 0.00 -0.61 0.00 0.00 39.78 35.19 2wmk n ASN 720 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2wmk s LYS 721 N -3.71 2.09 0.05 3.52 1.02 0.15 -4.84 119.74 118.01 2wmk s LYS 721 Ca 0.00 -1.00 -0.30 0.00 0.02 0.00 0.00 55.97 54.70 2wmk s LYS 721 Cb 0.00 -2.24 -0.04 0.00 -0.52 0.00 0.00 37.83 35.03 2wmk s LYS 721 CO 0.00 0.53 0.95 -1.21 -0.92 0.00 0.00 175.35 174.70 2wmk s GLU 722 N -1.77 4.61 0.78 1.68 2.02 -1.26 -2.60 118.70 122.17 2wmk s GLU 722 Ca 0.17 1.40 -0.11 0.00 0.02 0.00 0.00 54.97 56.46 2wmk s GLU 722 Cb -0.11 -3.42 0.07 0.00 0.10 0.00 0.00 34.13 30.77 2wmk s GLU 722 CO 0.09 0.08 1.10 -1.54 0.02 0.00 0.00 175.26 175.01 2wmk s SER 723 N 0.53 4.33 0.37 -0.19 1.04 0.00 -4.80 113.70 114.99 2wmk s SER 723 Ca 0.49 1.88 0.09 0.00 0.48 0.00 0.00 55.95 58.89 2wmk s SER 723 Cb -0.22 -2.53 0.74 0.00 0.10 0.00 0.00 66.02 64.11 2wmk s SER 723 CO 0.28 -2.15 1.88 -0.07 0.98 0.00 0.00 173.24 174.16 2wmk h LEU 724 N -1.16 0.21 -0.28 2.42 3.38 -1.87 0.34 115.31 118.34 2wmk h LEU 724 Ca -0.44 -0.05 0.06 0.00 0.09 0.00 0.00 57.88 57.55 2wmk h LEU 724 Cb 1.24 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 41.87 2wmk h LEU 724 CO 0.50 0.41 -0.16 0.25 0.09 0.00 0.00 178.44 179.54 2wmk h LEU 725 N 0.20 -0.52 -0.07 1.67 6.46 -1.89 0.53 115.31 121.69 2wmk h LEU 725 Ca 0.04 0.12 -0.01 0.00 -0.12 0.00 0.00 57.88 57.91 2wmk h LEU 725 Cb 0.45 0.28 -0.00 0.00 -0.73 0.00 0.00 40.66 40.65 2wmk h LEU 725 CO 0.03 -0.19 0.01 0.15 -0.62 0.00 0.00 178.44 177.82 2wmk h PHE 726 N -0.13 0.13 -0.21 1.25 3.57 -1.41 -1.92 116.94 118.22 2wmk h PHE 726 Ca 0.15 -0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.49 2wmk h PHE 726 Cb 0.35 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 2wmk h PHE 726 CO -0.34 0.33 -0.46 0.66 -2.23 0.00 0.00 178.31 176.27 2wmk h SER 727 N -0.12 0.59 0.23 0.41 4.64 -0.80 0.49 113.55 119.00 2wmk h SER 727 Ca 0.02 -0.28 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 2wmk h SER 727 Cb 0.27 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 2wmk h SER 727 CO 0.00 0.97 -1.49 -0.62 -0.87 0.00 0.00 176.83 174.82 2wmk n GLU 728 N -4.00 0.46 0.02 4.77 -0.58 0.16 -4.24 120.64 117.24 2wmk n GLU 728 Ca -0.02 -0.08 0.00 0.00 -0.42 0.00 0.00 57.16 56.64 2wmk n GLU 728 Cb 0.55 -1.58 0.00 0.00 -0.57 0.00 0.00 31.44 29.84 2wmk n GLU 728 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2wmk n VAL 729 N -2.13 0.36 -0.13 2.62 0.31 -0.77 -4.31 118.33 114.27 2wmk n VAL 729 Ca -0.01 0.12 -0.12 0.00 -0.01 0.00 0.00 64.34 64.33 2wmk n VAL 729 Cb 0.50 -1.11 -0.02 0.00 -0.91 0.00 0.00 33.84 32.30 2wmk n VAL 729 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2wmk h ILE 730 N 0.00 1.28 -0.41 2.52 2.04 -1.21 0.33 117.51 122.05 2wmk h ILE 730 Ca 0.00 -1.28 -0.08 0.00 1.00 0.00 0.00 64.86 64.50 2wmk h ILE 730 Cb 0.00 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 2wmk h ILE 730 CO 0.00 0.43 -0.04 0.50 0.00 0.00 0.00 178.15 179.04 2wmk h LYS 731 N 0.63 0.76 -0.42 2.37 3.64 -0.25 0.19 116.57 123.49 2wmk h LYS 731 Ca 0.09 -0.26 -0.12 0.00 -1.27 0.00 0.00 60.65 59.10 2wmk h LYS 731 Cb 0.71 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.46 2wmk h LYS 731 CO 0.05 0.86 -0.19 0.93 -2.27 0.00 0.00 179.45 178.83 2wmk h GLU 732 N 0.58 0.87 -0.26 1.90 4.39 -1.69 -0.63 114.58 119.74 2wmk h GLU 732 Ca 0.11 -0.37 0.04 0.00 0.34 0.00 0.00 59.36 59.48 2wmk h GLU 732 Cb 0.54 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.13 2wmk h GLU 732 CO 0.03 1.02 0.04 0.35 -1.16 0.00 0.00 179.01 179.28 2wmk h PHE 733 N 0.69 0.06 -0.35 4.33 3.57 -0.88 -1.47 116.94 122.88 2wmk h PHE 733 Ca 0.09 0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.48 2wmk h PHE 733 Cb 0.75 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.49 2wmk h PHE 733 CO 0.06 0.01 -0.30 0.35 -2.23 0.00 0.00 178.31 176.20 2wmk h PHE 734 N 0.13 0.88 -0.91 0.41 3.57 -0.80 -0.68 116.94 119.54 2wmk h PHE 734 Ca 0.12 -0.22 0.08 0.00 3.53 0.00 0.00 57.97 61.48 2wmk h PHE 734 Cb 0.13 -0.20 -0.06 0.00 2.79 0.00 0.00 35.95 38.61 2wmk h PHE 734 CO -0.17 0.96 0.59 0.00 -2.23 0.00 0.00 178.31 177.46 2wmk h ARG 735 N 0.65 0.93 -0.41 1.11 3.08 -1.02 -2.07 114.38 116.64 2wmk h ARG 735 Ca 0.08 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 2wmk h ARG 735 Cb 0.82 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.64 2wmk h ARG 735 CO 0.07 0.62 0.22 -0.92 -1.07 0.00 0.00 179.97 178.89 2wmk h TYR 736 N 0.96 0.58 0.00 3.04 3.20 -0.04 -1.21 116.97 123.50 2wmk h TYR 736 Ca 0.41 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.26 2wmk h TYR 736 Cb 0.32 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.40 2wmk h TYR 736 CO -0.00 0.46 0.00 -0.39 -1.64 0.00 0.00 178.16 176.58 2wmk h VAL 737 N 0.53 0.00 0.03 1.81 -1.51 -0.95 0.32 116.25 116.48 2wmk h VAL 737 Ca 0.14 -0.45 -0.05 0.00 -1.23 0.00 0.00 66.70 65.12 2wmk h VAL 737 Cb 0.08 1.37 0.01 0.00 -2.13 0.00 0.00 31.29 30.61 2wmk h VAL 737 CO -0.02 0.00 -0.21 0.40 -1.23 0.00 0.00 177.57 176.50 2wmk h ILE 738 N 0.00 1.71 -0.10 7.19 2.04 -1.19 -3.27 117.51 123.89 2wmk h ILE 738 Ca 0.00 -2.36 -0.04 0.00 1.00 0.00 0.00 64.86 63.46 2wmk h ILE 738 Cb 0.63 3.30 -0.01 0.00 -0.74 0.00 0.00 36.82 40.01 2wmk h ILE 738 CO 0.00 0.63 -0.11 0.00 0.00 0.00 0.00 178.15 178.67 2wmk h ALA 739 N 0.04 1.64 -2.87 1.87 0.00 -0.88 -3.35 119.26 115.70 2wmk h ALA 739 Ca -0.04 -0.16 -0.61 0.00 0.00 0.00 0.00 54.91 54.11 2wmk h ALA 739 Cb 1.15 -0.06 -0.40 0.00 0.00 0.00 0.00 17.79 18.48 2wmk h ALA 739 CO 0.04 0.27 -0.73 -1.01 0.00 0.00 0.00 179.25 177.82 2wmk s HIS 740 N -4.79 2.45 0.29 0.00 3.76 0.11 -5.09 115.29 112.02 2wmk s HIS 740 Ca -0.05 -2.81 -0.29 0.00 -0.15 0.00 0.00 55.06 51.76 2wmk s HIS 740 Cb 0.16 -2.00 -0.13 0.00 1.11 0.00 0.00 32.58 31.71 2wmk s HIS 740 CO 0.71 -0.70 1.21 -2.30 -0.85 0.00 0.00 174.74 172.81 2wmk n PRO 741 N 2.68 1.78 -0.94 8.40 -0.02 -1.23 -4.51 135.00 141.16 2wmk n PRO 741 Ca 0.19 0.63 -0.34 0.00 -2.02 0.00 0.00 63.50 61.96 2wmk n PRO 741 Cb 0.38 -2.14 0.10 0.00 -0.02 0.00 0.00 33.50 31.82 2wmk n PRO 741 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wmk n ALA 742 N 0.65 -2.44 -1.78 3.55 0.00 -1.25 -4.86 120.51 114.38 2wmk n ALA 742 Ca 0.08 -0.51 -0.41 0.00 0.00 0.00 0.00 53.44 52.60 2wmk n ALA 742 Cb 0.33 -1.78 -0.01 0.00 0.00 0.00 0.00 19.45 18.00 2wmk n ALA 742 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2wmk s PRO 743 N -3.30 4.13 0.94 0.00 0.04 -1.26 -4.84 135.00 130.71 2wmk s PRO 743 Ca 0.58 2.55 -0.12 0.00 0.04 0.00 0.00 61.00 64.05 2wmk s PRO 743 Cb -0.25 -2.99 0.16 0.00 0.04 0.00 0.00 34.50 31.46 2wmk s PRO 743 CO 0.66 -0.53 1.09 -1.54 0.04 0.00 0.00 177.00 176.71 2wmk s SER 744 N -0.03 3.06 0.15 6.66 1.04 -1.26 -4.36 113.70 118.95 2wmk s SER 744 Ca 0.55 1.44 -0.18 0.00 0.48 0.00 0.00 55.95 58.24 2wmk s SER 744 Cb -0.46 -2.11 0.05 0.00 0.10 0.00 0.00 66.02 63.60 2wmk s SER 744 CO 0.59 -2.89 1.69 0.50 0.98 0.00 0.00 173.24 174.11 2wmk h LYS 745 N -1.73 0.03 -0.29 4.02 3.64 -1.93 0.10 116.57 120.42 2wmk h LYS 745 Ca -0.51 -0.00 0.07 0.00 -1.27 0.00 0.00 60.65 58.93 2wmk h LYS 745 Cb 1.30 -0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 33.04 2wmk h LYS 745 CO 0.55 0.02 -0.23 1.49 -2.27 0.00 0.00 179.45 179.01 2wmk h GLU 746 N 0.04 -0.20 0.14 1.90 4.81 -1.99 0.11 114.58 119.38 2wmk h GLU 746 Ca 0.16 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.42 2wmk h GLU 746 Cb 0.23 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.62 2wmk h GLU 746 CO -0.31 -0.14 -0.30 -0.22 -0.73 0.00 0.00 179.01 177.32 2wmk h LYS 747 N -0.21 -0.51 -0.92 1.92 3.11 -1.80 0.27 116.57 118.43 2wmk h LYS 747 Ca 0.15 0.03 0.11 0.00 -2.81 0.00 0.00 60.65 58.13 2wmk h LYS 747 Cb 0.45 0.12 -0.08 0.00 -1.00 0.00 0.00 32.23 31.71 2wmk h LYS 747 CO -0.41 -0.34 0.55 0.28 -2.81 0.00 0.00 179.45 176.72 2wmk h VAL 748 N -0.53 0.92 -0.06 2.00 2.07 -0.65 -0.28 116.25 119.73 2wmk h VAL 748 Ca 0.03 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 2wmk h VAL 748 Cb 0.55 -0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.25 2wmk h VAL 748 CO -0.16 0.16 -0.00 0.25 0.02 0.00 0.00 177.57 177.84 2wmk h LEU 749 N 0.90 0.11 -1.79 2.57 5.85 -0.40 -2.17 115.31 120.39 2wmk h LEU 749 Ca 0.45 -0.33 0.07 0.00 0.84 0.00 0.00 57.88 58.90 2wmk h LEU 749 Cb 0.42 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 2wmk h LEU 749 CO -0.25 0.42 0.28 1.05 -0.34 0.00 0.00 178.44 179.59 2wmk h GLU 750 N -0.20 0.25 -0.00 1.25 4.11 -0.59 -2.56 114.58 116.84 2wmk h GLU 750 Ca 0.02 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2wmk h GLU 750 Cb 0.36 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2wmk h GLU 750 CO 0.00 0.17 -0.14 -0.25 0.07 0.00 0.00 179.01 178.86 2wmk n ASP 751 N -4.47 0.21 -4.71 3.06 9.92 -0.15 -4.88 116.55 115.53 2wmk n ASP 751 Ca 0.06 0.06 -0.39 0.00 -0.53 0.00 0.00 54.79 53.98 2wmk n ASP 751 Cb 0.30 -0.22 -0.05 0.00 -0.64 0.00 0.00 41.12 40.50 2wmk n ASP 751 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 2wmk s THR 752 N -2.86 5.08 -0.10 -3.53 2.01 -0.85 -4.93 115.64 110.46 2wmk s THR 752 Ca 0.18 1.29 0.15 0.00 0.31 0.00 0.00 61.69 63.61 2wmk s THR 752 Cb 0.19 -3.97 -0.22 0.00 0.01 0.00 0.00 72.50 68.51 2wmk s THR 752 CO 0.55 0.25 0.18 0.29 -0.69 0.00 0.00 174.62 175.20 2wmk n LYS 753 N 3.94 1.09 -4.15 4.92 4.76 -1.26 -4.56 118.16 122.89 2wmk n LYS 753 Ca -0.03 -0.06 -0.16 0.00 -2.87 0.00 0.00 58.31 55.18 2wmk n LYS 753 Cb 0.51 -1.40 -0.15 0.00 -1.84 0.00 0.00 35.03 32.15 2wmk n LYS 753 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2wmk s VAL 754 N -2.68 0.42 -0.07 -0.18 1.01 -1.26 -1.32 120.40 116.31 2wmk s VAL 754 Ca -0.07 -0.20 -0.01 0.00 0.00 0.00 0.00 61.98 61.71 2wmk s VAL 754 Cb 0.07 -0.38 0.03 0.00 0.00 0.00 0.00 36.38 36.10 2wmk s VAL 754 CO 0.66 0.13 -0.03 0.12 0.00 0.00 0.00 175.10 175.99 2wmk s PHE 755 N 0.07 0.87 -0.05 5.22 5.36 -0.31 -4.34 117.98 124.80 2wmk s PHE 755 Ca -0.00 -0.30 -0.16 0.00 -0.96 0.00 0.00 56.93 55.50 2wmk s PHE 755 Cb -0.04 -0.86 -0.05 0.00 -0.34 0.00 0.00 43.02 41.72 2wmk s PHE 755 CO -0.00 -0.33 0.44 0.42 -1.46 0.00 0.00 175.22 174.28 2wmk s ILE 756 N 1.64 5.08 -0.21 3.12 1.01 -0.19 -1.06 121.20 130.60 2wmk s ILE 756 Ca 0.01 0.89 0.00 0.00 0.00 0.00 0.00 60.65 61.55 2wmk s ILE 756 Cb -0.13 -3.76 0.02 0.00 0.01 0.00 0.00 42.46 38.60 2wmk s ILE 756 CO -0.04 0.47 -0.14 -2.28 0.00 0.00 0.00 174.94 172.95 2wmk s HIS 757 N -0.34 2.93 0.00 3.97 5.65 0.04 -1.53 115.29 126.01 2wmk s HIS 757 Ca 0.24 -1.64 0.00 0.00 0.25 0.00 0.00 55.06 53.92 2wmk s HIS 757 Cb -0.16 -1.97 0.00 0.00 -1.18 0.00 0.00 32.58 29.27 2wmk s HIS 757 CO 0.12 -0.77 0.00 0.41 -0.65 0.00 0.00 174.74 173.85 2wmk n GLY 758 N 4.63 2.22 3.57 1.59 0.00 -0.49 -1.03 105.19 115.68 2wmk n GLY 758 Ca -0.19 -1.58 -0.41 0.00 0.00 0.00 0.00 46.02 43.84 2wmk n GLY 758 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wmk s ASP 759 N 0.00 6.38 0.57 1.61 1.01 -1.26 -3.76 116.67 121.21 2wmk s ASP 759 Ca 0.00 0.08 0.28 0.00 0.71 0.00 0.00 52.55 53.61 2wmk s ASP 759 Cb 0.00 -2.30 1.69 0.00 1.01 0.00 0.00 42.92 43.32 2wmk s ASP 759 CO 0.00 -0.53 2.21 1.88 0.21 0.00 0.00 175.17 178.94 2wmk h TYR 760 N 8.44 0.00 0.00 4.23 0.05 -1.95 -1.44 116.97 126.30 2wmk h TYR 760 Ca -0.27 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.51 2wmk h TYR 760 Cb 1.12 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.86 2wmk h TYR 760 CO 0.74 0.03 -0.00 0.66 -1.05 0.00 0.00 178.16 178.53 2wmk h SER 761 N 0.00 0.00 -0.08 3.88 4.64 -1.93 -0.60 113.55 119.46 2wmk h SER 761 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2wmk h SER 761 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 2wmk h SER 761 CO 0.00 0.00 0.00 -3.20 -0.87 0.00 0.00 176.83 172.77 2wmk n ASN 762 N -3.12 2.94 -2.09 4.97 5.15 -0.54 -4.42 115.26 118.15 2wmk n ASN 762 Ca -0.02 -1.93 -0.03 0.00 -0.60 0.00 0.00 54.58 51.99 2wmk n ASN 762 Cb 0.12 -0.04 0.05 0.00 -0.53 0.00 0.00 39.78 39.39 2wmk n ASN 762 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2wmk n LYS 763 N 1.28 1.65 -0.53 1.20 4.76 -0.50 -4.99 118.16 121.03 2wmk n LYS 763 Ca 0.14 -3.24 0.00 0.00 -2.87 0.00 0.00 58.31 52.34 2wmk n LYS 763 Cb 0.56 -1.34 0.00 0.00 -1.84 0.00 0.00 35.03 32.41 2wmk n LYS 763 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2wmk n GLY 764 N -0.40 0.75 7.00 0.72 0.00 -1.18 -4.25 105.19 107.83 2wmk n GLY 764 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2wmk n GLY 764 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wmk n ASN 765 N 0.00 0.00 0.30 1.61 3.02 -0.35 -1.55 115.26 118.29 2wmk n ASN 765 Ca 0.00 0.00 0.18 0.00 -0.03 0.00 0.00 54.58 54.73 2wmk n ASN 765 Cb 0.00 0.00 0.89 0.00 -0.61 0.00 0.00 39.78 40.06 2wmk n ASN 765 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 2wmk h GLY 766 N 0.00 0.00 0.84 7.41 0.00 -1.82 -1.40 103.07 108.09 2wmk h GLY 766 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 47.33 47.44 2wmk h GLY 766 CO 0.00 0.00 0.48 0.50 0.00 0.00 0.00 176.54 177.52 2wmk h LYS 767 N 0.00 0.00 -0.53 4.80 1.57 -1.57 -2.63 116.57 118.21 2wmk h LYS 767 Ca -0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2wmk h LYS 767 Cb 0.29 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 2wmk h LYS 767 CO 0.00 0.00 0.28 0.35 -0.57 0.00 0.00 179.45 179.52 2wmk h PHE 768 N 0.00 0.72 -0.01 -1.35 3.57 -1.40 -2.86 116.94 115.61 2wmk h PHE 768 Ca 0.18 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.67 2wmk h PHE 768 Cb 1.13 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.64 2wmk h PHE 768 CO 0.00 0.51 -0.43 1.19 -2.23 0.00 0.00 178.31 177.35 2wmk n PHE 769 N -4.39 0.00 -2.07 0.41 3.72 -0.99 -4.83 117.46 109.30 2wmk n PHE 769 Ca 0.05 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.03 2wmk n PHE 769 Cb 0.11 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.62 2wmk n PHE 769 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 2wmk s VAL 770 N -2.24 2.89 -0.06 -4.37 1.01 -1.08 -1.01 120.40 115.54 2wmk s VAL 770 Ca 0.16 0.70 0.00 0.00 0.00 0.00 0.00 61.98 62.83 2wmk s VAL 770 Cb 0.16 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 33.09 2wmk s VAL 770 CO 0.51 0.09 0.00 0.59 0.00 0.00 0.00 175.10 176.28 2wmk n ASN 771 N 3.07 -5.07 -0.00 3.32 5.03 0.43 -4.81 115.26 117.24 2wmk n ASN 771 Ca 0.09 0.01 -0.00 0.00 0.87 0.00 0.00 54.58 55.56 2wmk n ASN 771 Cb 0.41 -2.62 -0.00 0.00 -1.02 0.00 0.00 39.78 36.55 2wmk n ASN 771 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 2wmk n VAL 772 N -2.32 0.00 -0.91 2.41 0.31 -0.18 -4.94 118.33 112.70 2wmk n VAL 772 Ca -0.01 0.32 0.00 0.00 -0.01 0.00 0.00 64.34 64.65 2wmk n VAL 772 Cb 0.35 -1.32 0.00 0.00 -0.91 0.00 0.00 33.84 31.96 2wmk n VAL 772 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 2wmk n ASN 773 N -2.50 0.43 -4.34 4.52 0.23 -0.35 -4.85 115.26 108.41 2wmk n ASN 773 Ca -0.00 -1.34 -0.24 0.00 -0.53 0.00 0.00 54.58 52.47 2wmk n ASN 773 Cb 0.00 -0.03 -0.12 0.00 -2.08 0.00 0.00 39.78 37.55 2wmk n ASN 773 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 2wmk s THR 774 N -0.26 1.90 -1.67 5.53 -4.23 -0.67 -1.13 115.64 115.12 2wmk s THR 774 Ca 0.01 -1.80 0.25 0.00 -1.18 0.00 0.00 61.69 58.97 2wmk s THR 774 Cb 0.01 -1.80 0.11 0.00 1.34 0.00 0.00 72.50 72.15 2wmk s THR 774 CO 0.00 -0.16 1.35 -0.90 -0.54 0.00 0.00 174.62 174.37 2wmk n ASP 775 N 0.61 1.24 -3.61 3.99 5.75 -1.26 -0.42 116.55 122.84 2wmk n ASP 775 Ca -0.16 -1.00 -0.06 0.00 -0.01 0.00 0.00 54.79 53.57 2wmk n ASP 775 Cb 0.55 0.33 -0.02 0.00 -1.03 0.00 0.00 41.12 40.96 2wmk n ASP 775 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2wmk s ARG 776 N -2.61 0.97 0.16 0.11 1.70 -1.26 -4.82 118.95 113.20 2wmk s ARG 776 Ca 0.19 -0.45 -0.10 0.00 -0.47 0.00 0.00 55.73 54.91 2wmk s ARG 776 Cb 0.18 0.38 0.01 0.00 -0.57 0.00 0.00 34.95 34.96 2wmk s ARG 776 CO 0.59 -0.43 1.55 1.49 -1.08 0.00 0.00 175.30 177.41 2wmk h GLU 777 N 2.00 0.99 -3.53 3.89 4.81 -1.93 -3.38 114.58 117.42 2wmk h GLU 777 Ca -0.23 -0.43 -0.80 0.00 -0.13 0.00 0.00 59.36 57.77 2wmk h GLU 777 Cb 1.24 -0.03 -0.27 0.00 0.63 0.00 0.00 28.75 30.32 2wmk h GLU 777 CO 0.29 1.11 0.57 1.04 -0.73 0.00 0.00 179.01 181.28 2wmk n GLN 778 N -4.10 3.67 -3.63 1.92 6.02 -1.26 -4.36 117.38 115.64 2wmk n GLN 778 Ca -0.00 -4.43 -0.16 0.00 -0.01 0.00 0.00 57.00 52.40 2wmk n GLN 778 Cb 0.47 -2.57 -0.07 0.00 1.02 0.00 0.00 30.24 29.08 2wmk n GLN 778 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 2wmk s THR 779 N -1.34 0.02 -2.17 5.09 -1.32 -1.26 -5.02 115.64 109.63 2wmk s THR 779 Ca 0.32 -0.14 0.22 0.00 -1.21 0.00 0.00 61.69 60.88 2wmk s THR 779 Cb -0.07 -0.84 0.55 0.00 -1.51 0.00 0.00 72.50 70.63 2wmk s THR 779 CO -0.05 -0.08 1.48 -0.81 -2.21 0.00 0.00 174.62 172.96 2wmk n PRO 780 N 1.48 2.56 -3.97 7.08 -0.04 -1.26 -4.67 135.00 136.17 2wmk n PRO 780 Ca -0.18 -2.40 -0.23 0.00 -0.04 0.00 0.00 63.50 60.65 2wmk n PRO 780 Cb 0.56 -1.53 -0.06 0.00 -0.04 0.00 0.00 33.50 32.44 2wmk n PRO 780 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2wmk s LEU 781 N -1.18 3.30 0.22 1.53 1.43 -1.26 -4.71 118.68 118.00 2wmk s LEU 781 Ca 0.44 -0.79 0.10 0.00 -1.03 0.00 0.00 54.13 52.85 2wmk s LEU 781 Cb 0.24 -1.80 -0.04 0.00 0.03 0.00 0.00 46.19 44.61 2wmk s LEU 781 CO 0.32 -0.42 -0.13 -0.31 0.23 0.00 0.00 176.35 176.04 2wmk s TYR 782 N -2.45 2.50 -1.03 0.29 2.02 -1.26 -4.75 117.35 112.67 2wmk s TYR 782 Ca 0.41 -0.27 0.11 0.00 -0.37 0.00 0.00 57.07 56.95 2wmk s TYR 782 Cb -0.02 -1.18 -0.00 0.00 -0.40 0.00 0.00 41.96 40.36 2wmk s TYR 782 CO 0.24 0.57 0.68 0.00 -1.57 0.00 0.00 175.55 175.47 2wmk n MET 783 N -0.20 1.98 -3.72 -0.62 0.00 -0.29 -4.61 117.12 109.66 2wmk n MET 783 Ca -0.09 -0.65 -0.14 0.00 0.00 0.00 0.00 57.70 56.82 2wmk n MET 783 Cb 0.57 -1.12 -0.09 0.00 0.00 0.00 0.00 33.22 32.58 2wmk n MET 783 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 175.97 175.89 2wmk s THR 784 N -1.45 0.02 -2.18 3.17 -1.32 -1.25 -3.77 115.64 108.87 2wmk s THR 784 Ca 0.09 -0.21 0.23 0.00 -1.21 0.00 0.00 61.69 60.60 2wmk s THR 784 Cb 0.09 -0.65 0.56 0.00 -1.51 0.00 0.00 72.50 70.99 2wmk s THR 784 CO 0.28 -0.11 1.48 0.61 -2.21 0.00 0.00 174.62 174.67 2wmk n GLY 785 N 1.93 2.19 0.30 6.08 0.00 -0.91 -4.62 105.19 110.17 2wmk n GLY 785 Ca -0.18 -0.78 0.11 0.00 0.00 0.00 0.00 46.02 45.18 2wmk n GLY 785 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2wmk h ARG 786 N 4.38 0.39 -0.58 1.61 2.43 -1.94 -0.85 114.38 119.82 2wmk h ARG 786 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2wmk h ARG 786 Cb 0.99 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.46 2wmk h ARG 786 CO 0.00 0.26 0.00 0.66 -1.51 0.00 0.00 179.97 179.38 2wmk n TYR 787 N -5.05 0.78 -0.31 2.20 4.01 -1.26 -4.81 117.16 112.72 2wmk n TYR 787 Ca 0.20 -0.49 0.00 0.00 -0.16 0.00 0.00 57.90 57.45 2wmk n TYR 787 Cb 0.59 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.61 2wmk n TYR 787 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 2wmk n ASN 788 N 1.25 0.00 -4.52 7.72 6.94 -0.32 -3.86 115.26 122.47 2wmk n ASN 788 Ca 0.20 0.00 -0.37 0.00 -0.02 0.00 0.00 54.58 54.39 2wmk n ASN 788 Cb 0.55 0.00 -0.12 0.00 -2.36 0.00 0.00 39.78 37.86 2wmk n ASN 788 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 2wmk s VAL 789 N 0.00 4.82 -0.12 3.53 1.01 -1.26 -4.91 120.40 123.47 2wmk s VAL 789 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 61.98 61.69 2wmk s VAL 789 Cb 0.00 -3.27 -0.03 0.00 0.00 0.00 0.00 36.38 33.08 2wmk s VAL 789 CO 0.00 0.30 1.42 -0.63 0.00 0.00 0.00 175.10 176.19 2wmk s ILE 790 N 1.63 4.01 0.49 2.22 1.01 -1.25 -5.00 121.20 124.31 2wmk s ILE 790 Ca 0.07 1.22 -0.18 0.00 0.00 0.00 0.00 60.65 61.75 2wmk s ILE 790 Cb -0.15 -3.79 -0.08 0.00 0.01 0.00 0.00 42.46 38.44 2wmk s ILE 790 CO 0.07 -0.11 0.98 -2.16 0.00 0.00 0.00 174.94 173.72 2wmk s PRO 791 N 3.72 3.97 0.10 2.79 0.04 -1.26 -4.61 135.00 139.74 2wmk s PRO 791 Ca 0.62 1.05 -0.12 0.00 0.04 0.00 0.00 61.00 62.59 2wmk s PRO 791 Cb -0.26 -2.14 0.02 0.00 0.04 0.00 0.00 34.50 32.16 2wmk s PRO 791 CO 0.20 -0.26 0.29 0.00 0.04 0.00 0.00 177.00 177.28 2wmk s ALA 792 N -2.44 -0.57 0.10 8.56 0.00 -0.89 -1.02 121.76 125.49 2wmk s ALA 792 Ca 0.61 -0.31 0.05 0.00 0.00 0.00 0.00 51.96 52.30 2wmk s ALA 792 Cb -0.11 0.55 -0.04 0.00 0.00 0.00 0.00 23.12 23.53 2wmk s ALA 792 CO 0.26 -0.55 -0.12 0.96 0.00 0.00 0.00 175.76 176.30 2wmk s ILE 793 N -3.69 1.10 0.80 0.00 -4.36 -0.59 -3.60 121.20 110.86 2wmk s ILE 793 Ca 0.03 -1.60 -0.14 0.00 -0.26 0.00 0.00 60.65 58.68 2wmk s ILE 793 Cb 0.03 -1.36 0.05 0.00 1.25 0.00 0.00 42.46 42.44 2wmk s ILE 793 CO -0.11 -0.45 1.03 -2.65 0.24 0.00 0.00 174.94 173.01 2wmk n PRO 794 N 0.68 0.22 0.29 0.37 -0.02 -1.26 -1.39 135.00 133.89 2wmk n PRO 794 Ca -0.17 0.14 0.15 0.00 -2.02 0.00 0.00 63.50 61.60 2wmk n PRO 794 Cb 0.57 -2.30 0.86 0.00 -0.02 0.00 0.00 33.50 32.61 2wmk n PRO 794 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 2wmk h GLY 795 N -0.79 0.00 2.00 -1.23 0.00 -1.88 -2.19 103.07 98.99 2wmk h GLY 795 Ca -0.46 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.85 2wmk h GLY 795 CO 0.45 0.00 -0.09 -0.24 0.00 0.00 0.00 176.54 176.66 2wmk h VAL 796 N 0.00 0.36 -3.19 4.60 3.04 -1.91 -3.45 116.25 115.70 2wmk h VAL 796 Ca -0.00 -0.54 -0.46 0.00 -1.01 0.00 0.00 66.70 64.68 2wmk h VAL 796 Cb 0.18 1.40 0.04 0.00 -2.01 0.00 0.00 31.29 30.90 2wmk h VAL 796 CO 0.01 0.09 0.05 -0.76 -1.01 0.00 0.00 177.57 175.95 2wmk s LEU 797 N -6.79 3.39 -0.17 3.16 1.43 -0.82 -5.02 118.68 113.85 2wmk s LEU 797 Ca -0.02 0.47 -0.09 0.00 -1.03 0.00 0.00 54.13 53.46 2wmk s LEU 797 Cb 0.12 -3.31 -0.05 0.00 0.03 0.00 0.00 46.19 42.98 2wmk s LEU 797 CO 0.56 -0.95 0.15 -0.54 0.23 0.00 0.00 176.35 175.80 2wmk s LYS 798 N -4.81 3.93 0.00 1.70 1.02 -1.26 -4.96 119.74 115.36 2wmk s LYS 798 Ca 0.52 -0.16 0.00 0.00 0.02 0.00 0.00 55.97 56.35 2wmk s LYS 798 Cb -0.10 -3.34 0.00 0.00 -0.52 0.00 0.00 37.83 33.87 2wmk s LYS 798 CO 0.42 0.47 0.00 0.25 -0.92 0.00 0.00 175.35 175.57 2wmk n THR 799 N 2.96 0.00 -3.78 2.17 -2.24 -1.26 -5.13 114.28 107.00 2wmk n THR 799 Ca -0.17 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.40 2wmk n THR 799 Cb 0.53 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.77 2wmk n THR 799 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2wmk n ASP 800 N 0.00 -1.96 0.00 3.42 5.75 -1.26 -5.19 116.55 117.31 2wmk n ASP 800 Ca 0.00 -0.59 0.00 0.00 -0.01 0.00 0.00 54.79 54.19 2wmk n ASP 800 Cb 0.00 -0.74 0.00 0.00 -1.03 0.00 0.00 41.12 39.35 2wmk n ASP 800 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 2wmk n ARG 812 N -2.67 0.00 -2.99 0.11 1.85 -1.26 -5.29 116.66 106.41 2wmk n ARG 812 Ca -0.07 0.00 -0.40 0.00 -1.00 0.00 0.00 57.85 56.38 2wmk n ARG 812 Cb 0.27 0.00 -0.05 0.00 -1.05 0.00 0.00 32.46 31.64 2wmk n ARG 812 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 2wmk s ILE 813 N 0.00 4.91 -0.33 8.89 1.01 -1.26 -4.93 121.20 129.49 2wmk s ILE 813 Ca 0.00 1.57 -0.24 0.00 0.00 0.00 0.00 60.65 61.99 2wmk s ILE 813 Cb 0.00 -4.10 0.01 0.00 0.01 0.00 0.00 42.46 38.38 2wmk s ILE 813 CO 0.00 0.29 0.81 -1.10 0.00 0.00 0.00 174.94 174.93 2wmk s GLN 814 N 0.49 3.89 -0.07 2.79 -0.21 -0.44 -4.96 119.66 121.14 2wmk s GLN 814 Ca 0.39 0.51 -0.21 0.00 0.02 0.00 0.00 55.36 56.07 2wmk s GLN 814 Cb -0.19 -3.76 -0.04 0.00 1.00 0.00 0.00 33.01 30.02 2wmk s GLN 814 CO 0.21 -0.76 0.61 0.42 -2.12 0.00 0.00 175.29 173.64 2wmk s ILE 815 N 3.07 5.06 -0.02 1.08 1.01 -1.26 -1.16 121.20 128.97 2wmk s ILE 815 Ca 0.33 1.24 0.01 0.00 0.00 0.00 0.00 60.65 62.23 2wmk s ILE 815 Cb -0.14 -3.94 0.01 0.00 0.01 0.00 0.00 42.46 38.40 2wmk s ILE 815 CO 0.15 0.31 -0.05 -0.54 0.00 0.00 0.00 174.94 174.81 2wmk s LYS 816 N 0.53 0.60 0.41 2.79 -0.14 -0.22 -4.95 119.74 118.76 2wmk s LYS 816 Ca 0.32 -0.13 -0.25 0.00 -1.36 0.00 0.00 55.97 54.55 2wmk s LYS 816 Cb -0.17 -0.62 -0.08 0.00 -1.68 0.00 0.00 37.83 35.28 2wmk s LYS 816 CO 0.15 0.01 1.18 -1.21 -0.76 0.00 0.00 175.35 174.72 2wmk s GLU 817 N 0.43 4.00 0.55 1.68 0.41 -1.26 -0.78 118.70 123.73 2wmk s GLU 817 Ca -0.05 1.84 0.31 0.00 -0.41 0.00 0.00 54.97 56.67 2wmk s GLU 817 Cb -0.09 -2.63 1.57 0.00 -1.78 0.00 0.00 34.13 31.20 2wmk s GLU 817 CO -0.00 -0.37 2.09 0.97 -0.49 0.00 0.00 175.26 177.46 2wmk h ILE 818 N 2.26 0.35 -0.01 -1.63 2.10 -1.44 -1.21 117.51 117.92 2wmk h ILE 818 Ca -0.49 -0.48 0.00 0.00 1.08 0.00 0.00 64.86 64.97 2wmk h ILE 818 Cb 1.24 1.35 0.00 0.00 -1.09 0.00 0.00 36.82 38.32 2wmk h ILE 818 CO 0.62 0.08 -0.01 0.35 -1.08 0.00 0.00 178.15 178.11 2wmk n THR 819 N -3.41 0.00 -1.67 2.19 -2.24 -1.26 -4.68 114.28 103.20 2wmk n THR 819 Ca -0.01 -0.10 -0.33 0.00 -2.27 0.00 0.00 64.05 61.34 2wmk n THR 819 Cb 0.24 -0.10 0.06 0.00 -2.10 0.00 0.00 70.33 68.42 2wmk n THR 819 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2wmk s SER 820 N -2.05 4.84 0.45 3.42 1.04 -0.46 -4.92 113.70 116.03 2wmk s SER 820 Ca 0.42 2.11 0.21 0.00 0.48 0.00 0.00 55.95 59.18 2wmk s SER 820 Cb 0.21 -2.56 1.20 0.00 0.10 0.00 0.00 66.02 64.97 2wmk s SER 820 CO 0.37 -1.81 1.87 -0.65 0.98 0.00 0.00 173.24 173.99 2wmk h PRO 821 N -0.04 0.28 0.00 4.02 0.11 -1.92 -2.17 132.00 132.29 2wmk h PRO 821 Ca -0.47 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.59 2wmk h PRO 821 Cb 1.26 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 2wmk h PRO 821 CO 0.53 0.18 -0.15 0.93 -0.21 0.00 0.00 178.00 179.28 2wmk h GLU 822 N 0.29 0.00 -0.48 1.05 3.07 -1.91 -2.82 114.58 113.78 2wmk h GLU 822 Ca 0.45 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.31 2wmk h GLU 822 Cb 1.30 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.21 2wmk h GLU 822 CO -0.13 0.15 0.00 1.19 -1.40 0.00 0.00 179.01 178.82 2wmk n PHE 823 N -3.38 1.28 0.12 4.33 3.72 -0.82 -2.58 117.46 120.12 2wmk n PHE 823 Ca -0.00 -0.69 -0.02 0.00 -0.05 0.00 0.00 57.45 56.69 2wmk n PHE 823 Cb 0.35 -0.28 0.11 0.00 -0.94 0.00 0.00 39.48 38.72 2wmk n PHE 823 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2wmk h SER 824 N 3.11 0.00 -5.31 4.37 4.64 -1.45 -3.46 113.55 115.45 2wmk h SER 824 Ca 0.00 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.19 2wmk h SER 824 Cb 1.43 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.39 2wmk h SER 824 CO 0.24 0.68 -0.42 -0.94 -0.87 0.00 0.00 176.83 175.52 2wmk s SER 825 N -6.73 0.12 0.19 4.97 1.04 -1.26 -5.03 113.70 106.99 2wmk s SER 825 Ca -0.00 -0.96 -0.13 0.00 0.48 0.00 0.00 55.95 55.34 2wmk s SER 825 Cb 0.11 0.39 0.19 0.00 0.10 0.00 0.00 66.02 66.82 2wmk s SER 825 CO 0.77 -0.84 1.72 0.74 0.98 0.00 0.00 173.24 176.61 2wmk h THR 826 N 2.64 0.74 -0.22 2.02 2.02 -1.91 0.53 112.91 118.74 2wmk h THR 826 Ca -0.33 -0.09 -0.01 0.00 0.77 0.00 0.00 66.41 66.75 2wmk h THR 826 Cb 1.22 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 68.07 2wmk h THR 826 CO 0.51 0.05 0.09 -0.61 0.37 0.00 0.00 175.52 175.93 2wmk h GLN 827 N 0.27 0.33 -0.77 6.66 4.15 -1.96 -2.29 115.11 121.49 2wmk h GLN 827 Ca 0.25 -0.06 -0.05 0.00 0.77 0.00 0.00 58.65 59.56 2wmk h GLN 827 Cb 0.32 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 27.93 2wmk h GLN 827 CO -0.31 0.38 0.27 0.00 -1.93 0.00 0.00 178.83 177.24 2wmk h ALA 828 N 0.93 1.01 -0.30 3.38 0.00 -1.75 -1.68 119.26 120.85 2wmk h ALA 828 Ca 0.07 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.80 2wmk h ALA 828 Cb 0.18 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 2wmk h ALA 828 CO -0.01 0.67 0.08 0.00 0.00 0.00 0.00 179.25 179.99 2wmk h ARG 829 N 1.14 0.19 -0.66 0.00 3.08 -0.63 -0.98 114.38 116.52 2wmk h ARG 829 Ca 0.25 -0.01 -0.08 0.00 0.07 0.00 0.00 59.98 60.21 2wmk h ARG 829 Cb 0.27 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.26 2wmk h ARG 829 CO -0.01 0.13 0.09 0.87 -1.07 0.00 0.00 179.97 179.98 2wmk h LYS 830 N 0.20 1.11 -0.22 0.04 1.57 -1.16 0.69 116.57 118.80 2wmk h LYS 830 Ca 0.14 -0.31 -0.01 0.00 -1.87 0.00 0.00 60.65 58.60 2wmk h LYS 830 Cb 0.13 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 2wmk h LYS 830 CO -0.16 1.02 0.10 0.93 -0.57 0.00 0.00 179.45 180.77 2wmk h GLU 831 N 1.03 0.32 0.06 3.15 5.08 -1.06 0.41 114.58 123.57 2wmk h GLU 831 Ca 0.20 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.50 2wmk h GLU 831 Cb 0.46 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.66 2wmk h GLU 831 CO 0.02 0.35 -0.03 -0.92 -1.00 0.00 0.00 179.01 177.43 2wmk h TYR 832 N 0.22 -0.08 -0.60 4.33 3.20 -1.05 -3.23 116.97 119.75 2wmk h TYR 832 Ca 0.08 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.90 2wmk h TYR 832 Cb 0.14 0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.41 2wmk h TYR 832 CO -0.02 0.24 0.21 -0.07 -1.64 0.00 0.00 178.16 176.88 2wmk h LEU 833 N -0.40 0.82 -1.80 2.82 3.38 -0.64 -2.79 115.31 116.70 2wmk h LEU 833 Ca -0.01 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 2wmk h LEU 833 Cb 0.35 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 2wmk h LEU 833 CO 0.01 0.75 -0.07 0.78 0.09 0.00 0.00 178.44 180.00 2wmk h ASN 834 N 0.87 0.00 1.71 -0.43 2.35 -0.21 0.66 115.58 120.53 2wmk h ASN 834 Ca 0.20 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 2wmk h ASN 834 Cb 0.21 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.58 2wmk h ASN 834 CO -0.01 0.07 -0.11 0.11 -1.65 0.00 0.00 177.43 175.84 2wmk h LYS 835 N 0.00 0.00 0.00 0.81 1.79 -1.52 -3.36 116.57 114.29 2wmk h LYS 835 Ca -0.00 0.00 -0.18 0.00 -2.18 0.00 0.00 60.65 58.29 2wmk h LYS 835 Cb 0.41 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.03 2wmk h LYS 835 CO 0.01 0.00 -2.02 1.28 -1.08 0.00 0.00 179.45 177.64 2wmk n LEU 836 N -2.77 0.00 -4.03 2.94 4.77 -0.24 -4.85 117.00 112.82 2wmk n LEU 836 Ca 0.04 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.71 2wmk n LEU 836 Cb 0.50 0.24 -0.15 0.00 -2.33 0.00 0.00 43.42 41.68 2wmk n LEU 836 CO 0.34 0.24 -0.43 -0.31 -1.33 0.00 0.00 177.39 175.89 2wmk s TYR 837 N -2.78 3.15 0.61 -1.77 2.02 0.06 -4.96 117.35 113.69 2wmk s TYR 837 Ca -0.08 -2.31 -0.14 0.00 -0.37 0.00 0.00 57.07 54.18 2wmk s TYR 837 Cb 0.08 -2.00 -0.03 0.00 -0.40 0.00 0.00 41.96 39.61 2wmk s TYR 837 CO 0.72 -0.87 1.04 -1.25 -1.57 0.00 0.00 175.55 173.62 2wmk s PRO 838 N 1.14 3.34 0.01 -1.71 0.04 -1.26 -4.54 135.00 132.01 2wmk s PRO 838 Ca -0.05 1.03 -0.30 0.00 0.04 0.00 0.00 61.00 61.72 2wmk s PRO 838 Cb -0.20 -2.04 -0.06 0.00 0.04 0.00 0.00 34.50 32.24 2wmk s PRO 838 CO -0.06 -0.78 1.49 1.41 0.04 0.00 0.00 177.00 179.10 2wmk s MET 839 N -4.49 4.25 -0.04 4.56 1.75 -1.26 -4.89 119.30 119.18 2wmk s MET 839 Ca 0.60 2.08 0.05 0.00 -1.25 0.00 0.00 55.69 57.17 2wmk s MET 839 Cb -0.14 -3.63 0.08 0.00 2.84 0.00 0.00 34.83 33.99 2wmk s MET 839 CO 0.43 -0.65 0.97 0.27 -0.65 0.00 0.00 175.02 175.39 2wmk n ASN 840 N 5.65 1.64 -3.73 1.11 6.94 -1.26 -5.04 115.26 120.57 2wmk n ASN 840 Ca 0.14 -2.16 -0.06 0.00 -0.02 0.00 0.00 54.58 52.49 2wmk n ASN 840 Cb 0.43 -0.14 -0.01 0.00 -2.36 0.00 0.00 39.78 37.70 2wmk n ASN 840 CO 0.00 0.00 0.00 -0.72 -1.03 0.00 0.00 177.26 175.51 2wmk s TYR 841 N -1.30 -0.13 0.11 -2.53 -0.85 -1.26 -4.76 117.35 106.63 2wmk s TYR 841 Ca 0.09 -0.28 0.09 0.00 -0.52 0.00 0.00 57.07 56.45 2wmk s TYR 841 Cb 0.08 0.69 -0.04 0.00 0.38 0.00 0.00 41.96 43.07 2wmk s TYR 841 CO 0.01 -1.09 -0.21 -1.21 -1.52 0.00 0.00 175.55 171.52 2wmk s GLU 842 N -3.48 1.68 0.00 -3.49 2.02 -0.76 -5.00 118.70 109.67 2wmk s GLU 842 Ca 0.12 -1.21 0.00 0.00 0.02 0.00 0.00 54.97 53.90 2wmk s GLU 842 Cb -0.04 -2.04 0.00 0.00 0.10 0.00 0.00 34.13 32.15 2wmk s GLU 842 CO 0.05 0.48 0.00 0.41 0.02 0.00 0.00 175.26 176.22 2wmk n GLY 843 N 0.95 3.06 3.41 -1.39 0.00 -1.26 -0.65 105.19 109.30 2wmk n GLY 843 Ca -0.16 -1.92 -0.45 0.00 0.00 0.00 0.00 46.02 43.49 2wmk n GLY 843 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wmk s ASP 844 N 0.00 6.91 -0.08 1.61 2.15 -1.14 -4.89 116.67 121.23 2wmk s ASP 844 Ca 0.00 -2.74 -0.30 0.00 0.43 0.00 0.00 52.55 49.94 2wmk s ASP 844 Cb 0.00 -2.33 0.11 0.00 -0.30 0.00 0.00 42.92 40.41 2wmk s ASP 844 CO 0.00 -0.73 0.92 -0.51 -0.17 0.00 0.00 175.17 174.68 2wmk s ILE 845 N 1.11 0.00 -0.02 4.11 2.07 -1.26 -4.11 121.20 123.10 2wmk s ILE 845 Ca 0.32 0.00 -0.30 0.00 -1.41 0.00 0.00 60.65 59.26 2wmk s ILE 845 Cb -0.06 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.50 2wmk s ILE 845 CO -0.06 0.00 1.00 0.12 -1.91 0.00 0.00 174.94 174.09 2wmk s PHE 846 N -2.10 3.61 -0.02 3.50 5.36 -0.78 -4.58 117.98 122.98 2wmk s PHE 846 Ca 0.01 1.65 -0.12 0.00 -0.96 0.00 0.00 56.93 57.51 2wmk s PHE 846 Cb -0.01 -3.15 0.02 0.00 -0.34 0.00 0.00 43.02 39.54 2wmk s PHE 846 CO -0.03 -0.14 0.25 0.00 -1.46 0.00 0.00 175.22 173.85 2wmk s ALA 847 N 1.25 -0.64 -0.08 11.12 0.00 -1.26 -1.44 121.76 130.71 2wmk s ALA 847 Ca 0.52 0.22 -0.07 0.00 0.00 0.00 0.00 51.96 52.63 2wmk s ALA 847 Cb -0.21 0.04 0.02 0.00 0.00 0.00 0.00 23.12 22.97 2wmk s ALA 847 CO 0.26 -0.23 0.21 -1.14 0.00 0.00 0.00 175.76 174.85 2wmk s GLN 848 N -1.22 0.24 -0.13 0.00 0.74 -0.45 -2.13 119.66 116.71 2wmk s GLN 848 Ca -0.13 0.29 -0.03 0.00 0.05 0.00 0.00 55.36 55.54 2wmk s GLN 848 Cb -0.06 0.11 -0.03 0.00 1.10 0.00 0.00 33.01 34.13 2wmk s GLN 848 CO 0.03 -0.03 -0.01 0.21 -0.55 0.00 0.00 175.29 174.93 2wmk s LYS 849 N 0.14 3.42 -0.10 1.67 2.20 -1.26 -0.61 119.74 125.21 2wmk s LYS 849 Ca -0.00 -0.46 0.01 0.00 -0.36 0.00 0.00 55.97 55.16 2wmk s LYS 849 Cb -0.02 -2.89 0.02 0.00 -1.51 0.00 0.00 37.83 33.43 2wmk s LYS 849 CO 0.00 0.43 -0.13 -0.51 -0.36 0.00 0.00 175.35 174.78 2wmk s LEU 850 N -0.14 1.63 0.00 5.43 1.43 -0.12 -5.00 118.68 121.90 2wmk s LEU 850 Ca 0.04 -0.39 0.00 0.00 -1.03 0.00 0.00 54.13 52.75 2wmk s LEU 850 Cb -0.13 -1.00 0.00 0.00 0.03 0.00 0.00 46.19 45.09 2wmk s LEU 850 CO 0.02 -0.00 0.00 -0.90 0.23 0.00 0.00 176.35 175.70 2wmk n ASP 851 N 4.25 0.00 -1.69 2.29 5.75 -1.26 -0.13 116.55 125.77 2wmk n ASP 851 Ca -0.19 0.00 -0.00 0.00 -0.01 0.00 0.00 54.79 54.59 2wmk n ASP 851 Cb 0.51 0.00 0.28 0.00 -1.03 0.00 0.00 41.12 40.88 2wmk n ASP 851 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2wmk n ASN 852 N 3.77 4.45 -4.14 -1.12 5.03 -1.26 -4.92 115.26 117.08 2wmk n ASN 852 Ca 0.00 -2.86 -0.30 0.00 0.87 0.00 0.00 54.58 52.29 2wmk n ASN 852 Cb 0.00 -0.68 -0.17 0.00 -1.02 0.00 0.00 39.78 37.92 2wmk n ASN 852 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 2wmk s ARG 853 N -2.43 2.67 -0.22 3.52 0.52 0.82 -1.16 118.95 122.67 2wmk s ARG 853 Ca 0.43 -0.74 -0.13 0.00 -0.52 0.00 0.00 55.73 54.78 2wmk s ARG 853 Cb 0.34 -2.13 -0.05 0.00 0.52 0.00 0.00 34.95 33.64 2wmk s ARG 853 CO 0.12 0.04 0.25 -1.58 0.02 0.00 0.00 175.30 174.15 2wmk s TRP 854 N 0.68 3.36 -0.15 -0.53 0.52 0.01 -0.95 118.94 121.87 2wmk s TRP 854 Ca -0.12 0.40 -0.04 0.00 0.02 0.00 0.00 56.10 56.36 2wmk s TRP 854 Cb -0.16 -2.36 -0.03 0.00 -1.15 0.00 0.00 33.47 29.77 2wmk s TRP 854 CO 0.03 0.07 -0.00 -0.06 0.02 0.00 0.00 176.95 177.00 2wmk s PHE 855 N 1.04 3.11 -0.01 -1.98 0.08 0.22 -0.55 117.98 119.89 2wmk s PHE 855 Ca 0.12 -0.11 -0.00 0.00 0.12 0.00 0.00 56.93 57.06 2wmk s PHE 855 Cb -0.14 -1.96 0.01 0.00 -0.57 0.00 0.00 43.02 40.36 2wmk s PHE 855 CO 0.05 0.10 0.02 0.08 -0.10 0.00 0.00 175.22 175.37 2wmk s VAL 856 N 0.15 -0.02 0.06 -0.44 1.01 -0.41 -1.34 120.40 119.41 2wmk s VAL 856 Ca 0.01 0.08 -0.12 0.00 0.00 0.00 0.00 61.98 61.95 2wmk s VAL 856 Cb -0.13 -0.04 0.01 0.00 0.00 0.00 0.00 36.38 36.22 2wmk s VAL 856 CO 0.02 0.03 0.26 -0.72 0.00 0.00 0.00 175.10 174.69 2wmk s TYR 857 N 0.39 -0.02 -0.07 5.22 -0.85 -0.52 -0.63 117.35 120.86 2wmk s TYR 857 Ca -0.03 -0.21 -0.28 0.00 -0.52 0.00 0.00 57.07 56.03 2wmk s TYR 857 Cb -0.05 0.04 -0.02 0.00 0.38 0.00 0.00 41.96 42.31 2wmk s TYR 857 CO -0.01 -0.50 0.92 1.21 -1.52 0.00 0.00 175.55 175.65 2wmk s ASN 858 N -2.27 7.21 0.00 -0.18 3.84 -0.95 -1.86 114.94 120.73 2wmk s ASN 858 Ca -0.03 1.47 0.26 0.00 0.21 0.00 0.00 52.86 54.77 2wmk s ASN 858 Cb 0.00 -2.52 0.78 0.00 -0.55 0.00 0.00 41.25 38.96 2wmk s ASN 858 CO -0.06 -0.32 1.59 0.00 -2.79 0.00 0.00 177.10 175.52 2wmk n TYR 859 N 4.46 0.06 -2.06 0.43 0.18 -1.26 -4.29 117.16 114.67 2wmk n TYR 859 Ca 0.06 -0.03 -0.41 0.00 1.88 0.00 0.00 57.90 59.40 2wmk n TYR 859 Cb 0.50 0.00 -0.02 0.00 -0.38 0.00 0.00 39.34 39.44 2wmk n TYR 859 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 2wmk s LYS 860 N -1.94 4.31 -0.23 -3.48 -0.14 -1.26 -4.90 119.74 112.10 2wmk s LYS 860 Ca 0.35 2.26 -0.18 0.00 -1.36 0.00 0.00 55.97 57.04 2wmk s LYS 860 Cb 0.20 -3.09 -0.15 0.00 -1.68 0.00 0.00 37.83 33.11 2wmk s LYS 860 CO 0.32 -0.31 -0.03 0.28 -0.76 0.00 0.00 175.35 174.84 2wmk n VAL 861 N 1.55 1.52 -2.59 3.17 0.31 -1.26 -4.51 118.33 116.53 2wmk n VAL 861 Ca 0.03 -0.12 0.01 0.00 -0.01 0.00 0.00 64.34 64.25 2wmk n VAL 861 Cb 0.41 -2.03 0.03 0.00 -0.91 0.00 0.00 33.84 31.34 2wmk n VAL 861 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 2wmk n ASN 862 N -4.39 0.87 -3.88 4.52 4.05 -1.26 -4.97 115.26 110.21 2wmk n ASN 862 Ca -0.37 -2.02 -0.20 0.00 0.45 0.00 0.00 54.58 52.43 2wmk n ASN 862 Cb 0.71 -0.25 -0.16 0.00 1.23 0.00 0.00 39.78 41.31 2wmk n ASN 862 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 2wmk s GLU 863 N -1.37 0.80 -1.28 1.20 8.01 -1.26 -4.16 118.70 120.65 2wmk s GLU 863 Ca 0.27 -0.08 -0.14 0.00 0.01 0.00 0.00 54.97 55.04 2wmk s GLU 863 Cb 0.33 -0.86 0.13 0.00 -4.31 0.00 0.00 34.13 29.42 2wmk s GLU 863 CO -0.11 -0.11 1.70 -1.71 0.01 0.00 0.00 175.26 175.04 2wmk n ASN 864 N 4.21 4.97 -3.94 -0.19 5.15 -1.26 -4.82 115.26 119.37 2wmk n ASN 864 Ca -0.22 -2.98 -0.25 0.00 -0.60 0.00 0.00 54.58 50.53 2wmk n ASN 864 Cb 0.51 -1.60 -0.17 0.00 -0.53 0.00 0.00 39.78 37.99 2wmk n ASN 864 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2wmk s VAL 865 N 2.07 0.96 0.51 3.44 1.01 -1.26 -5.02 120.40 122.10 2wmk s VAL 865 Ca 0.45 -0.32 -0.20 0.00 0.00 0.00 0.00 61.98 61.91 2wmk s VAL 865 Cb 0.04 -0.94 -0.07 0.00 0.00 0.00 0.00 36.38 35.41 2wmk s VAL 865 CO 0.01 0.33 1.10 -0.54 0.00 0.00 0.00 175.10 176.00 2wmk s LYS 866 N 1.17 3.57 0.12 2.72 3.01 -1.26 -4.08 119.74 124.99 2wmk s LYS 866 Ca -0.06 1.54 0.06 0.00 -1.01 0.00 0.00 55.97 56.50 2wmk s LYS 866 Cb -0.14 -2.10 -0.04 0.00 -1.01 0.00 0.00 37.83 34.55 2wmk s LYS 866 CO -0.02 -0.65 -0.13 -0.65 0.51 0.00 0.00 175.35 174.40 2wmk s GLN 867 N -3.17 0.99 0.04 1.68 -0.21 -0.27 -4.99 119.66 113.73 2wmk s GLN 867 Ca 0.69 -1.21 0.02 0.00 0.02 0.00 0.00 55.36 54.89 2wmk s GLN 867 Cb -0.22 -0.85 -0.02 0.00 1.00 0.00 0.00 33.01 32.92 2wmk s GLN 867 CO 0.25 0.16 -0.08 0.95 -2.12 0.00 0.00 175.29 174.45 2wmk s THR 868 N -2.13 0.58 0.19 -0.19 -4.23 -1.26 -1.05 115.64 107.56 2wmk s THR 868 Ca 0.08 -1.05 -0.21 0.00 -1.18 0.00 0.00 61.69 59.33 2wmk s THR 868 Cb -0.05 -0.63 0.05 0.00 1.34 0.00 0.00 72.50 73.21 2wmk s THR 868 CO 0.03 -0.34 0.59 -0.83 -0.54 0.00 0.00 174.62 173.53 2wmk s GLY 869 N -1.50 -0.40 -0.13 3.99 0.00 -1.02 -2.89 107.32 105.37 2wmk s GLY 869 Ca -0.09 0.17 0.01 0.00 0.00 0.00 0.00 44.72 44.82 2wmk s GLY 869 CO 0.01 0.00 -0.16 1.25 0.00 0.00 0.00 173.10 174.19 2wmk s LYS 870 N -3.81 2.42 0.08 2.90 2.20 0.18 -1.29 119.74 122.42 2wmk s LYS 870 Ca 0.04 -0.62 0.10 0.00 -0.36 0.00 0.00 55.97 55.13 2wmk s LYS 870 Cb -0.02 -2.09 -0.03 0.00 -1.51 0.00 0.00 37.83 34.18 2wmk s LYS 870 CO -0.07 -0.12 -0.26 -0.51 -0.36 0.00 0.00 175.35 174.02 2wmk s LEU 871 N 1.15 2.27 0.04 5.43 2.01 0.17 -1.83 118.68 127.92 2wmk s LEU 871 Ca -0.02 -0.64 0.08 0.00 0.01 0.00 0.00 54.13 53.56 2wmk s LEU 871 Cb -0.14 -1.28 -0.03 0.00 0.01 0.00 0.00 46.19 44.75 2wmk s LEU 871 CO -0.05 0.23 -0.22 -0.54 1.01 0.00 0.00 176.35 176.77 2wmk s LYS 872 N -1.59 1.53 -0.53 1.70 1.02 -1.26 -0.26 119.74 120.35 2wmk s LYS 872 Ca 0.13 -0.97 0.04 0.00 0.02 0.00 0.00 55.97 55.18 2wmk s LYS 872 Cb -0.10 -1.65 0.14 0.00 -0.52 0.00 0.00 37.83 35.70 2wmk s LYS 872 CO 0.04 0.43 0.31 -0.06 -0.92 0.00 0.00 175.35 175.14 2wmk s PHE 873 N -0.77 2.74 0.00 3.18 0.08 0.50 -5.02 117.98 118.69 2wmk s PHE 873 Ca 0.09 -2.91 0.00 0.00 0.12 0.00 0.00 56.93 54.22 2wmk s PHE 873 Cb -0.09 -2.38 0.00 0.00 -0.57 0.00 0.00 43.02 39.98 2wmk s PHE 873 CO 0.02 -0.72 0.00 0.09 -0.10 0.00 0.00 175.22 174.51 2wmk n ASN 874 N 3.00 0.00 -0.31 1.36 4.13 -1.26 -2.20 115.26 119.98 2wmk n ASN 874 Ca 0.11 0.00 -0.02 0.00 1.68 0.00 0.00 54.58 56.35 2wmk n ASN 874 Cb 0.34 0.00 0.15 0.00 -1.54 0.00 0.00 39.78 38.73 2wmk n ASN 874 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 2wmk h SER 875 N 0.00 1.05 -2.84 6.41 0.02 -1.98 -3.43 113.55 112.78 2wmk h SER 875 Ca 0.00 -0.05 -0.54 0.00 -0.84 0.00 0.00 61.79 60.36 2wmk h SER 875 Cb 0.00 -0.26 0.01 0.00 0.14 0.00 0.00 62.40 62.28 2wmk h SER 875 CO 0.00 0.79 0.88 -0.22 -1.14 0.00 0.00 176.83 177.14 2wmk s LEU 876 N -9.95 4.33 -0.10 5.07 2.96 -0.93 -4.79 118.68 115.26 2wmk s LEU 876 Ca -0.12 2.24 -0.03 0.00 -0.22 0.00 0.00 54.13 56.00 2wmk s LEU 876 Cb 0.18 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 43.27 2wmk s LEU 876 CO 0.81 -0.77 0.01 -1.61 -1.32 0.00 0.00 176.35 173.46 2wmk s GLU 877 N 2.44 3.14 -0.13 1.98 2.02 -0.81 -0.37 118.70 126.97 2wmk s GLU 877 Ca 0.67 -0.41 -0.01 0.00 0.02 0.00 0.00 54.97 55.24 2wmk s GLU 877 Cb -0.34 -2.85 0.04 0.00 0.10 0.00 0.00 34.13 31.08 2wmk s GLU 877 CO 0.28 0.63 -0.02 1.41 0.02 0.00 0.00 175.26 177.58 2wmk s MET 878 N -0.67 1.07 -0.12 1.61 -2.45 0.64 -1.18 119.30 118.20 2wmk s MET 878 Ca 0.11 -0.27 -0.06 0.00 -1.25 0.00 0.00 55.69 54.22 2wmk s MET 878 Cb -0.12 -1.65 -0.04 0.00 1.25 0.00 0.00 34.83 34.28 2wmk s MET 878 CO 0.02 -0.40 0.10 -0.80 1.05 0.00 0.00 175.02 174.99 2wmk s ASN 879 N 1.79 6.08 0.13 1.11 0.01 -0.04 -0.65 114.94 123.37 2wmk s ASN 879 Ca 0.02 0.36 0.07 0.00 -0.71 0.00 0.00 52.86 52.60 2wmk s ASN 879 Cb -0.14 -1.93 -0.04 0.00 0.41 0.00 0.00 41.25 39.55 2wmk s ASN 879 CO -0.07 0.38 -0.16 0.68 -1.51 0.00 0.00 177.10 176.42 2wmk s VAL 880 N -0.85 1.49 -0.11 1.60 -7.23 -0.41 -0.08 120.40 114.81 2wmk s VAL 880 Ca 0.14 -1.77 -0.01 0.00 -1.81 0.00 0.00 61.98 58.53 2wmk s VAL 880 Cb -0.12 -1.62 0.03 0.00 0.56 0.00 0.00 36.38 35.23 2wmk s VAL 880 CO 0.03 -0.37 -0.04 -0.70 -0.31 0.00 0.00 175.10 173.71 2wmk s GLU 881 N -2.67 1.18 -0.10 4.82 2.12 -0.27 -2.44 118.70 121.34 2wmk s GLU 881 Ca 0.11 -0.19 0.04 0.00 0.36 0.00 0.00 54.97 55.29 2wmk s GLU 881 Cb -0.05 -1.49 0.00 0.00 0.26 0.00 0.00 34.13 32.85 2wmk s GLU 881 CO 0.04 -0.32 -0.22 -0.06 -0.54 0.00 0.00 175.26 174.15 2wmk s PHE 882 N 1.79 2.43 0.91 5.30 0.40 -0.21 -2.21 117.98 126.38 2wmk s PHE 882 Ca 0.04 -1.00 -0.12 0.00 -0.60 0.00 0.00 56.93 55.25 2wmk s PHE 882 Cb -0.13 -1.64 0.13 0.00 0.51 0.00 0.00 43.02 41.90 2wmk s PHE 882 CO -0.07 -0.41 1.10 -1.21 0.70 0.00 0.00 175.22 175.33 2wmk s GLU 883 N 0.41 1.18 0.76 0.44 2.02 -1.26 -1.11 118.70 121.13 2wmk s GLU 883 Ca -0.18 0.58 -0.16 0.00 0.02 0.00 0.00 54.97 55.23 2wmk s GLU 883 Cb -0.18 -1.82 -0.04 0.00 0.10 0.00 0.00 34.13 32.20 2wmk s GLU 883 CO 0.08 -2.23 0.42 -2.30 0.02 0.00 0.00 175.26 171.24 2wmk n PRO 884 N -3.84 0.19 -3.48 0.39 -0.02 -1.26 -3.62 135.00 123.36 2wmk n PRO 884 Ca 0.06 0.10 -0.19 0.00 -2.02 0.00 0.00 63.50 61.46 2wmk n PRO 884 Cb 0.57 -1.76 0.07 0.00 -0.02 0.00 0.00 33.50 32.36 2wmk n PRO 884 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 2wmk n HIS 885 N -2.52 -2.16 -3.73 6.00 8.25 -1.26 -5.00 115.22 114.80 2wmk n HIS 885 Ca 0.09 0.87 -0.16 0.00 -0.26 0.00 0.00 57.72 58.26 2wmk n HIS 885 Cb 0.51 -4.60 -0.16 0.00 1.12 0.00 0.00 29.99 26.85 2wmk n HIS 885 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2wmk s THR 886 N -3.46 -0.09 0.14 1.59 2.01 -1.24 -4.38 115.64 110.21 2wmk s THR 886 Ca 0.12 0.26 0.08 0.00 0.31 0.00 0.00 61.69 62.46 2wmk s THR 886 Cb -0.02 -0.17 -0.04 0.00 0.01 0.00 0.00 72.50 72.28 2wmk s THR 886 CO 0.76 0.11 -0.18 -0.72 -0.69 0.00 0.00 174.62 173.90 2wmk s TYR 887 N 1.44 1.70 0.05 4.92 -0.85 -0.50 -2.23 117.35 121.87 2wmk s TYR 887 Ca -0.05 -0.47 -0.00 0.00 -0.52 0.00 0.00 57.07 56.02 2wmk s TYR 887 Cb -0.12 -0.88 -0.03 0.00 0.38 0.00 0.00 41.96 41.30 2wmk s TYR 887 CO -0.04 0.25 -0.04 0.20 -1.52 0.00 0.00 175.55 174.40 2wmk s GLY 888 N -2.38 0.43 -0.09 5.49 0.00 0.20 -1.00 107.32 109.97 2wmk s GLY 888 Ca 0.11 -1.03 0.00 0.00 0.00 0.00 0.00 44.72 43.81 2wmk s GLY 888 CO 0.05 -1.12 -0.07 -0.42 0.00 0.00 0.00 173.10 171.54 2wmk s ILE 889 N -3.08 0.90 -0.23 0.90 1.01 0.50 -1.29 121.20 119.91 2wmk s ILE 889 Ca 0.00 -0.25 0.02 0.00 0.00 0.00 0.00 60.65 60.42 2wmk s ILE 889 Cb 0.02 -0.91 0.05 0.00 0.01 0.00 0.00 42.46 41.63 2wmk s ILE 889 CO -0.06 0.33 -0.10 -0.36 0.00 0.00 0.00 174.94 174.75 2wmk s PHE 890 N 1.46 2.77 -0.19 3.97 0.08 0.29 -1.31 117.98 125.05 2wmk s PHE 890 Ca -0.01 -1.93 -0.01 0.00 0.12 0.00 0.00 56.93 55.10 2wmk s PHE 890 Cb -0.13 -1.76 -0.00 0.00 -0.57 0.00 0.00 43.02 40.56 2wmk s PHE 890 CO -0.05 -0.81 -0.11 -2.00 -0.10 0.00 0.00 175.22 172.15 2wmk s GLU 891 N 1.27 3.25 -0.14 0.44 2.12 0.16 -0.81 118.70 125.00 2wmk s GLU 891 Ca -0.05 -0.71 -0.29 0.00 0.36 0.00 0.00 54.97 54.28 2wmk s GLU 891 Cb -0.18 -2.78 -0.02 0.00 0.26 0.00 0.00 34.13 31.42 2wmk s GLU 891 CO -0.07 -0.10 1.23 0.50 -0.54 0.00 0.00 175.26 176.28 2wmk s ARG 892 N 1.15 4.27 0.40 4.30 6.06 -0.31 -0.12 118.95 134.70 2wmk s ARG 892 Ca 0.01 1.64 0.07 0.00 -2.50 0.00 0.00 55.73 54.96 2wmk s ARG 892 Cb -0.14 -3.70 -0.08 0.00 0.06 0.00 0.00 34.95 31.09 2wmk s ARG 892 CO -0.04 -0.63 -0.01 0.96 -2.50 0.00 0.00 175.30 173.08 2wmk s ILE 893 N 3.13 2.04 0.39 4.11 -4.36 -0.46 -4.90 121.20 121.14 2wmk s ILE 893 Ca 0.54 -2.04 0.08 0.00 -0.26 0.00 0.00 60.65 58.97 2wmk s ILE 893 Cb -0.22 -2.93 0.19 0.00 1.25 0.00 0.00 42.46 40.76 2wmk s ILE 893 CO 0.16 -0.04 1.96 0.77 0.24 0.00 0.00 174.94 178.03 2wmk h SER 894 N 1.82 0.35 -0.44 4.36 4.64 -2.00 -2.60 113.55 119.68 2wmk h SER 894 Ca -0.44 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 2wmk h SER 894 Cb 1.24 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 2wmk h SER 894 CO 0.79 0.39 0.00 -0.46 -0.87 0.00 0.00 176.83 176.68 2wmk n ASN 895 N -4.35 4.58 0.00 4.97 6.94 -1.26 -5.02 115.26 121.12 2wmk n ASN 895 Ca 0.01 -2.80 0.00 0.00 -0.02 0.00 0.00 54.58 51.76 2wmk n ASN 895 Cb 0.19 -0.57 0.00 0.00 -2.36 0.00 0.00 39.78 37.04 2wmk n ASN 895 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2wmk n GLY 896 N 0.24 0.03 2.81 4.83 0.00 -0.98 -1.74 105.19 110.38 2wmk n GLY 896 Ca 0.23 -0.48 -0.15 0.00 0.00 0.00 0.00 46.02 45.63 2wmk n GLY 896 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wmk s LEU 897 N 0.00 0.91 -0.05 0.99 2.96 -0.07 -1.36 118.68 122.06 2wmk s LEU 897 Ca 0.00 0.12 -0.17 0.00 -0.22 0.00 0.00 54.13 53.86 2wmk s LEU 897 Cb 0.00 0.05 -0.05 0.00 0.50 0.00 0.00 46.19 46.69 2wmk s LEU 897 CO 0.00 -0.14 0.46 -0.75 -1.32 0.00 0.00 176.35 174.59 2wmk s LYS 898 N 1.18 4.16 -0.08 1.98 2.47 0.83 -0.51 119.74 129.77 2wmk s LYS 898 Ca -0.08 0.46 0.03 0.00 -1.56 0.00 0.00 55.97 54.82 2wmk s LYS 898 Cb -0.13 -3.33 0.01 0.00 -1.46 0.00 0.00 37.83 32.92 2wmk s LYS 898 CO -0.04 0.43 -0.16 0.08 0.16 0.00 0.00 175.35 175.82 2wmk s VAL 899 N -0.25 1.44 -0.08 4.02 1.01 0.42 -0.66 120.40 126.30 2wmk s VAL 899 Ca 0.25 -0.65 0.04 0.00 0.00 0.00 0.00 61.98 61.61 2wmk s VAL 899 Cb -0.16 -1.28 0.00 0.00 0.00 0.00 0.00 36.38 34.94 2wmk s VAL 899 CO 0.12 0.42 -0.19 0.20 0.00 0.00 0.00 175.10 175.65 2wmk s ASN 900 N 0.58 2.52 -0.02 3.32 0.01 -0.43 -1.63 114.94 119.30 2wmk s ASN 900 Ca -0.16 -0.44 0.00 0.00 -0.71 0.00 0.00 52.86 51.56 2wmk s ASN 900 Cb -0.16 -1.05 0.02 0.00 0.41 0.00 0.00 41.25 40.46 2wmk s ASN 900 CO 0.05 0.13 -0.00 -0.22 -1.51 0.00 0.00 177.10 175.54 2wmk s LEU 901 N 0.35 1.48 -0.08 0.60 2.96 0.40 -0.37 118.68 124.02 2wmk s LEU 901 Ca -0.14 -0.02 -0.01 0.00 -0.22 0.00 0.00 54.13 53.74 2wmk s LEU 901 Cb -0.16 -0.14 0.03 0.00 0.50 0.00 0.00 46.19 46.42 2wmk s LEU 901 CO 0.06 -0.06 -0.02 0.21 -1.32 0.00 0.00 176.35 175.23 2wmk s ASN 902 N 0.61 1.74 -0.08 3.68 3.84 -0.17 0.04 114.94 124.60 2wmk s ASN 902 Ca -0.06 -0.14 0.19 0.00 0.21 0.00 0.00 52.86 53.05 2wmk s ASN 902 Cb -0.08 -0.53 0.39 0.00 -0.55 0.00 0.00 41.25 40.47 2wmk s ASN 902 CO -0.01 -0.18 1.17 -0.46 -2.79 0.00 0.00 177.10 174.83 2wmk n ASN 903 N 5.10 1.24 -4.67 -4.21 6.94 -0.64 -1.41 115.26 117.61 2wmk n ASN 903 Ca -0.08 -2.72 -0.42 0.00 -0.02 0.00 0.00 54.58 51.34 2wmk n ASN 903 Cb 0.50 -0.38 -0.03 0.00 -2.36 0.00 0.00 39.78 37.51 2wmk n ASN 903 CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 2wmk s PHE 904 N -1.27 1.85 -0.26 -2.53 5.36 -1.22 -4.19 117.98 115.72 2wmk s PHE 904 Ca 0.33 -0.04 -0.03 0.00 -0.96 0.00 0.00 56.93 56.23 2wmk s PHE 904 Cb 0.35 -4.08 0.15 0.00 -0.34 0.00 0.00 43.02 39.10 2wmk s PHE 904 CO -0.11 -4.59 0.47 0.50 -1.46 0.00 0.00 175.22 170.02 2wmk s ARG 905 N 3.72 0.43 0.67 10.12 3.52 -1.26 -1.66 118.95 134.48 2wmk s ARG 905 Ca 0.80 0.79 -0.06 0.00 -0.13 0.00 0.00 55.73 57.13 2wmk s ARG 905 Cb -0.40 0.02 0.04 0.00 -1.56 0.00 0.00 34.95 33.05 2wmk s ARG 905 CO 0.35 -0.57 0.97 0.95 -0.81 0.00 0.00 175.30 176.20 2wmk s THR 906 N 2.67 2.69 -0.35 4.11 -4.23 -1.26 -3.09 115.64 116.19 2wmk s THR 906 Ca 0.13 -0.20 -0.19 0.00 -1.18 0.00 0.00 61.69 60.25 2wmk s THR 906 Cb -0.15 -3.13 -0.00 0.00 1.34 0.00 0.00 72.50 70.56 2wmk s THR 906 CO -0.17 -0.14 0.55 0.21 -0.54 0.00 0.00 174.62 174.53 2wmk s ASN 907 N -4.45 6.36 0.00 3.99 2.47 0.26 -4.66 114.94 118.91 2wmk s ASN 907 Ca 0.58 0.05 0.23 0.00 0.42 0.00 0.00 52.86 54.14 2wmk s ASN 907 Cb -0.11 -2.29 0.51 0.00 -1.45 0.00 0.00 41.25 37.92 2wmk s ASN 907 CO 0.45 -0.51 1.46 0.29 -3.72 0.00 0.00 177.10 175.06 2wmk n LYS 908 N 5.83 2.60 0.16 0.43 4.76 -1.26 -4.56 118.16 126.11 2wmk n LYS 908 Ca -0.04 -2.45 0.11 0.00 -2.87 0.00 0.00 58.31 53.07 2wmk n LYS 908 Cb 0.49 -1.54 0.63 0.00 -1.84 0.00 0.00 35.03 32.76 2wmk n LYS 908 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 2wmk h ASP 909 N 4.46 0.06 -0.04 4.39 3.32 -1.97 -1.79 116.42 124.85 2wmk h ASP 909 Ca 0.00 -0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.06 2wmk h ASP 909 Cb 1.00 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.53 2wmk h ASP 909 CO 0.00 0.04 0.03 0.77 -1.72 0.00 0.00 179.24 178.37 2wmk h SER 910 N 0.07 0.00 0.71 6.45 4.64 -1.99 -0.11 113.55 123.31 2wmk h SER 910 Ca 0.09 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.36 2wmk h SER 910 Cb 0.27 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.36 2wmk h SER 910 CO -0.01 0.00 -0.24 -0.07 -0.87 0.00 0.00 176.83 175.64 2wmk h LEU 911 N 0.00 0.00 -2.97 5.97 3.38 -1.69 -3.00 115.31 116.99 2wmk h LEU 911 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2wmk h LEU 911 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2wmk h LEU 911 CO -0.00 0.24 0.00 0.79 0.09 0.00 0.00 178.44 179.56 2wmk n TRP 912 N -3.54 0.70 -0.87 1.13 7.02 -0.09 -5.01 117.44 116.78 2wmk n TRP 912 Ca -0.01 -0.58 -0.31 0.00 -1.02 0.00 0.00 57.50 55.58 2wmk n TRP 912 Cb 0.39 -0.10 0.15 0.00 -2.42 0.00 0.00 31.31 29.33 2wmk n TRP 912 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2wmk s SER 913 N -1.17 3.29 0.00 -0.99 1.04 -0.97 -2.90 113.70 112.00 2wmk s SER 913 Ca 0.32 2.17 0.00 0.00 0.48 0.00 0.00 55.95 58.92 2wmk s SER 913 Cb 0.19 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.75 2wmk s SER 913 CO 0.17 -2.86 0.00 0.59 0.98 0.00 0.00 173.24 172.12 2wmk n ASN 914 N -3.94 -2.08 -3.80 7.02 3.02 -1.26 -4.98 115.26 109.25 2wmk n ASN 914 Ca 0.12 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.38 2wmk n ASN 914 Cb 0.52 -1.01 -0.16 0.00 -0.61 0.00 0.00 39.78 38.52 2wmk n ASN 914 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wmk s ALA 915 N -2.40 1.29 -0.36 5.41 0.00 -1.14 -4.90 121.76 119.65 2wmk s ALA 915 Ca 0.00 -0.89 0.23 0.00 0.00 0.00 0.00 51.96 51.30 2wmk s ALA 915 Cb 0.00 -1.26 0.14 0.00 0.00 0.00 0.00 23.12 22.00 2wmk s ALA 915 CO 0.00 -1.18 1.20 1.96 0.00 0.00 0.00 175.76 177.74 2wmk h GLN 916 N 8.16 0.00 -4.26 0.00 1.08 -1.93 -3.46 115.11 114.70 2wmk h GLN 916 Ca -0.17 0.00 -0.24 0.00 -1.45 0.00 0.00 58.65 56.79 2wmk h GLN 916 Cb 1.11 0.00 -0.11 0.00 -0.05 0.00 0.00 27.48 28.42 2wmk h GLN 916 CO 0.36 0.00 -0.35 0.16 -0.95 0.00 0.00 178.83 178.05 2wmk s ASP 917 N -5.24 0.54 0.25 1.46 1.47 -1.26 -5.05 116.67 108.85 2wmk s ASP 917 Ca 0.02 -1.36 -0.04 0.00 1.18 0.00 0.00 52.55 52.35 2wmk s ASP 917 Cb 0.10 0.54 0.30 0.00 -0.34 0.00 0.00 42.92 43.52 2wmk s ASP 917 CO 0.75 -1.09 1.82 0.00 0.68 0.00 0.00 175.17 177.34 2wmk h ALA 918 N 2.30 1.16 -0.39 2.11 0.00 -1.91 -0.93 119.26 121.60 2wmk h ALA 918 Ca -0.30 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 54.49 2wmk h ALA 918 Cb 1.24 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.71 2wmk h ALA 918 CO 0.42 0.60 0.09 -0.97 0.00 0.00 0.00 179.25 179.39 2wmk h ASN 919 N 0.99 0.04 -0.52 0.00 -0.73 -1.95 -1.66 115.58 111.75 2wmk h ASN 919 Ca 0.23 0.06 -0.11 0.00 1.87 0.00 0.00 56.30 58.35 2wmk h ASN 919 Cb 0.22 0.08 -0.02 0.00 0.27 0.00 0.00 38.32 38.87 2wmk h ASN 919 CO -0.02 0.06 -0.09 1.56 -0.37 0.00 0.00 177.43 178.57 2wmk h GLN 920 N 0.22 0.97 -0.65 6.67 4.20 -1.87 -3.19 115.11 121.47 2wmk h GLN 920 Ca 0.19 -0.36 0.03 0.00 0.06 0.00 0.00 58.65 58.58 2wmk h GLN 920 Cb 0.21 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 27.88 2wmk h GLN 920 CO -0.23 1.03 0.39 0.00 -0.67 0.00 0.00 178.83 179.35 2wmk h ALA 921 N 0.92 0.85 -0.27 3.87 0.00 -0.90 -2.19 119.26 121.53 2wmk h ALA 921 Ca 0.14 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.11 2wmk h ALA 921 Cb 0.64 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2wmk h ALA 921 CO 0.04 0.13 0.20 -0.22 0.00 0.00 0.00 179.25 179.40 2wmk h LYS 922 N 0.77 0.03 -0.02 0.00 3.64 -1.30 -2.62 116.57 117.06 2wmk h LYS 922 Ca 0.27 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 2wmk h LYS 922 Cb 0.05 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 2wmk h LYS 922 CO -0.12 0.02 -0.04 1.63 -2.27 0.00 0.00 179.45 178.68 2wmk n LYS 923 N -4.46 1.81 -1.18 1.90 5.02 -0.85 -4.85 118.16 115.56 2wmk n LYS 923 Ca 0.03 -1.25 -0.34 0.00 -2.02 0.00 0.00 58.31 54.73 2wmk n LYS 923 Cb 0.33 -1.47 0.12 0.00 -0.02 0.00 0.00 35.03 33.99 2wmk n LYS 923 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2wmk n LEU 924 N 0.50 4.39 -4.78 -0.35 4.77 -0.99 -4.92 117.00 115.63 2wmk n LEU 924 Ca 0.16 0.61 -0.41 0.00 -0.03 0.00 0.00 56.01 56.35 2wmk n LEU 924 Cb 0.44 -1.50 -0.00 0.00 -2.33 0.00 0.00 43.42 40.03 2wmk n LEU 924 CO 0.17 -1.70 1.13 -2.16 -1.33 0.00 0.00 177.39 173.50 2wmk s PRO 925 N -3.97 4.14 0.26 3.23 0.04 -1.26 -4.91 135.00 132.53 2wmk s PRO 925 Ca 0.74 2.53 -0.31 0.00 0.04 0.00 0.00 61.00 64.00 2wmk s PRO 925 Cb -0.30 -2.98 -0.13 0.00 0.04 0.00 0.00 34.50 31.13 2wmk s PRO 925 CO 0.50 -0.50 1.52 1.04 0.04 0.00 0.00 177.00 179.60 2wmk n GLN 926 N 0.64 2.38 -0.08 4.56 1.13 -1.26 -4.90 117.38 119.85 2wmk n GLN 926 Ca 0.01 0.85 -0.08 0.00 -1.94 0.00 0.00 57.00 55.84 2wmk n GLN 926 Cb 0.39 -2.58 0.09 0.00 0.11 0.00 0.00 30.24 28.25 2wmk n GLN 926 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 2wmk h LEU 927 N 4.74 0.79 -0.21 1.08 5.85 -1.93 -3.50 115.31 122.12 2wmk h LEU 927 Ca -0.46 -0.29 0.13 0.00 0.84 0.00 0.00 57.88 58.10 2wmk h LEU 927 Cb 1.25 -0.22 -0.07 0.00 0.37 0.00 0.00 40.66 41.99 2wmk h LEU 927 CO 0.79 0.99 -0.45 0.35 -0.34 0.00 0.00 178.44 179.79 2wmk n THR 928 N -4.11 -0.29 0.08 1.05 -2.24 -1.26 -3.47 114.28 104.05 2wmk n THR 928 Ca -0.00 0.32 -0.13 0.00 -2.27 0.00 0.00 64.05 61.97 2wmk n THR 928 Cb 0.44 -0.50 -0.08 0.00 -2.10 0.00 0.00 70.33 68.09 2wmk n THR 928 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2wmk h LYS 929 N -0.52 -0.17 -0.89 -0.78 3.64 -1.97 0.19 116.57 116.07 2wmk h LYS 929 Ca -0.07 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.35 2wmk h LYS 929 Cb 0.51 0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.32 2wmk h LYS 929 CO 0.03 0.09 0.58 0.87 -2.27 0.00 0.00 179.45 178.74 2wmk h LYS 930 N -0.42 1.10 -0.74 1.90 1.57 -2.00 -1.92 116.57 116.05 2wmk h LYS 930 Ca -0.02 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.63 2wmk h LYS 930 Cb 0.34 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 2wmk h LYS 930 CO 0.03 0.73 0.21 0.78 -0.57 0.00 0.00 179.45 180.63 2wmk h GLY 931 N 1.14 1.25 1.10 3.86 0.00 -1.51 -1.00 103.07 107.90 2wmk h GLY 931 Ca 0.35 -0.75 -0.14 0.00 0.00 0.00 0.00 47.33 46.78 2wmk h GLY 931 CO -0.11 0.70 -0.30 0.00 0.00 0.00 0.00 176.54 176.84 2wmk h ALA 932 N 1.12 0.59 -0.69 3.60 0.00 -0.25 -0.65 119.26 122.98 2wmk h ALA 932 Ca 0.24 -0.42 0.03 0.00 0.00 0.00 0.00 54.91 54.75 2wmk h ALA 932 Cb 0.33 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 2wmk h ALA 932 CO -0.00 0.64 0.43 0.82 0.00 0.00 0.00 179.25 181.14 2wmk h ILE 933 N 0.76 1.10 -0.55 0.00 2.04 -1.20 -0.92 117.51 118.74 2wmk h ILE 933 Ca 0.08 -0.29 -0.05 0.00 1.00 0.00 0.00 64.86 65.60 2wmk h ILE 933 Cb 0.89 0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 37.11 2wmk h ILE 933 CO 0.08 0.16 0.14 0.50 0.00 0.00 0.00 178.15 179.03 2wmk h LYS 934 N 0.85 0.84 -0.53 2.37 1.63 -1.04 -1.41 116.57 119.27 2wmk h LYS 934 Ca 0.27 -0.16 -0.03 0.00 -0.85 0.00 0.00 60.65 59.88 2wmk h LYS 934 Cb 0.01 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 31.48 2wmk h LYS 934 CO -0.10 0.74 0.24 2.35 -3.45 0.00 0.00 179.45 179.23 2wmk h TRP 935 N 0.81 0.79 0.03 1.91 7.01 -0.35 -0.54 115.95 125.61 2wmk h TRP 935 Ca 0.18 -0.05 0.00 0.00 2.11 0.00 0.00 58.89 61.13 2wmk h TRP 935 Cb 0.28 -0.24 -0.01 0.00 -2.10 0.00 0.00 29.16 27.09 2wmk h TRP 935 CO 0.02 0.63 -0.04 0.82 -2.79 0.00 0.00 178.44 177.08 2wmk h ILE 936 N 0.72 0.90 -0.42 2.65 2.04 -0.82 0.28 117.51 122.86 2wmk h ILE 936 Ca 0.18 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.13 2wmk h ILE 936 Cb 0.16 0.90 -0.08 0.00 -0.74 0.00 0.00 36.82 37.06 2wmk h ILE 936 CO -0.02 0.00 -0.12 -0.33 0.00 0.00 0.00 178.15 177.69 2wmk h GLU 937 N -0.09 -0.01 0.00 2.37 5.08 -0.98 0.25 114.58 121.20 2wmk h GLU 937 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2wmk h GLU 937 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 2wmk h GLU 937 CO -0.02 -0.01 -1.21 0.39 -1.00 0.00 0.00 179.01 177.16 2wmk n GLU 938 N -5.33 0.40 0.00 2.33 -0.58 -0.23 -3.81 120.64 113.43 2wmk n GLU 938 Ca 0.03 -0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 2wmk n GLU 938 Cb 0.24 -1.62 0.00 0.00 -0.57 0.00 0.00 31.44 29.49 2wmk n GLU 938 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 2wmk n HIS 939 N -2.13 0.00 0.01 -0.32 8.25 0.95 -4.49 115.22 117.49 2wmk n HIS 939 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 2wmk n HIS 939 Cb 0.48 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.59 2wmk n HIS 939 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 2wmk n TYR 940 N -0.07 -0.02 -0.17 4.41 9.36 -0.56 -3.82 117.16 126.29 2wmk n TYR 940 Ca 0.00 0.00 -0.00 0.00 3.32 0.00 0.00 57.90 61.22 2wmk n TYR 940 Cb 0.13 0.03 0.25 0.00 -0.63 0.00 0.00 39.34 39.12 2wmk n TYR 940 CO 0.00 0.00 0.00 0.82 0.22 0.00 0.00 176.86 177.90 2wmk h ILE 941 N 0.00 1.19 -3.83 2.97 1.08 -0.72 -3.40 117.51 114.80 2wmk h ILE 941 Ca 0.00 -0.48 -0.27 0.00 -0.39 0.00 0.00 64.86 63.72 2wmk h ILE 941 Cb 0.81 0.31 -0.15 0.00 -3.07 0.00 0.00 36.82 34.73 2wmk h ILE 941 CO 0.00 0.21 -0.67 -1.59 -0.69 0.00 0.00 178.15 175.42 2wmk s LYS 942 N -5.61 1.04 -1.45 2.37 -2.85 -1.25 -4.85 119.74 107.14 2wmk s LYS 942 Ca -0.10 -1.49 -0.12 0.00 -1.00 0.00 0.00 55.97 53.26 2wmk s LYS 942 Cb 0.17 -0.22 0.09 0.00 -2.06 0.00 0.00 37.83 35.81 2wmk s LYS 942 CO 0.78 -0.12 0.69 -0.25 0.10 0.00 0.00 175.35 176.56 2wmk n ASP 943 N -0.19 -4.13 -4.77 0.03 8.00 -1.26 -3.24 116.55 110.99 2wmk n ASP 943 Ca -0.07 -0.60 -0.41 0.00 0.71 0.00 0.00 54.79 54.41 2wmk n ASP 943 Cb 0.63 -3.36 -0.01 0.00 -0.02 0.00 0.00 41.12 38.36 2wmk n ASP 943 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2wmk s THR 944 N -3.11 2.22 -0.95 -3.53 2.01 -1.25 -4.72 115.64 106.31 2wmk s THR 944 Ca 0.53 0.21 -0.15 0.00 0.31 0.00 0.00 61.69 62.59 2wmk s THR 944 Cb -0.28 -3.13 0.18 0.00 0.01 0.00 0.00 72.50 69.28 2wmk s THR 944 CO 0.66 0.05 1.03 -1.10 -0.69 0.00 0.00 174.62 174.56 2wmk s GLN 945 N -1.58 3.73 0.65 4.92 -1.52 -1.26 -5.02 119.66 119.57 2wmk s GLN 945 Ca 0.55 -2.28 -0.17 0.00 -1.95 0.00 0.00 55.36 51.51 2wmk s GLN 945 Cb -0.45 -4.72 -0.01 0.00 -0.22 0.00 0.00 33.01 27.61 2wmk s GLN 945 CO 0.57 -1.54 1.18 -0.06 -0.25 0.00 0.00 175.29 175.19 2wmk s PHE 946 N 1.18 2.36 1.14 0.91 0.08 -1.26 -0.57 117.98 121.82 2wmk s PHE 946 Ca 0.28 1.55 -0.16 0.00 0.12 0.00 0.00 56.93 58.72 2wmk s PHE 946 Cb -0.07 -3.39 0.26 0.00 -0.57 0.00 0.00 43.02 39.24 2wmk s PHE 946 CO -0.08 -2.16 1.08 0.20 -0.10 0.00 0.00 175.22 174.16 2wmk s GLY 947 N -1.96 1.56 0.35 4.36 0.00 -1.18 -4.34 107.32 106.11 2wmk s GLY 947 Ca 0.74 -0.66 -0.18 0.00 0.00 0.00 0.00 44.72 44.61 2wmk s GLY 947 CO 0.38 0.12 0.82 -0.54 0.00 0.00 0.00 173.10 173.88 2wmk s GLU 948 N -5.14 4.15 0.44 2.90 0.41 -1.26 -4.97 118.70 115.22 2wmk s GLU 948 Ca 0.68 0.89 -0.25 0.00 -0.41 0.00 0.00 54.97 55.89 2wmk s GLU 948 Cb -0.15 -2.41 -0.09 0.00 -1.78 0.00 0.00 34.13 29.69 2wmk s GLU 948 CO 0.57 0.12 1.18 1.63 -0.49 0.00 0.00 175.26 178.28 2wmk n LYS 949 N -0.29 1.69 -4.08 1.61 5.02 -1.26 -4.65 118.16 116.21 2wmk n LYS 949 Ca 0.04 0.61 -0.10 0.00 -2.02 0.00 0.00 58.31 56.84 2wmk n LYS 949 Cb 0.53 -2.28 -0.11 0.00 -0.02 0.00 0.00 35.03 33.15 2wmk n LYS 949 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 2wmk s ARG 950 N -2.22 0.57 -0.03 1.97 1.70 0.03 -4.79 118.95 116.18 2wmk s ARG 950 Ca 0.63 -1.00 -0.17 0.00 -0.47 0.00 0.00 55.73 54.72 2wmk s ARG 950 Cb -0.51 -0.02 -0.05 0.00 -0.57 0.00 0.00 34.95 33.79 2wmk s ARG 950 CO 0.57 -0.04 0.47 0.08 -1.08 0.00 0.00 175.30 175.29 2wmk s VAL 951 N -2.69 5.02 -0.05 4.99 1.01 -1.26 -1.86 120.40 125.56 2wmk s VAL 951 Ca -0.01 0.96 0.06 0.00 0.00 0.00 0.00 61.98 62.99 2wmk s VAL 951 Cb -0.01 -3.79 -0.01 0.00 0.00 0.00 0.00 36.38 32.57 2wmk s VAL 951 CO -0.04 0.48 -0.24 -0.89 0.00 0.00 0.00 175.10 174.41 2wmk s THR 952 N -0.46 1.93 -0.08 3.92 2.01 0.13 -4.49 115.64 118.60 2wmk s THR 952 Ca 0.26 -1.00 0.03 0.00 0.31 0.00 0.00 61.69 61.28 2wmk s THR 952 Cb -0.17 -1.63 -0.02 0.00 0.01 0.00 0.00 72.50 70.70 2wmk s THR 952 CO 0.13 0.54 -0.17 -0.54 -0.69 0.00 0.00 174.62 173.90 2wmk s LYS 953 N -0.17 2.86 -0.06 4.92 1.02 -0.94 -0.24 119.74 127.13 2wmk s LYS 953 Ca -0.02 -0.75 0.00 0.00 0.02 0.00 0.00 55.97 55.23 2wmk s LYS 953 Cb -0.13 -2.42 0.02 0.00 -0.52 0.00 0.00 37.83 34.78 2wmk s LYS 953 CO 0.03 0.40 -0.05 0.42 -0.92 0.00 0.00 175.35 175.23 2wmk s ILE 954 N -0.17 0.68 -0.18 2.17 1.01 -0.23 -1.11 121.20 123.37 2wmk s ILE 954 Ca -0.01 -0.15 0.01 0.00 0.00 0.00 0.00 60.65 60.49 2wmk s ILE 954 Cb -0.14 -0.71 0.01 0.00 0.01 0.00 0.00 42.46 41.64 2wmk s ILE 954 CO 0.03 0.28 -0.18 -0.69 0.00 0.00 0.00 174.94 174.38 2wmk s VAL 955 N 1.23 2.27 -0.17 2.92 1.01 0.89 -0.16 120.40 128.38 2wmk s VAL 955 Ca -0.06 -0.88 -0.06 0.00 0.00 0.00 0.00 61.98 60.98 2wmk s VAL 955 Cb -0.14 -1.96 -0.04 0.00 0.00 0.00 0.00 36.38 34.25 2wmk s VAL 955 CO -0.02 0.53 0.03 -0.76 0.00 0.00 0.00 175.10 174.88 2wmk s LEU 956 N 1.19 3.63 0.00 3.92 1.43 0.09 -0.86 118.68 128.09 2wmk s LEU 956 Ca 0.02 0.02 0.06 0.00 -1.03 0.00 0.00 54.13 53.20 2wmk s LEU 956 Cb -0.14 -1.90 -0.03 0.00 0.03 0.00 0.00 46.19 44.15 2wmk s LEU 956 CO -0.09 0.18 -0.19 -0.13 0.23 0.00 0.00 176.35 176.35 2wmk s ARG 957 N 0.34 2.19 0.00 1.70 0.52 -0.33 -1.17 118.95 122.20 2wmk s ARG 957 Ca 0.01 -0.89 0.00 0.00 -0.52 0.00 0.00 55.73 54.33 2wmk s ARG 957 Cb -0.13 -2.20 0.00 0.00 0.52 0.00 0.00 34.95 33.14 2wmk s ARG 957 CO 0.01 0.57 0.00 0.41 0.02 0.00 0.00 175.30 176.31 2wmk n GLY 958 N 1.97 1.31 3.19 -3.53 0.00 -0.30 -1.93 105.19 105.90 2wmk n GLY 958 Ca -0.16 -0.21 -0.31 0.00 0.00 0.00 0.00 46.02 45.33 2wmk n GLY 958 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wmk s ILE 959 N -2.12 1.97 -0.47 -0.61 -1.09 -0.50 -4.80 121.20 113.58 2wmk s ILE 959 Ca 0.00 -0.96 0.17 0.00 -2.23 0.00 0.00 60.65 57.63 2wmk s ILE 959 Cb 0.00 -1.72 -0.22 0.00 -1.58 0.00 0.00 42.46 38.93 2wmk s ILE 959 CO 0.00 0.54 0.58 0.47 -1.23 0.00 0.00 174.94 175.30 2wmk n ASP 960 N 3.67 0.87 -4.02 3.58 8.00 -1.26 -3.80 116.55 123.60 2wmk n ASP 960 Ca -0.19 -0.51 -0.08 0.00 0.71 0.00 0.00 54.79 54.71 2wmk n ASP 960 Cb 0.53 1.35 -0.10 0.00 -0.02 0.00 0.00 41.12 42.87 2wmk n ASP 960 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 2wmk s LYS 961 N -2.88 0.48 -0.13 -1.24 -2.85 -1.26 -5.03 119.74 106.82 2wmk s LYS 961 Ca 0.01 -0.89 -0.34 0.00 -1.00 0.00 0.00 55.97 53.75 2wmk s LYS 961 Cb 0.12 0.17 -0.11 0.00 -2.06 0.00 0.00 37.83 35.95 2wmk s LYS 961 CO 0.72 -0.09 1.94 -0.11 0.10 0.00 0.00 175.35 177.91 2wmk n LEU 962 N 0.84 3.28 -4.76 2.77 7.94 -1.26 -4.97 117.00 120.85 2wmk n LEU 962 Ca -0.19 0.85 -0.32 0.00 -1.11 0.00 0.00 56.01 55.24 2wmk n LEU 962 Cb 0.58 -1.37 0.08 0.00 0.53 0.00 0.00 43.42 43.24 2wmk n LEU 962 CO 0.24 -0.18 0.73 -2.84 -1.11 0.00 0.00 177.39 174.23 2wmk s PRO 963 N 4.50 2.37 0.11 1.96 0.02 -1.26 -4.94 135.00 137.77 2wmk s PRO 963 Ca 0.95 1.36 0.05 0.00 0.02 0.00 0.00 61.00 63.38 2wmk s PRO 963 Cb -0.69 -1.90 -0.04 0.00 0.02 0.00 0.00 34.50 31.89 2wmk s PRO 963 CO 0.50 -1.58 0.01 0.95 -0.33 0.00 0.00 177.00 176.56 2wmk s THR 964 N -2.55 4.02 -0.18 0.99 -4.23 -0.72 -4.91 115.64 108.06 2wmk s THR 964 Ca 0.65 -1.08 -0.11 0.00 -1.18 0.00 0.00 61.69 59.98 2wmk s THR 964 Cb -0.20 -2.95 -0.05 0.00 1.34 0.00 0.00 72.50 70.64 2wmk s THR 964 CO 0.49 0.05 0.18 -0.63 -0.54 0.00 0.00 174.62 174.17 2wmk s ILE 965 N -1.44 5.38 0.10 2.99 1.01 -1.26 -0.75 121.20 127.23 2wmk s ILE 965 Ca 0.27 0.30 0.03 0.00 0.00 0.00 0.00 60.65 61.25 2wmk s ILE 965 Cb -0.11 -3.51 -0.04 0.00 0.01 0.00 0.00 42.46 38.81 2wmk s ILE 965 CO 0.19 0.44 -0.09 -1.00 0.00 0.00 0.00 174.94 174.48 2wmk s HIS 966 N 0.27 1.05 -1.40 3.97 3.76 0.09 -4.90 115.29 118.12 2wmk s HIS 966 Ca 0.11 -0.70 -0.06 0.00 -0.15 0.00 0.00 55.06 54.26 2wmk s HIS 966 Cb -0.12 -0.57 0.03 0.00 1.11 0.00 0.00 32.58 33.04 2wmk s HIS 966 CO 0.00 -0.02 0.83 0.43 -0.85 0.00 0.00 174.74 175.14 2wmk n SER 967 N 0.41 -2.81 -4.69 1.40 7.64 -1.26 -0.80 113.62 113.50 2wmk n SER 967 Ca -0.15 -0.79 -0.42 0.00 1.01 0.00 0.00 58.87 58.52 2wmk n SER 967 Cb 0.58 -4.02 -0.03 0.00 -1.01 0.00 0.00 64.21 59.73 2wmk n SER 967 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2wmk s LEU 968 N -6.95 4.27 0.24 -3.43 2.96 -1.26 -4.04 118.68 110.47 2wmk s LEU 968 Ca 0.29 1.45 -0.17 0.00 -0.22 0.00 0.00 54.13 55.48 2wmk s LEU 968 Cb -0.14 -3.44 0.01 0.00 0.50 0.00 0.00 46.19 43.11 2wmk s LEU 968 CO 0.82 -0.36 0.57 -0.94 -1.32 0.00 0.00 176.35 175.11 2wmk s SER 969 N 1.06 -0.19 0.00 3.68 1.04 -0.46 -5.02 113.70 113.80 2wmk s SER 969 Ca 0.46 -0.70 0.00 0.00 0.48 0.00 0.00 55.95 56.19 2wmk s SER 969 Cb -0.18 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.57 2wmk s SER 969 CO 0.19 -1.18 0.00 0.61 0.98 0.00 0.00 173.24 173.84 2wmk n GLY 970 N -0.40 -1.69 3.64 7.32 0.00 -1.26 -0.82 105.19 111.99 2wmk n GLY 970 Ca -0.05 -1.11 -0.46 0.00 0.00 0.00 0.00 46.02 44.41 2wmk n GLY 970 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2wmk n THR 971 N 2.52 1.06 -1.69 2.61 -1.04 -0.01 -4.83 114.28 112.90 2wmk n THR 971 Ca 0.00 -0.26 -0.44 0.00 -2.04 0.00 0.00 64.05 61.31 2wmk n THR 971 Cb 0.00 -1.30 -0.02 0.00 -1.82 0.00 0.00 70.33 67.19 2wmk n THR 971 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2wmk n ASN 972 N 1.99 2.93 -2.04 8.00 3.02 -1.26 -2.75 115.26 125.15 2wmk n ASN 972 Ca 0.12 1.15 -0.21 0.00 -0.03 0.00 0.00 54.58 55.61 2wmk n ASN 972 Cb 0.30 -1.46 -0.04 0.00 -0.61 0.00 0.00 39.78 37.97 2wmk n ASN 972 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2wmk n ASN 973 N 1.99 -5.72 -0.03 6.41 5.03 -1.26 -4.88 115.26 116.80 2wmk n ASN 973 Ca 0.10 0.20 0.00 0.00 0.87 0.00 0.00 54.58 55.76 2wmk n ASN 973 Cb 0.33 -4.86 0.00 0.00 -1.02 0.00 0.00 39.78 34.23 2wmk n ASN 973 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 2wmk n SER 974 N -1.70 1.23 -3.81 6.41 3.41 -1.11 -5.04 113.62 113.02 2wmk n SER 974 Ca -0.23 -1.20 -0.12 0.00 -0.26 0.00 0.00 58.87 57.06 2wmk n SER 974 Cb 0.68 -0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.54 2wmk n SER 974 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 2wmk s TYR 975 N -0.22 -0.08 0.56 7.33 -0.85 -1.26 -1.36 117.35 121.47 2wmk s TYR 975 Ca 0.01 0.06 -0.03 0.00 -0.52 0.00 0.00 57.07 56.59 2wmk s TYR 975 Cb 0.01 0.03 0.02 0.00 0.38 0.00 0.00 41.96 42.40 2wmk s TYR 975 CO 0.01 -0.37 0.83 -0.51 -1.52 0.00 0.00 175.55 173.99 2wmk s ASP 976 N -1.48 5.47 0.18 -0.18 1.01 -0.78 -5.02 116.67 115.87 2wmk s ASP 976 Ca -0.13 0.41 -0.32 0.00 0.71 0.00 0.00 52.55 53.23 2wmk s ASP 976 Cb -0.05 -1.40 -0.11 0.00 1.01 0.00 0.00 42.92 42.37 2wmk s ASP 976 CO 0.02 -1.06 1.73 -1.58 0.21 0.00 0.00 175.17 174.49 2wmk s GLN 977 N -4.87 4.14 0.25 8.23 2.00 -1.26 -4.74 119.66 123.41 2wmk s GLN 977 Ca 0.54 2.57 -0.31 0.00 -2.00 0.00 0.00 55.36 56.16 2wmk s GLN 977 Cb -0.10 -3.24 -0.13 0.00 0.80 0.00 0.00 33.01 30.34 2wmk s GLN 977 CO 0.42 -0.76 1.48 -2.30 -0.50 0.00 0.00 175.29 173.63 2wmk n PRO 978 N 4.49 2.27 -3.32 1.67 -0.02 -1.26 -4.90 135.00 133.93 2wmk n PRO 978 Ca 0.16 0.81 -0.38 0.00 -2.02 0.00 0.00 63.50 62.07 2wmk n PRO 978 Cb 0.36 -2.52 -0.06 0.00 -0.02 0.00 0.00 33.50 31.27 2wmk n PRO 978 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2wmk s SER 979 N 0.41 6.89 -0.14 2.55 0.01 -0.45 -4.92 113.70 118.05 2wmk s SER 979 Ca 0.67 1.06 0.02 0.00 1.31 0.00 0.00 55.95 59.02 2wmk s SER 979 Cb -0.60 -2.32 0.00 0.00 0.21 0.00 0.00 66.02 63.32 2wmk s SER 979 CO 0.48 0.19 -0.19 -0.76 0.41 0.00 0.00 173.24 173.36 2wmk s LEU 980 N -0.49 2.27 -0.47 2.44 1.02 -1.26 -1.28 118.68 120.91 2wmk s LEU 980 Ca 0.27 -0.54 0.04 0.00 0.02 0.00 0.00 54.13 53.93 2wmk s LEU 980 Cb -0.17 -1.49 0.12 0.00 0.02 0.00 0.00 46.19 44.67 2wmk s LEU 980 CO 0.15 0.10 0.20 0.21 0.02 0.00 0.00 176.35 177.03 2wmk s ASN 981 N 0.73 4.38 -0.16 2.29 2.47 -0.01 -4.97 114.94 119.66 2wmk s ASN 981 Ca -0.08 -2.76 -0.28 0.00 0.42 0.00 0.00 52.86 50.16 2wmk s ASN 981 Cb -0.16 -1.59 -0.01 0.00 -1.45 0.00 0.00 41.25 38.05 2wmk s ASN 981 CO 0.01 -0.27 0.95 0.12 -3.72 0.00 0.00 177.10 174.19 2wmk s PHE 982 N 0.07 3.43 -0.66 0.43 5.36 -1.26 -1.51 117.98 123.84 2wmk s PHE 982 Ca 0.15 1.44 -0.08 0.00 -0.96 0.00 0.00 56.93 57.48 2wmk s PHE 982 Cb -0.24 -3.15 0.17 0.00 -0.34 0.00 0.00 43.02 39.46 2wmk s PHE 982 CO -0.02 -0.30 0.53 0.34 -1.46 0.00 0.00 175.22 174.30 2wmk s ASP 983 N 1.15 5.85 0.22 6.13 -1.08 0.14 -4.98 116.67 124.09 2wmk s ASP 983 Ca 0.43 -2.59 -0.10 0.00 -0.52 0.00 0.00 52.55 49.78 2wmk s ASP 983 Cb -0.17 -2.01 0.32 0.00 -1.46 0.00 0.00 42.92 39.60 2wmk s ASP 983 CO 0.13 -0.51 1.67 -0.61 0.52 0.00 0.00 175.17 176.36 2wmk h GLN 984 N 7.60 0.14 -0.05 4.34 5.75 -1.94 -0.60 115.11 130.35 2wmk h GLN 984 Ca -0.02 -0.01 -0.09 0.00 -0.15 0.00 0.00 58.65 58.38 2wmk h GLN 984 Cb 1.01 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.51 2wmk h GLN 984 CO 0.76 0.09 -0.38 1.57 -2.65 0.00 0.00 178.83 178.22 2wmk h LYS 985 N 0.14 0.10 -0.50 1.69 2.10 -1.95 -2.30 116.57 115.86 2wmk h LYS 985 Ca 0.33 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.94 2wmk h LYS 985 Cb 0.54 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.87 2wmk h LYS 985 CO -0.52 0.47 0.00 0.09 -2.00 0.00 0.00 179.45 177.49 2wmk n ASN 986 N -4.07 3.64 -4.10 7.07 5.03 -0.84 -4.98 115.26 117.02 2wmk n ASN 986 Ca -0.02 -2.00 -0.37 0.00 0.87 0.00 0.00 54.58 53.06 2wmk n ASN 986 Cb 0.43 -0.32 -0.02 0.00 -1.02 0.00 0.00 39.78 38.85 2wmk n ASN 986 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 2wmk n HIS 987 N 1.57 -1.43 -3.86 3.10 8.25 -0.29 -4.70 115.22 117.86 2wmk n HIS 987 Ca 0.21 0.37 -0.10 0.00 -0.26 0.00 0.00 57.72 57.93 2wmk n HIS 987 Cb 0.62 -2.98 -0.09 0.00 1.12 0.00 0.00 29.99 28.66 2wmk n HIS 987 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2wmk s MET 988 N -7.17 0.65 -0.02 -0.41 0.23 -1.04 -1.15 119.30 110.40 2wmk s MET 988 Ca 0.27 -0.61 0.02 0.00 -1.03 0.00 0.00 55.69 54.34 2wmk s MET 988 Cb -0.14 0.27 0.00 0.00 -1.53 0.00 0.00 34.83 33.43 2wmk s MET 988 CO 0.96 -0.18 -0.08 0.54 -2.03 0.00 0.00 175.02 174.23 2wmk s VAL 989 N -2.38 0.67 -0.25 5.16 0.11 -0.32 0.25 120.40 123.64 2wmk s VAL 989 Ca -0.07 -0.30 -0.09 0.00 -2.93 0.00 0.00 61.98 58.59 2wmk s VAL 989 Cb -0.02 -0.60 -0.04 0.00 -1.53 0.00 0.00 36.38 34.19 2wmk s VAL 989 CO -0.03 0.21 0.11 -0.89 -3.33 0.00 0.00 175.10 171.17 2wmk s THR 990 N 0.18 4.74 -0.20 5.04 2.01 -0.57 -0.73 115.64 126.11 2wmk s THR 990 Ca -0.03 -0.03 -0.05 0.00 0.31 0.00 0.00 61.69 61.90 2wmk s THR 990 Cb -0.08 -3.22 -0.02 0.00 0.01 0.00 0.00 72.50 69.20 2wmk s THR 990 CO 0.00 0.33 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.61 2wmk s ILE 991 N 1.48 3.80 -0.17 1.82 1.01 0.77 -0.83 121.20 129.07 2wmk s ILE 991 Ca 0.06 -0.37 -0.02 0.00 0.00 0.00 0.00 60.65 60.33 2wmk s ILE 991 Cb -0.15 -2.71 -0.01 0.00 0.01 0.00 0.00 42.46 39.60 2wmk s ILE 991 CO 0.06 0.43 -0.10 -0.89 0.00 0.00 0.00 174.94 174.43 2wmk s THR 992 N 1.07 3.07 -0.10 2.92 2.01 -0.41 -1.07 115.64 123.14 2wmk s THR 992 Ca 0.02 -0.62 0.01 0.00 0.31 0.00 0.00 61.69 61.41 2wmk s THR 992 Cb -0.14 -2.34 -0.02 0.00 0.01 0.00 0.00 72.50 70.01 2wmk s THR 992 CO 0.01 0.49 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.66 2wmk s ILE 993 N 0.92 3.08 -0.26 1.82 1.01 0.67 -1.34 121.20 127.11 2wmk s ILE 993 Ca -0.02 -0.68 0.01 0.00 0.00 0.00 0.00 60.65 59.96 2wmk s ILE 993 Cb -0.15 -2.26 0.07 0.00 0.01 0.00 0.00 42.46 40.13 2wmk s ILE 993 CO -0.00 0.55 -0.03 0.21 0.00 0.00 0.00 174.94 175.67 2wmk s ASN 994 N -0.12 4.06 0.20 3.58 3.04 -1.26 -0.69 114.94 123.75 2wmk s ASN 994 Ca -0.01 -1.39 -0.21 0.00 0.04 0.00 0.00 52.86 51.29 2wmk s ASN 994 Cb -0.14 -1.25 0.04 0.00 -1.54 0.00 0.00 41.25 38.37 2wmk s ASN 994 CO 0.03 -0.27 0.62 -0.94 -3.04 0.00 0.00 177.10 173.50 2wmk s SER 995 N 1.32 -0.40 -0.35 -4.21 1.04 -0.77 -1.87 113.70 108.45 2wmk s SER 995 Ca -0.02 -0.30 0.04 0.00 0.48 0.00 0.00 55.95 56.15 2wmk s SER 995 Cb -0.19 0.63 0.16 0.00 0.10 0.00 0.00 66.02 66.73 2wmk s SER 995 CO -0.08 -1.10 0.45 0.21 0.98 0.00 0.00 173.24 173.69 2wmk s ASN 996 N -2.83 0.27 0.00 7.02 3.04 -0.47 -0.79 114.94 121.18 2wmk s ASN 996 Ca 0.06 -0.95 0.00 0.00 0.04 0.00 0.00 52.86 52.01 2wmk s ASN 996 Cb -0.03 1.08 0.00 0.00 -1.54 0.00 0.00 41.25 40.76 2wmk s ASN 996 CO -0.05 -0.28 0.00 0.61 -3.04 0.00 0.00 177.10 174.35 2wmk n GLY 997 N 4.71 -1.09 3.84 1.21 0.00 -1.26 -4.76 105.19 107.84 2wmk n GLY 997 Ca 0.07 -1.19 -0.34 0.00 0.00 0.00 0.00 46.02 44.55 2wmk n GLY 997 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2wmk s ASN 998 N -4.00 6.86 -0.07 1.61 3.04 -1.26 -1.62 114.94 119.49 2wmk s ASN 998 Ca 0.00 1.22 -0.06 0.00 0.04 0.00 0.00 52.86 54.06 2wmk s ASN 998 Cb 0.00 -2.34 0.02 0.00 -1.54 0.00 0.00 41.25 37.39 2wmk s ASN 998 CO 0.00 -0.03 0.18 -0.22 -3.04 0.00 0.00 177.10 173.99 2wmk s LEU 999 N -2.37 1.19 0.00 3.21 2.96 0.11 -0.83 118.68 122.95 2wmk s LEU 999 Ca 0.45 0.37 -0.06 0.00 -0.22 0.00 0.00 54.13 54.66 2wmk s LEU 999 Cb -0.14 0.60 -0.00 0.00 0.50 0.00 0.00 46.19 47.15 2wmk s LEU 999 CO 0.20 -0.08 0.12 -1.83 -1.32 0.00 0.00 176.35 173.44 2wmk s GLU 1000N 0.29 0.46 0.04 1.98 -1.05 -0.00 -0.46 118.70 119.98 2wmk s GLU 1000Ca -0.02 -0.42 -0.28 0.00 -0.15 0.00 0.00 54.97 54.10 2wmk s GLU 1000Cb -0.03 0.19 0.10 0.00 -0.44 0.00 0.00 34.13 33.95 2wmk s GLU 1000CO -0.01 -0.11 1.10 -0.59 0.95 0.00 0.00 175.26 176.60 2wmk s PHE 1001N -1.38 -0.12 -0.02 4.83 -0.12 -0.65 -1.36 117.98 119.17 2wmk s PHE 1001Ca -0.15 -0.07 0.08 0.00 -0.05 0.00 0.00 56.93 56.73 2wmk s PHE 1001Cb -0.08 0.58 -0.02 0.00 -0.63 0.00 0.00 43.02 42.87 2wmk s PHE 1001CO 0.01 -0.54 -0.25 -1.21 -0.05 0.00 0.00 175.22 173.19 2wmk s GLU 1002N -2.87 2.14 -0.19 1.99 2.02 0.02 -0.44 118.70 121.38 2wmk s GLU 1002Ca 0.12 -0.91 -0.10 0.00 0.02 0.00 0.00 54.97 54.10 2wmk s GLU 1002Cb 0.01 -2.08 -0.05 0.00 0.10 0.00 0.00 34.13 32.11 2wmk s GLU 1002CO -0.02 0.57 0.15 -0.51 0.02 0.00 0.00 175.26 175.47 2wmk s LEU 1003N -0.67 4.23 -0.18 1.80 1.43 0.33 -0.73 118.68 124.89 2wmk s LEU 1003Ca 0.10 0.29 -0.05 0.00 -1.03 0.00 0.00 54.13 53.45 2wmk s LEU 1003Cb -0.10 -2.13 -0.03 0.00 0.03 0.00 0.00 46.19 43.97 2wmk s LEU 1003CO -0.01 0.19 -0.01 -1.00 0.23 0.00 0.00 176.35 175.75 2wmk s HIS 1004N 0.24 3.04 0.00 0.29 3.76 0.07 -0.89 115.29 121.80 2wmk s HIS 1004Ca 0.10 -0.40 0.00 0.00 -0.15 0.00 0.00 55.06 54.61 2wmk s HIS 1004Cb -0.11 -2.04 0.00 0.00 1.11 0.00 0.00 32.58 31.54 2wmk s HIS 1004CO -0.01 -0.17 0.00 1.97 -0.85 0.00 0.00 174.74 175.69