#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 6.39 0.36 6.55 1.01 -1.26 -4.71 116.67 125.01 2wmk s ASP 423 Ca 0.00 2.83 -0.28 0.00 0.71 0.00 0.00 52.55 55.81 2wmk s ASP 423 Cb 0.00 -2.58 -0.10 0.00 1.01 0.00 0.00 42.92 41.25 2wmk s ASP 423 CO 0.00 -1.00 1.28 -0.54 0.21 0.00 0.00 175.17 175.12 2wmk s LYS 424 N 2.09 4.21 0.42 8.23 -0.14 -1.26 -4.38 119.74 128.91 2wmk s LYS 424 Ca 0.79 2.15 0.23 0.00 -1.36 0.00 0.00 55.97 57.77 2wmk s LYS 424 Cb -0.48 -2.94 0.65 0.00 -1.68 0.00 0.00 37.83 33.38 2wmk s LYS 424 CO 0.35 -0.28 1.71 0.00 -0.76 0.00 0.00 175.35 176.36 2wmk h ARG 425 N 3.10 0.00 -3.36 1.68 3.08 -0.96 -3.46 114.38 114.47 2wmk h ARG 425 Ca -0.49 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.52 2wmk h ARG 425 Cb 1.23 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 31.17 2wmk h ARG 425 CO 0.64 0.21 -0.02 -0.98 -1.07 0.00 0.00 179.97 178.75 2wmk s ARG 426 N -3.39 1.23 0.02 0.04 1.70 -1.26 -5.06 118.95 112.23 2wmk s ARG 426 Ca 0.03 -0.79 -0.12 0.00 -0.47 0.00 0.00 55.73 54.38 2wmk s ARG 426 Cb 0.08 0.49 -0.06 0.00 -0.57 0.00 0.00 34.95 34.90 2wmk s ARG 426 CO 0.66 -0.50 0.37 -2.00 -1.08 0.00 0.00 175.30 172.75 2wmk s GLU 427 N -3.84 3.79 -0.20 3.89 2.56 -1.26 -5.07 118.70 118.57 2wmk s GLU 427 Ca 0.07 0.24 -0.03 0.00 0.00 0.00 0.00 54.97 55.25 2wmk s GLU 427 Cb 0.00 -3.12 0.06 0.00 2.00 0.00 0.00 34.13 33.08 2wmk s GLU 427 CO -0.07 0.65 0.04 0.42 -0.56 0.00 0.00 175.26 175.73 2wmk s ILE 428 N -1.21 0.54 0.05 -3.70 1.01 -1.26 -4.87 121.20 111.76 2wmk s ILE 428 Ca 0.27 -0.61 -0.03 0.00 0.00 0.00 0.00 60.65 60.28 2wmk s ILE 428 Cb -0.15 -1.07 0.01 0.00 0.01 0.00 0.00 42.46 41.26 2wmk s ILE 428 CO 0.14 -0.24 0.14 -0.46 0.00 0.00 0.00 174.94 174.52 2wmk n ASN 429 N 5.04 -0.32 0.04 3.58 0.23 -0.72 -4.83 115.26 118.29 2wmk n ASN 429 Ca -0.09 -1.20 0.04 0.00 -0.53 0.00 0.00 54.58 52.81 2wmk n ASN 429 Cb 0.47 0.52 0.44 0.00 -2.08 0.00 0.00 39.78 39.13 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 0.31 0.39 1.49 0.53 -1.07 -1.90 -0.93 115.58 114.40 2wmk h ASN 430 Ca -0.05 -0.02 -0.03 0.00 0.07 0.00 0.00 56.30 56.27 2wmk h ASN 430 Cb 0.19 -0.10 -0.00 0.00 -2.07 0.00 0.00 38.32 36.34 2wmk h ASN 430 CO 0.06 0.32 -0.52 -0.33 0.07 0.00 0.00 177.43 177.03 2wmk h GLU 431 N 0.45 0.00 -2.13 4.14 5.08 -1.91 -3.34 114.58 116.87 2wmk h GLU 431 Ca 0.12 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.90 2wmk h GLU 431 Cb 0.01 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 28.85 2wmk h GLU 431 CO -0.02 0.10 -0.81 0.72 -1.00 0.00 0.00 179.01 178.00 2wmk n HIS 432 N -2.96 2.23 -1.04 4.33 8.25 -0.44 -4.99 115.22 120.61 2wmk n HIS 432 Ca 0.01 -3.93 -0.29 0.00 -0.26 0.00 0.00 57.72 53.25 2wmk n HIS 432 Cb 0.59 -0.48 0.22 0.00 1.12 0.00 0.00 29.99 31.45 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 -2.26 -0.81 -0.05 -0.41 0.04 -0.69 -1.75 135.00 129.06 2wmk s PRO 433 Ca 0.40 0.17 0.01 0.00 0.04 0.00 0.00 61.00 61.61 2wmk s PRO 433 Cb 0.19 -1.62 0.02 0.00 0.04 0.00 0.00 34.50 33.13 2wmk s PRO 433 CO -0.07 -3.49 -0.04 -1.17 0.04 0.00 0.00 177.00 172.28 2wmk s LEU 434 N -6.86 1.26 -0.26 -3.56 2.96 0.08 -4.69 118.68 107.61 2wmk s LEU 434 Ca 0.69 -0.13 -0.06 0.00 -0.22 0.00 0.00 54.13 54.41 2wmk s LEU 434 Cb -0.14 -0.46 -0.01 0.00 0.50 0.00 0.00 46.19 46.09 2wmk s LEU 434 CO 0.57 -0.07 0.04 -0.22 -1.32 0.00 0.00 176.35 175.35 2wmk s LEU 435 N 1.03 3.44 0.17 -0.68 2.96 0.41 -1.53 118.68 124.48 2wmk s LEU 435 Ca -0.09 -0.46 -0.28 0.00 -0.22 0.00 0.00 54.13 53.07 2wmk s LEU 435 Cb -0.14 -1.85 -0.08 0.00 0.50 0.00 0.00 46.19 44.62 2wmk s LEU 435 CO -0.01 -0.09 0.88 -0.04 -1.32 0.00 0.00 176.35 175.78 2wmk s MET 436 N 1.53 4.71 -0.45 1.98 -1.94 -0.10 -2.14 119.30 122.88 2wmk s MET 436 Ca 0.05 1.35 0.03 0.00 -1.71 0.00 0.00 55.69 55.41 2wmk s MET 436 Cb -0.16 -3.31 0.12 0.00 2.01 0.00 0.00 34.83 33.50 2wmk s MET 436 CO 0.01 0.43 0.20 -1.64 -0.01 0.00 0.00 175.02 174.01 2wmk s MET 437 N -0.76 1.67 0.32 2.03 1.00 -0.16 -4.67 119.30 118.73 2wmk s MET 437 Ca 0.41 -2.26 -0.27 0.00 0.00 0.00 0.00 55.69 53.57 2wmk s MET 437 Cb -0.24 -3.04 -0.09 0.00 0.00 0.00 0.00 34.83 31.46 2wmk s MET 437 CO 0.29 -1.07 1.04 -1.25 0.00 0.00 0.00 175.02 174.03 2wmk s PRO 438 N 0.20 4.49 -0.15 2.03 0.04 -1.26 -0.56 135.00 139.79 2wmk s PRO 438 Ca 0.15 1.61 -0.01 0.00 0.04 0.00 0.00 61.00 62.79 2wmk s PRO 438 Cb -0.24 -2.93 0.04 0.00 0.04 0.00 0.00 34.50 31.41 2wmk s PRO 438 CO -0.03 0.14 -0.02 -0.51 0.04 0.00 0.00 177.00 176.61 2wmk s LEU 439 N -1.90 1.27 -0.27 -3.56 1.43 0.03 -4.89 118.68 110.79 2wmk s LEU 439 Ca 0.49 -0.56 -0.10 0.00 -1.03 0.00 0.00 54.13 52.93 2wmk s LEU 439 Cb -0.26 -0.73 -0.05 0.00 0.03 0.00 0.00 46.19 45.18 2wmk s LEU 439 CO 0.33 -0.21 0.16 -0.31 0.23 0.00 0.00 176.35 176.55 2wmk s TYR 440 N 1.76 3.20 0.30 0.29 1.51 -1.26 -0.83 117.35 122.33 2wmk s TYR 440 Ca 0.01 0.02 -0.30 0.00 -1.01 0.00 0.00 57.07 55.80 2wmk s TYR 440 Cb -0.15 -2.34 -0.12 0.00 -0.11 0.00 0.00 41.96 39.24 2wmk s TYR 440 CO -0.07 -0.18 1.57 0.00 -1.11 0.00 0.00 175.55 175.75 2wmk n ALA 441 N 4.96 2.40 -2.81 3.71 0.00 -0.39 -0.82 120.51 127.57 2wmk n ALA 441 Ca -0.15 0.37 -0.43 0.00 0.00 0.00 0.00 53.44 53.23 2wmk n ALA 441 Cb 0.52 -2.44 -0.04 0.00 0.00 0.00 0.00 19.45 17.48 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 0.40 6.23 0.21 0.00 3.84 -0.09 -3.78 114.94 121.74 2wmk s ASN 442 Ca 0.63 -0.84 -0.08 0.00 0.21 0.00 0.00 52.86 52.78 2wmk s ASN 442 Cb -0.51 -2.39 0.14 0.00 -0.55 0.00 0.00 41.25 37.95 2wmk s ASN 442 CO 0.51 -1.26 1.76 1.23 -2.79 0.00 0.00 177.10 176.55 2wmk h GLY 443 N 10.83 1.25 0.34 1.21 0.00 -1.88 -1.71 103.07 113.11 2wmk h GLY 443 Ca -0.28 -0.70 0.05 0.00 0.00 0.00 0.00 47.33 46.40 2wmk h GLY 443 CO 1.11 0.66 -0.19 0.83 0.00 0.00 0.00 176.54 178.95 2wmk h GLU 444 N 1.12 -0.22 -0.58 4.80 5.08 -1.93 -1.76 114.58 121.11 2wmk h GLU 444 Ca 0.25 0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.56 2wmk h GLU 444 Cb 0.24 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 2wmk h GLU 444 CO -0.02 -0.14 0.10 0.93 -1.00 0.00 0.00 179.01 178.88 2wmk h GLU 445 N -0.23 0.92 -0.76 2.33 5.08 -1.83 -2.85 114.58 117.24 2wmk h GLU 445 Ca 0.11 -0.22 0.07 0.00 -1.00 0.00 0.00 59.36 58.32 2wmk h GLU 445 Cb 0.39 -0.12 -0.06 0.00 0.50 0.00 0.00 28.75 29.46 2wmk h GLU 445 CO -0.29 0.85 0.45 0.35 -1.00 0.00 0.00 179.01 179.36 2wmk h PHE 446 N 0.87 0.82 -0.27 4.33 3.57 -0.87 -0.63 116.94 124.76 2wmk h PHE 446 Ca 0.18 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.74 2wmk h PHE 446 Cb 0.38 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 2wmk h PHE 446 CO 0.02 0.39 0.18 -0.91 -2.23 0.00 0.00 178.31 175.76 2wmk h ASN 447 N 0.80 0.18 -0.13 0.41 2.35 -1.09 -0.81 115.58 117.30 2wmk h ASN 447 Ca 0.34 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.09 2wmk h ASN 447 Cb 0.21 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.54 2wmk h ASN 447 CO -0.19 0.13 0.00 0.00 -1.65 0.00 0.00 177.43 175.72 2wmk n GLN 448 N -4.49 1.35 -1.27 0.81 1.13 -0.54 -4.91 117.38 109.45 2wmk n GLN 448 Ca 0.02 -0.54 -0.04 0.00 -1.94 0.00 0.00 57.00 54.50 2wmk n GLN 448 Cb 0.19 -1.19 -0.02 0.00 0.11 0.00 0.00 30.24 29.33 2wmk n GLN 448 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2wmk n GLY 449 N 0.81 0.64 3.62 1.08 0.00 -0.31 -5.06 105.19 105.97 2wmk n GLY 449 Ca 0.08 -0.84 -0.31 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.66 2.46 -0.45 1.61 -0.14 -0.36 -4.98 119.74 115.22 2wmk s LYS 450 Ca 0.00 -0.82 -0.01 0.00 -1.36 0.00 0.00 55.97 53.79 2wmk s LYS 450 Cb 0.00 -2.47 0.12 0.00 -1.68 0.00 0.00 37.83 33.80 2wmk s LYS 450 CO 0.00 0.57 0.23 0.71 -0.76 0.00 0.00 175.35 176.10 2wmk s TYR 451 N -1.13 3.54 0.13 3.18 2.02 -1.26 -2.28 117.35 121.56 2wmk s TYR 451 Ca 0.20 -2.68 -0.03 0.00 -0.37 0.00 0.00 57.07 54.19 2wmk s TYR 451 Cb -0.11 -3.12 -0.03 0.00 -0.40 0.00 0.00 41.96 38.30 2wmk s TYR 451 CO 0.12 -0.92 0.10 0.95 -1.57 0.00 0.00 175.55 174.24 2wmk s THR 452 N 0.68 0.10 0.03 -0.71 -4.23 -1.26 -5.06 115.64 105.18 2wmk s THR 452 Ca 0.12 -1.78 0.07 0.00 -1.18 0.00 0.00 61.69 58.92 2wmk s THR 452 Cb -0.22 -1.96 -0.03 0.00 1.34 0.00 0.00 72.50 71.63 2wmk s THR 452 CO -0.04 -0.46 -0.19 -0.36 -0.54 0.00 0.00 174.62 173.03 2wmk s PHE 453 N -4.02 2.53 0.21 3.99 0.08 -1.26 -0.92 117.98 118.59 2wmk s PHE 453 Ca 0.21 -0.28 -0.32 0.00 0.12 0.00 0.00 56.93 56.66 2wmk s PHE 453 Cb 0.07 -1.48 -0.13 0.00 -0.57 0.00 0.00 43.02 40.91 2wmk s PHE 453 CO 0.01 0.21 1.56 0.91 -0.10 0.00 0.00 175.22 177.80 2wmk n TRP 454 N 1.73 2.40 -0.01 0.36 7.02 0.00 -1.78 117.44 127.16 2wmk n TRP 454 Ca -0.16 0.27 0.00 0.00 -1.02 0.00 0.00 57.50 56.59 2wmk n TRP 454 Cb 0.52 -2.55 0.00 0.00 -2.42 0.00 0.00 31.31 26.86 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 3.00 0.29 2.72 6.99 0.00 -1.26 -4.53 105.19 112.39 2wmk n GLY 455 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 0.92 3.72 -0.02 0.00 -0.73 -0.51 105.19 106.56 2wmk n GLY 456 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.87 4.16 0.24 1.61 1.01 -1.26 -4.21 116.67 115.35 2wmk s ASP 457 Ca 0.00 2.47 0.11 0.00 0.71 0.00 0.00 52.55 55.84 2wmk s ASP 457 Cb 0.00 -2.60 -0.05 0.00 1.01 0.00 0.00 42.92 41.28 2wmk s ASP 457 CO 0.00 -2.29 -0.17 0.42 0.21 0.00 0.00 175.17 173.33 2wmk s THR 458 N -1.79 2.66 0.08 -1.27 -4.23 -1.26 -4.17 115.64 105.65 2wmk s THR 458 Ca 0.77 -2.15 -0.23 0.00 -1.18 0.00 0.00 61.69 58.89 2wmk s THR 458 Cb -0.32 -2.36 -0.16 0.00 1.34 0.00 0.00 72.50 71.00 2wmk s THR 458 CO 0.45 -0.29 1.69 0.25 -0.54 0.00 0.00 174.62 176.18 2wmk h LEU 459 N 2.55 -0.01 -0.24 4.79 6.46 -1.97 -0.40 115.31 126.48 2wmk h LEU 459 Ca -0.43 -0.05 -0.03 0.00 -0.12 0.00 0.00 57.88 57.24 2wmk h LEU 459 Cb 1.24 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.16 2wmk h LEU 459 CO 0.56 0.05 0.03 0.74 -0.62 0.00 0.00 178.44 179.20 2wmk h THR 460 N -0.06 1.24 -0.56 1.05 2.02 -1.97 -2.20 112.91 112.43 2wmk h THR 460 Ca -0.00 -0.81 -0.00 0.00 0.77 0.00 0.00 66.41 66.37 2wmk h THR 460 Cb 0.06 1.29 -0.03 0.00 -1.74 0.00 0.00 68.15 67.74 2wmk h THR 460 CO 0.00 0.25 0.33 1.23 0.37 0.00 0.00 175.52 177.71 2wmk h GLY 461 N 0.21 0.81 0.87 2.16 0.00 -1.97 -0.82 103.07 104.33 2wmk h GLY 461 Ca 0.07 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 47.05 2wmk h GLY 461 CO 0.01 0.33 -0.06 1.70 0.00 0.00 0.00 176.54 178.52 2wmk h LYS 462 N 0.75 -0.17 -0.61 4.80 1.63 -1.04 -1.43 116.57 120.51 2wmk h LYS 462 Ca 0.20 0.01 0.08 0.00 -0.85 0.00 0.00 60.65 60.10 2wmk h LYS 462 Cb -0.00 0.04 -0.07 0.00 -0.60 0.00 0.00 32.23 31.60 2wmk h LYS 462 CO -0.04 0.00 0.25 2.35 -3.45 0.00 0.00 179.45 178.57 2wmk h TRP 463 N -0.31 0.44 -0.28 1.91 2.91 -1.31 -2.31 115.95 117.00 2wmk h TRP 463 Ca -0.02 0.03 -0.04 0.00 1.13 0.00 0.00 58.89 59.99 2wmk h TRP 463 Cb 0.25 -0.11 -0.02 0.00 -0.51 0.00 0.00 29.16 28.78 2wmk h TRP 463 CO -0.03 0.14 -0.02 0.93 -1.03 0.00 0.00 178.44 178.44 2wmk h GLU 464 N 0.45 0.43 -0.00 2.65 5.08 -0.88 -2.08 114.58 120.24 2wmk h GLU 464 Ca 0.30 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 2wmk h GLU 464 Cb 0.33 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.52 2wmk h GLU 464 CO -0.27 0.47 -0.09 -1.71 -1.00 0.00 0.00 179.01 176.40 2wmk n ASN 465 N -4.30 0.11 -4.71 1.42 4.05 -0.56 -4.80 115.26 106.47 2wmk n ASN 465 Ca 0.01 0.26 -0.42 0.00 0.45 0.00 0.00 54.58 54.88 2wmk n ASN 465 Cb 0.23 -0.33 -0.03 0.00 1.23 0.00 0.00 39.78 40.88 2wmk n ASN 465 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 2wmk s ILE 466 N -2.94 3.12 0.32 -1.44 1.01 -0.78 -4.93 121.20 115.55 2wmk s ILE 466 Ca 0.15 0.75 -0.28 0.00 0.00 0.00 0.00 60.65 61.27 2wmk s ILE 466 Cb 0.19 -3.48 -0.13 0.00 0.01 0.00 0.00 42.46 39.05 2wmk s ILE 466 CO 0.55 0.04 1.22 -2.65 0.00 0.00 0.00 174.94 174.10 2wmk n PRO 467 N 4.32 1.90 -0.20 2.79 -0.02 -1.26 -4.76 135.00 137.77 2wmk n PRO 467 Ca 0.13 0.67 0.12 0.00 -2.02 0.00 0.00 63.50 62.39 2wmk n PRO 467 Cb 0.41 -2.19 0.42 0.00 -0.02 0.00 0.00 33.50 32.12 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 2.50 0.55 0.64 2.55 3.32 -1.92 -0.29 116.42 123.77 2wmk h ASP 468 Ca -0.44 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 56.61 2wmk h ASP 468 Cb 1.30 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 40.76 2wmk h ASP 468 CO 0.63 0.31 -0.11 -2.24 -1.72 0.00 0.00 179.24 176.10 2wmk h ASP 469 N 0.59 0.00 0.69 6.45 2.03 -2.03 -2.95 116.42 121.20 2wmk h ASP 469 Ca 0.37 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.67 2wmk h ASP 469 Cb 0.62 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.12 2wmk h ASP 469 CO -0.14 0.11 -1.12 0.18 -1.03 0.00 0.00 179.24 177.24 2wmk n LEU 470 N -3.39 0.64 -0.24 0.15 4.77 -0.16 -4.37 117.00 114.40 2wmk n LEU 470 Ca -0.01 0.18 0.08 0.00 -0.03 0.00 0.00 56.01 56.24 2wmk n LEU 470 Cb 0.29 -0.07 0.34 0.00 -2.33 0.00 0.00 43.42 41.66 2wmk n LEU 470 CO 0.29 -0.09 1.22 0.11 -1.33 0.00 0.00 177.39 177.60 2wmk h LYS 471 N 0.00 0.75 0.00 3.23 1.57 -1.25 -0.58 116.57 120.30 2wmk h LYS 471 Ca 0.00 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2wmk h LYS 471 Cb 0.90 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.04 2wmk h LYS 471 CO 0.00 0.50 0.00 -2.30 -0.57 0.00 0.00 179.45 177.08 2wmk n PRO 472 N -4.51 0.10 0.00 3.15 -0.02 -1.26 -3.04 135.00 129.41 2wmk n PRO 472 Ca 0.14 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 2wmk n PRO 472 Cb 0.32 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.30 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 -1.40 0.00 -5.24 6.00 4.01 -0.26 -5.03 117.16 115.24 2wmk n TYR 473 Ca 0.05 -0.45 -0.31 0.00 -0.16 0.00 0.00 57.90 57.03 2wmk n TYR 473 Cb 0.14 -0.05 -0.16 0.00 -0.31 0.00 0.00 39.34 38.97 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 -0.91 1.98 -0.02 -0.72 2.01 -0.96 -0.44 115.64 116.58 2wmk s THR 474 Ca 0.00 -1.05 0.02 0.00 0.31 0.00 0.00 61.69 60.97 2wmk s THR 474 Cb 0.00 -1.66 0.00 0.00 0.01 0.00 0.00 72.50 70.85 2wmk s THR 474 CO 0.00 0.56 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.72 2wmk s VAL 475 N -0.37 0.70 0.01 3.82 1.01 -0.91 -4.87 120.40 119.78 2wmk s VAL 475 Ca 0.03 -0.32 -0.30 0.00 0.00 0.00 0.00 61.98 61.39 2wmk s VAL 475 Cb -0.12 -0.62 -0.05 0.00 0.00 0.00 0.00 36.38 35.59 2wmk s VAL 475 CO 0.01 0.22 1.34 -0.63 0.00 0.00 0.00 175.10 176.04 2wmk s ILE 476 N 0.17 3.80 -0.41 2.22 -1.09 -0.82 -0.98 121.20 124.08 2wmk s ILE 476 Ca -0.02 1.20 -0.08 0.00 -2.23 0.00 0.00 60.65 59.52 2wmk s ILE 476 Cb -0.08 -3.77 0.07 0.00 -1.58 0.00 0.00 42.46 37.11 2wmk s ILE 476 CO 0.00 0.02 0.23 -1.58 -1.23 0.00 0.00 174.94 172.39 2wmk s GLN 477 N 2.07 2.57 0.23 2.79 0.74 0.27 0.06 119.66 128.40 2wmk s GLN 477 Ca 0.62 -1.44 -0.30 0.00 0.05 0.00 0.00 55.36 54.29 2wmk s GLN 477 Cb -0.31 -3.73 -0.09 0.00 1.10 0.00 0.00 33.01 29.99 2wmk s GLN 477 CO 0.26 -0.92 0.98 -0.51 -0.55 0.00 0.00 175.29 174.55 2wmk s LEU 478 N 1.41 4.61 -0.02 3.68 1.43 -0.21 -0.79 118.68 128.78 2wmk s LEU 478 Ca 0.03 2.00 0.03 0.00 -1.03 0.00 0.00 54.13 55.16 2wmk s LEU 478 Cb -0.22 -3.61 -0.00 0.00 0.03 0.00 0.00 46.19 42.38 2wmk s LEU 478 CO 0.02 0.07 -0.11 -2.28 0.23 0.00 0.00 176.35 174.28 2wmk s HIS 479 N -1.02 1.04 -1.69 0.29 2.46 -0.01 -1.43 115.29 114.94 2wmk s HIS 479 Ca 0.43 -0.24 0.30 0.00 0.47 0.00 0.00 55.06 56.01 2wmk s HIS 479 Cb -0.27 -0.71 1.39 0.00 -0.13 0.00 0.00 32.58 32.86 2wmk s HIS 479 CO 0.34 -0.08 1.96 -0.35 -2.47 0.00 0.00 174.74 174.14 2wmk n PRO 480 N 3.10 0.72 0.00 2.88 -0.04 -1.26 -1.26 135.00 139.14 2wmk n PRO 480 Ca -0.17 -0.18 0.00 0.00 -0.04 0.00 0.00 63.50 63.12 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 -0.98 0.00 -1.78 3.54 2.03 -1.26 -0.88 116.55 117.22 2wmk n ASP 481 Ca 0.16 0.00 -0.15 0.00 0.52 0.00 0.00 54.79 55.32 2wmk n ASP 481 Cb 0.25 0.00 0.19 0.00 -0.72 0.00 0.00 41.12 40.84 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 2.16 3.25 -4.50 1.67 5.75 -1.25 -4.73 116.55 118.89 2wmk n ASP 482 Ca 0.00 -3.67 -0.41 0.00 -0.01 0.00 0.00 54.79 50.70 2wmk n ASP 482 Cb 0.00 -0.75 0.01 0.00 -1.03 0.00 0.00 41.12 39.35 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 -1.10 0.90 -4.52 -2.12 4.77 -0.06 -3.94 117.00 110.93 2wmk n LEU 483 Ca 0.48 0.93 -0.51 0.00 -0.03 0.00 0.00 56.01 56.88 2wmk n LEU 483 Cb 1.40 -1.19 -0.05 0.00 -2.33 0.00 0.00 43.42 41.25 2wmk n LEU 483 CO 0.43 -2.46 0.54 -2.65 -1.33 0.00 0.00 177.39 171.92 2wmk n PRO 484 N 0.37 0.63 -2.59 3.23 -0.02 -1.26 -4.37 135.00 130.99 2wmk n PRO 484 Ca 0.11 0.23 -0.43 0.00 -2.02 0.00 0.00 63.50 61.38 2wmk n PRO 484 Cb 0.40 -1.63 0.00 0.00 -0.02 0.00 0.00 33.50 32.25 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 1.55 3.35 -3.73 -0.52 5.02 -1.26 -4.46 118.16 118.12 2wmk n LYS 485 Ca 0.17 -3.53 -0.10 0.00 -2.02 0.00 0.00 58.31 52.83 2wmk n LYS 485 Cb 0.20 -3.12 -0.04 0.00 -0.02 0.00 0.00 35.03 32.06 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 1.90 1.35 0.38 1.97 1.70 -1.26 -4.95 118.95 120.03 2wmk s ARG 486 Ca 0.44 -0.85 -0.28 0.00 -0.47 0.00 0.00 55.73 54.57 2wmk s ARG 486 Cb 0.03 0.51 -0.11 0.00 -0.57 0.00 0.00 34.95 34.82 2wmk s ARG 486 CO 0.01 -0.57 1.48 0.34 -1.08 0.00 0.00 175.30 175.48 2wmk s ASP 487 N -2.87 6.33 0.00 -2.89 2.15 -1.26 -3.33 116.67 114.81 2wmk s ASP 487 Ca 0.09 3.05 0.00 0.00 0.43 0.00 0.00 52.55 56.11 2wmk s ASP 487 Cb -0.01 -2.67 0.00 0.00 -0.30 0.00 0.00 42.92 39.95 2wmk s ASP 487 CO -0.04 -0.88 0.00 0.61 -0.17 0.00 0.00 175.17 174.69 2wmk n GLY 488 N 0.46 3.00 0.14 2.66 0.00 -1.26 -4.91 105.19 105.28 2wmk n GLY 488 Ca 0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.27 -0.44 4.61 0.00 -1.85 -0.18 119.26 121.13 2wmk h ALA 489 Ca 0.00 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.67 2wmk h ALA 489 Cb 0.00 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2wmk h ALA 489 CO 0.00 -0.58 -0.21 0.00 0.00 0.00 0.00 179.25 178.46 2wmk h ALA 490 N 0.36 0.62 -0.45 0.00 0.00 -1.81 -1.68 119.26 116.31 2wmk h ALA 490 Ca -0.03 -0.38 0.04 0.00 0.00 0.00 0.00 54.91 54.54 2wmk h ALA 490 Cb 0.31 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 2wmk h ALA 490 CO 0.05 0.60 0.21 0.00 0.00 0.00 0.00 179.25 180.11 2wmk h ARG 491 N 0.76 0.41 0.37 0.00 3.08 -1.82 -0.20 114.38 116.98 2wmk h ARG 491 Ca 0.10 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.11 2wmk h ARG 491 Cb 0.78 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.75 2wmk h ARG 491 CO 0.06 0.27 -0.18 0.22 -1.07 0.00 0.00 179.97 179.28 2wmk h ASP 492 N 0.42 -0.42 -0.39 7.04 1.82 -0.85 0.24 116.42 124.27 2wmk h ASP 492 Ca 0.20 -0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.83 2wmk h ASP 492 Cb 0.12 0.11 -0.02 0.00 0.68 0.00 0.00 39.33 40.22 2wmk h ASP 492 CO -0.15 -0.27 0.25 0.15 -1.61 0.00 0.00 179.24 177.60 2wmk h PHE 493 N -0.54 0.51 -0.40 0.28 3.57 -1.24 -1.23 116.94 117.88 2wmk h PHE 493 Ca -0.05 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.43 2wmk h PHE 493 Cb 0.41 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 2wmk h PHE 493 CO -0.04 0.34 0.15 1.88 -2.23 0.00 0.00 178.31 178.40 2wmk h TYR 494 N 0.52 0.63 -0.73 0.41 0.05 -0.93 -1.55 116.97 115.37 2wmk h TYR 494 Ca 0.14 -0.05 0.02 0.00 0.05 0.00 0.00 58.73 58.89 2wmk h TYR 494 Cb -0.03 -0.19 -0.04 0.00 1.01 0.00 0.00 36.73 37.48 2wmk h TYR 494 CO -0.04 0.57 0.47 0.93 -1.05 0.00 0.00 178.16 179.04 2wmk h GLU 495 N 0.51 0.91 -0.43 4.88 5.08 -0.82 0.98 114.58 125.68 2wmk h GLU 495 Ca 0.13 -0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.49 2wmk h GLU 495 Cb 0.22 -0.21 -0.05 0.00 0.50 0.00 0.00 28.75 29.22 2wmk h GLU 495 CO -0.01 0.60 0.17 1.25 -1.00 0.00 0.00 179.01 180.03 2wmk h HIS 496 N 0.94 0.31 -0.16 4.33 2.76 -0.98 -1.38 115.15 120.97 2wmk h HIS 496 Ca 0.28 0.02 -0.17 0.00 -2.20 0.00 0.00 60.37 58.30 2wmk h HIS 496 Cb -0.04 -0.07 -0.01 0.00 1.55 0.00 0.00 27.41 28.84 2wmk h HIS 496 CO -0.03 0.13 -0.59 0.52 -1.30 0.00 0.00 177.93 176.66 2wmk h MET 497 N 0.35 0.54 -0.34 5.26 2.86 -0.81 -2.24 114.93 120.55 2wmk h MET 497 Ca 0.20 -0.36 -0.09 0.00 -2.06 0.00 0.00 59.70 57.39 2wmk h MET 497 Cb 0.17 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.86 2wmk h MET 497 CO -0.18 0.97 -0.18 -0.07 1.06 0.00 0.00 176.91 178.51 2wmk h LEU 498 N 0.40 0.61 -0.33 1.22 3.38 -0.66 0.07 115.31 120.01 2wmk h LEU 498 Ca -0.00 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 2wmk h LEU 498 Cb 1.14 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 2wmk h LEU 498 CO 0.11 0.80 0.13 -0.33 0.09 0.00 0.00 178.44 179.24 2wmk h GLU 499 N 0.56 0.50 -0.53 1.13 4.39 -1.14 -0.06 114.58 119.43 2wmk h GLU 499 Ca 0.09 -0.09 0.01 0.00 0.34 0.00 0.00 59.36 59.71 2wmk h GLU 499 Cb 0.62 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.16 2wmk h GLU 499 CO 0.04 0.50 0.34 1.49 -1.16 0.00 0.00 179.01 180.22 2wmk h GLU 500 N 0.39 0.67 -0.23 2.33 4.81 -1.03 -1.40 114.58 120.11 2wmk h GLU 500 Ca 0.11 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.29 2wmk h GLU 500 Cb 0.19 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 2wmk h GLU 500 CO -0.01 0.44 0.12 0.00 -0.73 0.00 0.00 179.01 178.83 2wmk h ALA 501 N 1.21 0.29 -0.46 2.92 0.00 -0.79 -2.88 119.26 119.55 2wmk h ALA 501 Ca 0.20 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 2wmk h ALA 501 Cb -0.05 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2wmk h ALA 501 CO -0.06 -0.16 0.07 0.00 0.00 0.00 0.00 179.25 179.09 2wmk h ALA 502 N 0.99 1.26 -0.31 0.00 0.00 -0.77 -0.50 119.26 119.93 2wmk h ALA 502 Ca 0.08 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2wmk h ALA 502 Cb 0.09 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2wmk h ALA 502 CO -0.01 0.51 0.00 0.36 0.00 0.00 0.00 179.25 180.10 2wmk n LYS 503 N -4.27 2.11 -1.69 0.00 2.85 -0.55 -4.31 118.16 112.31 2wmk n LYS 503 Ca 0.03 -1.69 -0.44 0.00 -1.05 0.00 0.00 58.31 55.16 2wmk n LYS 503 Cb 0.24 -1.44 -0.02 0.00 -0.65 0.00 0.00 35.03 33.16 2wmk n LYS 503 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 177.40 178.33 2wmk n TYR 504 N 0.90 2.31 -4.15 5.58 9.36 -1.10 -4.88 117.16 125.19 2wmk n TYR 504 Ca 0.17 0.41 -0.34 0.00 3.32 0.00 0.00 57.90 61.47 2wmk n TYR 504 Cb 0.46 -2.48 -0.15 0.00 -0.63 0.00 0.00 39.34 36.54 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 -0.18 2.78 -0.12 2.97 1.01 -1.26 -0.94 120.40 124.66 2wmk s VAL 505 Ca 0.66 -0.71 -0.29 0.00 0.00 0.00 0.00 61.98 61.64 2wmk s VAL 505 Cb -0.61 -2.21 -0.07 0.00 0.00 0.00 0.00 36.38 33.49 2wmk s VAL 505 CO 0.51 0.49 2.12 -3.20 0.00 0.00 0.00 175.10 175.02 2wmk n ASN 506 N 4.52 3.57 -0.06 3.32 2.85 0.45 -4.92 115.26 125.00 2wmk n ASN 506 Ca -0.19 0.49 -0.06 0.00 -0.11 0.00 0.00 54.58 54.71 2wmk n ASN 506 Cb 0.51 -1.53 -0.05 0.00 1.24 0.00 0.00 39.78 39.95 2wmk n ASN 506 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 2wmk h PRO 507 N 13.14 -0.18 0.00 1.20 0.11 -1.96 0.41 132.00 144.72 2wmk h PRO 507 Ca -0.44 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2wmk h PRO 507 Cb 1.24 0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.39 2wmk h PRO 507 CO 0.95 -0.12 0.00 1.17 -0.21 0.00 0.00 178.00 179.80 2wmk n LYS 508 N -3.91 0.00 -0.07 1.05 3.00 -1.26 -4.30 118.16 112.66 2wmk n LYS 508 Ca -0.02 0.00 0.12 0.00 -0.00 0.00 0.00 58.31 58.41 2wmk n LYS 508 Cb 0.16 0.00 0.16 0.00 0.00 0.00 0.00 35.03 35.34 2wmk n LYS 508 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2wmk n THR 509 N 0.00 0.19 -0.56 3.15 -2.24 -0.32 -4.97 114.28 109.53 2wmk n THR 509 Ca 0.00 -0.59 0.00 0.00 -2.27 0.00 0.00 64.05 61.19 2wmk n THR 509 Cb 0.00 1.26 0.00 0.00 -2.10 0.00 0.00 70.33 69.49 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 1.41 0.00 3.73 3.38 0.00 0.13 -4.97 105.19 108.87 2wmk n GLY 510 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.13 4.74 -0.24 1.61 -0.14 -1.25 -4.79 119.74 118.54 2wmk s LYS 511 Ca 0.00 1.47 -0.29 0.00 -1.36 0.00 0.00 55.97 55.79 2wmk s LYS 511 Cb 0.00 -3.35 -0.03 0.00 -1.68 0.00 0.00 37.83 32.77 2wmk s LYS 511 CO 0.00 0.29 1.72 1.21 -0.76 0.00 0.00 175.35 177.81 2wmk s ASN 512 N -0.31 6.18 -0.49 2.83 2.47 -1.26 -0.41 114.94 123.95 2wmk s ASN 512 Ca 0.45 1.58 0.03 0.00 0.42 0.00 0.00 52.86 55.34 2wmk s ASN 512 Cb -0.24 -2.53 0.14 0.00 -1.45 0.00 0.00 41.25 37.17 2wmk s ASN 512 CO 0.31 -1.43 0.27 -1.61 -3.72 0.00 0.00 177.10 170.92 2wmk s GLU 513 N 5.07 1.62 0.16 0.43 2.02 -0.11 -4.94 118.70 122.95 2wmk s GLU 513 Ca 0.76 -2.35 -0.34 0.00 0.02 0.00 0.00 54.97 53.07 2wmk s GLU 513 Cb -0.25 -2.74 -0.15 0.00 0.10 0.00 0.00 34.13 31.08 2wmk s GLU 513 CO 0.32 -1.16 1.33 -2.30 0.02 0.00 0.00 175.26 173.47 2wmk n PRO 514 N 3.22 1.52 -2.76 0.39 -0.02 -1.26 -4.64 135.00 131.46 2wmk n PRO 514 Ca 0.09 0.54 -0.42 0.00 -2.02 0.00 0.00 63.50 61.70 2wmk n PRO 514 Cb 0.34 -2.16 -0.03 0.00 -0.02 0.00 0.00 33.50 31.63 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 0.19 4.87 0.28 4.25 1.01 -0.21 -4.97 121.20 126.62 2wmk s ILE 515 Ca 0.76 1.95 -0.29 0.00 0.00 0.00 0.00 60.65 63.07 2wmk s ILE 515 Cb -0.80 -4.27 -0.10 0.00 0.01 0.00 0.00 42.46 37.30 2wmk s ILE 515 CO 0.48 0.13 1.22 -2.16 0.00 0.00 0.00 174.94 174.60 2wmk s PRO 516 N 1.28 4.48 0.06 2.79 0.04 -1.26 -4.67 135.00 137.73 2wmk s PRO 516 Ca 0.48 2.00 0.05 0.00 0.04 0.00 0.00 61.00 63.57 2wmk s PRO 516 Cb -0.20 -3.15 -0.03 0.00 0.04 0.00 0.00 34.50 31.16 2wmk s PRO 516 CO 0.23 -0.03 -0.13 0.08 0.04 0.00 0.00 177.00 177.19 2wmk s VAL 517 N -0.84 1.00 -0.04 -0.36 1.01 0.29 -1.95 120.40 119.50 2wmk s VAL 517 Ca 0.49 -1.22 0.05 0.00 0.00 0.00 0.00 61.98 61.30 2wmk s VAL 517 Cb -0.36 -0.97 -0.01 0.00 0.00 0.00 0.00 36.38 35.04 2wmk s VAL 517 CO 0.44 -0.23 -0.20 -0.63 0.00 0.00 0.00 175.10 174.48 2wmk s ILE 518 N -1.24 1.68 -0.13 2.22 1.01 0.11 -1.05 121.20 123.81 2wmk s ILE 518 Ca -0.03 -0.87 -0.05 0.00 0.00 0.00 0.00 60.65 59.70 2wmk s ILE 518 Cb -0.10 -1.43 -0.04 0.00 0.01 0.00 0.00 42.46 40.91 2wmk s ILE 518 CO 0.02 0.48 0.06 -0.76 0.00 0.00 0.00 174.94 174.73 2wmk s LEU 519 N -0.11 3.86 -0.32 2.97 1.43 -1.02 -1.05 118.68 124.44 2wmk s LEU 519 Ca -0.02 0.21 -0.28 0.00 -1.03 0.00 0.00 54.13 53.01 2wmk s LEU 519 Cb -0.12 -1.93 0.02 0.00 0.03 0.00 0.00 46.19 44.19 2wmk s LEU 519 CO 0.02 0.32 1.03 -0.89 0.23 0.00 0.00 176.35 177.06 2wmk s THR 520 N -0.51 4.54 -0.33 5.49 2.01 -0.52 -0.46 115.64 125.87 2wmk s THR 520 Ca 0.10 1.62 0.07 0.00 0.31 0.00 0.00 61.69 63.79 2wmk s THR 520 Cb -0.12 -4.38 -0.08 0.00 0.01 0.00 0.00 72.50 67.93 2wmk s THR 520 CO 0.02 -0.47 0.31 1.33 -0.69 0.00 0.00 174.62 175.12 2wmk n VAL 521 N 5.85 0.00 -3.67 3.82 0.24 0.43 -4.67 118.33 120.33 2wmk n VAL 521 Ca 0.11 -0.32 -0.10 0.00 -2.04 0.00 0.00 64.34 61.98 2wmk n VAL 521 Cb 0.47 0.97 -0.11 0.00 -1.47 0.00 0.00 33.84 33.70 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 -1.73 -0.63 0.10 6.34 5.04 -1.16 -4.75 117.35 120.57 2wmk s TYR 522 Ca 0.03 1.28 -0.23 0.00 -2.44 0.00 0.00 57.07 55.71 2wmk s TYR 522 Cb 0.06 0.19 0.06 0.00 0.35 0.00 0.00 41.96 42.62 2wmk s TYR 522 CO 0.30 -0.40 0.56 -0.08 -1.34 0.00 0.00 175.55 174.60 2wmk s THR 523 N 2.18 0.02 -1.59 4.34 -1.32 -1.26 -1.47 115.64 116.54 2wmk s THR 523 Ca -0.03 -0.13 -0.12 0.00 -1.21 0.00 0.00 61.69 60.19 2wmk s THR 523 Cb -0.11 -1.02 0.10 0.00 -1.51 0.00 0.00 72.50 69.96 2wmk s THR 523 CO -0.11 -0.07 0.70 0.00 -2.21 0.00 0.00 174.62 172.92 2wmk n ALA 524 N -0.03 -1.50 -0.99 11.08 0.00 -1.20 -0.34 120.51 127.53 2wmk n ALA 524 Ca -0.17 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.21 2wmk n ALA 524 Cb 0.63 -3.01 0.00 0.00 0.00 0.00 0.00 19.45 17.07 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 -1.63 0.07 2.76 0.00 0.00 -1.24 -2.51 105.19 102.64 2wmk n GLY 525 Ca -0.05 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.84 -3.42 -4.74 1.61 5.03 0.54 -4.74 115.26 108.70 2wmk n ASN 526 Ca 0.00 0.04 -0.42 0.00 0.87 0.00 0.00 54.58 55.08 2wmk n ASN 526 Cb 0.42 -2.90 -0.02 0.00 -1.02 0.00 0.00 39.78 36.26 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 -5.35 4.24 0.22 3.52 -1.94 -1.05 -4.43 119.30 114.52 2wmk s MET 527 Ca 0.13 2.34 0.19 0.00 -1.71 0.00 0.00 55.69 56.65 2wmk s MET 527 Cb -0.07 -3.12 0.90 0.00 2.01 0.00 0.00 34.83 34.56 2wmk s MET 527 CO 0.16 -0.49 1.59 -0.35 -0.01 0.00 0.00 175.02 175.92 2wmk n PRO 528 N 2.79 0.13 -0.01 2.03 -0.04 -1.26 -0.82 135.00 137.82 2wmk n PRO 528 Ca 0.09 0.49 0.13 0.00 -0.04 0.00 0.00 63.50 64.16 2wmk n PRO 528 Cb 0.39 -1.82 0.33 0.00 -0.04 0.00 0.00 33.50 32.36 2wmk n PRO 528 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 2wmk n TYR 529 N -2.08 0.02 -0.02 0.54 0.18 -1.26 -4.41 117.16 110.13 2wmk n TYR 529 Ca 0.01 -0.01 -0.03 0.00 1.88 0.00 0.00 57.90 59.75 2wmk n TYR 529 Cb 0.13 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.06 2wmk n TYR 529 CO 0.00 0.00 0.00 0.66 -2.08 0.00 0.00 176.86 175.44 2wmk n TYR 530 N 0.73 0.00 -3.72 -3.48 4.01 0.00 -5.10 117.16 109.60 2wmk n TYR 530 Ca 0.17 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.77 2wmk n TYR 530 Cb 0.47 -0.21 -0.09 0.00 -0.31 0.00 0.00 39.34 39.19 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 -2.10 0.01 -0.07 -0.72 -1.32 -0.77 -5.00 115.64 105.66 2wmk s THR 531 Ca -0.04 -0.05 0.28 0.00 -1.21 0.00 0.00 61.69 60.67 2wmk s THR 531 Cb 0.01 -0.64 0.28 0.00 -1.51 0.00 0.00 72.50 70.65 2wmk s THR 531 CO 0.16 -0.03 1.84 0.77 -2.21 0.00 0.00 174.62 175.15 2wmk h SER 532 N 5.16 0.00 0.62 8.08 4.64 -1.78 -2.75 113.55 127.53 2wmk h SER 532 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 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 0.25 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.21 2wmk h ALA 533 N 2.06 1.00 -1.02 5.18 0.00 -1.93 -2.55 119.26 122.01 2wmk h ALA 533 Ca 0.00 0.00 0.25 0.00 0.00 0.00 0.00 54.91 55.16 2wmk h ALA 533 Cb 0.14 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 17.82 2wmk h ALA 533 CO 0.00 0.00 0.63 1.25 0.00 0.00 0.00 179.25 181.13 2wmk h HIS 534 N 0.00 0.86 -0.99 0.00 6.17 -1.70 -2.58 115.15 116.92 2wmk h HIS 534 Ca 0.00 0.03 -0.64 0.00 0.71 0.00 0.00 60.37 60.47 2wmk h HIS 534 Cb 0.31 -0.25 -0.29 0.00 2.52 0.00 0.00 27.41 29.70 2wmk h HIS 534 CO 0.00 0.08 0.83 0.91 0.71 0.00 0.00 177.93 180.46 2wmk n TRP 535 N -4.76 3.17 -3.94 5.26 8.01 -0.96 -4.74 117.44 119.48 2wmk n TRP 535 Ca 0.26 -2.81 -0.33 0.00 -1.31 0.00 0.00 57.50 53.31 2wmk n TRP 535 Cb 0.79 -1.36 -0.14 0.00 -2.01 0.00 0.00 31.31 28.59 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 -3.68 4.53 0.65 -0.99 1.43 -0.97 -4.55 118.68 115.09 2wmk s LEU 536 Ca 0.63 -1.83 -0.11 0.00 -1.03 0.00 0.00 54.13 51.78 2wmk s LEU 536 Cb 0.50 -1.69 -0.02 0.00 0.03 0.00 0.00 46.19 45.01 2wmk s LEU 536 CO 0.01 -0.37 1.04 -0.94 0.23 0.00 0.00 176.35 176.32 2wmk s SER 537 N 1.26 5.91 0.30 2.29 1.04 -1.26 -4.92 113.70 118.32 2wmk s SER 537 Ca 0.04 1.47 0.05 0.00 0.48 0.00 0.00 55.95 57.99 2wmk s SER 537 Cb -0.20 -2.45 0.48 0.00 0.10 0.00 0.00 66.02 63.94 2wmk s SER 537 CO -0.05 -1.08 1.75 0.74 0.98 0.00 0.00 173.24 175.57 2wmk h THR 538 N -0.47 1.26 -0.13 2.02 2.02 -1.99 -0.94 112.91 114.69 2wmk h THR 538 Ca -0.44 -1.25 0.02 0.00 0.77 0.00 0.00 66.41 65.51 2wmk h THR 538 Cb 1.20 1.41 -0.02 0.00 -1.74 0.00 0.00 68.15 68.99 2wmk h THR 538 CO 0.60 0.39 -0.02 -1.28 0.37 0.00 0.00 175.52 175.59 2wmk h SER 539 N 0.34 -0.09 -0.58 4.18 0.87 -1.99 0.50 113.55 116.78 2wmk h SER 539 Ca 0.05 0.03 0.02 0.00 -1.23 0.00 0.00 61.79 60.67 2wmk h SER 539 Cb 0.66 0.07 -0.04 0.00 -0.44 0.00 0.00 62.40 62.65 2wmk h SER 539 CO 0.05 -0.03 0.36 -0.25 -0.53 0.00 0.00 176.83 176.43 2wmk h TRP 540 N 0.02 0.67 -0.47 2.24 7.01 -1.79 -1.85 115.95 121.79 2wmk h TRP 540 Ca 0.06 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.08 2wmk h TRP 540 Cb 0.08 -0.22 -0.02 0.00 -2.10 0.00 0.00 29.16 26.90 2wmk h TRP 540 CO -0.16 0.39 0.31 0.82 -2.79 0.00 0.00 178.44 177.01 2wmk h ILE 541 N 0.71 1.12 -0.56 2.65 2.04 -0.84 -0.44 117.51 122.19 2wmk h ILE 541 Ca 0.23 -0.22 0.07 0.00 1.00 0.00 0.00 64.86 65.94 2wmk h ILE 541 Cb 0.00 0.43 -0.06 0.00 -0.74 0.00 0.00 36.82 36.46 2wmk h ILE 541 CO -0.09 0.12 0.25 -0.78 0.00 0.00 0.00 178.15 177.64 2wmk h ASP 542 N 0.63 0.31 -0.86 1.72 3.58 -0.71 -0.27 116.42 120.83 2wmk h ASP 542 Ca 0.17 0.05 -0.00 0.00 0.42 0.00 0.00 57.03 57.67 2wmk h ASP 542 Cb -0.07 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 40.94 2wmk h ASP 542 CO -0.04 0.21 0.53 0.50 -2.88 0.00 0.00 179.24 177.56 2wmk h LYS 543 N 0.47 1.16 -0.30 0.28 3.64 -0.79 -1.26 116.57 119.77 2wmk h LYS 543 Ca 0.26 -0.10 -0.05 0.00 -1.27 0.00 0.00 60.65 59.49 2wmk h LYS 543 Cb 0.24 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 2wmk h LYS 543 CO -0.22 0.81 -0.00 0.52 -2.27 0.00 0.00 179.45 178.28 2wmk h MET 544 N 1.18 0.54 -0.58 1.90 2.86 -0.57 -1.06 114.93 119.20 2wmk h MET 544 Ca 0.31 -0.17 0.06 0.00 -2.06 0.00 0.00 59.70 57.83 2wmk h MET 544 Cb -0.06 -0.05 -0.05 0.00 0.06 0.00 0.00 31.60 31.50 2wmk h MET 544 CO -0.06 0.68 0.30 1.88 1.06 0.00 0.00 176.91 180.77 2wmk h TYR 545 N 0.33 0.54 -0.17 -0.22 0.99 -0.80 -0.34 116.97 117.31 2wmk h TYR 545 Ca 0.09 0.02 -0.09 0.00 2.00 0.00 0.00 58.73 60.75 2wmk h TYR 545 Cb 0.44 -0.16 -0.01 0.00 1.00 0.00 0.00 36.73 38.00 2wmk h TYR 545 CO 0.04 0.25 -0.29 1.96 -0.00 0.00 0.00 178.16 180.12 2wmk h GLN 546 N 0.56 0.32 0.02 4.88 4.20 -1.08 -3.17 115.11 120.84 2wmk h GLN 546 Ca 0.26 -0.12 -0.22 0.00 0.06 0.00 0.00 58.65 58.62 2wmk h GLN 546 Cb 0.18 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.92 2wmk h GLN 546 CO -0.18 0.59 -1.08 -0.22 -0.67 0.00 0.00 178.83 177.27 2wmk h LYS 547 N 0.29 0.04 -4.36 1.46 3.64 -0.84 -3.44 116.57 113.36 2wmk h LYS 547 Ca 0.04 -0.07 -0.64 0.00 -1.27 0.00 0.00 60.65 58.71 2wmk h LYS 547 Cb 0.66 0.03 -0.40 0.00 -0.41 0.00 0.00 32.23 32.11 2wmk h LYS 547 CO 0.05 1.00 -0.73 0.71 -2.27 0.00 0.00 179.45 178.22 2wmk s TYR 548 N -2.70 3.22 0.58 1.91 2.02 -0.17 -4.96 117.35 117.26 2wmk s TYR 548 Ca -0.00 -2.69 0.33 0.00 -0.37 0.00 0.00 57.07 54.34 2wmk s TYR 548 Cb 0.09 -2.61 1.92 0.00 -0.40 0.00 0.00 41.96 40.96 2wmk s TYR 548 CO 0.83 -0.93 2.26 -1.35 -1.57 0.00 0.00 175.55 174.79 2wmk h PRO 549 N 7.70 0.00 0.00 -1.71 0.11 -1.86 -1.41 132.00 134.82 2wmk h PRO 549 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 2wmk h PRO 549 Cb 1.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.12 2wmk h PRO 549 CO 0.51 0.02 0.00 0.27 -0.21 0.00 0.00 178.00 178.59 2wmk n ASN 550 N -3.62 0.00 -4.55 -2.05 6.94 -1.26 -4.57 115.26 106.15 2wmk n ASN 550 Ca -0.03 -0.45 -0.43 0.00 -0.02 0.00 0.00 54.58 53.66 2wmk n ASN 550 Cb 0.10 -0.16 -0.03 0.00 -2.36 0.00 0.00 39.78 37.33 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 -2.33 3.80 0.01 -4.53 2.96 -0.53 -0.55 118.68 117.51 2wmk s LEU 551 Ca 0.33 -0.12 0.22 0.00 -0.22 0.00 0.00 54.13 54.34 2wmk s LEU 551 Cb 0.19 -3.00 -0.17 0.00 0.50 0.00 0.00 46.19 43.71 2wmk s LEU 551 CO 0.38 -1.34 0.79 1.41 -1.32 0.00 0.00 176.35 176.28 2wmk n HIS 552 N 7.89 0.12 -3.77 5.38 8.25 -0.21 -4.88 115.22 128.00 2wmk n HIS 552 Ca 0.05 0.03 0.01 0.00 -0.26 0.00 0.00 57.72 57.56 2wmk n HIS 552 Cb 0.48 -0.35 0.00 0.00 1.12 0.00 0.00 29.99 31.24 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 -3.80 -0.27 0.09 -1.41 0.00 -1.23 -1.67 107.32 99.04 2wmk s GLY 553 Ca 0.01 0.36 0.04 0.00 0.00 0.00 0.00 44.72 45.13 2wmk s GLY 553 CO 0.86 2.07 -0.12 -0.26 0.00 0.00 0.00 173.10 175.66 2wmk s ILE 554 N -2.32 1.05 -0.06 0.90 -4.36 -0.11 -2.45 121.20 113.86 2wmk s ILE 554 Ca 0.20 -1.56 0.02 0.00 -0.26 0.00 0.00 60.65 59.05 2wmk s ILE 554 Cb 0.02 -1.30 0.01 0.00 1.25 0.00 0.00 42.46 42.45 2wmk s ILE 554 CO -0.02 -0.44 -0.11 0.12 0.24 0.00 0.00 174.94 174.73 2wmk s PHE 555 N -2.06 1.30 -0.07 1.37 5.36 0.39 -0.56 117.98 123.71 2wmk s PHE 555 Ca 0.04 -0.46 0.02 0.00 -0.96 0.00 0.00 56.93 55.57 2wmk s PHE 555 Cb -0.05 -0.97 -0.03 0.00 -0.34 0.00 0.00 43.02 41.63 2wmk s PHE 555 CO 0.01 -0.25 -0.10 0.45 -1.46 0.00 0.00 175.22 173.87 2wmk s SER 556 N 0.68 4.35 -0.10 6.13 0.15 0.31 -0.43 113.70 124.79 2wmk s SER 556 Ca -0.13 -0.13 -0.07 0.00 0.70 0.00 0.00 55.95 56.32 2wmk s SER 556 Cb -0.15 -1.12 0.03 0.00 -1.71 0.00 0.00 66.02 63.07 2wmk s SER 556 CO 0.03 0.33 0.25 0.28 1.20 0.00 0.00 173.24 175.33 2wmk s THR 557 N -0.60 -0.01 -0.82 6.45 -1.32 -0.54 -0.74 115.64 118.06 2wmk s THR 557 Ca 0.09 0.05 -0.03 0.00 -1.21 0.00 0.00 61.69 60.59 2wmk s THR 557 Cb -0.11 -0.37 -0.03 0.00 -1.51 0.00 0.00 72.50 70.47 2wmk s THR 557 CO 0.02 0.02 0.70 0.00 -2.21 0.00 0.00 174.62 173.15 2wmk n ALA 558 N 3.43 -1.82 0.89 11.08 0.00 -0.54 -3.80 120.51 129.74 2wmk n ALA 558 Ca -0.17 0.05 0.10 0.00 0.00 0.00 0.00 53.44 53.42 2wmk n ALA 558 Cb 0.56 -3.62 -0.01 0.00 0.00 0.00 0.00 19.45 16.38 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 -2.72 1.86 -0.20 0.00 3.02 -1.26 -3.23 115.26 112.73 2wmk n ASN 559 Ca -0.11 -1.43 0.19 0.00 -0.03 0.00 0.00 54.58 53.20 2wmk n ASN 559 Cb 0.60 0.49 0.54 0.00 -0.61 0.00 0.00 39.78 40.80 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 2.15 0.45 -0.01 3.10 -0.00 -1.91 0.24 116.97 120.99 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 0.68 -0.14 0.00 0.00 0.00 0.00 0.00 36.73 37.27 2wmk h TYR 560 CO 0.00 0.13 -0.13 -2.67 -0.00 0.00 0.00 178.16 175.49 2wmk n TRP 561 N -4.47 0.00 -2.94 0.10 4.27 -1.26 -4.43 117.44 108.71 2wmk n TRP 561 Ca 0.17 0.00 -0.13 0.00 -3.89 0.00 0.00 57.50 53.66 2wmk n TRP 561 Cb 0.68 -0.07 -0.01 0.00 -1.36 0.00 0.00 31.31 30.54 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 -0.34 -0.33 -2.76 -1.67 0.13 0.06 -5.08 119.36 109.38 2wmk n ILE 562 Ca 0.15 -2.11 -0.43 0.00 -1.10 0.00 0.00 62.75 59.26 2wmk n ILE 562 Cb 0.34 0.21 -0.00 0.00 -0.84 0.00 0.00 39.64 39.34 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 0.31 3.09 0.65 9.51 -0.11 -1.18 -3.71 118.94 127.51 2wmk s TRP 563 Ca 0.32 -1.76 -0.18 0.00 1.22 0.00 0.00 56.10 55.70 2wmk s TRP 563 Cb 0.12 -4.53 -0.02 0.00 -1.50 0.00 0.00 33.47 27.54 2wmk s TRP 563 CO -0.15 -1.62 1.18 0.00 -4.62 0.00 0.00 176.95 171.74 2wmk n ALA 564 N 7.12 0.75 -0.34 5.86 0.00 -1.26 -4.91 120.51 127.72 2wmk n ALA 564 Ca 0.40 -0.03 0.21 0.00 0.00 0.00 0.00 53.44 54.03 2wmk n ALA 564 Cb 0.45 -2.25 0.47 0.00 0.00 0.00 0.00 19.45 18.12 2wmk n ALA 564 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2wmk h ASN 565 N 0.39 0.53 -0.20 0.00 2.35 -1.93 -1.96 115.58 114.76 2wmk h ASN 565 Ca -0.50 0.11 -0.10 0.00 -0.55 0.00 0.00 56.30 55.26 2wmk h ASN 565 Cb 1.35 0.03 -0.06 0.00 0.05 0.00 0.00 38.32 39.68 2wmk h ASN 565 CO 0.52 0.07 -0.24 -0.90 -1.65 0.00 0.00 177.43 175.23 2wmk n ASP 566 N -4.74 2.19 -0.29 5.81 5.75 -1.26 -4.77 116.55 119.24 2wmk n ASP 566 Ca 0.27 -3.80 -0.01 0.00 -0.01 0.00 0.00 54.79 51.24 2wmk n ASP 566 Cb 0.86 -0.59 0.11 0.00 -1.03 0.00 0.00 41.12 40.47 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 0.99 1.09 -0.39 2.12 2.10 -1.71 -1.47 117.51 120.24 2wmk h ILE 567 Ca 0.12 -0.33 -0.15 0.00 1.08 0.00 0.00 64.86 65.58 2wmk h ILE 567 Cb 1.38 0.04 -0.01 0.00 -1.09 0.00 0.00 36.82 37.14 2wmk h ILE 567 CO 0.22 0.18 -0.34 -0.33 -1.08 0.00 0.00 178.15 176.80 2wmk h GLU 568 N 0.97 0.90 -0.79 2.19 3.07 -1.86 -0.86 114.58 118.20 2wmk h GLU 568 Ca 0.33 -0.45 -0.02 0.00 -0.50 0.00 0.00 59.36 58.73 2wmk h GLU 568 Cb 0.07 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 27.95 2wmk h GLU 568 CO -0.14 1.10 0.42 -0.91 -1.40 0.00 0.00 179.01 178.09 2wmk h ASN 569 N 0.75 1.00 -0.07 1.42 2.35 -1.85 -1.77 115.58 117.40 2wmk h ASN 569 Ca 0.07 -0.11 -0.12 0.00 -0.55 0.00 0.00 56.30 55.59 2wmk h ASN 569 Cb 0.92 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 39.03 2wmk h ASN 569 CO 0.09 0.82 -0.35 0.11 -1.65 0.00 0.00 177.43 176.45 2wmk h LYS 570 N 1.10 0.57 -0.43 0.81 1.79 -1.11 -2.34 116.57 116.97 2wmk h LYS 570 Ca 0.28 -0.26 -0.12 0.00 -2.18 0.00 0.00 60.65 58.36 2wmk h LYS 570 Cb 0.05 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.68 2wmk h LYS 570 CO -0.04 0.84 -0.21 0.00 -1.08 0.00 0.00 179.45 178.95 2wmk h ALA 571 N 1.14 0.82 -0.64 3.86 0.00 -0.97 -0.30 119.26 123.17 2wmk h ALA 571 Ca 0.05 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2wmk h ALA 571 Cb 0.83 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 2wmk h ALA 571 CO 0.07 0.65 0.41 0.00 0.00 0.00 0.00 179.25 180.37 2wmk h ALA 572 N 1.01 0.81 -0.79 0.00 0.00 -1.19 0.01 119.26 119.11 2wmk h ALA 572 Ca 0.10 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 2wmk h ALA 572 Cb 0.75 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 2wmk h ALA 572 CO 0.06 0.26 0.30 -0.44 0.00 0.00 0.00 179.25 179.44 2wmk h ASP 573 N 0.87 1.10 -0.52 0.00 3.32 -0.84 -0.31 116.42 120.03 2wmk h ASP 573 Ca 0.23 -0.18 -0.08 0.00 0.02 0.00 0.00 57.03 57.03 2wmk h ASP 573 Cb -0.07 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.18 2wmk h ASP 573 CO -0.05 0.98 0.02 1.88 -1.72 0.00 0.00 179.24 180.36 2wmk h TYR 574 N 1.15 0.97 -0.49 4.55 0.05 -0.92 -0.90 116.97 121.38 2wmk h TYR 574 Ca 0.26 -0.16 -0.04 0.00 0.05 0.00 0.00 58.73 58.85 2wmk h TYR 574 Cb 0.23 -0.26 -0.02 0.00 1.01 0.00 0.00 36.73 37.70 2wmk h TYR 574 CO 0.02 0.89 0.16 1.25 -1.05 0.00 0.00 178.16 179.43 2wmk h LEU 575 N 0.76 0.71 -0.37 3.88 5.85 -0.72 -2.13 115.31 123.28 2wmk h LEU 575 Ca 0.15 -0.20 -0.04 0.00 0.84 0.00 0.00 57.88 58.63 2wmk h LEU 575 Cb 0.49 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 2wmk h LEU 575 CO 0.02 0.72 0.08 0.50 -0.34 0.00 0.00 178.44 179.43 2wmk h LYS 576 N 0.65 0.60 -0.15 1.25 3.64 -1.00 -0.46 116.57 121.11 2wmk h LYS 576 Ca 0.16 -0.15 -0.08 0.00 -1.27 0.00 0.00 60.65 59.31 2wmk h LYS 576 Cb 0.26 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 2wmk h LYS 576 CO -0.01 0.64 -0.25 -0.24 -2.27 0.00 0.00 179.45 177.33 2wmk h VAL 577 N 0.46 1.24 0.03 2.00 3.04 -1.16 0.16 116.25 122.02 2wmk h VAL 577 Ca 0.12 -1.13 -0.00 0.00 -1.01 0.00 0.00 66.70 64.67 2wmk h VAL 577 Cb 0.32 1.41 0.00 0.00 -2.01 0.00 0.00 31.29 31.00 2wmk h VAL 577 CO 0.00 0.35 -0.01 0.28 -1.01 0.00 0.00 177.57 177.17 2wmk h SER 578 N 0.24 -0.03 -0.98 3.17 0.02 -1.17 -3.01 113.55 111.79 2wmk h SER 578 Ca 0.04 -0.39 0.03 0.00 -0.84 0.00 0.00 61.79 60.63 2wmk h SER 578 Cb 0.58 0.01 -0.06 0.00 0.14 0.00 0.00 62.40 63.07 2wmk h SER 578 CO 0.04 0.37 0.64 0.00 -1.14 0.00 0.00 176.83 176.75 2wmk h ALA 579 N 0.50 1.28 -0.46 3.77 0.00 -0.77 -0.05 119.26 123.55 2wmk h ALA 579 Ca -0.00 -0.05 0.12 0.00 0.00 0.00 0.00 54.91 54.98 2wmk h ALA 579 Cb 0.42 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2wmk h ALA 579 CO 0.01 0.55 0.32 -0.22 0.00 0.00 0.00 179.25 179.92 2wmk h LYS 580 N 1.26 0.04 -0.09 0.00 3.64 -0.67 -2.68 116.57 118.07 2wmk h LYS 580 Ca 0.38 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.76 2wmk h LYS 580 Cb -0.04 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 2wmk h LYS 580 CO -0.11 0.03 0.00 0.09 -2.27 0.00 0.00 179.45 177.18 2wmk n ASN 581 N -4.41 2.18 -0.29 4.20 4.13 -0.44 -4.40 115.26 116.22 2wmk n ASN 581 Ca 0.08 -1.60 -0.04 0.00 1.68 0.00 0.00 54.58 54.70 2wmk n ASN 581 Cb 0.50 -0.06 -0.02 0.00 -1.54 0.00 0.00 39.78 38.67 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 0.61 0.67 4.00 7.41 0.00 -0.32 -4.81 105.19 112.75 2wmk n GLY 582 Ca 0.08 -0.49 -0.23 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.59 1.75 -0.06 -0.02 0.00 -0.18 -0.28 107.32 105.94 2wmk s GLY 583 Ca 0.00 -1.82 0.01 0.00 0.00 0.00 0.00 44.72 42.91 2wmk s GLY 583 CO 0.00 -1.26 -0.07 -0.19 0.00 0.00 0.00 173.10 171.58 2wmk s TYR 584 N -3.07 2.92 -0.25 1.90 2.02 -0.67 -4.05 117.35 116.15 2wmk s TYR 584 Ca 0.66 0.01 -0.16 0.00 -0.37 0.00 0.00 57.07 57.21 2wmk s TYR 584 Cb -0.05 -1.69 -0.04 0.00 -0.40 0.00 0.00 41.96 39.78 2wmk s TYR 584 CO 0.44 0.33 0.41 0.12 -1.57 0.00 0.00 175.55 175.28 2wmk s PHE 585 N -0.83 3.28 -0.16 2.71 5.36 -0.14 -0.94 117.98 127.27 2wmk s PHE 585 Ca 0.13 0.51 -0.02 0.00 -0.96 0.00 0.00 56.93 56.59 2wmk s PHE 585 Cb -0.11 -2.59 -0.01 0.00 -0.34 0.00 0.00 43.02 39.96 2wmk s PHE 585 CO 0.02 -0.18 -0.09 0.42 -1.46 0.00 0.00 175.22 173.93 2wmk s ILE 586 N 1.93 3.28 -0.20 3.12 1.01 0.28 -1.25 121.20 129.37 2wmk s ILE 586 Ca 0.17 -0.57 0.01 0.00 0.00 0.00 0.00 60.65 60.27 2wmk s ILE 586 Cb -0.15 -2.42 0.04 0.00 0.01 0.00 0.00 42.46 39.94 2wmk s ILE 586 CO 0.09 0.49 -0.12 0.86 0.00 0.00 0.00 174.94 176.27 2wmk s TRP 587 N 0.64 2.49 -0.32 3.97 -0.11 -0.50 -0.53 118.94 124.59 2wmk s TRP 587 Ca -0.05 -1.61 -0.12 0.00 1.22 0.00 0.00 56.10 55.54 2wmk s TRP 587 Cb -0.15 -1.69 -0.03 0.00 -1.50 0.00 0.00 33.47 30.11 2wmk s TRP 587 CO 0.03 -0.75 0.21 0.00 -4.62 0.00 0.00 176.95 171.82 2wmk s ALA 588 N 1.37 3.48 0.04 5.86 0.00 0.08 -0.59 121.76 132.00 2wmk s ALA 588 Ca -0.00 -1.30 -0.08 0.00 0.00 0.00 0.00 51.96 50.57 2wmk s ALA 588 Cb -0.16 -2.57 -0.00 0.00 0.00 0.00 0.00 23.12 20.39 2wmk s ALA 588 CO -0.09 -0.84 0.16 -2.00 0.00 0.00 0.00 175.76 172.99 2wmk s GLU 589 N 1.72 0.65 0.04 0.00 2.56 -0.06 -1.47 118.70 122.14 2wmk s GLU 589 Ca 0.06 -0.65 0.09 0.00 0.00 0.00 0.00 54.97 54.46 2wmk s GLU 589 Cb -0.17 0.26 -0.03 0.00 2.00 0.00 0.00 34.13 36.20 2wmk s GLU 589 CO 0.10 -0.18 -0.25 -1.14 -0.56 0.00 0.00 175.26 173.23 2wmk s GLN 590 N -2.50 1.89 0.00 4.30 2.00 -1.26 -2.96 119.66 121.12 2wmk s GLN 590 Ca -0.06 -1.07 0.00 0.00 -2.00 0.00 0.00 55.36 52.24 2wmk s GLN 590 Cb -0.01 -2.02 0.00 0.00 0.80 0.00 0.00 33.01 31.77 2wmk s GLN 590 CO -0.04 0.52 0.54 -1.71 -0.50 0.00 0.00 175.29 174.11 2wmk n ASN 591 N 1.83 1.61 -4.77 6.67 5.15 -1.26 -4.44 115.26 120.05 2wmk n ASN 591 Ca -0.17 -1.07 -0.38 0.00 -0.60 0.00 0.00 54.58 52.37 2wmk n ASN 591 Cb 0.52 -0.27 -0.01 0.00 -0.53 0.00 0.00 39.78 39.49 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 1.02 6.14 -1.26 1.20 -0.87 -1.26 -2.84 114.94 117.07 2wmk s ASN 592 Ca 0.00 2.39 -0.10 0.00 -1.57 0.00 0.00 52.86 53.58 2wmk s ASN 592 Cb 0.00 -2.61 0.08 0.00 -0.02 0.00 0.00 41.25 38.70 2wmk s ASN 592 CO 0.00 -0.94 0.47 0.61 -2.57 0.00 0.00 177.10 174.67 2wmk n GLY 593 N 0.52 -0.48 2.41 0.66 0.00 -1.26 -1.97 105.19 105.07 2wmk n GLY 593 Ca 0.07 0.08 -0.17 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.26 -5.01 -0.21 1.61 7.64 -1.13 -4.92 113.62 109.34 2wmk n SER 594 Ca -0.01 0.21 0.01 0.00 1.01 0.00 0.00 58.87 60.10 2wmk n SER 594 Cb 0.53 -4.05 0.12 0.00 -1.01 0.00 0.00 64.21 59.80 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 0.38 0.80 -0.34 -0.43 0.00 -1.52 -0.77 119.26 117.39 2wmk h ALA 595 Ca -0.37 0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.51 2wmk h ALA 595 Cb 1.19 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 2wmk h ALA 595 CO 0.49 -0.23 -0.31 0.82 0.00 0.00 0.00 179.25 180.02 2wmk h ILE 596 N 0.37 1.28 0.05 0.00 1.08 -1.86 -0.92 117.51 117.51 2wmk h ILE 596 Ca 0.33 -1.45 -0.00 0.00 -0.39 0.00 0.00 64.86 63.34 2wmk h ILE 596 Cb 0.44 1.36 0.00 0.00 -3.07 0.00 0.00 36.82 35.55 2wmk h ILE 596 CO -0.35 0.48 -0.02 -0.33 -0.69 0.00 0.00 178.15 177.23 2wmk h GLU 597 N 0.61 -0.07 -0.71 2.37 5.08 -1.75 -3.04 114.58 117.08 2wmk h GLU 597 Ca 0.07 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.52 2wmk h GLU 597 Cb 0.83 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 30.03 2wmk h GLU 597 CO 0.07 0.09 0.36 0.87 -1.00 0.00 0.00 179.01 179.41 2wmk h LYS 598 N -0.21 0.61 -0.97 2.33 1.57 -1.11 -2.14 116.57 116.64 2wmk h LYS 598 Ca -0.01 -0.04 0.23 0.00 -1.87 0.00 0.00 60.65 58.97 2wmk h LYS 598 Cb 0.19 -0.14 -0.08 0.00 0.08 0.00 0.00 32.23 32.29 2wmk h LYS 598 CO 0.01 0.40 0.64 0.00 -0.57 0.00 0.00 179.45 179.93 2wmk h ALA 599 N 1.41 2.26 -0.03 3.86 0.00 -1.05 -0.97 119.26 124.75 2wmk h ALA 599 Ca 0.34 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.28 2wmk h ALA 599 Cb 0.33 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2wmk h ALA 599 CO -0.25 -0.59 -0.12 1.19 0.00 0.00 0.00 179.25 179.47 2wmk n PHE 600 N -4.54 0.00 0.00 0.00 3.72 -0.96 -4.09 117.46 111.59 2wmk n PHE 600 Ca 0.22 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.62 2wmk n PHE 600 Cb 0.79 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.33 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 1.35 0.86 0.30 1.37 0.00 -0.37 -4.44 105.19 104.27 2wmk n GLY 601 Ca 0.13 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.19 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 0.00 0.01 -0.64 1.61 3.64 -1.51 0.02 116.57 119.70 2wmk h LYS 602 Ca 0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2wmk h LYS 602 Cb 0.00 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2wmk h LYS 602 CO 0.00 0.01 0.00 0.09 -2.27 0.00 0.00 179.45 177.28 2wmk n ASN 603 N -5.51 4.79 0.00 4.20 3.02 -1.26 -4.91 115.26 115.59 2wmk n ASN 603 Ca 0.12 -2.65 0.00 0.00 -0.03 0.00 0.00 54.58 52.02 2wmk n ASN 603 Cb 0.44 -0.62 0.00 0.00 -0.61 0.00 0.00 39.78 38.99 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 0.73 0.61 3.37 7.41 0.00 -0.01 -5.04 105.19 112.26 2wmk n GLY 604 Ca 0.24 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.84 3.16 0.00 1.61 -0.14 -1.26 -4.88 119.74 117.39 2wmk s LYS 605 Ca 0.00 -1.53 0.12 0.00 -1.36 0.00 0.00 55.97 53.19 2wmk s LYS 605 Cb 0.00 -4.35 0.30 0.00 -1.68 0.00 0.00 37.83 32.10 2wmk s LYS 605 CO 0.00 -1.52 1.22 0.44 -0.76 0.00 0.00 175.35 174.73 2wmk n ILE 606 N 5.33 0.83 -0.31 2.17 -5.35 -1.26 -3.64 119.36 117.13 2wmk n ILE 606 Ca -0.04 -0.91 -0.04 0.00 -0.27 0.00 0.00 62.75 61.48 2wmk n ILE 606 Cb 0.43 0.63 0.08 0.00 -1.74 0.00 0.00 39.64 39.04 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 2.29 1.06 -0.21 -1.28 0.00 -1.90 -1.83 119.26 117.40 2wmk h ALA 607 Ca 0.00 -0.10 -0.20 0.00 0.00 0.00 0.00 54.91 54.61 2wmk h ALA 607 Cb 0.72 -0.34 0.01 0.00 0.00 0.00 0.00 17.79 18.18 2wmk h ALA 607 CO 0.00 0.53 -0.67 0.35 0.00 0.00 0.00 179.25 179.46 2wmk h PHE 608 N 1.15 1.07 -0.78 0.00 3.57 -1.79 -0.88 116.94 119.28 2wmk h PHE 608 Ca 0.30 -0.44 0.17 0.00 3.53 0.00 0.00 57.97 61.53 2wmk h PHE 608 Cb -0.04 -0.18 -0.11 0.00 2.79 0.00 0.00 35.95 38.42 2wmk h PHE 608 CO -0.00 1.27 0.27 0.37 -2.23 0.00 0.00 178.31 177.98 2wmk h GLN 609 N 0.57 0.35 0.00 1.11 4.15 -1.62 -0.28 115.11 119.39 2wmk h GLN 609 Ca -0.03 -0.02 -0.19 0.00 0.77 0.00 0.00 58.65 59.19 2wmk h GLN 609 Cb 1.29 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.89 2wmk h GLN 609 CO 0.14 0.23 -0.84 0.87 -1.93 0.00 0.00 178.83 177.30 2wmk h LYS 610 N 0.36 0.12 -0.05 1.69 1.57 -1.15 -2.17 116.57 116.94 2wmk h LYS 610 Ca 0.45 -0.13 -0.00 0.00 -1.87 0.00 0.00 60.65 59.10 2wmk h LYS 610 Cb 0.76 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 33.11 2wmk h LYS 610 CO -0.48 0.89 0.03 1.03 -0.57 0.00 0.00 179.45 180.35 2wmk h SER 611 N 0.07 0.06 -0.90 0.86 0.87 -0.42 -2.99 113.55 111.10 2wmk h SER 611 Ca -0.03 -0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 60.47 2wmk h SER 611 Cb 1.46 -0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 63.36 2wmk h SER 611 CO 0.12 0.10 0.56 0.58 -0.53 0.00 0.00 176.83 177.67 2wmk h VAL 612 N 0.02 1.24 -1.02 2.23 2.07 -1.00 0.23 116.25 120.02 2wmk h VAL 612 Ca 0.02 -0.50 0.25 0.00 0.82 0.00 0.00 66.70 67.29 2wmk h VAL 612 Cb 0.05 -0.05 -0.11 0.00 -1.52 0.00 0.00 31.29 29.65 2wmk h VAL 612 CO -0.00 0.25 0.62 0.44 0.02 0.00 0.00 177.57 178.90 2wmk h ASP 613 N 1.24 0.60 0.11 0.57 3.32 -1.24 -1.55 116.42 119.47 2wmk h ASP 613 Ca 0.33 0.12 -0.32 0.00 0.02 0.00 0.00 57.03 57.17 2wmk h ASP 613 Cb -0.08 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 2wmk h ASP 613 CO -0.06 0.11 -1.71 0.11 -1.72 0.00 0.00 179.24 175.96 2wmk h LYS 614 N 0.52 0.24 0.00 3.56 1.57 -1.16 -3.43 116.57 117.88 2wmk h LYS 614 Ca 0.63 -0.41 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 2wmk h LYS 614 Cb 1.31 0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.78 2wmk h LYS 614 CO -0.41 1.20 -0.00 0.66 -0.57 0.00 0.00 179.45 180.32 2wmk n TYR 615 N -3.75 0.00 0.15 -1.35 4.01 0.67 -4.78 117.16 112.11 2wmk n TYR 615 Ca -0.29 -0.89 0.17 0.00 -0.16 0.00 0.00 57.90 56.72 2wmk n TYR 615 Cb 0.96 -0.13 0.76 0.00 -0.31 0.00 0.00 39.34 40.62 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 0.00 0.00 0.00 -0.72 5.08 -1.49 -0.01 115.95 118.81 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 0.91 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.07 2wmk h TRP 616 CO 0.00 0.00 0.00 1.63 -1.28 0.00 0.00 178.44 178.79 2wmk n LYS 617 N -4.06 0.16 -0.40 0.12 5.02 -1.26 -1.76 118.16 115.99 2wmk n LYS 617 Ca 0.04 0.58 0.08 0.00 -2.02 0.00 0.00 58.31 56.98 2wmk n LYS 617 Cb 0.39 -1.94 0.25 0.00 -0.02 0.00 0.00 35.03 33.71 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 -2.26 3.80 -4.58 4.39 3.02 -0.02 -4.72 115.26 114.90 2wmk n ASN 618 Ca -0.00 -2.45 -0.34 0.00 -0.03 0.00 0.00 54.58 51.75 2wmk n ASN 618 Cb 0.09 -0.44 -0.11 0.00 -0.61 0.00 0.00 39.78 38.72 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 -1.82 3.32 -0.12 3.41 2.96 -0.72 -0.96 118.68 124.75 2wmk s LEU 619 Ca 0.38 -0.01 0.03 0.00 -0.22 0.00 0.00 54.13 54.30 2wmk s LEU 619 Cb 0.25 -1.76 0.01 0.00 0.50 0.00 0.00 46.19 45.19 2wmk s LEU 619 CO 0.17 0.30 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.66 2wmk s ILE 620 N -0.40 1.84 -0.13 6.68 -1.09 -0.38 -0.71 121.20 127.01 2wmk s ILE 620 Ca 0.07 -0.86 -0.00 0.00 -2.23 0.00 0.00 60.65 57.62 2wmk s ILE 620 Cb -0.12 -1.63 -0.02 0.00 -1.58 0.00 0.00 42.46 39.11 2wmk s ILE 620 CO 0.02 0.51 -0.13 0.12 -1.23 0.00 0.00 174.94 174.24 2wmk s PHE 621 N 0.73 2.82 0.07 3.97 5.99 -1.10 -1.41 117.98 129.05 2wmk s PHE 621 Ca -0.11 -0.58 0.06 0.00 0.00 0.00 0.00 56.93 56.30 2wmk s PHE 621 Cb -0.16 -1.83 -0.03 0.00 0.00 0.00 0.00 43.02 41.00 2wmk s PHE 621 CO 0.01 -0.17 -0.16 -1.64 -0.00 0.00 0.00 175.22 173.27 2wmk s MET 622 N 0.26 0.91 0.86 10.12 -1.94 0.24 -1.82 119.30 127.94 2wmk s MET 622 Ca -0.09 -0.96 -0.12 0.00 -1.71 0.00 0.00 55.69 52.82 2wmk s MET 622 Cb -0.15 -0.98 0.11 0.00 2.01 0.00 0.00 34.83 35.82 2wmk s MET 622 CO 0.05 0.22 1.11 -0.59 -0.01 0.00 0.00 175.02 175.81 2wmk s PHE 623 N -1.16 2.60 -0.34 -0.03 -0.12 -0.74 -0.88 117.98 117.32 2wmk s PHE 623 Ca 0.01 1.05 0.01 0.00 -0.05 0.00 0.00 56.93 57.94 2wmk s PHE 623 Cb -0.10 -3.23 0.14 0.00 -0.63 0.00 0.00 43.02 39.21 2wmk s PHE 623 CO 0.02 -2.14 0.28 0.21 -0.05 0.00 0.00 175.22 173.54 2wmk s LYS 624 N -5.15 0.48 -0.00 1.99 2.47 -1.16 -0.20 119.74 118.17 2wmk s LYS 624 Ca 0.62 -0.78 0.06 0.00 -1.56 0.00 0.00 55.97 54.31 2wmk s LYS 624 Cb -0.15 -0.92 0.17 0.00 -1.46 0.00 0.00 37.83 35.47 2wmk s LYS 624 CO 0.55 -1.14 1.13 0.27 0.16 0.00 0.00 175.35 176.32 2wmk n ASN 625 N 4.56 1.06 -0.30 1.43 0.23 -0.69 -4.35 115.26 117.21 2wmk n ASN 625 Ca 0.06 -2.01 0.03 0.00 -0.53 0.00 0.00 54.58 52.13 2wmk n ASN 625 Cb 0.43 -0.14 0.10 0.00 -2.08 0.00 0.00 39.78 38.09 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 1.12 0.14 -0.30 5.53 2.02 -1.84 -3.32 112.91 116.27 2wmk h THR 626 Ca 0.00 0.00 -0.70 0.00 0.77 0.00 0.00 66.41 66.48 2wmk h THR 626 Cb 0.27 0.14 -0.04 0.00 -1.74 0.00 0.00 68.15 66.79 2wmk h THR 626 CO 0.00 0.00 3.22 -0.81 0.37 0.00 0.00 175.52 178.30 2wmk n PRO 627 N -5.54 3.50 0.23 6.66 -0.04 -1.26 -4.17 135.00 134.38 2wmk n PRO 627 Ca 0.12 -2.65 0.12 0.00 -0.04 0.00 0.00 63.50 61.05 2wmk n PRO 627 Cb 0.43 -2.97 0.48 0.00 -0.04 0.00 0.00 33.50 31.39 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 5.40 1.00 0.00 0.55 0.00 -1.86 -2.45 119.26 121.89 2wmk h ALA 628 Ca 0.69 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.44 2wmk h ALA 628 Cb 0.45 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 2wmk h ALA 628 CO 1.77 0.19 -0.10 0.00 0.00 0.00 0.00 179.25 181.11 2wmk h ALA 629 N 1.85 1.24 0.00 0.00 0.00 -1.84 -2.66 119.26 117.86 2wmk h ALA 629 Ca -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2wmk h ALA 629 Cb 0.73 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2wmk h ALA 629 CO 0.02 0.12 -0.38 0.39 0.00 0.00 0.00 179.25 179.40 2wmk n GLU 630 N -3.55 0.07 -1.91 0.00 4.71 -0.92 -4.91 120.64 114.12 2wmk n GLU 630 Ca -0.02 0.03 -0.09 0.00 -0.01 0.00 0.00 57.16 57.07 2wmk n GLU 630 Cb 0.23 -1.55 -0.01 0.00 -1.01 0.00 0.00 31.44 29.10 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 1.46 0.31 1.72 0.62 0.00 -1.00 -4.75 105.19 103.54 2wmk n GLY 631 Ca 0.05 -0.53 0.06 0.00 0.00 0.00 0.00 46.02 45.60 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 0.31 5.11 0.04 1.61 5.03 -1.26 -3.65 115.26 122.45 2wmk n ASN 632 Ca -0.11 -2.82 -0.11 0.00 0.87 0.00 0.00 54.58 52.41 2wmk n ASN 632 Cb 0.50 -0.67 -0.06 0.00 -1.02 0.00 0.00 39.78 38.54 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 3.44 -0.15 -0.22 6.41 3.45 -1.88 -1.67 116.42 125.79 2wmk h ASP 633 Ca 0.01 0.03 -0.19 0.00 0.43 0.00 0.00 57.03 57.30 2wmk h ASP 633 Cb 1.80 0.07 0.00 0.00 -0.56 0.00 0.00 39.33 40.65 2wmk h ASP 633 CO 0.44 -0.08 -0.60 0.77 -1.57 0.00 0.00 179.24 178.20 2wmk h SER 634 N -0.09 0.91 -0.10 6.45 4.64 -1.86 -1.24 113.55 122.27 2wmk h SER 634 Ca 0.03 -0.57 -0.16 0.00 -0.47 0.00 0.00 61.79 60.61 2wmk h SER 634 Cb 0.12 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 61.94 2wmk h SER 634 CO -0.06 1.32 -0.50 0.71 -0.87 0.00 0.00 176.83 177.43 2wmk h THR 635 N 0.55 1.30 -0.19 2.95 1.35 -1.88 -0.36 112.91 116.64 2wmk h THR 635 Ca -0.01 -1.71 -0.01 0.00 -0.55 0.00 0.00 66.41 64.13 2wmk h THR 635 Cb 1.22 1.65 -0.01 0.00 -1.73 0.00 0.00 68.15 69.28 2wmk h THR 635 CO 0.13 0.54 0.07 0.74 -0.25 0.00 0.00 175.52 176.75 2wmk h THR 636 N 0.52 1.16 -0.59 6.82 2.02 -1.22 -2.00 112.91 119.63 2wmk h THR 636 Ca 0.02 -0.50 -0.06 0.00 0.77 0.00 0.00 66.41 66.64 2wmk h THR 636 Cb 1.05 1.14 -0.03 0.00 -1.74 0.00 0.00 68.15 68.58 2wmk h THR 636 CO 0.10 0.16 0.12 -0.08 0.37 0.00 0.00 175.52 176.19 2wmk h GLU 637 N 0.15 0.93 -0.32 6.66 4.81 -1.13 -0.43 114.58 125.25 2wmk h GLU 637 Ca 0.06 -0.21 0.06 0.00 -0.13 0.00 0.00 59.36 59.14 2wmk h GLU 637 Cb 0.18 -0.13 -0.06 0.00 0.63 0.00 0.00 28.75 29.37 2wmk h GLU 637 CO -0.00 0.85 -0.07 1.03 -0.73 0.00 0.00 179.01 180.08 2wmk h SER 638 N 0.89 -0.28 -0.38 1.04 0.87 -0.96 -0.67 113.55 114.06 2wmk h SER 638 Ca 0.19 0.09 -0.01 0.00 -1.23 0.00 0.00 61.79 60.83 2wmk h SER 638 Cb 0.36 0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.49 2wmk h SER 638 CO 0.00 -0.10 0.19 1.88 -0.53 0.00 0.00 176.83 178.27 2wmk h TYR 639 N 0.01 0.54 -0.27 2.24 0.05 -0.97 -0.49 116.97 118.07 2wmk h TYR 639 Ca 0.15 -0.02 0.06 0.00 0.05 0.00 0.00 58.73 58.97 2wmk h TYR 639 Cb 0.23 -0.17 -0.06 0.00 1.01 0.00 0.00 36.73 37.74 2wmk h TYR 639 CO -0.29 0.45 -0.11 0.52 -1.05 0.00 0.00 178.16 177.67 2wmk h MET 640 N 0.47 -0.06 -0.19 4.88 2.86 -0.71 0.17 114.93 122.35 2wmk h MET 640 Ca 0.13 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.76 2wmk h MET 640 Cb 0.11 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.77 2wmk h MET 640 CO -0.02 -0.04 0.07 -0.22 1.06 0.00 0.00 176.91 177.76 2wmk h LYS 641 N -0.07 0.29 -0.99 1.72 3.64 -1.00 -2.41 116.57 117.75 2wmk h LYS 641 Ca 0.14 -0.06 0.06 0.00 -1.27 0.00 0.00 60.65 59.52 2wmk h LYS 641 Cb 0.28 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 31.99 2wmk h LYS 641 CO -0.32 0.37 0.64 0.78 -2.27 0.00 0.00 179.45 178.65 2wmk h GLY 642 N 0.15 1.49 1.08 5.01 0.00 -0.82 -1.40 103.07 108.59 2wmk h GLY 642 Ca 0.06 -0.48 -0.03 0.00 0.00 0.00 0.00 47.33 46.89 2wmk h GLY 642 CO -0.00 0.36 0.42 1.41 0.00 0.00 0.00 176.54 178.72 2wmk h LEU 643 N 1.19 1.08 -0.17 3.11 3.38 -0.62 -1.15 115.31 122.14 2wmk h LEU 643 Ca 0.42 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.25 2wmk h LEU 643 Cb 0.12 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 2wmk h LEU 643 CO -0.16 0.90 0.01 -0.25 0.09 0.00 0.00 178.44 179.03 2wmk h TRP 644 N 1.19 0.31 0.00 1.13 7.01 -1.03 0.24 115.95 124.80 2wmk h TRP 644 Ca 0.29 -0.05 -0.06 0.00 2.11 0.00 0.00 58.89 61.19 2wmk h TRP 644 Cb 0.09 -0.08 -0.01 0.00 -2.10 0.00 0.00 29.16 27.06 2wmk h TRP 644 CO 0.01 0.48 -0.27 -0.07 -2.79 0.00 0.00 178.44 175.80 2wmk h LEU 645 N 0.05 0.00 -2.80 0.65 3.38 -0.97 -2.13 115.31 113.49 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 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2wmk h LEU 645 CO 0.01 0.27 0.00 -1.54 0.09 0.00 0.00 178.44 177.26 2wmk n SER 646 N -4.08 4.33 -2.24 -0.43 3.41 -0.46 -4.94 113.62 109.20 2wmk n SER 646 Ca -0.02 -2.49 -0.17 0.00 -0.26 0.00 0.00 58.87 55.92 2wmk n SER 646 Cb 0.33 -0.57 0.01 0.00 -0.26 0.00 0.00 64.21 63.73 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 0.79 -5.12 -0.91 4.04 3.02 -0.80 -4.89 115.26 111.39 2wmk n ASN 647 Ca 0.22 -0.15 0.11 0.00 -0.03 0.00 0.00 54.58 54.73 2wmk n ASN 647 Cb 0.85 -4.07 0.12 0.00 -0.61 0.00 0.00 39.78 36.08 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 -4.17 0.16 -3.63 3.10 8.25 0.84 -4.87 115.22 114.90 2wmk n HIS 648 Ca -0.13 -0.09 -0.15 0.00 -0.26 0.00 0.00 57.72 57.08 2wmk n HIS 648 Cb 0.62 -0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.65 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 -1.63 0.01 0.07 1.59 -1.32 -1.13 -4.88 115.64 108.36 2wmk s THR 649 Ca 0.28 -0.12 -0.21 0.00 -1.21 0.00 0.00 61.69 60.43 2wmk s THR 649 Cb 0.19 -0.84 -0.11 0.00 -1.51 0.00 0.00 72.50 70.22 2wmk s THR 649 CO 0.27 -0.07 1.56 0.22 -2.21 0.00 0.00 174.62 174.40 2wmk h TYR 650 N 3.91 0.26 -4.12 9.09 3.20 -0.19 -3.41 116.97 125.72 2wmk h TYR 650 Ca -0.28 -0.03 -0.16 0.00 3.14 0.00 0.00 58.73 61.40 2wmk h TYR 650 Cb 1.16 -0.07 -0.12 0.00 1.54 0.00 0.00 36.73 39.24 2wmk h TYR 650 CO 0.42 0.39 -0.36 -0.65 -1.64 0.00 0.00 178.16 176.33 2wmk s GLN 651 N -5.28 1.41 0.24 1.82 -1.52 -1.23 -5.04 119.66 110.06 2wmk s GLN 651 Ca -0.14 -1.46 0.01 0.00 -1.95 0.00 0.00 55.36 51.81 2wmk s GLN 651 Cb 0.06 0.37 -0.05 0.00 -0.22 0.00 0.00 33.01 33.18 2wmk s GLN 651 CO 0.71 -0.53 0.10 1.67 -0.25 0.00 0.00 175.29 176.99 2wmk s TRP 652 N -4.03 1.41 0.00 0.91 1.48 -1.26 -2.71 118.94 114.75 2wmk s TRP 652 Ca 0.31 -1.24 0.00 0.00 -1.06 0.00 0.00 56.10 54.11 2wmk s TRP 652 Cb 0.03 -0.79 0.00 0.00 -1.16 0.00 0.00 33.47 31.55 2wmk s TRP 652 CO 0.11 -0.43 0.00 0.41 -4.06 0.00 0.00 176.95 172.99 2wmk n GLY 653 N -0.40 1.70 3.40 3.67 0.00 -0.76 -1.09 105.19 111.71 2wmk n GLY 653 Ca 0.00 -0.52 -0.14 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.36 -0.38 -0.27 -0.02 0.00 -0.61 -1.79 107.32 103.89 2wmk s GLY 654 Ca 0.00 1.23 -0.08 0.00 0.00 0.00 0.00 44.72 45.87 2wmk s GLY 654 CO 0.00 1.00 0.11 -2.27 0.00 0.00 0.00 173.10 171.94 2wmk s LEU 655 N -0.25 3.69 -0.16 0.66 0.20 0.72 -2.19 118.68 121.36 2wmk s LEU 655 Ca -0.04 -0.28 -0.05 0.00 0.69 0.00 0.00 54.13 54.45 2wmk s LEU 655 Cb -0.03 -1.97 -0.03 0.00 -0.43 0.00 0.00 46.19 43.73 2wmk s LEU 655 CO 0.03 -0.08 -0.00 -0.04 -0.29 0.00 0.00 176.35 175.96 2wmk s MET 656 N 1.63 3.72 -0.10 1.98 -1.94 -0.66 -1.70 119.30 122.24 2wmk s MET 656 Ca 0.06 -0.45 -0.01 0.00 -1.71 0.00 0.00 55.69 53.58 2wmk s MET 656 Cb -0.16 -3.00 0.03 0.00 2.01 0.00 0.00 34.83 33.70 2wmk s MET 656 CO 0.05 0.29 -0.05 0.34 -0.01 0.00 0.00 175.02 175.65 2wmk s ASP 657 N 0.26 1.92 0.14 3.03 2.15 -1.26 -2.00 116.67 120.92 2wmk s ASP 657 Ca -0.01 -0.21 0.19 0.00 0.43 0.00 0.00 52.55 52.95 2wmk s ASP 657 Cb -0.13 -0.68 0.80 0.00 -0.30 0.00 0.00 42.92 42.61 2wmk s ASP 657 CO 0.02 -0.15 1.58 0.35 -0.17 0.00 0.00 175.17 176.80 2wmk n THR 658 N 4.99 0.96 0.21 1.71 -2.24 0.12 -1.77 114.28 118.26 2wmk n THR 658 Ca -0.11 0.27 0.12 0.00 -2.27 0.00 0.00 64.05 62.06 2wmk n THR 658 Cb 0.50 -1.13 0.63 0.00 -2.10 0.00 0.00 70.33 68.23 2wmk n THR 658 CO 0.00 0.00 0.00 -0.50 -0.57 0.00 0.00 175.07 174.00 2wmk h TRP 659 N 0.00 0.00 -0.56 4.78 4.06 -1.82 -2.63 115.95 119.78 2wmk h TRP 659 Ca 0.00 0.00 0.16 0.00 2.06 0.00 0.00 58.89 61.11 2wmk h TRP 659 Cb 0.29 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.42 2wmk h TRP 659 CO 0.00 0.00 0.41 1.57 -3.56 0.00 0.00 178.44 176.86 2wmk h LYS 660 N 0.00 0.00 -0.29 0.49 2.10 -1.51 -0.82 116.57 116.55 2wmk h LYS 660 Ca 0.00 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.53 2wmk h LYS 660 Cb 0.05 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.37 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 0.72 -0.08 0.07 2.91 -1.73 -1.64 115.95 116.19 2wmk h TRP 661 Ca 0.27 -0.19 -0.04 0.00 1.13 0.00 0.00 58.89 60.06 2wmk h TRP 661 Cb 1.08 -0.16 -0.00 0.00 -0.51 0.00 0.00 29.16 29.57 2wmk h TRP 661 CO 0.00 0.87 -0.11 -0.92 -1.03 0.00 0.00 178.44 177.25 2wmk h TYR 662 N 0.52 0.28 -0.36 2.65 3.20 -1.47 -1.67 116.97 120.13 2wmk h TYR 662 Ca 0.06 -0.09 0.02 0.00 3.14 0.00 0.00 58.73 61.86 2wmk h TYR 662 Cb 0.82 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 39.02 2wmk h TYR 662 CO 0.04 0.69 0.24 0.93 -1.64 0.00 0.00 178.16 178.42 2wmk h GLU 663 N -0.22 0.38 -0.04 1.82 4.39 -0.95 -1.52 114.58 118.43 2wmk h GLU 663 Ca 0.01 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.69 2wmk h GLU 663 Cb 0.66 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.22 2wmk h GLU 663 CO 0.03 0.25 0.00 0.25 -1.16 0.00 0.00 179.01 178.38 2wmk n THR 664 N -4.49 0.02 -1.18 1.13 -2.24 -0.64 -4.41 114.28 102.47 2wmk n THR 664 Ca 0.03 -0.42 -0.03 0.00 -2.27 0.00 0.00 64.05 61.36 2wmk n THR 664 Cb 0.14 1.12 -0.01 0.00 -2.10 0.00 0.00 70.33 69.48 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 1.29 0.58 3.86 3.38 0.00 -0.57 -4.84 105.19 108.88 2wmk n GLY 665 Ca 0.16 -0.92 -0.31 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.44 3.37 0.00 1.61 1.02 -0.65 -0.74 119.74 121.91 2wmk s LYS 666 Ca 0.00 0.79 0.00 0.00 0.02 0.00 0.00 55.97 56.78 2wmk s LYS 666 Cb 0.00 -2.05 0.00 0.00 -0.52 0.00 0.00 37.83 35.26 2wmk s LYS 666 CO 0.00 -0.74 0.00 -2.67 -0.92 0.00 0.00 175.35 171.02 2wmk n TRP 667 N -2.87 0.00 -1.77 3.18 4.27 -1.26 -4.72 117.44 114.27 2wmk n TRP 667 Ca 0.06 0.00 -0.40 0.00 -3.89 0.00 0.00 57.50 53.27 2wmk n TRP 667 Cb 0.54 0.00 0.01 0.00 -1.36 0.00 0.00 31.31 30.51 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 2.35 -1.68 -2.67 4.81 -1.26 -4.81 118.16 114.90 2wmk n LYS 668 Ca 0.00 0.83 -0.45 0.00 -0.87 0.00 0.00 58.31 57.83 2wmk n LYS 668 Cb 0.00 -2.64 -0.04 0.00 0.02 0.00 0.00 35.03 32.37 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 -0.06 3.68 0.00 3.14 7.94 -1.26 -1.99 117.00 128.45 2wmk n LEU 669 Ca 0.04 1.01 0.00 0.00 -1.11 0.00 0.00 56.01 55.95 2wmk n LEU 669 Cb 0.41 -1.48 0.00 0.00 0.53 0.00 0.00 43.42 42.88 2wmk n LEU 669 CO 0.60 0.01 0.00 0.49 -1.11 0.00 0.00 177.39 177.38 2wmk n PHE 670 N 5.33 0.00 -2.37 1.96 3.72 -1.26 -5.00 117.46 119.85 2wmk n PHE 670 Ca 0.19 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.22 2wmk n PHE 670 Cb 0.33 -0.47 -0.02 0.00 -0.94 0.00 0.00 39.48 38.38 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 -2.89 3.04 0.57 4.37 0.00 -0.84 -4.93 121.76 121.08 2wmk s ALA 671 Ca 0.00 0.85 -0.13 0.00 0.00 0.00 0.00 51.96 52.68 2wmk s ALA 671 Cb 0.00 -3.34 -0.06 0.00 0.00 0.00 0.00 23.12 19.72 2wmk s ALA 671 CO 0.00 -0.48 1.00 0.45 0.00 0.00 0.00 175.76 176.73 2wmk s SER 672 N -1.40 6.39 0.00 0.00 0.15 -1.26 -4.89 113.70 112.69 2wmk s SER 672 Ca 0.60 1.45 0.00 0.00 0.70 0.00 0.00 55.95 58.71 2wmk s SER 672 Cb -0.26 -2.47 0.00 0.00 -1.71 0.00 0.00 66.02 61.57 2wmk s SER 672 CO 0.33 -0.74 0.00 0.61 1.20 0.00 0.00 173.24 174.64 2wmk n GLY 673 N -2.24 1.84 3.39 9.45 0.00 -1.26 -4.40 105.19 111.97 2wmk n GLY 673 Ca 0.06 -1.73 -0.32 0.00 0.00 0.00 0.00 46.02 44.03 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 -0.22 3.72 0.00 1.61 3.84 -1.26 -4.73 114.94 117.90 2wmk s ASN 674 Ca 0.00 -0.33 0.13 0.00 0.21 0.00 0.00 52.86 52.87 2wmk s ASN 674 Cb 0.00 -1.02 0.28 0.00 -0.55 0.00 0.00 41.25 39.96 2wmk s ASN 674 CO 0.00 0.27 1.18 2.30 -2.79 0.00 0.00 177.10 178.06 2wmk n ILE 675 N 2.79 0.68 -1.94 -5.21 -5.35 0.08 -4.88 119.36 105.54 2wmk n ILE 675 Ca -0.17 -0.84 0.00 0.00 -0.27 0.00 0.00 62.75 61.47 2wmk n ILE 675 Cb 0.52 0.75 0.00 0.00 -1.74 0.00 0.00 39.64 39.17 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 0.71 0.98 2.82 3.28 0.00 -1.24 -3.95 105.19 107.79 2wmk n GLY 676 Ca 0.12 -0.58 -0.42 0.00 0.00 0.00 0.00 46.02 45.14 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 0.75 3.97 0.00 1.61 5.02 -1.26 -4.31 118.16 123.95 2wmk n LYS 677 Ca 0.00 -3.73 0.00 0.00 -2.02 0.00 0.00 58.31 52.56 2wmk n LYS 677 Cb 0.00 -2.79 0.00 0.00 -0.02 0.00 0.00 35.03 32.22 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 2.97 1.26 -2.67 4.39 3.41 -1.25 -4.79 113.62 116.95 2wmk n SER 678 Ca 0.41 -0.24 -0.09 0.00 -0.26 0.00 0.00 58.87 58.70 2wmk n SER 678 Cb 0.34 0.72 0.03 0.00 -0.26 0.00 0.00 64.21 65.04 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 -0.85 1.26 -0.35 4.33 1.13 -1.26 -4.97 117.38 116.67 2wmk n GLN 679 Ca 0.00 -3.31 -0.04 0.00 -1.94 0.00 0.00 57.00 51.71 2wmk n GLN 679 Cb 0.00 -1.30 -0.01 0.00 0.11 0.00 0.00 30.24 29.04 2wmk n GLN 679 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2wmk n GLY 680 N -0.12 -1.97 0.17 1.08 0.00 -1.26 -0.80 105.19 102.29 2wmk n GLY 680 Ca 0.10 1.00 0.05 0.00 0.00 0.00 0.00 46.02 47.17 2wmk n GLY 680 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2wmk h ASP 681 N 0.00 0.00 -0.07 1.61 3.32 -1.94 -0.87 116.42 118.47 2wmk h ASP 681 Ca 0.24 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 57.08 2wmk h ASP 681 Cb 0.46 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.02 2wmk h ASP 681 CO -0.85 0.37 -0.74 0.03 -1.72 0.00 0.00 179.24 176.33 2wmk h ARG 682 N 0.00 0.71 -0.33 3.56 3.08 -1.58 -3.35 114.38 116.47 2wmk h ARG 682 Ca -0.00 -0.57 -0.09 0.00 0.07 0.00 0.00 59.98 59.39 2wmk h ARG 682 Cb 1.21 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 31.37 2wmk h ARG 682 CO 0.05 1.18 -0.16 1.96 -1.07 0.00 0.00 179.97 181.93 2wmk h GLN 683 N 0.49 0.69 0.00 0.04 4.20 -0.10 -2.78 115.11 117.66 2wmk h GLN 683 Ca -0.04 -0.30 0.00 0.00 0.06 0.00 0.00 58.65 58.36 2wmk h GLN 683 Cb 1.36 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.12 2wmk h GLN 683 CO 0.15 0.90 0.00 -2.67 -0.67 0.00 0.00 178.83 176.54 2wmk n TRP 684 N -4.35 0.09 0.74 2.96 4.27 -0.42 -2.01 117.44 118.73 2wmk n TRP 684 Ca -0.03 0.04 0.12 0.00 -3.89 0.00 0.00 57.50 53.74 2wmk n TRP 684 Cb 0.39 -0.56 0.22 0.00 -1.36 0.00 0.00 31.31 30.01 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 -1.59 0.59 0.05 5.67 4.77 -1.05 -4.53 117.00 120.91 2wmk n LEU 685 Ca 0.03 0.17 0.02 0.00 -0.03 0.00 0.00 56.01 56.20 2wmk n LEU 685 Cb 0.15 -0.22 -0.06 0.00 -2.33 0.00 0.00 43.42 40.95 2wmk n LEU 685 CO 0.12 0.01 -0.20 0.74 -1.33 0.00 0.00 177.39 176.72 2wmk h THR 686 N 0.00 0.40 -2.06 -5.08 2.02 -1.39 -3.47 112.91 103.34 2wmk h THR 686 Ca 0.00 -1.79 -0.62 0.00 0.77 0.00 0.00 66.41 64.78 2wmk h THR 686 Cb 0.65 1.93 0.04 0.00 -1.74 0.00 0.00 68.15 69.03 2wmk h THR 686 CO 0.00 0.23 0.83 1.21 0.37 0.00 0.00 175.52 178.16 2wmk n GLU 687 N -2.86 1.93 -1.59 6.66 2.13 -1.26 -4.86 120.64 120.80 2wmk n GLU 687 Ca -0.07 0.70 -0.48 0.00 0.66 0.00 0.00 57.16 57.97 2wmk n GLU 687 Cb 0.78 -2.46 -0.03 0.00 0.27 0.00 0.00 31.44 29.99 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 4.30 1.26 -0.12 5.31 -0.02 -1.26 -4.89 135.00 139.59 2wmk n PRO 688 Ca 0.19 0.45 -0.05 0.00 -2.02 0.00 0.00 63.50 62.08 2wmk n PRO 688 Cb 0.26 -1.93 0.03 0.00 -0.02 0.00 0.00 33.50 31.84 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 3.18 0.12 0.00 -0.52 3.07 -1.89 -1.48 114.58 117.06 2wmk h GLU 689 Ca -0.42 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.42 2wmk h GLU 689 Cb 1.34 -0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 29.22 2wmk h GLU 689 CO 0.69 0.08 -0.06 0.66 -1.40 0.00 0.00 179.01 178.98 2wmk h SER 690 N 0.13 0.00 0.48 1.42 4.64 -1.51 -2.46 113.55 116.25 2wmk h SER 690 Ca 0.19 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.44 2wmk h SER 690 Cb 0.26 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.34 2wmk h SER 690 CO -0.30 0.06 -0.32 -0.03 -0.87 0.00 0.00 176.83 175.37 2wmk h MET 691 N 0.00 0.00 -0.69 4.77 -1.53 -1.56 -2.00 114.93 113.92 2wmk h MET 691 Ca -0.00 0.00 -0.02 0.00 -3.44 0.00 0.00 59.70 56.24 2wmk h MET 691 Cb 0.27 0.00 -0.03 0.00 -0.55 0.00 0.00 31.60 31.29 2wmk h MET 691 CO 0.01 0.32 0.36 -0.07 0.14 0.00 0.00 176.91 177.67 2wmk h LEU 692 N 0.00 0.86 -1.03 3.39 -0.00 -1.52 -1.04 115.31 115.97 2wmk h LEU 692 Ca -0.00 -0.08 -0.08 0.00 -0.00 0.00 0.00 57.88 57.72 2wmk h LEU 692 Cb 0.65 -0.22 -0.02 0.00 -0.00 0.00 0.00 40.66 41.07 2wmk h LEU 692 CO 0.04 0.71 -0.17 1.23 -0.00 0.00 0.00 178.44 180.25 2wmk h GLY 693 N 1.02 0.54 1.21 0.83 0.00 -1.51 -0.04 103.07 105.13 2wmk h GLY 693 Ca 0.24 -0.39 -0.10 0.00 0.00 0.00 0.00 47.33 47.08 2wmk h GLY 693 CO -0.04 0.36 -0.09 0.83 0.00 0.00 0.00 176.54 177.60 2wmk h GLU 694 N 0.45 0.93 -0.23 4.80 5.08 -1.04 -1.42 114.58 123.16 2wmk h GLU 694 Ca 0.08 -0.32 -0.02 0.00 -1.00 0.00 0.00 59.36 58.10 2wmk h GLU 694 Cb 0.55 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 2wmk h GLU 694 CO 0.04 0.98 0.08 0.93 -1.00 0.00 0.00 179.01 180.03 2wmk h GLU 695 N 0.84 0.35 0.00 2.33 5.08 -1.02 -3.09 114.58 119.06 2wmk h GLU 695 Ca 0.14 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 2wmk h GLU 695 Cb 0.62 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.82 2wmk h GLU 695 CO 0.04 0.42 -0.12 0.00 -1.00 0.00 0.00 179.01 178.36 2wmk h ALA 696 N 0.91 1.28 -0.27 3.43 0.00 -0.80 -2.29 119.26 121.51 2wmk h ALA 696 Ca 0.07 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2wmk h ALA 696 Cb 0.22 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2wmk h ALA 696 CO -0.00 0.14 0.03 -0.07 0.00 0.00 0.00 179.25 179.35 2wmk h LEU 697 N 0.00 0.36 -1.42 0.00 3.38 -1.17 -1.65 115.31 114.81 2wmk h LEU 697 Ca -0.00 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 2wmk h LEU 697 Cb 0.34 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 2wmk h LEU 697 CO 0.01 0.41 -0.26 1.23 0.09 0.00 0.00 178.44 179.92 2wmk h GLY 698 N 0.67 0.00 0.42 0.83 0.00 -1.50 0.16 103.07 103.65 2wmk h GLY 698 Ca 0.09 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.41 2wmk h GLY 698 CO 0.00 0.00 -0.15 -2.08 0.00 0.00 0.00 176.54 174.31 2wmk h VAL 699 N 0.00 0.37 -0.24 4.60 2.07 -1.46 -3.31 116.25 118.28 2wmk h VAL 699 Ca -0.00 -0.79 0.04 0.00 0.82 0.00 0.00 66.70 66.77 2wmk h VAL 699 Cb 0.60 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 2wmk h VAL 699 CO 0.03 0.09 0.00 0.22 0.02 0.00 0.00 177.57 177.94 2wmk h TYR 700 N -1.01 -0.00 0.00 1.57 3.20 -1.04 0.17 116.97 119.86 2wmk h TYR 700 Ca -0.04 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.84 2wmk h TYR 700 Cb 0.47 0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.78 2wmk h TYR 700 CO 0.03 -0.03 0.00 1.28 -1.64 0.00 0.00 178.16 177.80 2wmk n LEU 701 N -5.14 0.61 -0.54 2.82 4.77 0.53 -2.04 117.00 118.02 2wmk n LEU 701 Ca -0.02 0.68 0.09 0.00 -0.03 0.00 0.00 56.01 56.73 2wmk n LEU 701 Cb 0.12 -0.64 0.20 0.00 -2.33 0.00 0.00 43.42 40.77 2wmk n LEU 701 CO 0.25 -0.65 0.64 0.59 -1.33 0.00 0.00 177.39 176.90 2wmk n ASN 702 N -2.21 3.18 0.00 -1.43 4.13 -0.95 -4.87 115.26 113.11 2wmk n ASN 702 Ca 0.01 -2.95 0.00 0.00 1.68 0.00 0.00 54.58 53.33 2wmk n ASN 702 Cb 0.18 -0.46 0.00 0.00 -1.54 0.00 0.00 39.78 37.95 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 -0.80 0.79 3.78 7.41 0.00 -0.87 -4.98 105.19 110.53 2wmk n GLY 703 Ca 0.18 0.00 -0.35 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 -1.74 2.64 0.00 -0.02 0.00 0.01 -4.81 107.32 103.41 2wmk s GLY 704 Ca 0.00 0.78 0.00 0.00 0.00 0.00 0.00 44.72 45.50 2wmk s GLY 704 CO 0.00 1.15 0.37 3.33 0.00 0.00 0.00 173.10 177.95 2wmk n VAL 705 N -0.91 0.10 -5.06 1.40 0.24 -0.25 -4.19 118.33 109.67 2wmk n VAL 705 Ca 0.09 -0.14 -0.29 0.00 -2.04 0.00 0.00 64.34 61.96 2wmk n VAL 705 Cb 0.51 1.32 -0.17 0.00 -1.47 0.00 0.00 33.84 34.03 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 -0.10 1.79 -0.03 3.34 1.01 -1.14 -0.74 120.40 124.52 2wmk s VAL 706 Ca 0.00 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 61.12 2wmk s VAL 706 Cb 0.00 -1.54 -0.00 0.00 0.00 0.00 0.00 36.38 34.84 2wmk s VAL 706 CO 0.00 0.50 -0.11 -0.31 0.00 0.00 0.00 175.10 175.18 2wmk s TYR 707 N 0.15 1.13 0.03 5.22 2.02 -0.58 -1.58 117.35 123.75 2wmk s TYR 707 Ca -0.10 -0.28 -0.14 0.00 -0.37 0.00 0.00 57.07 56.18 2wmk s TYR 707 Cb -0.15 -0.78 0.02 0.00 -0.40 0.00 0.00 41.96 40.65 2wmk s TYR 707 CO 0.05 -0.09 0.31 1.21 -1.57 0.00 0.00 175.55 175.45 2wmk s ASN 708 N 0.05 -0.14 0.04 2.29 3.84 -0.93 -0.93 114.94 119.16 2wmk s ASN 708 Ca -0.01 -0.11 0.01 0.00 0.21 0.00 0.00 52.86 52.96 2wmk s ASN 708 Cb -0.08 0.35 -0.03 0.00 -0.55 0.00 0.00 41.25 40.94 2wmk s ASN 708 CO 0.01 -0.57 -0.06 -0.36 -2.79 0.00 0.00 177.10 173.32 2wmk s PHE 709 N -2.22 0.56 0.18 0.43 0.08 -1.26 -1.66 117.98 114.09 2wmk s PHE 709 Ca -0.07 -0.58 0.03 0.00 0.12 0.00 0.00 56.93 56.42 2wmk s PHE 709 Cb -0.02 -0.35 -0.05 0.00 -0.57 0.00 0.00 43.02 42.03 2wmk s PHE 709 CO -0.01 -0.14 -0.03 -1.21 -0.10 0.00 0.00 175.22 173.73 2wmk s GLU 710 N -1.90 1.16 0.16 0.44 2.02 -0.85 -4.40 118.70 115.32 2wmk s GLU 710 Ca -0.09 -1.55 -0.30 0.00 0.02 0.00 0.00 54.97 53.05 2wmk s GLU 710 Cb -0.07 -0.46 -0.08 0.00 0.10 0.00 0.00 34.13 33.62 2wmk s GLU 710 CO -0.01 -0.06 1.23 -1.58 0.02 0.00 0.00 175.26 174.86 2wmk s HIS 711 N -3.50 3.39 0.49 1.61 2.46 -1.26 -0.70 115.29 117.78 2wmk s HIS 711 Ca 0.23 1.33 0.16 0.00 0.47 0.00 0.00 55.06 57.25 2wmk s HIS 711 Cb 0.05 -3.48 1.19 0.00 -0.13 0.00 0.00 32.58 30.21 2wmk s HIS 711 CO 0.04 -1.42 2.08 -1.35 -2.47 0.00 0.00 174.74 171.63 2wmk h PRO 712 N 5.71 0.15 -0.20 2.88 0.11 -1.95 -1.69 132.00 137.00 2wmk h PRO 712 Ca -0.44 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.58 2wmk h PRO 712 Cb 1.21 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 2wmk h PRO 712 CO 0.77 0.10 -0.22 0.00 -0.21 0.00 0.00 178.00 178.44 2wmk h ALA 713 N 1.87 1.25 0.07 -0.75 0.00 -1.95 -0.59 119.26 119.15 2wmk h ALA 713 Ca 0.11 -0.30 -0.27 0.00 0.00 0.00 0.00 54.91 54.45 2wmk h ALA 713 Cb 0.24 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2wmk h ALA 713 CO -0.02 0.49 -1.42 -0.92 0.00 0.00 0.00 179.25 177.39 2wmk h TYR 714 N 0.32 0.26 -0.01 0.00 3.20 -1.75 -3.06 116.97 115.94 2wmk h TYR 714 Ca 0.05 -0.19 -0.17 0.00 3.14 0.00 0.00 58.73 61.56 2wmk h TYR 714 Cb 0.58 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.82 2wmk h TYR 714 CO 0.01 1.56 -0.79 1.79 -1.64 0.00 0.00 178.16 179.09 2wmk h THR 715 N -0.53 1.51 0.00 1.81 1.35 -1.31 -3.40 112.91 112.34 2wmk h THR 715 Ca -0.33 -2.56 -0.16 0.00 -0.55 0.00 0.00 66.41 62.81 2wmk h THR 715 Cb 1.61 2.39 -0.02 0.00 -1.73 0.00 0.00 68.15 70.39 2wmk h THR 715 CO -0.04 0.74 -1.50 -1.22 -0.25 0.00 0.00 175.52 173.24 2wmk n TYR 716 N -3.67 0.00 0.00 4.73 4.01 -0.28 -3.37 117.16 118.58 2wmk n TYR 716 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 2wmk n TYR 716 Cb 0.75 -0.36 0.00 0.00 -0.31 0.00 0.00 39.34 39.42 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 2.38 0.96 3.12 2.72 0.00 -0.90 -1.13 105.19 112.33 2wmk n GLY 717 Ca -0.19 -1.94 -0.08 0.00 0.00 0.00 0.00 46.02 43.80 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 -1.78 0.34 -1.48 1.61 -7.23 -1.12 -4.23 120.40 106.50 2wmk s VAL 718 Ca 0.00 -1.85 -0.12 0.00 -1.81 0.00 0.00 61.98 58.20 2wmk s VAL 718 Cb 0.00 -1.62 0.08 0.00 0.56 0.00 0.00 36.38 35.40 2wmk s VAL 718 CO 0.00 -0.91 0.82 0.59 -0.31 0.00 0.00 175.10 175.29 2wmk n ASN 719 N 0.05 -4.71 -0.60 4.85 3.02 0.33 -1.21 115.26 116.97 2wmk n ASN 719 Ca -0.13 -0.63 -0.08 0.00 -0.03 0.00 0.00 54.58 53.72 2wmk n ASN 719 Cb 0.61 -3.79 -0.03 0.00 -0.61 0.00 0.00 39.78 35.95 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 -2.66 -5.31 -4.61 6.41 3.02 -1.26 -4.85 115.26 105.99 2wmk n ASN 720 Ca 0.01 0.20 -0.32 0.00 -0.03 0.00 0.00 54.58 54.44 2wmk n ASN 720 Cb 0.54 -3.51 -0.10 0.00 -0.61 0.00 0.00 39.78 36.10 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 -2.48 2.53 0.15 3.52 1.02 -0.35 -4.81 119.74 119.31 2wmk s LYS 721 Ca 0.00 -0.75 -0.30 0.00 0.02 0.00 0.00 55.97 54.94 2wmk s LYS 721 Cb 0.00 -2.50 -0.07 0.00 -0.52 0.00 0.00 37.83 34.74 2wmk s LYS 721 CO 0.00 0.59 1.10 -1.21 -0.92 0.00 0.00 175.35 174.91 2wmk s GLU 722 N -1.59 4.57 0.78 1.68 2.02 -1.26 -2.81 118.70 122.09 2wmk s GLU 722 Ca 0.18 1.70 -0.11 0.00 0.02 0.00 0.00 54.97 56.76 2wmk s GLU 722 Cb -0.11 -3.30 0.06 0.00 0.10 0.00 0.00 34.13 30.87 2wmk s GLU 722 CO 0.09 0.02 1.08 -1.54 0.02 0.00 0.00 175.26 174.94 2wmk s SER 723 N 0.13 4.62 0.37 -0.19 1.04 -0.29 -4.82 113.70 114.57 2wmk s SER 723 Ca 0.51 1.50 0.10 0.00 0.48 0.00 0.00 55.95 58.54 2wmk s SER 723 Cb -0.29 -2.27 0.74 0.00 0.10 0.00 0.00 66.02 64.30 2wmk s SER 723 CO 0.33 -1.91 1.87 -0.07 0.98 0.00 0.00 173.24 174.44 2wmk h LEU 724 N -1.05 0.19 -0.26 2.42 3.38 -1.86 0.66 115.31 118.79 2wmk h LEU 724 Ca -0.46 -0.05 0.03 0.00 0.09 0.00 0.00 57.88 57.49 2wmk h LEU 724 Cb 1.25 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.92 2wmk h LEU 724 CO 0.57 0.41 0.08 0.25 0.09 0.00 0.00 178.44 179.84 2wmk h LEU 725 N 0.18 0.08 -0.08 1.67 6.46 -1.89 0.39 115.31 122.14 2wmk h LEU 725 Ca 0.03 0.03 -0.01 0.00 -0.12 0.00 0.00 57.88 57.82 2wmk h LEU 725 Cb 0.48 0.02 -0.00 0.00 -0.73 0.00 0.00 40.66 40.42 2wmk h LEU 725 CO 0.03 0.08 0.03 0.15 -0.62 0.00 0.00 178.44 178.11 2wmk h PHE 726 N 0.20 0.12 -0.21 1.25 3.57 -1.41 -1.51 116.94 118.95 2wmk h PHE 726 Ca 0.12 -0.01 -0.20 0.00 3.53 0.00 0.00 57.97 61.40 2wmk h PHE 726 Cb 0.09 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 38.80 2wmk h PHE 726 CO -0.13 0.25 -0.67 0.66 -2.23 0.00 0.00 178.31 176.19 2wmk h SER 727 N -0.05 0.92 0.95 0.41 4.64 -0.72 0.14 113.55 119.85 2wmk h SER 727 Ca 0.02 -0.55 -0.05 0.00 -0.47 0.00 0.00 61.79 60.74 2wmk h SER 727 Cb 0.19 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.00 2wmk h SER 727 CO -0.00 1.35 -1.09 -0.33 -0.87 0.00 0.00 176.83 175.89 2wmk h GLU 728 N 0.58 0.00 0.00 4.77 4.39 -0.99 -3.36 114.58 119.97 2wmk h GLU 728 Ca -0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.68 2wmk h GLU 728 Cb 1.28 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.93 2wmk h GLU 728 CO 0.14 0.10 -0.03 0.28 -1.16 0.00 0.00 179.01 178.34 2wmk n VAL 729 N -2.77 0.48 0.00 3.13 0.31 -0.61 -4.54 118.33 114.33 2wmk n VAL 729 Ca -0.03 0.17 -0.12 0.00 -0.01 0.00 0.00 64.34 64.35 2wmk n VAL 729 Cb 0.64 -1.27 -0.07 0.00 -0.91 0.00 0.00 33.84 32.24 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 -0.03 1.13 -0.43 2.52 2.04 -1.28 0.44 117.51 121.90 2wmk h ILE 730 Ca 0.00 -0.38 -0.02 0.00 1.00 0.00 0.00 64.86 65.46 2wmk h ILE 730 Cb 0.03 1.29 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 2wmk h ILE 730 CO 0.00 0.11 0.18 0.50 0.00 0.00 0.00 178.15 178.94 2wmk h LYS 731 N -0.06 0.64 -0.43 2.37 3.64 -0.93 0.22 116.57 122.02 2wmk h LYS 731 Ca 0.02 -0.11 -0.00 0.00 -1.27 0.00 0.00 60.65 59.28 2wmk h LYS 731 Cb 0.15 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 2wmk h LYS 731 CO -0.00 0.58 0.25 0.93 -2.27 0.00 0.00 179.45 178.94 2wmk h GLU 732 N 0.55 0.58 -0.30 1.90 4.39 -1.64 -0.24 114.58 119.82 2wmk h GLU 732 Ca 0.14 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.79 2wmk h GLU 732 Cb 0.17 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 2wmk h GLU 732 CO -0.01 0.43 0.19 0.35 -1.16 0.00 0.00 179.01 178.81 2wmk h PHE 733 N 0.56 0.39 -0.48 4.33 3.57 -0.63 -1.18 116.94 123.49 2wmk h PHE 733 Ca 0.15 0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.52 2wmk h PHE 733 Cb 0.00 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.60 2wmk h PHE 733 CO -0.03 0.27 -0.22 0.35 -2.23 0.00 0.00 178.31 176.45 2wmk h PHE 734 N 0.40 1.15 -0.95 0.41 3.57 -0.43 -1.50 116.94 119.58 2wmk h PHE 734 Ca 0.11 -0.28 0.08 0.00 3.53 0.00 0.00 57.97 61.41 2wmk h PHE 734 Cb -0.01 -0.27 -0.07 0.00 2.79 0.00 0.00 35.95 38.39 2wmk h PHE 734 CO -0.05 1.11 0.60 0.00 -2.23 0.00 0.00 178.31 177.74 2wmk h ARG 735 N 0.86 1.01 -0.44 1.11 3.08 -1.02 -2.18 114.38 116.80 2wmk h ARG 735 Ca 0.11 -0.06 0.03 0.00 0.07 0.00 0.00 59.98 60.13 2wmk h ARG 735 Cb 0.80 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 30.59 2wmk h ARG 735 CO 0.07 0.67 0.25 -0.92 -1.07 0.00 0.00 179.97 178.96 2wmk h TYR 736 N 1.04 0.46 0.00 3.04 3.20 -0.26 -1.94 116.97 122.50 2wmk h TYR 736 Ca 0.44 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.32 2wmk h TYR 736 Cb 0.29 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.41 2wmk h TYR 736 CO -0.02 0.25 0.00 -0.39 -1.64 0.00 0.00 178.16 176.37 2wmk h VAL 737 N 0.49 0.00 -0.03 1.81 -1.51 -1.00 0.20 116.25 116.21 2wmk h VAL 737 Ca 0.18 -0.61 -0.03 0.00 -1.23 0.00 0.00 66.70 65.01 2wmk h VAL 737 Cb 0.04 1.57 0.00 0.00 -2.13 0.00 0.00 31.29 30.78 2wmk h VAL 737 CO -0.10 0.00 -0.09 0.40 -1.23 0.00 0.00 177.57 176.55 2wmk h ILE 738 N 0.00 1.46 -0.20 7.19 2.04 -1.21 -3.20 117.51 123.60 2wmk h ILE 738 Ca 0.00 -1.49 -0.09 0.00 1.00 0.00 0.00 64.86 64.28 2wmk h ILE 738 Cb 0.66 2.38 -0.01 0.00 -0.74 0.00 0.00 36.82 39.10 2wmk h ILE 738 CO 0.00 0.40 -0.27 0.00 0.00 0.00 0.00 178.15 178.29 2wmk h ALA 739 N 0.42 1.18 -3.08 1.87 0.00 -1.03 -3.34 119.26 115.28 2wmk h ALA 739 Ca -0.00 -0.33 -0.62 0.00 0.00 0.00 0.00 54.91 53.95 2wmk h ALA 739 Cb 0.70 -0.11 -0.41 0.00 0.00 0.00 0.00 17.79 17.98 2wmk h ALA 739 CO 0.02 0.53 -0.68 -1.01 0.00 0.00 0.00 179.25 178.10 2wmk s HIS 740 N -4.45 2.66 0.27 0.00 3.76 0.67 -5.10 115.29 113.10 2wmk s HIS 740 Ca -0.06 -2.87 -0.29 0.00 -0.15 0.00 0.00 55.06 51.69 2wmk s HIS 740 Cb 0.14 -2.29 -0.14 0.00 1.11 0.00 0.00 32.58 31.40 2wmk s HIS 740 CO 0.77 -0.72 1.11 -2.30 -0.85 0.00 0.00 174.74 172.76 2wmk n PRO 741 N 2.97 1.49 -0.97 8.40 -0.02 -1.21 -4.48 135.00 141.18 2wmk n PRO 741 Ca 0.12 0.53 -0.34 0.00 -2.02 0.00 0.00 63.50 61.79 2wmk n PRO 741 Cb 0.35 -1.98 0.11 0.00 -0.02 0.00 0.00 33.50 31.96 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 0.64 -1.83 -1.73 3.55 0.00 -1.25 -4.87 120.51 115.01 2wmk n ALA 742 Ca 0.10 -0.46 -0.42 0.00 0.00 0.00 0.00 53.44 52.66 2wmk n ALA 742 Cb 0.31 -1.90 -0.01 0.00 0.00 0.00 0.00 19.45 17.85 2wmk n ALA 742 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2wmk n PRO 743 N -1.76 2.42 -1.12 0.00 -0.04 -1.26 -4.84 135.00 128.39 2wmk n PRO 743 Ca 0.09 0.85 -0.30 0.00 -0.04 0.00 0.00 63.50 64.10 2wmk n PRO 743 Cb 0.52 -2.54 0.13 0.00 -0.04 0.00 0.00 33.50 31.57 2wmk n PRO 743 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2wmk s SER 744 N 0.04 3.69 0.27 3.54 1.04 -1.26 -4.37 113.70 116.65 2wmk s SER 744 Ca 0.59 1.72 0.00 0.00 0.48 0.00 0.00 55.95 58.74 2wmk s SER 744 Cb -0.54 -2.37 0.56 0.00 0.10 0.00 0.00 66.02 63.77 2wmk s SER 744 CO 0.57 -2.54 1.77 0.50 0.98 0.00 0.00 173.24 174.53 2wmk h LYS 745 N -1.48 0.67 -0.47 4.02 3.64 -1.92 0.96 116.57 121.98 2wmk h LYS 745 Ca -0.47 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 58.83 2wmk h LYS 745 Cb 1.26 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.91 2wmk h LYS 745 CO 0.51 0.44 0.14 0.93 -2.27 0.00 0.00 179.45 179.21 2wmk h GLU 746 N 0.69 0.74 -0.43 1.90 3.07 -1.99 0.55 114.58 119.12 2wmk h GLU 746 Ca 0.48 -0.16 -0.14 0.00 -0.50 0.00 0.00 59.36 59.04 2wmk h GLU 746 Cb 0.66 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.46 2wmk h GLU 746 CO -0.35 0.71 -0.27 -0.22 -1.40 0.00 0.00 179.01 177.47 2wmk h LYS 747 N 0.63 0.91 -0.71 2.33 3.64 -1.75 -1.03 116.57 120.60 2wmk h LYS 747 Ca 0.15 -0.41 -0.05 0.00 -1.27 0.00 0.00 60.65 59.07 2wmk h LYS 747 Cb 0.28 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.05 2wmk h LYS 747 CO -0.00 1.07 0.25 0.28 -2.27 0.00 0.00 179.45 178.77 2wmk h VAL 748 N 0.78 1.25 -0.43 2.00 2.07 -0.62 -2.49 116.25 118.81 2wmk h VAL 748 Ca 0.09 -0.85 -0.10 0.00 0.82 0.00 0.00 66.70 66.66 2wmk h VAL 748 Cb 0.84 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 2wmk h VAL 748 CO 0.07 0.33 -0.11 0.25 0.02 0.00 0.00 177.57 178.14 2wmk h LEU 749 N 1.03 0.85 -0.33 2.57 5.85 -0.79 -2.07 115.31 122.42 2wmk h LEU 749 Ca 0.23 -0.36 0.06 0.00 0.84 0.00 0.00 57.88 58.65 2wmk h LEU 749 Cb 0.27 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.01 2wmk h LEU 749 CO -0.01 1.01 0.01 -0.33 -0.34 0.00 0.00 178.44 178.78 2wmk h GLU 750 N 0.67 0.10 0.00 1.25 5.08 -1.19 -2.90 114.58 117.59 2wmk h GLU 750 Ca 0.11 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2wmk h GLU 750 Cb 0.65 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.87 2wmk h GLU 750 CO 0.04 0.07 0.00 -0.25 -1.00 0.00 0.00 179.01 177.87 2wmk n ASP 751 N -5.17 0.00 -4.70 1.42 9.92 -0.94 -4.78 116.55 112.30 2wmk n ASP 751 Ca 0.01 0.31 -0.41 0.00 -0.53 0.00 0.00 54.79 54.18 2wmk n ASP 751 Cb 0.17 -0.42 -0.04 0.00 -0.64 0.00 0.00 41.12 40.19 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 -2.84 4.94 -0.12 -3.53 2.01 -0.80 -4.91 115.64 110.39 2wmk s THR 752 Ca 0.13 1.64 0.16 0.00 0.31 0.00 0.00 61.69 63.93 2wmk s THR 752 Cb 0.13 -4.14 -0.23 0.00 0.01 0.00 0.00 72.50 68.27 2wmk s THR 752 CO 0.32 0.14 0.17 0.29 -0.69 0.00 0.00 174.62 174.85 2wmk n LYS 753 N 4.40 1.01 -4.36 4.92 4.76 -1.26 -4.38 118.16 123.25 2wmk n LYS 753 Ca 0.03 -0.06 -0.21 0.00 -2.87 0.00 0.00 58.31 55.20 2wmk n LYS 753 Cb 0.50 -1.44 -0.16 0.00 -1.84 0.00 0.00 35.03 32.10 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 0.78 -0.12 -0.18 1.01 -1.26 -1.44 120.40 116.50 2wmk s VAL 754 Ca -0.08 -0.31 -0.00 0.00 0.00 0.00 0.00 61.98 61.59 2wmk s VAL 754 Cb 0.07 -0.73 0.02 0.00 0.00 0.00 0.00 36.38 35.75 2wmk s VAL 754 CO 0.72 0.26 -0.09 0.12 0.00 0.00 0.00 175.10 176.11 2wmk s PHE 755 N 0.54 1.66 -0.00 5.22 5.36 -0.30 -4.22 117.98 126.23 2wmk s PHE 755 Ca -0.09 -0.86 -0.19 0.00 -0.96 0.00 0.00 56.93 54.83 2wmk s PHE 755 Cb -0.12 -1.32 -0.06 0.00 -0.34 0.00 0.00 43.02 41.18 2wmk s PHE 755 CO 0.01 -0.55 0.53 0.42 -1.46 0.00 0.00 175.22 174.17 2wmk s ILE 756 N 1.65 4.93 -0.27 3.12 1.01 0.35 -0.99 121.20 131.02 2wmk s ILE 756 Ca 0.05 1.10 0.01 0.00 0.00 0.00 0.00 60.65 61.81 2wmk s ILE 756 Cb -0.13 -3.86 0.05 0.00 0.01 0.00 0.00 42.46 38.54 2wmk s ILE 756 CO -0.09 0.47 -0.07 -2.28 0.00 0.00 0.00 174.94 172.97 2wmk s HIS 757 N -0.49 3.20 0.00 3.97 5.65 0.19 -1.86 115.29 125.95 2wmk s HIS 757 Ca 0.28 -2.02 0.00 0.00 0.25 0.00 0.00 55.06 53.57 2wmk s HIS 757 Cb -0.18 -2.00 0.00 0.00 -1.18 0.00 0.00 32.58 29.22 2wmk s HIS 757 CO 0.16 -0.83 0.00 0.41 -0.65 0.00 0.00 174.74 173.83 2wmk n GLY 758 N 4.54 0.05 3.51 1.59 0.00 -0.60 -0.94 105.19 113.34 2wmk n GLY 758 Ca -0.15 -1.29 -0.42 0.00 0.00 0.00 0.00 46.02 44.16 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 6.20 0.56 1.61 1.01 -1.26 -3.64 116.67 121.15 2wmk s ASP 759 Ca 0.00 -0.51 0.25 0.00 0.71 0.00 0.00 52.55 53.01 2wmk s ASP 759 Cb 0.00 -2.22 1.53 0.00 1.01 0.00 0.00 42.92 43.24 2wmk s ASP 759 CO 0.00 -0.50 2.10 1.88 0.21 0.00 0.00 175.17 178.86 2wmk h TYR 760 N 8.63 0.00 0.00 4.23 0.05 -1.95 -2.17 116.97 125.77 2wmk h TYR 760 Ca -0.27 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.50 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 0.65 0.00 -0.00 0.66 -1.05 0.00 0.00 178.16 178.41 2wmk h SER 761 N 0.00 0.00 0.12 3.88 4.64 -1.92 0.16 113.55 120.42 2wmk h SER 761 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 2wmk h SER 761 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 2wmk h SER 761 CO -0.00 0.00 -0.13 0.59 -0.87 0.00 0.00 176.83 176.42 2wmk n ASN 762 N -3.90 1.23 -1.71 4.97 3.02 -0.82 -4.17 115.26 113.88 2wmk n ASN 762 Ca -0.03 -1.17 -0.06 0.00 -0.03 0.00 0.00 54.58 53.29 2wmk n ASN 762 Cb 0.08 0.06 0.08 0.00 -0.61 0.00 0.00 39.78 39.39 2wmk n ASN 762 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2wmk n LYS 763 N -0.26 2.02 -0.67 3.52 4.76 0.09 -4.97 118.16 122.65 2wmk n LYS 763 Ca 0.16 -3.41 0.00 0.00 -2.87 0.00 0.00 58.31 52.19 2wmk n LYS 763 Cb 0.35 -1.55 0.00 0.00 -1.84 0.00 0.00 35.03 31.98 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 -0.59 0.69 7.00 0.72 0.00 -1.13 -4.05 105.19 107.83 2wmk n GLY 764 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 0.17 1.61 3.02 0.33 -1.66 115.26 118.72 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 0.74 0.00 -0.61 0.00 0.00 39.78 39.91 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 2.00 7.41 0.00 -1.86 -0.32 103.07 110.30 2wmk h GLY 766 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2wmk h GLY 766 CO 0.00 0.00 -0.04 0.50 0.00 0.00 0.00 176.54 177.00 2wmk h LYS 767 N 0.00 0.00 -1.01 4.80 1.57 -1.55 -2.80 116.57 117.59 2wmk h LYS 767 Ca 0.14 0.00 0.22 0.00 -1.87 0.00 0.00 60.65 59.14 2wmk h LYS 767 Cb 1.04 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 33.24 2wmk h LYS 767 CO -0.00 0.04 0.62 0.35 -0.57 0.00 0.00 179.45 179.88 2wmk h PHE 768 N 0.00 0.95 -0.00 -1.35 3.57 -1.19 -2.52 116.94 116.40 2wmk h PHE 768 Ca -0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 2wmk h PHE 768 Cb 0.10 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 38.56 2wmk h PHE 768 CO 0.00 0.14 -0.84 1.19 -2.23 0.00 0.00 178.31 176.57 2wmk n PHE 769 N -4.77 0.00 -1.91 0.41 3.72 -1.06 -4.79 117.46 109.06 2wmk n PHE 769 Ca 0.25 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.23 2wmk n PHE 769 Cb 0.70 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 39.20 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 -2.85 2.54 -0.79 -4.37 1.01 -0.95 -0.53 120.40 114.46 2wmk s VAL 770 Ca 0.11 0.39 0.00 0.00 0.00 0.00 0.00 61.98 62.48 2wmk s VAL 770 Cb 0.17 -3.25 0.00 0.00 0.00 0.00 0.00 36.38 33.30 2wmk s VAL 770 CO 0.78 0.03 0.00 0.59 0.00 0.00 0.00 175.10 176.50 2wmk n ASN 771 N 3.81 -5.50 -0.02 3.32 5.03 0.33 -4.80 115.26 117.43 2wmk n ASN 771 Ca 0.13 0.18 -0.03 0.00 0.87 0.00 0.00 54.58 55.74 2wmk n ASN 771 Cb 0.38 -3.65 -0.01 0.00 -1.02 0.00 0.00 39.78 35.48 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 -2.25 0.62 -0.89 2.41 0.31 0.31 -4.93 118.33 113.90 2wmk n VAL 772 Ca -0.07 0.29 0.00 0.00 -0.01 0.00 0.00 64.34 64.55 2wmk n VAL 772 Cb 0.51 -1.67 0.01 0.00 -0.91 0.00 0.00 33.84 31.78 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 -3.22 0.51 -4.36 4.52 0.23 -0.14 -4.90 115.26 107.91 2wmk n ASN 773 Ca -0.04 -1.40 -0.26 0.00 -0.53 0.00 0.00 54.58 52.35 2wmk n ASN 773 Cb 0.15 -0.04 -0.12 0.00 -2.08 0.00 0.00 39.78 37.69 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 -0.32 2.05 -1.76 5.53 -4.23 -0.88 -0.70 115.64 115.32 2wmk s THR 774 Ca 0.01 -1.78 0.27 0.00 -1.18 0.00 0.00 61.69 59.01 2wmk s THR 774 Cb 0.01 -1.87 0.30 0.00 1.34 0.00 0.00 72.50 72.29 2wmk s THR 774 CO 0.00 -0.06 1.61 -0.90 -0.54 0.00 0.00 174.62 174.73 2wmk n ASP 775 N 0.73 0.96 -3.65 3.99 5.75 -1.26 -0.51 116.55 122.56 2wmk n ASP 775 Ca -0.17 -0.86 -0.04 0.00 -0.01 0.00 0.00 54.79 53.72 2wmk n ASP 775 Cb 0.54 0.10 -0.01 0.00 -1.03 0.00 0.00 41.12 40.72 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 -2.48 0.81 0.16 0.11 1.70 -1.26 -4.82 118.95 113.18 2wmk s ARG 776 Ca 0.25 -0.41 -0.11 0.00 -0.47 0.00 0.00 55.73 54.99 2wmk s ARG 776 Cb 0.19 0.31 0.04 0.00 -0.57 0.00 0.00 34.95 34.92 2wmk s ARG 776 CO 0.51 -0.37 1.63 0.93 -1.08 0.00 0.00 175.30 176.92 2wmk h GLU 777 N 2.00 0.94 -3.14 3.89 5.08 -1.92 -3.39 114.58 118.04 2wmk h GLU 777 Ca -0.23 -0.28 -0.77 0.00 -1.00 0.00 0.00 59.36 57.08 2wmk h GLU 777 Cb 1.22 -0.10 -0.30 0.00 0.50 0.00 0.00 28.75 30.07 2wmk h GLU 777 CO 0.27 0.93 0.41 1.04 -1.00 0.00 0.00 179.01 180.66 2wmk n GLN 778 N -4.31 3.69 -3.68 2.33 6.02 -1.26 -4.27 117.38 115.90 2wmk n GLN 778 Ca 0.02 -4.52 -0.14 0.00 -0.01 0.00 0.00 57.00 52.34 2wmk n GLN 778 Cb 0.30 -2.49 -0.08 0.00 1.02 0.00 0.00 30.24 28.99 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 -2.03 0.02 -1.90 5.09 -1.32 -1.26 -5.02 115.64 109.21 2wmk s THR 779 Ca 0.31 -0.18 0.20 0.00 -1.21 0.00 0.00 61.69 60.81 2wmk s THR 779 Cb -0.01 -0.73 0.60 0.00 -1.51 0.00 0.00 72.50 70.84 2wmk s THR 779 CO -0.01 -0.10 1.50 -0.81 -2.21 0.00 0.00 174.62 172.99 2wmk n PRO 780 N 1.75 2.65 -4.03 7.08 -0.04 -1.26 -4.70 135.00 136.46 2wmk n PRO 780 Ca -0.18 -2.42 -0.23 0.00 -0.04 0.00 0.00 63.50 60.63 2wmk n PRO 780 Cb 0.56 -1.56 -0.06 0.00 -0.04 0.00 0.00 33.50 32.41 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 -1.08 3.23 0.18 1.53 1.43 -1.26 -4.75 118.68 117.96 2wmk s LEU 781 Ca 0.45 -0.88 0.10 0.00 -1.03 0.00 0.00 54.13 52.77 2wmk s LEU 781 Cb 0.24 -1.68 -0.04 0.00 0.03 0.00 0.00 46.19 44.74 2wmk s LEU 781 CO 0.29 -0.44 -0.16 -0.31 0.23 0.00 0.00 176.35 175.96 2wmk s TYR 782 N -2.50 2.49 -0.92 0.29 2.02 -1.26 -4.72 117.35 112.75 2wmk s TYR 782 Ca 0.41 -0.28 0.21 0.00 -0.37 0.00 0.00 57.07 57.04 2wmk s TYR 782 Cb -0.00 -1.23 -0.20 0.00 -0.40 0.00 0.00 41.96 40.12 2wmk s TYR 782 CO 0.23 0.50 0.89 0.00 -1.57 0.00 0.00 175.55 175.60 2wmk n MET 783 N 0.20 0.06 -3.65 -0.62 0.00 0.12 -4.62 117.12 108.61 2wmk n MET 783 Ca -0.12 -0.02 -0.15 0.00 0.00 0.00 0.00 57.70 57.42 2wmk n MET 783 Cb 0.55 -1.50 -0.08 0.00 0.00 0.00 0.00 33.22 32.19 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 -3.04 0.01 -2.20 3.17 -1.32 -1.26 -3.70 115.64 107.30 2wmk s THR 784 Ca 0.07 -0.12 0.21 0.00 -1.21 0.00 0.00 61.69 60.64 2wmk s THR 784 Cb 0.16 -0.81 0.51 0.00 -1.51 0.00 0.00 72.50 70.85 2wmk s THR 784 CO 0.86 -0.07 1.46 0.61 -2.21 0.00 0.00 174.62 175.28 2wmk n GLY 785 N 1.75 1.80 0.32 6.08 0.00 -1.05 -4.64 105.19 109.45 2wmk n GLY 785 Ca -0.17 -0.70 0.09 0.00 0.00 0.00 0.00 46.02 45.24 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 3.95 0.60 -0.63 1.61 2.43 -1.94 0.79 114.38 121.19 2wmk h ARG 786 Ca 0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2wmk h ARG 786 Cb 0.89 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.30 2wmk h ARG 786 CO 0.00 0.39 0.00 0.66 -1.51 0.00 0.00 179.97 179.51 2wmk n TYR 787 N -4.88 0.83 0.00 2.20 4.01 -1.26 -4.79 117.16 113.27 2wmk n TYR 787 Ca 0.19 -0.46 0.00 0.00 -0.16 0.00 0.00 57.90 57.47 2wmk n TYR 787 Cb 0.49 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.52 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 1.47 0.00 -4.39 7.72 6.94 0.27 -3.85 115.26 123.42 2wmk n ASN 788 Ca 0.22 0.00 -0.37 0.00 -0.02 0.00 0.00 54.58 54.41 2wmk n ASN 788 Cb 0.59 0.00 -0.13 0.00 -2.36 0.00 0.00 39.78 37.88 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 4.07 -0.09 3.53 1.01 -1.26 -4.90 120.40 122.76 2wmk s VAL 789 Ca 0.00 -0.42 -0.30 0.00 0.00 0.00 0.00 61.98 61.27 2wmk s VAL 789 Cb 0.00 -2.98 -0.03 0.00 0.00 0.00 0.00 36.38 33.37 2wmk s VAL 789 CO 0.00 0.24 1.34 -0.63 0.00 0.00 0.00 175.10 176.06 2wmk s ILE 790 N 1.55 4.03 0.42 2.22 1.01 -1.25 -5.00 121.20 124.19 2wmk s ILE 790 Ca 0.05 1.31 -0.20 0.00 0.00 0.00 0.00 60.65 61.82 2wmk s ILE 790 Cb -0.16 -3.85 -0.10 0.00 0.01 0.00 0.00 42.46 38.36 2wmk s ILE 790 CO 0.02 -0.07 0.93 -2.16 0.00 0.00 0.00 174.94 173.66 2wmk s PRO 791 N 3.08 4.17 0.03 2.79 0.04 -1.26 -4.60 135.00 139.25 2wmk s PRO 791 Ca 0.60 1.04 -0.09 0.00 0.04 0.00 0.00 61.00 62.59 2wmk s PRO 791 Cb -0.26 -2.21 0.00 0.00 0.04 0.00 0.00 34.50 32.07 2wmk s PRO 791 CO 0.21 -0.03 0.19 0.00 0.04 0.00 0.00 177.00 177.41 2wmk s ALA 792 N -2.20 -0.36 0.13 8.56 0.00 -0.98 -0.49 121.76 126.41 2wmk s ALA 792 Ca 0.61 -0.24 0.09 0.00 0.00 0.00 0.00 51.96 52.42 2wmk s ALA 792 Cb -0.09 0.24 -0.04 0.00 0.00 0.00 0.00 23.12 23.23 2wmk s ALA 792 CO 0.16 -0.33 -0.21 0.96 0.00 0.00 0.00 175.76 176.34 2wmk s ILE 793 N -2.29 1.87 0.74 0.00 -4.36 -0.77 -3.58 121.20 112.80 2wmk s ILE 793 Ca -0.07 -1.72 -0.15 0.00 -0.26 0.00 0.00 60.65 58.44 2wmk s ILE 793 Cb -0.02 -1.75 0.02 0.00 1.25 0.00 0.00 42.46 41.96 2wmk s ILE 793 CO -0.02 -0.12 1.00 -2.65 0.24 0.00 0.00 174.94 173.39 2wmk n PRO 794 N 0.76 0.45 0.26 0.37 -0.02 -1.26 -1.56 135.00 134.01 2wmk n PRO 794 Ca -0.17 0.21 0.10 0.00 -2.02 0.00 0.00 63.50 61.63 2wmk n PRO 794 Cb 0.55 -2.26 0.70 0.00 -0.02 0.00 0.00 33.50 32.46 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 -0.37 0.00 2.00 -1.23 0.00 -1.88 -2.07 103.07 99.52 2wmk h GLY 795 Ca -0.47 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.85 2wmk h GLY 795 CO 0.47 0.00 -0.03 -0.24 0.00 0.00 0.00 176.54 176.73 2wmk h VAL 796 N 0.00 0.83 -3.80 4.60 3.04 -1.92 -3.44 116.25 115.57 2wmk h VAL 796 Ca -0.00 -0.11 -0.48 0.00 -1.01 0.00 0.00 66.70 65.09 2wmk h VAL 796 Cb 0.16 1.07 -0.02 0.00 -2.01 0.00 0.00 31.29 30.49 2wmk h VAL 796 CO 0.01 0.03 0.15 -0.76 -1.01 0.00 0.00 177.57 175.99 2wmk s LEU 797 N -8.44 4.00 0.31 3.16 1.43 -0.78 -5.03 118.68 113.34 2wmk s LEU 797 Ca -0.05 1.34 -0.05 0.00 -1.03 0.00 0.00 54.13 54.34 2wmk s LEU 797 Cb 0.16 -4.16 -0.05 0.00 0.03 0.00 0.00 46.19 42.17 2wmk s LEU 797 CO 0.63 -0.27 0.58 -0.54 0.23 0.00 0.00 176.35 176.98 2wmk s LYS 798 N -3.17 3.63 -0.51 1.70 1.02 -1.26 -4.95 119.74 116.20 2wmk s LYS 798 Ca 0.55 0.03 0.05 0.00 0.02 0.00 0.00 55.97 56.62 2wmk s LYS 798 Cb -0.10 -2.61 0.38 0.00 -0.52 0.00 0.00 37.83 34.98 2wmk s LYS 798 CO 0.19 0.16 1.03 0.25 -0.92 0.00 0.00 175.35 176.06 2wmk n THR 799 N -1.11 2.70 0.00 2.17 -2.24 -1.26 -5.15 114.28 109.39 2wmk n THR 799 Ca -0.01 -5.25 0.00 0.00 -2.27 0.00 0.00 64.05 56.52 2wmk n THR 799 Cb 0.54 -1.31 0.00 0.00 -2.10 0.00 0.00 70.33 67.46 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 -0.35 0.00 -0.79 3.42 5.75 -1.26 -5.15 116.55 118.17 2wmk n ASP 800 Ca 0.35 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 55.13 2wmk n ASP 800 Cb 0.53 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.62 2wmk n ASP 800 CO 0.00 0.00 0.00 -0.38 -0.11 0.00 0.00 177.20 176.71 2wmk n ILE 813 N -0.46 -4.11 -3.27 2.12 5.41 -1.26 -5.22 119.36 112.57 2wmk n ILE 813 Ca 0.00 0.95 -0.41 0.00 1.00 0.00 0.00 62.75 64.30 2wmk n ILE 813 Cb 0.00 -2.46 -0.08 0.00 -0.71 0.00 0.00 39.64 36.39 2wmk n ILE 813 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 2wmk s GLN 814 N -2.83 3.79 -0.28 0.38 -0.21 -0.52 -4.96 119.66 115.02 2wmk s GLN 814 Ca 0.00 -0.03 -0.22 0.00 0.02 0.00 0.00 55.36 55.13 2wmk s GLN 814 Cb 0.00 -3.75 -0.01 0.00 1.00 0.00 0.00 33.01 30.25 2wmk s GLN 814 CO 0.00 -0.51 0.70 0.42 -2.12 0.00 0.00 175.29 173.78 2wmk s ILE 815 N 2.30 4.90 -0.09 1.08 1.01 -1.26 -1.15 121.20 127.99 2wmk s ILE 815 Ca 0.18 1.12 0.03 0.00 0.00 0.00 0.00 60.65 61.99 2wmk s ILE 815 Cb -0.16 -4.03 0.01 0.00 0.01 0.00 0.00 42.46 38.28 2wmk s ILE 815 CO 0.12 -0.11 -0.20 -0.54 0.00 0.00 0.00 174.94 174.21 2wmk s LYS 816 N 2.70 2.60 0.31 2.79 -0.14 -0.16 -4.96 119.74 122.88 2wmk s LYS 816 Ca 0.29 -0.72 -0.29 0.00 -1.36 0.00 0.00 55.97 53.88 2wmk s LYS 816 Cb -0.15 -2.02 -0.10 0.00 -1.68 0.00 0.00 37.83 33.88 2wmk s LYS 816 CO 0.10 0.11 1.38 -1.21 -0.76 0.00 0.00 175.35 174.98 2wmk s GLU 817 N 0.50 4.28 0.64 1.68 0.41 -1.26 -0.64 118.70 124.31 2wmk s GLU 817 Ca -0.16 2.31 0.43 0.00 -0.41 0.00 0.00 54.97 57.13 2wmk s GLU 817 Cb -0.17 -3.07 2.33 0.00 -1.78 0.00 0.00 34.13 31.44 2wmk s GLU 817 CO 0.06 -0.33 2.32 0.97 -0.49 0.00 0.00 175.26 177.79 2wmk h ILE 818 N 3.21 0.00 -0.01 -1.63 2.10 -1.41 -0.43 117.51 119.34 2wmk h ILE 818 Ca -0.48 -0.01 0.00 0.00 1.08 0.00 0.00 64.86 65.45 2wmk h ILE 818 Cb 1.23 0.97 0.00 0.00 -1.09 0.00 0.00 36.82 37.92 2wmk h ILE 818 CO 0.70 0.00 -0.08 0.35 -1.08 0.00 0.00 178.15 178.04 2wmk n THR 819 N -3.01 0.00 -1.51 2.19 -2.24 -1.26 -4.74 114.28 103.70 2wmk n THR 819 Ca -0.03 -0.13 -0.41 0.00 -2.27 0.00 0.00 64.05 61.21 2wmk n THR 819 Cb 0.07 0.13 0.01 0.00 -2.10 0.00 0.00 70.33 68.44 2wmk n THR 819 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2wmk n SER 820 N -0.53 -0.11 0.01 3.42 7.64 -0.17 -4.90 113.62 118.98 2wmk n SER 820 Ca 0.17 0.94 0.12 0.00 1.01 0.00 0.00 58.87 61.12 2wmk n SER 820 Cb 0.29 -1.20 0.56 0.00 -1.01 0.00 0.00 64.21 62.85 2wmk n SER 820 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 2wmk h PRO 821 N 1.01 0.24 -0.10 1.43 0.11 -1.92 -2.02 132.00 130.75 2wmk h PRO 821 Ca -0.42 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.71 2wmk h PRO 821 Cb 1.38 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.43 2wmk h PRO 821 CO 0.53 0.16 0.19 0.93 -0.21 0.00 0.00 178.00 179.60 2wmk h GLU 822 N 0.25 0.00 -0.14 1.05 3.07 -1.90 -2.53 114.58 114.37 2wmk h GLU 822 Ca 0.21 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.07 2wmk h GLU 822 Cb 0.50 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.41 2wmk h GLU 822 CO -0.04 0.00 0.00 1.19 -1.40 0.00 0.00 179.01 178.76 2wmk n PHE 823 N -3.43 0.17 0.29 4.33 3.72 -0.76 -1.48 117.46 120.31 2wmk n PHE 823 Ca -0.00 -0.16 0.14 0.00 -0.05 0.00 0.00 57.45 57.38 2wmk n PHE 823 Cb 0.29 -0.01 0.87 0.00 -0.94 0.00 0.00 39.48 39.69 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 2.48 0.00 -5.29 4.37 4.64 -1.49 -3.45 113.55 114.81 2wmk h SER 824 Ca 0.00 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 2wmk h SER 824 Cb 0.61 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.61 2wmk h SER 824 CO 0.00 0.00 -0.18 -0.94 -0.87 0.00 0.00 176.83 174.85 2wmk s SER 825 N -6.31 -0.01 0.15 4.97 1.04 -1.26 -5.04 113.70 107.23 2wmk s SER 825 Ca -0.05 -1.01 -0.17 0.00 0.48 0.00 0.00 55.95 55.19 2wmk s SER 825 Cb 0.15 0.57 0.02 0.00 0.10 0.00 0.00 66.02 66.87 2wmk s SER 825 CO 0.57 -1.12 1.76 0.74 0.98 0.00 0.00 173.24 176.17 2wmk h THR 826 N 2.29 0.94 -0.37 2.02 2.02 -1.92 -1.93 112.91 115.95 2wmk h THR 826 Ca -0.27 -0.10 -0.11 0.00 0.77 0.00 0.00 66.41 66.70 2wmk h THR 826 Cb 1.25 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 68.29 2wmk h THR 826 CO 0.38 0.05 -0.18 1.56 0.37 0.00 0.00 175.52 177.69 2wmk h GLN 827 N 0.28 0.79 -0.72 6.66 1.08 -1.95 -2.24 115.11 119.01 2wmk h GLN 827 Ca 0.14 -0.35 0.08 0.00 -1.45 0.00 0.00 58.65 57.07 2wmk h GLN 827 Cb 0.09 -0.02 -0.06 0.00 -0.05 0.00 0.00 27.48 27.43 2wmk h GLN 827 CO -0.13 0.97 0.39 0.00 -0.95 0.00 0.00 178.83 179.11 2wmk h ALA 828 N 0.80 0.99 0.08 3.87 0.00 -1.77 -1.12 119.26 122.12 2wmk h ALA 828 Ca 0.08 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.03 2wmk h ALA 828 Cb 0.73 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2wmk h ALA 828 CO 0.06 0.03 -0.11 0.00 0.00 0.00 0.00 179.25 179.23 2wmk h ARG 829 N 0.69 -0.22 -0.44 0.00 3.08 -0.43 -2.02 114.38 115.03 2wmk h ARG 829 Ca 0.34 0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.38 2wmk h ARG 829 Cb 0.29 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.37 2wmk h ARG 829 CO -0.23 -0.15 0.16 0.87 -1.07 0.00 0.00 179.97 179.56 2wmk h LYS 830 N -0.23 0.67 -0.48 0.04 1.57 -1.14 -0.90 116.57 116.11 2wmk h LYS 830 Ca 0.01 -0.13 0.04 0.00 -1.87 0.00 0.00 60.65 58.71 2wmk h LYS 830 Cb 0.24 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.40 2wmk h LYS 830 CO -0.05 0.63 0.23 1.49 -0.57 0.00 0.00 179.45 181.18 2wmk h GLU 831 N 0.57 0.45 -0.19 3.15 4.81 -1.09 0.48 114.58 122.77 2wmk h GLU 831 Ca 0.15 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.30 2wmk h GLU 831 Cb 0.22 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 2wmk h GLU 831 CO -0.01 0.30 -0.08 -0.92 -0.73 0.00 0.00 179.01 177.57 2wmk h TYR 832 N 0.46 0.46 -0.58 0.92 3.20 -1.19 -3.08 116.97 117.15 2wmk h TYR 832 Ca 0.21 -0.11 -0.10 0.00 3.14 0.00 0.00 58.73 61.87 2wmk h TYR 832 Cb 0.13 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.27 2wmk h TYR 832 CO -0.11 0.68 -0.03 -0.07 -1.64 0.00 0.00 178.16 177.00 2wmk h LEU 833 N 0.10 1.02 -2.36 2.82 3.38 -0.82 -2.95 115.31 116.49 2wmk h LEU 833 Ca 0.04 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 2wmk h LEU 833 Cb 0.56 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 2wmk h LEU 833 CO 0.03 1.08 -0.03 0.78 0.09 0.00 0.00 178.44 180.39 2wmk h ASN 834 N 0.94 0.00 0.83 -0.43 2.35 0.00 0.10 115.58 119.38 2wmk h ASN 834 Ca 0.16 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.78 2wmk h ASN 834 Cb 0.58 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.93 2wmk h ASN 834 CO 0.03 0.03 -0.64 0.11 -1.65 0.00 0.00 177.43 175.32 2wmk h LYS 835 N 0.00 0.00 0.00 0.81 1.57 -1.43 -3.36 116.57 114.16 2wmk h LYS 835 Ca -0.00 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.59 2wmk h LYS 835 Cb 0.10 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.37 2wmk h LYS 835 CO 0.00 0.64 -2.17 1.28 -0.57 0.00 0.00 179.45 178.63 2wmk n LEU 836 N -3.59 0.00 -4.07 2.94 4.77 -0.46 -4.80 117.00 111.79 2wmk n LEU 836 Ca -0.00 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.65 2wmk n LEU 836 Cb 0.67 0.25 -0.14 0.00 -2.33 0.00 0.00 43.42 41.88 2wmk n LEU 836 CO 0.42 0.25 -0.30 -0.31 -1.33 0.00 0.00 177.39 176.12 2wmk s TYR 837 N -2.96 3.60 0.56 -1.77 2.02 0.23 -4.94 117.35 114.10 2wmk s TYR 837 Ca -0.09 -2.63 -0.18 0.00 -0.37 0.00 0.00 57.07 53.80 2wmk s TYR 837 Cb 0.10 -2.80 -0.05 0.00 -0.40 0.00 0.00 41.96 38.80 2wmk s TYR 837 CO 0.85 -0.93 1.07 -1.25 -1.57 0.00 0.00 175.55 173.72 2wmk s PRO 838 N 1.03 3.40 0.11 -1.71 0.04 -1.26 -4.48 135.00 132.13 2wmk s PRO 838 Ca 0.06 1.36 -0.31 0.00 0.04 0.00 0.00 61.00 62.15 2wmk s PRO 838 Cb -0.20 -2.03 -0.09 0.00 0.04 0.00 0.00 34.50 32.21 2wmk s PRO 838 CO -0.06 -0.77 1.71 1.41 0.04 0.00 0.00 177.00 179.34 2wmk s MET 839 N -3.66 4.17 -0.03 4.56 1.75 -1.26 -4.89 119.30 119.95 2wmk s MET 839 Ca 0.67 2.44 0.04 0.00 -1.25 0.00 0.00 55.69 57.59 2wmk s MET 839 Cb -0.18 -3.51 0.06 0.00 2.84 0.00 0.00 34.83 34.04 2wmk s MET 839 CO 0.30 -0.76 0.94 0.27 -0.65 0.00 0.00 175.02 175.13 2wmk n ASN 840 N 5.32 1.57 -3.85 1.11 6.94 -1.26 -5.05 115.26 120.04 2wmk n ASN 840 Ca 0.16 -2.04 -0.08 0.00 -0.02 0.00 0.00 54.58 52.60 2wmk n ASN 840 Cb 0.39 -0.10 -0.03 0.00 -2.36 0.00 0.00 39.78 37.68 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 -1.13 -0.09 0.11 -2.53 -0.85 -1.26 -4.75 117.35 106.84 2wmk s TYR 841 Ca 0.06 -0.32 0.09 0.00 -0.52 0.00 0.00 57.07 56.38 2wmk s TYR 841 Cb 0.06 0.57 -0.04 0.00 0.38 0.00 0.00 41.96 42.93 2wmk s TYR 841 CO 0.01 -1.14 -0.20 -1.21 -1.52 0.00 0.00 175.55 171.48 2wmk s GLU 842 N -3.93 1.75 0.00 -3.49 2.02 -0.81 -5.00 118.70 109.24 2wmk s GLU 842 Ca 0.13 -1.18 0.00 0.00 0.02 0.00 0.00 54.97 53.93 2wmk s GLU 842 Cb -0.04 -2.08 0.00 0.00 0.10 0.00 0.00 34.13 32.10 2wmk s GLU 842 CO 0.06 0.48 0.00 0.41 0.02 0.00 0.00 175.26 176.23 2wmk n GLY 843 N 0.92 2.99 3.49 -1.39 0.00 -1.26 -0.49 105.19 109.45 2wmk n GLY 843 Ca -0.16 -1.72 -0.43 0.00 0.00 0.00 0.00 46.02 43.71 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 6.78 -0.08 1.61 2.15 -1.17 -4.89 116.67 121.07 2wmk s ASP 844 Ca 0.00 -2.32 -0.30 0.00 0.43 0.00 0.00 52.55 50.36 2wmk s ASP 844 Cb 0.00 -2.45 0.11 0.00 -0.30 0.00 0.00 42.92 40.29 2wmk s ASP 844 CO 0.00 -1.04 0.94 -0.51 -0.17 0.00 0.00 175.17 174.40 2wmk s ILE 845 N 2.83 0.00 0.01 4.11 2.07 -1.26 -4.19 121.20 124.77 2wmk s ILE 845 Ca 0.40 0.00 -0.29 0.00 -1.41 0.00 0.00 60.65 59.35 2wmk s ILE 845 Cb -0.02 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.53 2wmk s ILE 845 CO -0.04 0.00 0.93 0.12 -1.91 0.00 0.00 174.94 174.04 2wmk s PHE 846 N -2.20 3.68 -0.11 3.50 5.36 -0.79 -4.52 117.98 122.91 2wmk s PHE 846 Ca 0.02 1.65 -0.14 0.00 -0.96 0.00 0.00 56.93 57.51 2wmk s PHE 846 Cb -0.01 -3.06 0.03 0.00 -0.34 0.00 0.00 43.02 39.65 2wmk s PHE 846 CO -0.04 0.05 0.36 0.00 -1.46 0.00 0.00 175.22 174.13 2wmk s ALA 847 N 0.76 -0.89 -0.04 11.12 0.00 -1.26 -1.27 121.76 130.17 2wmk s ALA 847 Ca 0.49 0.87 -0.05 0.00 0.00 0.00 0.00 51.96 53.27 2wmk s ALA 847 Cb -0.21 -0.43 0.01 0.00 0.00 0.00 0.00 23.12 22.49 2wmk s ALA 847 CO 0.27 -0.20 0.13 -1.14 0.00 0.00 0.00 175.76 174.82 2wmk s GLN 848 N -0.20 0.19 -0.10 0.00 0.74 -0.37 -2.53 119.66 117.39 2wmk s GLN 848 Ca -0.03 0.12 -0.02 0.00 0.05 0.00 0.00 55.36 55.48 2wmk s GLN 848 Cb -0.03 0.09 -0.03 0.00 1.10 0.00 0.00 33.01 34.13 2wmk s GLN 848 CO 0.02 -0.03 -0.02 0.21 -0.55 0.00 0.00 175.29 174.92 2wmk s LYS 849 N -0.08 3.08 -0.06 1.67 2.20 -1.26 -0.76 119.74 124.52 2wmk s LYS 849 Ca -0.02 -0.47 0.01 0.00 -0.36 0.00 0.00 55.97 55.14 2wmk s LYS 849 Cb -0.02 -2.77 0.02 0.00 -1.51 0.00 0.00 37.83 33.55 2wmk s LYS 849 CO 0.00 0.59 -0.06 -0.51 -0.36 0.00 0.00 175.35 175.01 2wmk s LEU 850 N -0.59 1.28 0.00 5.43 1.43 -0.37 -5.00 118.68 120.86 2wmk s LEU 850 Ca 0.09 -0.19 0.00 0.00 -1.03 0.00 0.00 54.13 53.00 2wmk s LEU 850 Cb -0.12 -0.60 0.00 0.00 0.03 0.00 0.00 46.19 45.50 2wmk s LEU 850 CO 0.02 -0.06 0.00 -0.90 0.23 0.00 0.00 176.35 175.64 2wmk n ASP 851 N 4.28 0.00 -1.43 2.29 5.75 -1.26 -0.58 116.55 125.60 2wmk n ASP 851 Ca -0.20 0.00 0.03 0.00 -0.01 0.00 0.00 54.79 54.62 2wmk n ASP 851 Cb 0.51 0.00 0.26 0.00 -1.03 0.00 0.00 41.12 40.86 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 2.49 4.07 -4.08 -1.12 5.03 -1.26 -4.91 115.26 115.47 2wmk n ASN 852 Ca 0.00 -2.63 -0.27 0.00 0.87 0.00 0.00 54.58 52.55 2wmk n ASN 852 Cb 0.00 -0.63 -0.17 0.00 -1.02 0.00 0.00 39.78 37.97 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 -2.15 2.07 -0.21 3.52 0.52 0.26 -1.04 118.95 121.92 2wmk s ARG 853 Ca 0.36 -0.55 -0.08 0.00 -0.52 0.00 0.00 55.73 54.94 2wmk s ARG 853 Cb 0.27 -1.65 -0.04 0.00 0.52 0.00 0.00 34.95 34.05 2wmk s ARG 853 CO 0.10 0.07 0.09 -1.58 0.02 0.00 0.00 175.30 174.00 2wmk s TRP 854 N 0.56 3.24 -0.19 -0.53 0.52 0.07 -1.23 118.94 121.38 2wmk s TRP 854 Ca -0.16 0.04 -0.05 0.00 0.02 0.00 0.00 56.10 55.95 2wmk s TRP 854 Cb -0.16 -2.15 -0.03 0.00 -1.15 0.00 0.00 33.47 29.98 2wmk s TRP 854 CO 0.05 0.06 0.01 -0.06 0.02 0.00 0.00 176.95 177.03 2wmk s PHE 855 N 0.72 3.09 -0.00 -1.98 0.08 0.06 -0.86 117.98 119.09 2wmk s PHE 855 Ca 0.05 -0.26 0.03 0.00 0.12 0.00 0.00 56.93 56.87 2wmk s PHE 855 Cb -0.13 -2.06 -0.01 0.00 -0.57 0.00 0.00 43.02 40.25 2wmk s PHE 855 CO 0.02 -0.08 -0.10 0.08 -0.10 0.00 0.00 175.22 175.03 2wmk s VAL 856 N 0.69 0.82 0.06 -0.44 1.01 0.02 -1.24 120.40 121.32 2wmk s VAL 856 Ca 0.01 -0.48 -0.12 0.00 0.00 0.00 0.00 61.98 61.39 2wmk s VAL 856 Cb -0.14 -0.69 0.01 0.00 0.00 0.00 0.00 36.38 35.56 2wmk s VAL 856 CO 0.02 0.21 0.27 -0.72 0.00 0.00 0.00 175.10 174.88 2wmk s TYR 857 N -0.29 -0.04 -0.06 5.22 -0.85 -0.40 -0.95 117.35 119.99 2wmk s TYR 857 Ca 0.04 -0.20 -0.30 0.00 -0.52 0.00 0.00 57.07 56.09 2wmk s TYR 857 Cb -0.04 0.06 -0.03 0.00 0.38 0.00 0.00 41.96 42.33 2wmk s TYR 857 CO -0.00 -0.52 1.12 1.21 -1.52 0.00 0.00 175.55 175.84 2wmk s ASN 858 N -2.31 7.14 0.00 -0.18 3.84 -1.04 -1.88 114.94 120.51 2wmk s ASN 858 Ca -0.02 1.72 0.28 0.00 0.21 0.00 0.00 52.86 55.04 2wmk s ASN 858 Cb 0.01 -2.56 0.96 0.00 -0.55 0.00 0.00 41.25 39.11 2wmk s ASN 858 CO -0.06 -0.51 1.69 0.00 -2.79 0.00 0.00 177.10 175.44 2wmk n TYR 859 N 4.97 0.00 -1.93 0.43 0.18 -1.26 -4.30 117.16 115.25 2wmk n TYR 859 Ca 0.10 0.00 -0.40 0.00 1.88 0.00 0.00 57.90 59.48 2wmk n TYR 859 Cb 0.47 -0.00 -0.00 0.00 -0.38 0.00 0.00 39.34 39.43 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 -2.02 4.00 -0.21 -3.48 -0.14 -1.26 -4.91 119.74 111.72 2wmk s LYS 860 Ca 0.37 2.35 -0.16 0.00 -1.36 0.00 0.00 55.97 57.16 2wmk s LYS 860 Cb 0.21 -2.84 -0.08 0.00 -1.68 0.00 0.00 37.83 33.44 2wmk s LYS 860 CO 0.34 -0.54 -0.32 0.28 -0.76 0.00 0.00 175.35 174.35 2wmk n VAL 861 N 0.24 1.50 -2.49 3.17 0.31 -1.26 -4.49 118.33 115.32 2wmk n VAL 861 Ca 0.03 -0.03 0.03 0.00 -0.01 0.00 0.00 64.34 64.36 2wmk n VAL 861 Cb 0.42 -2.19 0.04 0.00 -0.91 0.00 0.00 33.84 31.19 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 -4.40 1.16 -4.08 4.52 4.05 -1.26 -4.98 115.26 110.26 2wmk n ASN 862 Ca -0.27 -2.13 -0.27 0.00 0.45 0.00 0.00 54.58 52.36 2wmk n ASN 862 Cb 0.62 -0.34 -0.17 0.00 1.23 0.00 0.00 39.78 41.13 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 -0.73 2.06 -1.31 1.20 8.01 -1.26 -4.24 118.70 122.44 2wmk s GLU 863 Ca 0.33 -0.54 -0.13 0.00 0.01 0.00 0.00 54.97 54.65 2wmk s GLU 863 Cb 0.38 -1.65 0.12 0.00 -4.31 0.00 0.00 34.13 28.67 2wmk s GLU 863 CO -0.14 0.07 1.82 -1.71 0.01 0.00 0.00 175.26 175.30 2wmk n ASN 864 N 3.74 4.82 -4.07 -0.19 5.15 -1.26 -4.83 115.26 118.62 2wmk n ASN 864 Ca -0.22 -2.98 -0.28 0.00 -0.60 0.00 0.00 54.58 50.51 2wmk n ASN 864 Cb 0.52 -1.60 -0.17 0.00 -0.53 0.00 0.00 39.78 38.01 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 2.08 1.45 0.51 3.44 1.01 -1.26 -5.02 120.40 122.60 2wmk s VAL 865 Ca 0.45 -0.64 -0.19 0.00 0.00 0.00 0.00 61.98 61.60 2wmk s VAL 865 Cb 0.06 -1.31 -0.07 0.00 0.00 0.00 0.00 36.38 35.06 2wmk s VAL 865 CO -0.00 0.43 1.03 -0.54 0.00 0.00 0.00 175.10 176.02 2wmk s LYS 866 N 0.76 3.73 0.08 2.72 1.02 -1.26 -4.01 119.74 122.77 2wmk s LYS 866 Ca -0.12 1.26 0.04 0.00 0.02 0.00 0.00 55.97 57.17 2wmk s LYS 866 Cb -0.16 -2.09 -0.03 0.00 -0.52 0.00 0.00 37.83 35.03 2wmk s LYS 866 CO 0.02 -0.48 -0.12 -0.65 -0.92 0.00 0.00 175.35 173.21 2wmk s GLN 867 N -3.52 0.79 0.05 1.68 -0.21 -0.18 -4.98 119.66 113.28 2wmk s GLN 867 Ca 0.65 -1.02 0.03 0.00 0.02 0.00 0.00 55.36 55.04 2wmk s GLN 867 Cb -0.15 -0.63 -0.02 0.00 1.00 0.00 0.00 33.01 33.20 2wmk s GLN 867 CO 0.25 0.12 -0.10 0.95 -2.12 0.00 0.00 175.29 174.39 2wmk s THR 868 N -1.79 0.72 0.19 -0.19 -4.23 -1.26 -0.75 115.64 108.34 2wmk s THR 868 Ca 0.00 -1.06 -0.10 0.00 -1.18 0.00 0.00 61.69 59.34 2wmk s THR 868 Cb -0.07 -0.74 -0.00 0.00 1.34 0.00 0.00 72.50 73.03 2wmk s THR 868 CO 0.01 -0.27 0.35 -0.83 -0.54 0.00 0.00 174.62 173.34 2wmk s GLY 869 N -1.47 0.47 -0.10 3.99 0.00 -0.76 -3.06 107.32 106.39 2wmk s GLY 869 Ca -0.06 -0.84 0.00 0.00 0.00 0.00 0.00 44.72 43.82 2wmk s GLY 869 CO 0.01 -0.75 -0.08 1.25 0.00 0.00 0.00 173.10 173.53 2wmk s LYS 870 N -3.98 1.53 0.09 2.90 2.20 0.36 -1.32 119.74 121.52 2wmk s LYS 870 Ca 0.18 -0.27 0.09 0.00 -0.36 0.00 0.00 55.97 55.61 2wmk s LYS 870 Cb 0.02 -1.53 -0.03 0.00 -1.51 0.00 0.00 37.83 34.77 2wmk s LYS 870 CO 0.02 -0.22 -0.23 -0.51 -0.36 0.00 0.00 175.35 174.05 2wmk s LEU 871 N 1.53 2.26 -0.02 5.43 2.01 0.69 -1.93 118.68 128.65 2wmk s LEU 871 Ca 0.02 -0.65 0.06 0.00 0.01 0.00 0.00 54.13 53.57 2wmk s LEU 871 Cb -0.13 -1.04 -0.02 0.00 0.01 0.00 0.00 46.19 45.01 2wmk s LEU 871 CO -0.06 0.14 -0.21 -0.54 1.01 0.00 0.00 176.35 176.69 2wmk s LYS 872 N -1.69 1.70 -0.42 1.70 1.02 -1.26 -0.45 119.74 120.34 2wmk s LYS 872 Ca 0.09 -0.74 0.03 0.00 0.02 0.00 0.00 55.97 55.37 2wmk s LYS 872 Cb -0.10 -1.64 0.11 0.00 -0.52 0.00 0.00 37.83 35.69 2wmk s LYS 872 CO 0.04 0.45 0.15 -0.06 -0.92 0.00 0.00 175.35 175.00 2wmk s PHE 873 N -0.48 3.54 0.00 3.18 0.08 -0.34 -5.02 117.98 118.93 2wmk s PHE 873 Ca 0.08 -3.02 0.00 0.00 0.12 0.00 0.00 56.93 54.11 2wmk s PHE 873 Cb -0.08 -2.92 0.00 0.00 -0.57 0.00 0.00 43.02 39.45 2wmk s PHE 873 CO -0.01 -0.87 0.00 0.09 -0.10 0.00 0.00 175.22 174.33 2wmk n ASN 874 N 3.83 0.00 0.02 1.36 4.13 -1.26 -1.09 115.26 122.26 2wmk n ASN 874 Ca 0.04 0.00 0.12 0.00 1.68 0.00 0.00 54.58 56.42 2wmk n ASN 874 Cb 0.38 0.00 0.26 0.00 -1.54 0.00 0.00 39.78 38.89 2wmk n ASN 874 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 2wmk n SER 875 N 6.80 0.52 -4.70 6.41 2.88 -1.26 -4.82 113.62 119.46 2wmk n SER 875 Ca 0.00 -0.02 -0.41 0.00 -1.33 0.00 0.00 58.87 57.12 2wmk n SER 875 Cb 0.00 0.12 -0.04 0.00 -0.75 0.00 0.00 64.21 63.54 2wmk n SER 875 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 2wmk s LEU 876 N -3.48 4.27 -0.11 2.46 2.96 -0.25 -4.84 118.68 119.70 2wmk s LEU 876 Ca 0.10 1.24 0.01 0.00 -0.22 0.00 0.00 54.13 55.25 2wmk s LEU 876 Cb 0.16 -3.20 -0.02 0.00 0.50 0.00 0.00 46.19 43.64 2wmk s LEU 876 CO 0.69 -0.24 -0.14 -0.70 -1.32 0.00 0.00 176.35 174.64 2wmk s GLU 877 N 1.34 3.17 -0.10 1.98 2.12 -1.24 -1.20 118.70 124.78 2wmk s GLU 877 Ca 0.39 -0.70 0.00 0.00 0.36 0.00 0.00 54.97 55.03 2wmk s GLU 877 Cb -0.18 -2.55 0.02 0.00 0.26 0.00 0.00 34.13 31.68 2wmk s GLU 877 CO 0.17 0.30 -0.09 1.41 -0.54 0.00 0.00 175.26 176.52 2wmk s MET 878 N 0.12 1.53 -0.01 4.30 -2.45 0.41 -0.82 119.30 122.38 2wmk s MET 878 Ca -0.07 -0.28 -0.04 0.00 -1.25 0.00 0.00 55.69 54.04 2wmk s MET 878 Cb -0.15 -1.50 -0.04 0.00 1.25 0.00 0.00 34.83 34.39 2wmk s MET 878 CO 0.05 -0.18 0.21 -0.80 1.05 0.00 0.00 175.02 175.34 2wmk s ASN 879 N 1.41 6.41 0.07 1.11 0.01 0.69 -0.22 114.94 124.42 2wmk s ASN 879 Ca -0.01 0.43 0.06 0.00 -0.71 0.00 0.00 52.86 52.63 2wmk s ASN 879 Cb -0.13 -2.04 -0.03 0.00 0.41 0.00 0.00 41.25 39.46 2wmk s ASN 879 CO -0.05 0.27 -0.15 0.68 -1.51 0.00 0.00 177.10 176.34 2wmk s VAL 880 N -1.29 1.22 -0.11 1.60 -7.23 -0.43 -0.24 120.40 113.91 2wmk s VAL 880 Ca 0.26 -1.27 0.01 0.00 -1.81 0.00 0.00 61.98 59.18 2wmk s VAL 880 Cb -0.13 -1.14 0.02 0.00 0.56 0.00 0.00 36.38 35.69 2wmk s VAL 880 CO 0.16 -0.14 -0.13 -0.70 -0.31 0.00 0.00 175.10 173.99 2wmk s GLU 881 N -1.61 2.01 -0.05 4.82 2.12 0.10 -1.83 118.70 124.26 2wmk s GLU 881 Ca 0.00 -0.47 0.06 0.00 0.36 0.00 0.00 54.97 54.92 2wmk s GLU 881 Cb -0.09 -1.79 -0.01 0.00 0.26 0.00 0.00 34.13 32.50 2wmk s GLU 881 CO 0.02 -0.12 -0.23 -0.06 -0.54 0.00 0.00 175.26 174.33 2wmk s PHE 882 N 1.18 2.19 0.86 5.30 0.40 0.07 -1.91 117.98 126.07 2wmk s PHE 882 Ca -0.03 -0.60 -0.12 0.00 -0.60 0.00 0.00 56.93 55.58 2wmk s PHE 882 Cb -0.14 -1.44 0.11 0.00 0.51 0.00 0.00 43.02 42.06 2wmk s PHE 882 CO -0.04 -0.17 1.15 -1.21 0.70 0.00 0.00 175.22 175.66 2wmk s GLU 883 N -0.20 1.57 0.83 0.44 2.02 -1.26 -1.01 118.70 121.08 2wmk s GLU 883 Ca -0.01 0.24 -0.13 0.00 0.02 0.00 0.00 54.97 55.09 2wmk s GLU 883 Cb -0.12 -1.89 0.07 0.00 0.10 0.00 0.00 34.13 32.28 2wmk s GLU 883 CO 0.02 -1.90 0.99 -2.30 0.02 0.00 0.00 175.26 172.09 2wmk n PRO 884 N -3.55 0.07 -3.44 0.39 -0.02 -1.26 -3.59 135.00 123.60 2wmk n PRO 884 Ca 0.07 0.09 -0.18 0.00 -2.02 0.00 0.00 63.50 61.47 2wmk n PRO 884 Cb 0.60 -2.26 0.07 0.00 -0.02 0.00 0.00 33.50 31.89 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 -3.30 -2.20 -3.72 6.00 8.25 -1.26 -5.01 115.22 113.98 2wmk n HIS 885 Ca 0.12 0.89 -0.16 0.00 -0.26 0.00 0.00 57.72 58.31 2wmk n HIS 885 Cb 0.51 -4.70 -0.16 0.00 1.12 0.00 0.00 29.99 26.76 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 -3.42 -0.11 0.14 1.59 2.01 -1.24 -4.39 115.64 110.22 2wmk s THR 886 Ca 0.12 0.27 0.07 0.00 0.31 0.00 0.00 61.69 62.47 2wmk s THR 886 Cb -0.02 -0.20 -0.04 0.00 0.01 0.00 0.00 72.50 72.26 2wmk s THR 886 CO 0.75 0.11 -0.17 -0.72 -0.69 0.00 0.00 174.62 173.91 2wmk s TYR 887 N 1.57 1.66 0.03 4.92 -0.85 0.03 -2.50 117.35 122.22 2wmk s TYR 887 Ca -0.04 -0.50 -0.02 0.00 -0.52 0.00 0.00 57.07 56.00 2wmk s TYR 887 Cb -0.12 -0.85 -0.02 0.00 0.38 0.00 0.00 41.96 41.35 2wmk s TYR 887 CO -0.05 0.25 -0.00 0.20 -1.52 0.00 0.00 175.55 174.44 2wmk s GLY 888 N -2.53 0.30 -0.12 5.49 0.00 -0.12 -0.75 107.32 109.59 2wmk s GLY 888 Ca 0.13 -0.79 0.01 0.00 0.00 0.00 0.00 44.72 44.07 2wmk s GLY 888 CO 0.05 -0.89 -0.14 -0.42 0.00 0.00 0.00 173.10 171.71 2wmk s ILE 889 N -2.55 1.44 -0.22 0.90 1.01 0.42 -0.80 121.20 121.40 2wmk s ILE 889 Ca -0.06 -0.58 0.02 0.00 0.00 0.00 0.00 60.65 60.03 2wmk s ILE 889 Cb -0.02 -1.35 0.04 0.00 0.01 0.00 0.00 42.46 41.14 2wmk s ILE 889 CO -0.05 0.43 -0.15 -0.36 0.00 0.00 0.00 174.94 174.82 2wmk s PHE 890 N 1.28 3.01 -0.19 3.97 0.08 -0.04 -1.26 117.98 124.83 2wmk s PHE 890 Ca -0.01 -2.00 -0.02 0.00 0.12 0.00 0.00 56.93 55.03 2wmk s PHE 890 Cb -0.14 -1.91 -0.00 0.00 -0.57 0.00 0.00 43.02 40.40 2wmk s PHE 890 CO -0.06 -0.84 -0.10 -2.00 -0.10 0.00 0.00 175.22 172.12 2wmk s GLU 891 N 1.20 3.29 -0.05 0.44 2.12 0.36 -0.75 118.70 125.31 2wmk s GLU 891 Ca -0.03 -0.69 -0.30 0.00 0.36 0.00 0.00 54.97 54.32 2wmk s GLU 891 Cb -0.17 -2.83 -0.05 0.00 0.26 0.00 0.00 34.13 31.34 2wmk s GLU 891 CO -0.09 -0.12 1.48 0.50 -0.54 0.00 0.00 175.26 176.50 2wmk s ARG 892 N 1.21 4.23 0.41 4.30 6.06 -0.21 -1.05 118.95 133.90 2wmk s ARG 892 Ca 0.02 2.00 0.07 0.00 -2.50 0.00 0.00 55.73 55.33 2wmk s ARG 892 Cb -0.14 -3.77 -0.06 0.00 0.06 0.00 0.00 34.95 31.03 2wmk s ARG 892 CO -0.04 -0.71 0.10 0.96 -2.50 0.00 0.00 175.30 173.11 2wmk s ILE 893 N 3.26 2.20 0.32 4.11 -4.36 -0.62 -4.93 121.20 121.18 2wmk s ILE 893 Ca 0.66 -1.84 0.03 0.00 -0.26 0.00 0.00 60.65 59.24 2wmk s ILE 893 Cb -0.30 -2.99 0.28 0.00 1.25 0.00 0.00 42.46 40.70 2wmk s ILE 893 CO 0.25 -0.01 1.93 0.77 0.24 0.00 0.00 174.94 178.12 2wmk h SER 894 N 1.59 0.82 -0.36 4.36 4.64 -2.00 -2.51 113.55 120.08 2wmk h SER 894 Ca -0.43 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 2wmk h SER 894 Cb 1.25 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 2wmk h SER 894 CO 0.74 0.52 0.00 -0.46 -0.87 0.00 0.00 176.83 176.77 2wmk n ASN 895 N -4.49 4.36 0.00 4.97 6.94 -1.26 -5.05 115.26 120.74 2wmk n ASN 895 Ca 0.13 -2.93 0.00 0.00 -0.02 0.00 0.00 54.58 51.76 2wmk n ASN 895 Cb 0.21 -0.57 0.00 0.00 -2.36 0.00 0.00 39.78 37.06 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 -0.11 -0.40 3.01 4.83 0.00 -0.95 -0.82 105.19 110.75 2wmk n GLY 896 Ca 0.23 -0.21 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 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 0.55 -0.15 0.99 2.96 -0.32 -1.59 118.68 121.13 2wmk s LEU 897 Ca 0.00 0.44 -0.13 0.00 -0.22 0.00 0.00 54.13 54.22 2wmk s LEU 897 Cb 0.00 0.61 -0.05 0.00 0.50 0.00 0.00 46.19 47.25 2wmk s LEU 897 CO 0.00 -0.16 0.29 -0.75 -1.32 0.00 0.00 176.35 174.42 2wmk s LYS 898 N 1.18 4.18 -0.12 1.98 2.36 -0.21 -0.39 119.74 128.72 2wmk s LYS 898 Ca -0.09 0.11 0.03 0.00 -2.55 0.00 0.00 55.97 53.47 2wmk s LYS 898 Cb -0.10 -3.40 0.01 0.00 -1.05 0.00 0.00 37.83 33.29 2wmk s LYS 898 CO -0.07 0.30 -0.21 0.08 1.55 0.00 0.00 175.35 177.00 2wmk s VAL 899 N 0.27 1.92 -0.14 4.02 1.01 0.64 -0.48 120.40 127.63 2wmk s VAL 899 Ca 0.17 -0.91 0.02 0.00 0.00 0.00 0.00 61.98 61.25 2wmk s VAL 899 Cb -0.13 -1.69 0.00 0.00 0.00 0.00 0.00 36.38 34.56 2wmk s VAL 899 CO 0.05 0.53 -0.19 0.20 0.00 0.00 0.00 175.10 175.68 2wmk s ASN 900 N 0.67 3.38 0.07 3.32 0.01 -0.39 -1.83 114.94 120.16 2wmk s ASN 900 Ca -0.12 -0.53 0.08 0.00 -0.71 0.00 0.00 52.86 51.59 2wmk s ASN 900 Cb -0.16 -1.49 -0.03 0.00 0.41 0.00 0.00 41.25 39.97 2wmk s ASN 900 CO 0.02 0.10 -0.23 -0.22 -1.51 0.00 0.00 177.10 175.27 2wmk s LEU 901 N 0.69 2.22 -0.14 0.60 2.96 0.66 -0.44 118.68 125.22 2wmk s LEU 901 Ca -0.09 -0.60 -0.04 0.00 -0.22 0.00 0.00 54.13 53.18 2wmk s LEU 901 Cb -0.16 -1.06 0.07 0.00 0.50 0.00 0.00 46.19 45.54 2wmk s LEU 901 CO 0.01 0.16 0.22 0.21 -1.32 0.00 0.00 176.35 175.64 2wmk s ASN 902 N -1.47 0.83 -0.14 3.68 3.84 0.08 -1.20 114.94 120.56 2wmk s ASN 902 Ca 0.09 0.23 0.19 0.00 0.21 0.00 0.00 52.86 53.58 2wmk s ASN 902 Cb -0.09 0.47 0.44 0.00 -0.55 0.00 0.00 41.25 41.52 2wmk s ASN 902 CO 0.03 -0.27 1.18 -0.46 -2.79 0.00 0.00 177.10 174.78 2wmk n ASN 903 N 5.33 1.73 -4.67 -4.21 6.94 -0.74 -0.79 115.26 118.86 2wmk n ASN 903 Ca -0.05 -2.72 -0.42 0.00 -0.02 0.00 0.00 54.58 51.36 2wmk n ASN 903 Cb 0.50 -0.40 -0.03 0.00 -2.36 0.00 0.00 39.78 37.49 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 -1.96 2.01 -0.27 -2.53 5.36 -1.21 -4.19 117.98 115.18 2wmk s PHE 904 Ca 0.36 0.15 -0.02 0.00 -0.96 0.00 0.00 56.93 56.46 2wmk s PHE 904 Cb 0.37 -3.96 0.16 0.00 -0.34 0.00 0.00 43.02 39.26 2wmk s PHE 904 CO -0.10 -4.04 0.50 0.50 -1.46 0.00 0.00 175.22 170.61 2wmk s ARG 905 N 3.73 0.47 0.69 10.12 3.52 -1.26 -1.32 118.95 134.90 2wmk s ARG 905 Ca 0.75 0.78 -0.07 0.00 -0.13 0.00 0.00 55.73 57.06 2wmk s ARG 905 Cb -0.36 0.07 0.05 0.00 -1.56 0.00 0.00 34.95 33.15 2wmk s ARG 905 CO 0.32 -0.64 1.01 0.95 -0.81 0.00 0.00 175.30 176.12 2wmk s THR 906 N 2.71 2.55 -0.23 4.11 -4.23 -1.26 -3.28 115.64 116.01 2wmk s THR 906 Ca 0.17 -0.18 -0.20 0.00 -1.18 0.00 0.00 61.69 60.31 2wmk s THR 906 Cb -0.15 -3.10 -0.02 0.00 1.34 0.00 0.00 72.50 70.57 2wmk s THR 906 CO -0.19 -0.11 0.58 0.21 -0.54 0.00 0.00 174.62 174.58 2wmk s ASN 907 N -4.48 6.57 0.00 3.99 3.84 -0.14 -4.63 114.94 120.09 2wmk s ASN 907 Ca 0.59 0.69 0.18 0.00 0.21 0.00 0.00 52.86 54.53 2wmk s ASN 907 Cb -0.11 -2.32 0.39 0.00 -0.55 0.00 0.00 41.25 38.67 2wmk s ASN 907 CO 0.45 -0.29 1.32 0.29 -2.79 0.00 0.00 177.10 176.08 2wmk n LYS 908 N 5.35 2.39 -0.05 0.43 4.76 -1.26 -4.57 118.16 125.21 2wmk n LYS 908 Ca -0.02 -2.16 0.09 0.00 -2.87 0.00 0.00 58.31 53.35 2wmk n LYS 908 Cb 0.50 -1.42 0.47 0.00 -1.84 0.00 0.00 35.03 32.74 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 3.51 0.40 -0.34 4.39 3.32 -1.97 -1.68 116.42 124.05 2wmk h ASP 909 Ca 0.00 0.00 0.09 0.00 0.02 0.00 0.00 57.03 57.14 2wmk h ASP 909 Cb 0.85 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.30 2wmk h ASP 909 CO 0.00 0.26 0.24 0.77 -1.72 0.00 0.00 179.24 178.80 2wmk h SER 910 N 0.46 0.05 0.55 6.45 4.64 -1.99 0.27 113.55 123.97 2wmk h SER 910 Ca 0.23 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.50 2wmk h SER 910 Cb 0.32 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.40 2wmk h SER 910 CO -0.06 0.03 -0.24 -0.07 -0.87 0.00 0.00 176.83 175.62 2wmk h LEU 911 N 0.05 0.00 -3.15 5.97 3.38 -1.66 -2.84 115.31 117.06 2wmk h LEU 911 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2wmk h LEU 911 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 2wmk h LEU 911 CO -0.01 0.24 0.00 0.79 0.09 0.00 0.00 178.44 179.55 2wmk n TRP 912 N -3.69 1.04 -1.43 1.13 7.02 0.87 -5.03 117.44 117.36 2wmk n TRP 912 Ca -0.01 -0.69 -0.36 0.00 -1.02 0.00 0.00 57.50 55.41 2wmk n TRP 912 Cb 0.36 -0.23 0.08 0.00 -2.42 0.00 0.00 31.31 29.09 2wmk n TRP 912 CO 0.00 0.00 0.00 0.43 -2.02 0.00 0.00 177.69 176.10 2wmk n SER 913 N 0.28 0.59 0.00 -0.99 7.64 -0.79 -3.07 113.62 117.29 2wmk n SER 913 Ca 0.20 0.70 0.00 0.00 1.01 0.00 0.00 58.87 60.78 2wmk n SER 913 Cb 0.79 -1.41 0.00 0.00 -1.01 0.00 0.00 64.21 62.58 2wmk n SER 913 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2wmk n ASN 914 N -1.52 -1.60 -3.98 6.43 3.02 -1.26 -4.98 115.26 111.37 2wmk n ASN 914 Ca 0.13 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.38 2wmk n ASN 914 Cb 0.49 -0.69 -0.16 0.00 -0.61 0.00 0.00 39.78 38.81 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 -2.73 2.06 -0.97 5.41 0.00 -1.17 -4.91 121.76 119.44 2wmk s ALA 915 Ca 0.00 -1.33 0.24 0.00 0.00 0.00 0.00 51.96 50.87 2wmk s ALA 915 Cb 0.00 -1.38 0.38 0.00 0.00 0.00 0.00 23.12 22.12 2wmk s ALA 915 CO 0.00 -1.01 1.33 1.04 0.00 0.00 0.00 175.76 177.12 2wmk n GLN 916 N 4.65 0.02 -3.93 0.00 1.13 -1.26 -4.80 117.38 113.18 2wmk n GLN 916 Ca -0.14 0.00 -0.09 0.00 -1.94 0.00 0.00 57.00 54.84 2wmk n GLN 916 Cb 0.45 -1.51 -0.03 0.00 0.11 0.00 0.00 30.24 29.26 2wmk n GLN 916 CO 0.00 0.00 0.00 0.16 -1.44 0.00 0.00 177.06 175.78 2wmk s ASP 917 N -3.08 0.00 0.31 1.08 1.47 -1.26 -5.04 116.67 110.15 2wmk s ASP 917 Ca 0.10 -0.94 -0.01 0.00 1.18 0.00 0.00 52.55 52.88 2wmk s ASP 917 Cb 0.17 0.69 0.50 0.00 -0.34 0.00 0.00 42.92 43.94 2wmk s ASP 917 CO 0.73 -1.33 1.96 0.00 0.68 0.00 0.00 175.17 177.21 2wmk h ALA 918 N 2.11 1.46 -0.59 2.11 0.00 -1.92 0.33 119.26 122.76 2wmk h ALA 918 Ca -0.25 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.62 2wmk h ALA 918 Cb 1.25 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 2wmk h ALA 918 CO 0.33 0.47 0.39 -0.97 0.00 0.00 0.00 179.25 179.47 2wmk h ASN 919 N 1.05 0.67 -0.27 0.00 -0.73 -1.95 -1.04 115.58 113.30 2wmk h ASN 919 Ca 0.31 -0.02 -0.17 0.00 1.87 0.00 0.00 56.30 58.29 2wmk h ASN 919 Cb -0.04 -0.16 0.00 0.00 0.27 0.00 0.00 38.32 38.39 2wmk h ASN 919 CO -0.08 0.48 -0.51 1.56 -0.37 0.00 0.00 177.43 178.51 2wmk h GLN 920 N 0.79 0.83 -0.35 6.67 4.20 -1.63 -3.18 115.11 122.44 2wmk h GLN 920 Ca 0.22 -0.53 0.05 0.00 0.06 0.00 0.00 58.65 58.45 2wmk h GLN 920 Cb -0.08 0.06 -0.04 0.00 0.30 0.00 0.00 27.48 27.72 2wmk h GLN 920 CO -0.05 1.16 0.10 0.00 -0.67 0.00 0.00 178.83 179.36 2wmk h ALA 921 N 0.66 0.38 -0.21 3.87 0.00 -0.89 -2.20 119.26 120.87 2wmk h ALA 921 Ca 0.01 0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.04 2wmk h ALA 921 Cb 1.12 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 2wmk h ALA 921 CO 0.11 -0.30 0.21 -0.22 0.00 0.00 0.00 179.25 179.05 2wmk h LYS 922 N 0.23 0.00 -0.48 0.00 3.64 -1.17 -2.23 116.57 116.56 2wmk h LYS 922 Ca 0.16 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 2wmk h LYS 922 Cb 0.16 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 2wmk h LYS 922 CO -0.19 0.00 0.00 1.63 -2.27 0.00 0.00 179.45 178.62 2wmk n LYS 923 N -3.88 2.54 -1.26 1.90 4.76 -0.84 -4.87 118.16 116.51 2wmk n LYS 923 Ca 0.02 -2.35 -0.35 0.00 -2.87 0.00 0.00 58.31 52.76 2wmk n LYS 923 Cb 0.35 -1.50 0.09 0.00 -1.84 0.00 0.00 35.03 32.13 2wmk n LYS 923 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2wmk n LEU 924 N 1.44 2.95 -4.76 -0.35 4.77 -0.84 -4.90 117.00 115.30 2wmk n LEU 924 Ca 0.20 0.62 -0.41 0.00 -0.03 0.00 0.00 56.01 56.39 2wmk n LEU 924 Cb 0.59 -1.38 -0.02 0.00 -2.33 0.00 0.00 43.42 40.28 2wmk n LEU 924 CO 0.15 -2.27 1.06 -2.16 -1.33 0.00 0.00 177.39 172.84 2wmk s PRO 925 N -3.39 4.28 0.23 3.23 0.04 -1.26 -4.93 135.00 133.21 2wmk s PRO 925 Ca 0.71 2.31 -0.30 0.00 0.04 0.00 0.00 61.00 63.76 2wmk s PRO 925 Cb -0.33 -3.07 -0.15 0.00 0.04 0.00 0.00 34.50 30.99 2wmk s PRO 925 CO 0.53 -0.34 0.97 1.04 0.04 0.00 0.00 177.00 179.24 2wmk n GLN 926 N 1.37 1.03 0.06 4.56 1.13 -1.26 -4.89 117.38 119.37 2wmk n GLN 926 Ca 0.03 0.36 -0.06 0.00 -1.94 0.00 0.00 57.00 55.39 2wmk n GLN 926 Cb 0.41 -1.71 0.12 0.00 0.11 0.00 0.00 30.24 29.17 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 2.24 0.39 -0.47 1.08 5.85 -1.93 -3.50 115.31 118.97 2wmk h LEU 927 Ca -0.39 -0.21 0.21 0.00 0.84 0.00 0.00 57.88 58.33 2wmk h LEU 927 Cb 1.36 -0.11 -0.12 0.00 0.37 0.00 0.00 40.66 42.16 2wmk h LEU 927 CO 0.63 0.86 -0.90 0.35 -0.34 0.00 0.00 178.44 179.04 2wmk n THR 928 N -3.93 -0.95 0.19 1.05 -2.24 -1.26 -3.51 114.28 103.62 2wmk n THR 928 Ca -0.02 0.77 -0.15 0.00 -2.27 0.00 0.00 64.05 62.38 2wmk n THR 928 Cb 0.58 -1.18 -0.07 0.00 -2.10 0.00 0.00 70.33 67.56 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 -0.83 -0.47 -0.78 -0.78 3.64 -1.97 0.80 116.57 116.18 2wmk h LYS 929 Ca -0.12 0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.32 2wmk h LYS 929 Cb 0.96 0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.84 2wmk h LYS 929 CO 0.05 -0.31 0.51 0.87 -2.27 0.00 0.00 179.45 178.30 2wmk h LYS 930 N -0.48 0.95 -0.26 1.90 1.57 -2.00 -1.94 116.57 116.31 2wmk h LYS 930 Ca -0.03 -0.06 -0.12 0.00 -1.87 0.00 0.00 60.65 58.58 2wmk h LYS 930 Cb 0.40 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 2wmk h LYS 930 CO 0.03 0.63 -0.33 0.78 -0.57 0.00 0.00 179.45 179.99 2wmk h GLY 931 N 0.98 0.60 1.23 3.86 0.00 -1.50 -0.99 103.07 107.26 2wmk h GLY 931 Ca 0.30 -0.55 -0.24 0.00 0.00 0.00 0.00 47.33 46.84 2wmk h GLY 931 CO -0.08 0.50 -0.88 0.00 0.00 0.00 0.00 176.54 176.08 2wmk h ALA 932 N 1.17 0.26 -0.64 3.60 0.00 -0.48 0.17 119.26 123.34 2wmk h ALA 932 Ca 0.05 -0.64 0.02 0.00 0.00 0.00 0.00 54.91 54.35 2wmk h ALA 932 Cb 0.80 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 2wmk h ALA 932 CO 0.07 0.70 0.41 0.82 0.00 0.00 0.00 179.25 181.24 2wmk h ILE 933 N 0.47 1.11 -0.64 0.00 2.04 -1.28 -1.14 117.51 118.06 2wmk h ILE 933 Ca -0.08 -0.28 -0.08 0.00 1.00 0.00 0.00 64.86 65.42 2wmk h ILE 933 Cb 1.51 0.23 -0.03 0.00 -0.74 0.00 0.00 36.82 37.79 2wmk h ILE 933 CO 0.18 0.15 0.08 0.50 0.00 0.00 0.00 178.15 179.05 2wmk h LYS 934 N 0.81 1.06 -0.87 2.37 3.64 -0.93 -1.37 116.57 121.29 2wmk h LYS 934 Ca 0.25 -0.29 0.03 0.00 -1.27 0.00 0.00 60.65 59.37 2wmk h LYS 934 Cb -0.02 -0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 31.63 2wmk h LYS 934 CO -0.09 0.99 0.56 2.35 -2.27 0.00 0.00 179.45 181.00 2wmk h TRP 935 N 0.99 1.06 -0.52 1.91 7.01 -0.28 -0.93 115.95 125.19 2wmk h TRP 935 Ca 0.19 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.20 2wmk h TRP 935 Cb 0.46 -0.35 -0.02 0.00 -2.10 0.00 0.00 29.16 27.14 2wmk h TRP 935 CO 0.03 0.62 0.23 0.82 -2.79 0.00 0.00 178.44 177.36 2wmk h ILE 936 N 1.11 1.20 -0.42 2.65 2.04 -0.79 0.11 117.51 123.42 2wmk h ILE 936 Ca 0.34 -0.60 -0.00 0.00 1.00 0.00 0.00 64.86 65.61 2wmk h ILE 936 Cb -0.02 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 36.67 2wmk h ILE 936 CO -0.11 0.23 0.26 -0.33 0.00 0.00 0.00 178.15 178.20 2wmk h GLU 937 N 0.69 0.56 0.00 2.37 5.08 -0.64 0.30 114.58 122.94 2wmk h GLU 937 Ca 0.18 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.38 2wmk h GLU 937 Cb 0.15 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 2wmk h GLU 937 CO -0.02 0.40 -1.44 0.39 -1.00 0.00 0.00 179.01 177.34 2wmk n GLU 938 N -4.77 0.63 0.00 2.33 1.02 -0.41 -3.72 120.64 115.72 2wmk n GLU 938 Ca 0.01 0.12 0.00 0.00 -0.02 0.00 0.00 57.16 57.27 2wmk n GLU 938 Cb 0.04 -1.76 0.00 0.00 -0.02 0.00 0.00 31.44 29.71 2wmk n GLU 938 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2wmk n HIS 939 N -2.74 0.00 0.01 -0.32 8.25 0.36 -4.41 115.22 116.38 2wmk n HIS 939 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 2wmk n HIS 939 Cb 0.74 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.85 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 -0.17 -0.07 -0.25 4.41 9.36 -0.92 -3.85 117.16 125.67 2wmk n TYR 940 Ca 0.00 0.01 -0.02 0.00 3.32 0.00 0.00 57.90 61.21 2wmk n TYR 940 Cb 0.08 0.07 0.17 0.00 -0.63 0.00 0.00 39.34 39.04 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 1.23 -3.69 2.97 1.08 -0.59 -3.41 117.51 115.11 2wmk h ILE 941 Ca 0.00 -0.55 -0.31 0.00 -0.39 0.00 0.00 64.86 63.60 2wmk h ILE 941 Cb 0.70 0.17 -0.15 0.00 -3.07 0.00 0.00 36.82 34.48 2wmk h ILE 941 CO 0.00 0.25 -0.66 -1.59 -0.69 0.00 0.00 178.15 175.46 2wmk s LYS 942 N -5.73 1.19 -1.56 2.37 -2.85 -1.24 -4.85 119.74 107.07 2wmk s LYS 942 Ca -0.11 -1.59 -0.04 0.00 -1.00 0.00 0.00 55.97 53.23 2wmk s LYS 942 Cb 0.17 -0.33 0.01 0.00 -2.06 0.00 0.00 37.83 35.62 2wmk s LYS 942 CO 0.80 -0.15 0.43 -0.25 0.10 0.00 0.00 175.35 176.29 2wmk n ASP 943 N -0.30 -5.73 -4.76 0.03 8.00 -1.26 -2.99 116.55 109.54 2wmk n ASP 943 Ca -0.05 -0.21 -0.41 0.00 0.71 0.00 0.00 54.79 54.82 2wmk n ASP 943 Cb 0.64 -4.68 -0.01 0.00 -0.02 0.00 0.00 41.12 37.05 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 -3.10 2.06 -0.94 -3.53 2.01 -1.25 -4.70 115.64 106.20 2wmk s THR 944 Ca 0.23 0.05 -0.17 0.00 0.31 0.00 0.00 61.69 62.11 2wmk s THR 944 Cb -0.11 -3.03 0.16 0.00 0.01 0.00 0.00 72.50 69.53 2wmk s THR 944 CO 0.28 0.01 1.07 -1.10 -0.69 0.00 0.00 174.62 174.20 2wmk s GLN 945 N -1.20 3.67 0.64 4.92 -1.52 -1.26 -5.03 119.66 119.89 2wmk s GLN 945 Ca 0.59 -2.04 -0.16 0.00 -1.95 0.00 0.00 55.36 51.80 2wmk s GLN 945 Cb -0.47 -4.81 -0.01 0.00 -0.22 0.00 0.00 33.01 27.50 2wmk s GLN 945 CO 0.55 -1.65 1.12 -0.06 -0.25 0.00 0.00 175.29 175.00 2wmk s PHE 946 N 1.88 2.58 0.83 0.91 0.08 -1.26 -0.96 117.98 122.04 2wmk s PHE 946 Ca 0.30 1.55 -0.12 0.00 0.12 0.00 0.00 56.93 58.79 2wmk s PHE 946 Cb -0.06 -3.22 0.09 0.00 -0.57 0.00 0.00 43.02 39.26 2wmk s PHE 946 CO -0.08 -1.75 1.10 0.20 -0.10 0.00 0.00 175.22 174.59 2wmk s GLY 947 N -2.39 1.61 0.54 4.36 0.00 -1.20 -4.19 107.32 106.05 2wmk s GLY 947 Ca 0.69 -0.25 -0.21 0.00 0.00 0.00 0.00 44.72 44.95 2wmk s GLY 947 CO 0.39 0.20 1.23 -0.54 0.00 0.00 0.00 173.10 174.39 2wmk s GLU 948 N -5.16 3.26 0.53 2.90 0.41 -1.26 -4.93 118.70 114.45 2wmk s GLU 948 Ca 0.62 1.92 -0.21 0.00 -0.41 0.00 0.00 54.97 56.88 2wmk s GLU 948 Cb -0.15 -2.16 -0.05 0.00 -1.78 0.00 0.00 34.13 29.99 2wmk s GLU 948 CO 0.54 -1.00 1.22 0.15 -0.49 0.00 0.00 175.26 175.68 2wmk s LYS 949 N -3.03 3.30 0.05 1.61 1.02 -1.26 -4.69 119.74 116.74 2wmk s LYS 949 Ca 0.72 1.87 -0.07 0.00 0.02 0.00 0.00 55.97 58.51 2wmk s LYS 949 Cb -0.32 -2.16 -0.01 0.00 -0.52 0.00 0.00 37.83 34.82 2wmk s LYS 949 CO 0.37 -0.95 0.13 -0.98 -0.92 0.00 0.00 175.35 173.00 2wmk s ARG 950 N -3.03 0.67 -0.08 1.68 1.70 -0.08 -4.76 118.95 115.05 2wmk s ARG 950 Ca 0.71 -0.80 -0.19 0.00 -0.47 0.00 0.00 55.73 54.98 2wmk s ARG 950 Cb -0.31 0.27 -0.04 0.00 -0.57 0.00 0.00 34.95 34.29 2wmk s ARG 950 CO 0.36 -0.18 0.52 0.08 -1.08 0.00 0.00 175.30 175.00 2wmk s VAL 951 N -2.96 5.10 -0.07 4.99 1.01 -1.26 -1.70 120.40 125.52 2wmk s VAL 951 Ca -0.02 1.06 0.04 0.00 0.00 0.00 0.00 61.98 63.06 2wmk s VAL 951 Cb 0.01 -3.86 -0.02 0.00 0.00 0.00 0.00 36.38 32.51 2wmk s VAL 951 CO -0.06 0.36 -0.18 -0.89 0.00 0.00 0.00 175.10 174.32 2wmk s THR 952 N 0.35 2.67 -0.05 3.92 2.01 -0.14 -4.45 115.64 119.94 2wmk s THR 952 Ca 0.28 -0.84 0.04 0.00 0.31 0.00 0.00 61.69 61.47 2wmk s THR 952 Cb -0.16 -2.04 -0.02 0.00 0.01 0.00 0.00 72.50 70.29 2wmk s THR 952 CO 0.13 0.57 -0.15 -0.54 -0.69 0.00 0.00 174.62 173.93 2wmk s LYS 953 N -0.27 2.55 -0.08 4.92 1.02 -0.80 -0.70 119.74 126.38 2wmk s LYS 953 Ca 0.01 -0.71 0.02 0.00 0.02 0.00 0.00 55.97 55.31 2wmk s LYS 953 Cb -0.13 -2.37 0.01 0.00 -0.52 0.00 0.00 37.83 34.82 2wmk s LYS 953 CO 0.03 0.58 -0.15 0.42 -0.92 0.00 0.00 175.35 175.32 2wmk s ILE 954 N -0.63 1.34 -0.16 2.17 1.01 -0.66 -0.72 121.20 123.55 2wmk s ILE 954 Ca 0.09 -0.59 0.01 0.00 0.00 0.00 0.00 60.65 60.17 2wmk s ILE 954 Cb -0.11 -1.21 0.02 0.00 0.01 0.00 0.00 42.46 41.16 2wmk s ILE 954 CO 0.01 0.40 -0.19 -0.69 0.00 0.00 0.00 174.94 174.47 2wmk s VAL 955 N 0.69 1.91 -0.15 2.92 1.01 0.66 0.24 120.40 127.68 2wmk s VAL 955 Ca -0.14 -0.87 -0.07 0.00 0.00 0.00 0.00 61.98 60.91 2wmk s VAL 955 Cb -0.16 -1.73 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 2wmk s VAL 955 CO 0.03 0.52 0.09 -0.76 0.00 0.00 0.00 175.10 174.98 2wmk s LEU 956 N 1.16 4.04 0.31 3.92 1.43 -0.21 -0.22 118.68 129.10 2wmk s LEU 956 Ca 0.00 0.24 0.10 0.00 -1.03 0.00 0.00 54.13 53.44 2wmk s LEU 956 Cb -0.14 -2.00 -0.05 0.00 0.03 0.00 0.00 46.19 44.03 2wmk s LEU 956 CO -0.08 0.28 -0.05 -0.13 0.23 0.00 0.00 176.35 176.60 2wmk s ARG 957 N -0.27 1.99 -0.76 1.70 0.52 -0.00 -1.54 118.95 120.59 2wmk s ARG 957 Ca 0.09 -1.72 -0.04 0.00 -0.52 0.00 0.00 55.73 53.54 2wmk s ARG 957 Cb -0.12 -1.90 0.00 0.00 0.52 0.00 0.00 34.95 33.46 2wmk s ARG 957 CO 0.01 0.22 0.66 0.41 0.02 0.00 0.00 175.30 176.62 2wmk n GLY 958 N -0.84 0.08 3.32 -3.53 0.00 -0.16 -3.63 105.19 100.43 2wmk n GLY 958 Ca -0.05 -0.15 -0.32 0.00 0.00 0.00 0.00 46.02 45.51 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 -3.19 2.29 -0.09 -0.61 1.09 0.13 -4.95 121.20 115.87 2wmk s ILE 959 Ca 0.27 -1.00 -0.02 0.00 -1.10 0.00 0.00 60.65 58.81 2wmk s ILE 959 Cb -0.12 -1.84 -0.26 0.00 -1.06 0.00 0.00 42.46 39.18 2wmk s ILE 959 CO 0.42 0.57 0.49 0.44 -0.10 0.00 0.00 174.94 176.76 2wmk h ASP 960 N 5.82 0.33 -4.88 3.58 3.32 -1.95 -3.39 116.42 119.25 2wmk h ASP 960 Ca -0.37 -0.70 -0.20 0.00 0.02 0.00 0.00 57.03 55.77 2wmk h ASP 960 Cb 1.16 -0.11 -0.18 0.00 0.22 0.00 0.00 39.33 40.42 2wmk h ASP 960 CO 0.48 1.63 -0.71 -0.75 -1.72 0.00 0.00 179.24 178.17 2wmk s LYS 961 N -2.57 0.56 -0.02 3.56 2.20 -1.26 -5.04 119.74 117.16 2wmk s LYS 961 Ca -0.17 -0.94 -0.32 0.00 -0.36 0.00 0.00 55.97 54.18 2wmk s LYS 961 Cb 0.07 -0.07 -0.10 0.00 -1.51 0.00 0.00 37.83 36.22 2wmk s LYS 961 CO 0.79 -0.02 1.93 -0.11 -0.36 0.00 0.00 175.35 177.58 2wmk n LEU 962 N 0.89 3.84 -4.77 5.43 7.94 -1.26 -4.98 117.00 124.08 2wmk n LEU 962 Ca -0.19 0.94 -0.31 0.00 -1.11 0.00 0.00 56.01 55.34 2wmk n LEU 962 Cb 0.57 -1.46 0.08 0.00 0.53 0.00 0.00 43.42 43.15 2wmk n LEU 962 CO 0.24 0.08 0.70 -2.84 -1.11 0.00 0.00 177.39 174.47 2wmk s PRO 963 N 4.24 2.37 0.09 1.96 0.02 -1.26 -4.95 135.00 137.47 2wmk s PRO 963 Ca 0.91 1.15 0.09 0.00 0.02 0.00 0.00 61.00 63.17 2wmk s PRO 963 Cb -0.56 -1.91 -0.04 0.00 0.02 0.00 0.00 34.50 32.02 2wmk s PRO 963 CO 0.46 -1.56 -0.21 0.95 -0.33 0.00 0.00 177.00 176.32 2wmk s THR 964 N -2.89 2.62 -0.09 0.99 -4.23 -0.62 -4.92 115.64 106.50 2wmk s THR 964 Ca 0.61 -1.46 -0.15 0.00 -1.18 0.00 0.00 61.69 59.51 2wmk s THR 964 Cb -0.17 -2.15 -0.05 0.00 1.34 0.00 0.00 72.50 71.47 2wmk s THR 964 CO 0.55 0.19 0.37 -0.63 -0.54 0.00 0.00 174.62 174.57 2wmk s ILE 965 N -1.03 5.19 0.10 2.99 1.01 -1.26 -0.58 121.20 127.62 2wmk s ILE 965 Ca 0.15 0.74 0.03 0.00 0.00 0.00 0.00 60.65 61.57 2wmk s ILE 965 Cb -0.10 -3.70 -0.04 0.00 0.01 0.00 0.00 42.46 38.63 2wmk s ILE 965 CO 0.07 0.45 -0.08 -1.00 0.00 0.00 0.00 174.94 174.38 2wmk s HIS 966 N -0.13 0.98 -1.43 3.97 3.76 -0.05 -4.92 115.29 117.47 2wmk s HIS 966 Ca 0.22 -0.79 -0.04 0.00 -0.15 0.00 0.00 55.06 54.30 2wmk s HIS 966 Cb -0.15 -0.54 0.03 0.00 1.11 0.00 0.00 32.58 33.03 2wmk s HIS 966 CO 0.09 -0.07 0.59 0.43 -0.85 0.00 0.00 174.74 174.93 2wmk n SER 967 N 0.21 -1.34 -4.66 1.40 7.64 -1.26 -0.88 113.62 114.72 2wmk n SER 967 Ca -0.14 -0.94 -0.42 0.00 1.01 0.00 0.00 58.87 58.38 2wmk n SER 967 Cb 0.59 -3.34 -0.03 0.00 -1.01 0.00 0.00 64.21 60.42 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 -6.97 4.15 0.20 -3.43 2.96 -1.26 -4.05 118.68 110.28 2wmk s LEU 968 Ca 0.16 1.27 -0.12 0.00 -0.22 0.00 0.00 54.13 55.22 2wmk s LEU 968 Cb -0.09 -3.37 -0.00 0.00 0.50 0.00 0.00 46.19 43.24 2wmk s LEU 968 CO 0.87 -0.51 0.39 -0.94 -1.32 0.00 0.00 176.35 174.84 2wmk s SER 969 N 1.20 -0.06 0.00 3.68 1.04 -0.62 -5.02 113.70 113.91 2wmk s SER 969 Ca 0.41 -0.83 0.00 0.00 0.48 0.00 0.00 55.95 56.01 2wmk s SER 969 Cb -0.16 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.47 2wmk s SER 969 CO 0.10 -1.01 0.00 0.61 0.98 0.00 0.00 173.24 173.93 2wmk n GLY 970 N -0.30 -0.98 3.62 7.32 0.00 -1.26 -1.24 105.19 112.36 2wmk n GLY 970 Ca -0.06 -0.85 -0.51 0.00 0.00 0.00 0.00 46.02 44.61 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 0.06 -1.63 2.61 -1.04 -0.35 -4.84 114.28 111.60 2wmk n THR 971 Ca 0.00 -0.01 -0.47 0.00 -2.04 0.00 0.00 64.05 61.53 2wmk n THR 971 Cb 0.00 -1.07 -0.04 0.00 -1.82 0.00 0.00 70.33 67.40 2wmk n THR 971 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 2wmk n ASN 972 N 3.19 2.31 -3.28 8.00 5.15 -1.26 -2.70 115.26 126.66 2wmk n ASN 972 Ca 0.19 1.13 -0.23 0.00 -0.60 0.00 0.00 54.58 55.06 2wmk n ASN 972 Cb 0.21 -1.34 0.05 0.00 -0.53 0.00 0.00 39.78 38.17 2wmk n ASN 972 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2wmk n ASN 973 N 2.46 -6.04 0.00 1.20 5.03 -1.26 -4.87 115.26 111.78 2wmk n ASN 973 Ca 0.15 -0.40 0.00 0.00 0.87 0.00 0.00 54.58 55.19 2wmk n ASN 973 Cb 0.27 -4.83 0.00 0.00 -1.02 0.00 0.00 39.78 34.20 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 -2.70 0.66 -3.79 6.41 3.41 -1.10 -5.03 113.62 111.48 2wmk n SER 974 Ca -0.06 -1.04 -0.13 0.00 -0.26 0.00 0.00 58.87 57.39 2wmk n SER 974 Cb 0.59 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.45 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 -0.04 -0.16 0.54 7.33 -0.85 -1.26 -0.93 117.35 121.98 2wmk s TYR 975 Ca 0.00 0.29 -0.06 0.00 -0.52 0.00 0.00 57.07 56.78 2wmk s TYR 975 Cb 0.00 0.06 -0.02 0.00 0.38 0.00 0.00 41.96 42.38 2wmk s TYR 975 CO 0.00 -0.31 0.87 -0.51 -1.52 0.00 0.00 175.55 174.08 2wmk s ASP 976 N -0.98 6.04 0.15 -0.18 1.01 -0.70 -5.03 116.67 116.99 2wmk s ASP 976 Ca -0.11 0.95 -0.31 0.00 0.71 0.00 0.00 52.55 53.79 2wmk s ASP 976 Cb -0.05 -2.12 -0.10 0.00 1.01 0.00 0.00 42.92 41.66 2wmk s ASP 976 CO 0.03 -0.79 1.65 -1.58 0.21 0.00 0.00 175.17 174.69 2wmk s GLN 977 N -4.90 4.18 0.41 8.23 2.00 -1.26 -4.69 119.66 123.63 2wmk s GLN 977 Ca 0.51 2.44 -0.26 0.00 -2.00 0.00 0.00 55.36 56.05 2wmk s GLN 977 Cb -0.10 -3.29 -0.10 0.00 0.80 0.00 0.00 33.01 30.32 2wmk s GLN 977 CO 0.47 -0.70 1.38 -2.30 -0.50 0.00 0.00 175.29 173.64 2wmk n PRO 978 N 4.53 2.24 -3.85 1.67 -0.02 -1.26 -4.91 135.00 133.41 2wmk n PRO 978 Ca 0.15 0.79 -0.36 0.00 -2.02 0.00 0.00 63.50 62.07 2wmk n PRO 978 Cb 0.38 -2.53 -0.08 0.00 -0.02 0.00 0.00 33.50 31.26 2wmk n PRO 978 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2wmk s SER 979 N -0.38 6.14 -0.02 2.55 0.15 -0.61 -4.94 113.70 116.59 2wmk s SER 979 Ca 0.58 0.28 0.03 0.00 0.70 0.00 0.00 55.95 57.55 2wmk s SER 979 Cb -0.49 -2.04 -0.03 0.00 -1.71 0.00 0.00 66.02 61.75 2wmk s SER 979 CO 0.60 0.26 -0.09 -0.76 1.20 0.00 0.00 173.24 174.45 2wmk s LEU 980 N -0.15 3.03 -0.23 3.45 1.02 -1.26 0.03 118.68 124.57 2wmk s LEU 980 Ca 0.10 -0.16 -0.02 0.00 0.02 0.00 0.00 54.13 54.07 2wmk s LEU 980 Cb -0.12 -1.71 0.07 0.00 0.02 0.00 0.00 46.19 44.45 2wmk s LEU 980 CO 0.00 0.31 0.02 0.21 0.02 0.00 0.00 176.35 176.92 2wmk s ASN 981 N -1.18 3.35 -0.24 2.29 3.84 -0.17 -4.99 114.94 117.85 2wmk s ASN 981 Ca 0.15 -1.06 -0.12 0.00 0.21 0.00 0.00 52.86 52.04 2wmk s ASN 981 Cb -0.11 -0.79 -0.05 0.00 -0.55 0.00 0.00 41.25 39.75 2wmk s ASN 981 CO 0.05 -0.31 0.21 0.12 -2.79 0.00 0.00 177.10 174.38 2wmk s PHE 982 N 1.70 3.32 -0.54 0.43 5.36 -1.26 -0.77 117.98 126.21 2wmk s PHE 982 Ca -0.00 0.29 -0.02 0.00 -0.96 0.00 0.00 56.93 56.24 2wmk s PHE 982 Cb -0.18 -2.33 0.14 0.00 -0.34 0.00 0.00 43.02 40.32 2wmk s PHE 982 CO -0.11 0.03 0.35 0.34 -1.46 0.00 0.00 175.22 174.37 2wmk s ASP 983 N 1.11 5.18 0.31 6.13 -1.08 0.30 -4.97 116.67 123.65 2wmk s ASP 983 Ca 0.10 -2.58 0.00 0.00 -0.52 0.00 0.00 52.55 49.55 2wmk s ASP 983 Cb -0.14 -1.83 0.50 0.00 -1.46 0.00 0.00 42.92 40.00 2wmk s ASP 983 CO 0.06 -0.42 1.91 -0.61 0.52 0.00 0.00 175.17 176.63 2wmk h GLN 984 N 7.34 0.85 -0.27 4.34 5.75 -1.96 -2.25 115.11 128.91 2wmk h GLN 984 Ca -0.06 -0.11 -0.12 0.00 -0.15 0.00 0.00 58.65 58.21 2wmk h GLN 984 Cb 0.98 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 29.36 2wmk h GLN 984 CO 0.70 0.66 -0.34 1.57 -2.65 0.00 0.00 178.83 178.77 2wmk h LYS 985 N 0.84 0.58 -0.66 1.69 2.10 -1.94 -2.90 116.57 116.28 2wmk h LYS 985 Ca 0.21 -0.27 0.00 0.00 -2.00 0.00 0.00 60.65 58.59 2wmk h LYS 985 Cb 0.10 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.42 2wmk h LYS 985 CO -0.03 0.84 0.00 0.09 -2.00 0.00 0.00 179.45 178.36 2wmk n ASN 986 N -4.06 3.86 -4.04 7.07 5.03 -0.92 -4.95 115.26 117.26 2wmk n ASN 986 Ca -0.01 -2.14 -0.33 0.00 0.87 0.00 0.00 54.58 52.97 2wmk n ASN 986 Cb 0.48 -0.48 -0.03 0.00 -1.02 0.00 0.00 39.78 38.73 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 1.32 -1.71 -4.13 3.10 8.25 -0.90 -4.63 115.22 116.51 2wmk n HIS 987 Ca 0.23 0.70 -0.14 0.00 -0.26 0.00 0.00 57.72 58.25 2wmk n HIS 987 Cb 0.65 -2.77 -0.11 0.00 1.12 0.00 0.00 29.99 28.88 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 -6.73 0.72 -0.03 -0.41 0.23 -1.09 0.19 119.30 112.18 2wmk s MET 988 Ca 0.67 -0.99 0.01 0.00 -1.03 0.00 0.00 55.69 54.35 2wmk s MET 988 Cb -0.37 -0.46 0.02 0.00 -1.53 0.00 0.00 34.83 32.49 2wmk s MET 988 CO 0.82 0.08 -0.03 0.08 -2.03 0.00 0.00 175.02 173.94 2wmk s VAL 989 N -1.97 0.40 -0.26 5.16 1.01 -0.59 -0.54 120.40 123.61 2wmk s VAL 989 Ca -0.01 -0.06 -0.09 0.00 0.00 0.00 0.00 61.98 61.82 2wmk s VAL 989 Cb -0.06 -0.44 -0.04 0.00 0.00 0.00 0.00 36.38 35.84 2wmk s VAL 989 CO 0.00 0.18 0.14 -0.89 0.00 0.00 0.00 175.10 174.53 2wmk s THR 990 N 0.84 4.93 -0.23 3.92 2.01 0.05 -1.05 115.64 126.11 2wmk s THR 990 Ca -0.10 0.04 -0.08 0.00 0.31 0.00 0.00 61.69 61.86 2wmk s THR 990 Cb -0.13 -3.32 -0.04 0.00 0.01 0.00 0.00 72.50 69.02 2wmk s THR 990 CO -0.00 0.31 0.09 -0.63 -0.69 0.00 0.00 174.62 173.70 2wmk s ILE 991 N 1.52 4.71 -0.19 1.82 1.01 0.14 -1.00 121.20 129.21 2wmk s ILE 991 Ca 0.06 -0.05 -0.03 0.00 0.00 0.00 0.00 60.65 60.64 2wmk s ILE 991 Cb -0.15 -3.18 -0.01 0.00 0.01 0.00 0.00 42.46 39.13 2wmk s ILE 991 CO 0.07 0.37 -0.07 -0.89 0.00 0.00 0.00 174.94 174.42 2wmk s THR 992 N 1.15 3.34 -0.09 2.92 2.01 0.10 -1.66 115.64 123.42 2wmk s THR 992 Ca 0.05 -0.53 0.02 0.00 0.31 0.00 0.00 61.69 61.55 2wmk s THR 992 Cb -0.14 -2.48 -0.02 0.00 0.01 0.00 0.00 72.50 69.87 2wmk s THR 992 CO 0.04 0.46 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.64 2wmk s ILE 993 N 1.00 2.77 -0.25 1.82 1.01 0.12 -1.58 121.20 126.09 2wmk s ILE 993 Ca -0.00 -0.79 0.02 0.00 0.00 0.00 0.00 60.65 59.88 2wmk s ILE 993 Cb -0.15 -2.11 0.06 0.00 0.01 0.00 0.00 42.46 40.27 2wmk s ILE 993 CO -0.00 0.55 -0.10 0.21 0.00 0.00 0.00 174.94 175.60 2wmk s ASN 994 N -0.00 4.28 0.28 3.58 3.04 -1.26 -0.97 114.94 123.89 2wmk s ASN 994 Ca -0.05 -1.33 -0.21 0.00 0.04 0.00 0.00 52.86 51.31 2wmk s ASN 994 Cb -0.15 -1.46 0.03 0.00 -1.54 0.00 0.00 41.25 38.13 2wmk s ASN 994 CO 0.04 -0.20 0.75 -0.94 -3.04 0.00 0.00 177.10 173.72 2wmk s SER 995 N 1.17 -0.22 -0.37 -4.21 1.04 -0.69 -1.72 113.70 108.71 2wmk s SER 995 Ca -0.08 -0.65 0.07 0.00 0.48 0.00 0.00 55.95 55.77 2wmk s SER 995 Cb -0.20 0.72 0.18 0.00 0.10 0.00 0.00 66.02 66.83 2wmk s SER 995 CO -0.05 -1.35 0.59 0.21 0.98 0.00 0.00 173.24 173.61 2wmk s ASN 996 N -2.94 -1.22 0.00 7.02 3.04 -0.11 -0.90 114.94 119.83 2wmk s ASN 996 Ca 0.12 -0.62 0.00 0.00 0.04 0.00 0.00 52.86 52.40 2wmk s ASN 996 Cb -0.06 1.81 0.00 0.00 -1.54 0.00 0.00 41.25 41.47 2wmk s ASN 996 CO 0.07 -0.22 0.00 0.61 -3.04 0.00 0.00 177.10 174.52 2wmk n GLY 997 N 4.67 -0.56 3.96 1.21 0.00 -1.26 -4.77 105.19 108.44 2wmk n GLY 997 Ca 0.09 -1.01 -0.22 0.00 0.00 0.00 0.00 46.02 44.88 2wmk n GLY 997 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wmk s ASN 998 N -4.00 6.29 -0.19 1.61 4.22 -1.26 -1.78 114.94 119.83 2wmk s ASN 998 Ca 0.00 0.21 -0.22 0.00 -2.14 0.00 0.00 52.86 50.71 2wmk s ASN 998 Cb 0.00 -1.90 0.06 0.00 1.28 0.00 0.00 41.25 40.69 2wmk s ASN 998 CO 0.00 -0.18 0.59 -0.22 -2.04 0.00 0.00 177.10 175.25 2wmk s LEU 999 N -4.12 -0.25 -0.00 3.54 2.96 -0.34 -1.21 118.68 119.25 2wmk s LEU 999 Ca 0.37 1.07 -0.09 0.00 -0.22 0.00 0.00 54.13 55.26 2wmk s LEU 999 Cb -0.09 2.05 0.01 0.00 0.50 0.00 0.00 46.19 48.66 2wmk s LEU 999 CO 0.32 -0.27 0.18 -1.83 -1.32 0.00 0.00 176.35 173.43 2wmk s GLU 1000N 0.02 0.52 0.07 1.98 -1.05 -0.37 -0.25 118.70 119.63 2wmk s GLU 1000Ca -0.02 -0.33 -0.27 0.00 -0.15 0.00 0.00 54.97 54.20 2wmk s GLU 1000Cb -0.04 0.22 0.08 0.00 -0.44 0.00 0.00 34.13 33.96 2wmk s GLU 1000CO 0.02 -0.13 0.94 -0.59 0.95 0.00 0.00 175.26 176.45 2wmk s PHE 1001N -1.32 -0.22 0.05 4.83 -0.12 -0.76 -1.60 117.98 118.83 2wmk s PHE 1001Ca -0.14 0.01 0.06 0.00 -0.05 0.00 0.00 56.93 56.81 2wmk s PHE 1001Cb -0.07 0.59 -0.03 0.00 -0.63 0.00 0.00 43.02 42.88 2wmk s PHE 1001CO 0.02 -0.67 -0.15 -1.21 -0.05 0.00 0.00 175.22 173.16 2wmk s GLU 1002N -3.17 2.15 -0.18 1.99 2.02 -0.06 -0.26 118.70 121.19 2wmk s GLU 1002Ca 0.09 -0.95 -0.04 0.00 0.02 0.00 0.00 54.97 54.09 2wmk s GLU 1002Cb -0.01 -2.26 -0.02 0.00 0.10 0.00 0.00 34.13 31.94 2wmk s GLU 1002CO -0.03 0.54 -0.03 -0.51 0.02 0.00 0.00 175.26 175.25 2wmk s LEU 1003N -1.61 3.16 -0.12 1.80 1.43 0.47 -0.87 118.68 122.95 2wmk s LEU 1003Ca 0.16 -0.20 -0.04 0.00 -1.03 0.00 0.00 54.13 53.02 2wmk s LEU 1003Cb -0.11 -1.78 -0.03 0.00 0.03 0.00 0.00 46.19 44.30 2wmk s LEU 1003CO 0.07 0.11 0.01 -1.00 0.23 0.00 0.00 176.35 175.77 2wmk s HIS 1004N 0.72 3.17 0.00 0.29 3.76 0.25 -1.17 115.29 122.31 2wmk s HIS 1004Ca -0.02 0.08 0.00 0.00 -0.15 0.00 0.00 55.06 54.97 2wmk s HIS 1004Cb -0.14 -1.89 0.00 0.00 1.11 0.00 0.00 32.58 31.66 2wmk s HIS 1004CO 0.02 0.31 0.00 1.97 -0.85 0.00 0.00 174.74 176.19