#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wmi s ASP 423 N 0.00 6.63 0.43 4.52 1.01 -1.26 -4.67 116.67 123.34 2wmi s ASP 423 Ca 0.00 2.75 -0.25 0.00 0.71 0.00 0.00 52.55 55.76 2wmi s ASP 423 Cb 0.00 -2.64 -0.08 0.00 1.01 0.00 0.00 42.92 41.21 2wmi s ASP 423 CO 0.00 -0.68 1.33 -0.54 0.21 0.00 0.00 175.17 175.49 2wmi s LYS 424 N -1.15 3.80 0.35 8.23 -0.14 -1.26 -4.43 119.74 125.15 2wmi s LYS 424 Ca 0.55 2.21 0.19 0.00 -1.36 0.00 0.00 55.97 57.56 2wmi s LYS 424 Cb -0.42 -2.66 0.46 0.00 -1.68 0.00 0.00 37.83 33.53 2wmi s LYS 424 CO 0.50 -0.65 1.63 0.00 -0.76 0.00 0.00 175.35 176.07 2wmi h ARG 425 N 2.43 0.00 -3.58 1.68 3.08 -1.20 -3.46 114.38 113.34 2wmi h ARG 425 Ca -0.50 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.49 2wmi h ARG 425 Cb 1.26 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 31.19 2wmi h ARG 425 CO 0.61 0.38 -0.14 -0.98 -1.07 0.00 0.00 179.97 178.77 2wmi s ARG 426 N -3.32 1.24 -0.05 0.04 1.70 -1.26 -5.07 118.95 112.24 2wmi s ARG 426 Ca 0.02 -0.99 -0.04 0.00 -0.47 0.00 0.00 55.73 54.24 2wmi s ARG 426 Cb 0.09 0.45 -0.04 0.00 -0.57 0.00 0.00 34.95 34.88 2wmi s ARG 426 CO 0.70 -0.49 0.17 -2.00 -1.08 0.00 0.00 175.30 172.60 2wmi s GLU 427 N -3.91 3.45 -0.15 3.89 2.56 -1.26 -5.07 118.70 118.20 2wmi s GLU 427 Ca 0.12 -0.24 -0.02 0.00 0.00 0.00 0.00 54.97 54.83 2wmi s GLU 427 Cb 0.01 -3.13 0.04 0.00 2.00 0.00 0.00 34.13 33.06 2wmi s GLU 427 CO -0.02 0.71 -0.01 0.42 -0.56 0.00 0.00 175.26 175.80 2wmi s ILE 428 N -1.22 0.71 0.09 -3.70 1.01 -1.26 -4.83 121.20 112.01 2wmi s ILE 428 Ca 0.23 -0.41 -0.11 0.00 0.00 0.00 0.00 60.65 60.36 2wmi s ILE 428 Cb -0.12 -1.00 0.04 0.00 0.01 0.00 0.00 42.46 41.38 2wmi s ILE 428 CO 0.13 0.04 0.51 -0.46 0.00 0.00 0.00 174.94 175.17 2wmi n ASN 429 N 5.01 -0.86 -0.27 3.58 0.23 -0.89 -4.85 115.26 117.20 2wmi n ASN 429 Ca -0.10 -1.45 0.08 0.00 -0.53 0.00 0.00 54.58 52.59 2wmi n ASN 429 Cb 0.48 1.39 0.32 0.00 -2.08 0.00 0.00 39.78 39.90 2wmi n ASN 429 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 2wmi h ASN 430 N 0.98 0.75 1.41 0.53 -1.07 -1.90 -0.49 115.58 115.78 2wmi h ASN 430 Ca -0.13 0.03 0.00 0.00 0.07 0.00 0.00 56.30 56.26 2wmi h ASN 430 Cb 0.59 -0.13 0.00 0.00 -2.07 0.00 0.00 38.32 36.72 2wmi h ASN 430 CO 0.18 0.43 -0.28 -0.33 0.07 0.00 0.00 177.43 177.50 2wmi h GLU 431 N 0.83 0.00 -2.14 4.14 5.08 -1.91 -3.35 114.58 117.22 2wmi h GLU 431 Ca 0.42 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 58.21 2wmi h GLU 431 Cb 0.48 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 29.32 2wmi h GLU 431 CO -0.18 0.00 -0.84 0.72 -1.00 0.00 0.00 179.01 177.71 2wmi n HIS 432 N -2.50 2.22 -1.32 4.33 8.25 -0.24 -4.99 115.22 120.96 2wmi n HIS 432 Ca 0.04 -3.92 -0.29 0.00 -0.26 0.00 0.00 57.72 53.29 2wmi n HIS 432 Cb 0.47 -0.47 0.20 0.00 1.12 0.00 0.00 29.99 31.32 2wmi n HIS 432 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2wmi s PRO 433 N -2.47 -0.20 -0.05 -0.41 0.04 -0.93 -2.09 135.00 128.89 2wmi s PRO 433 Ca 0.41 0.04 -0.00 0.00 0.04 0.00 0.00 61.00 61.49 2wmi s PRO 433 Cb 0.23 -1.71 0.03 0.00 0.04 0.00 0.00 34.50 33.09 2wmi s PRO 433 CO -0.08 -3.05 -0.01 -1.17 0.04 0.00 0.00 177.00 172.73 2wmi s LEU 434 N -6.52 0.88 -0.36 -3.56 2.96 -0.20 -4.66 118.68 107.23 2wmi s LEU 434 Ca 0.69 -0.07 -0.08 0.00 -0.22 0.00 0.00 54.13 54.45 2wmi s LEU 434 Cb -0.11 -0.37 0.04 0.00 0.50 0.00 0.00 46.19 46.24 2wmi s LEU 434 CO 0.55 -0.14 0.15 -0.22 -1.32 0.00 0.00 176.35 175.37 2wmi s LEU 435 N 1.50 4.51 0.24 -0.68 2.96 -0.15 -0.97 118.68 126.09 2wmi s LEU 435 Ca -0.03 -1.10 -0.30 0.00 -0.22 0.00 0.00 54.13 52.49 2wmi s LEU 435 Cb -0.13 -1.93 -0.09 0.00 0.50 0.00 0.00 46.19 44.54 2wmi s LEU 435 CO -0.03 -0.36 1.23 -0.04 -1.32 0.00 0.00 176.35 175.83 2wmi s MET 436 N 1.46 4.47 -0.48 1.98 -1.94 -0.52 -2.12 119.30 122.14 2wmi s MET 436 Ca -0.00 1.98 0.04 0.00 -1.71 0.00 0.00 55.69 56.00 2wmi s MET 436 Cb -0.19 -3.18 0.13 0.00 2.01 0.00 0.00 34.83 33.59 2wmi s MET 436 CO 0.04 -0.08 0.23 -1.64 -0.01 0.00 0.00 175.02 173.56 2wmi s MET 437 N -0.85 1.81 0.42 2.03 1.00 -0.33 -4.67 119.30 118.72 2wmi s MET 437 Ca 0.51 -2.44 -0.24 0.00 0.00 0.00 0.00 55.69 53.52 2wmi s MET 437 Cb -0.35 -3.17 -0.08 0.00 0.00 0.00 0.00 34.83 31.23 2wmi s MET 437 CO 0.42 -1.09 1.17 -1.25 0.00 0.00 0.00 175.02 174.27 2wmi s PRO 438 N -0.04 3.95 -0.11 2.03 0.04 -1.26 -1.15 135.00 138.47 2wmi s PRO 438 Ca 0.16 1.83 -0.02 0.00 0.04 0.00 0.00 61.00 63.01 2wmi s PRO 438 Cb -0.25 -2.59 0.04 0.00 0.04 0.00 0.00 34.50 31.74 2wmi s PRO 438 CO -0.01 -0.40 0.04 -0.51 0.04 0.00 0.00 177.00 176.15 2wmi s LEU 439 N -2.67 0.57 -0.26 -3.56 1.43 0.29 -4.87 118.68 109.60 2wmi s LEU 439 Ca 0.59 -0.30 -0.13 0.00 -1.03 0.00 0.00 54.13 53.26 2wmi s LEU 439 Cb -0.30 -0.37 -0.04 0.00 0.03 0.00 0.00 46.19 45.51 2wmi s LEU 439 CO 0.38 -0.26 0.29 -0.31 0.23 0.00 0.00 176.35 176.68 2wmi s TYR 440 N 2.02 3.26 0.12 0.29 1.51 -1.26 -0.86 117.35 122.43 2wmi s TYR 440 Ca 0.03 0.31 -0.35 0.00 -1.01 0.00 0.00 57.07 56.06 2wmi s TYR 440 Cb -0.14 -2.47 -0.15 0.00 -0.11 0.00 0.00 41.96 39.09 2wmi s TYR 440 CO -0.06 -0.16 1.54 0.00 -1.11 0.00 0.00 175.55 175.76 2wmi n ALA 441 N 5.06 0.70 -2.71 3.71 0.00 0.07 -1.03 120.51 126.31 2wmi n ALA 441 Ca -0.11 0.45 -0.43 0.00 0.00 0.00 0.00 53.44 53.36 2wmi n ALA 441 Cb 0.51 -2.29 -0.04 0.00 0.00 0.00 0.00 19.45 17.64 2wmi n ALA 441 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2wmi s ASN 442 N 1.04 6.25 0.20 0.00 3.84 0.05 -3.89 114.94 122.44 2wmi s ASN 442 Ca 0.81 -0.60 0.06 0.00 0.21 0.00 0.00 52.86 53.34 2wmi s ASN 442 Cb -0.76 -2.45 0.12 0.00 -0.55 0.00 0.00 41.25 37.61 2wmi s ASN 442 CO 0.41 -1.42 1.47 1.23 -2.79 0.00 0.00 177.10 176.00 2wmi h GLY 443 N 11.49 0.13 0.96 1.21 0.00 -1.88 -1.04 103.07 113.94 2wmi h GLY 443 Ca -0.27 -0.21 -0.04 0.00 0.00 0.00 0.00 47.33 46.81 2wmi h GLY 443 CO 1.16 0.19 0.14 0.83 0.00 0.00 0.00 176.54 178.86 2wmi h GLU 444 N 0.07 0.74 0.00 4.80 5.08 -1.91 -2.32 114.58 121.05 2wmi h GLU 444 Ca -0.02 -0.16 -0.12 0.00 -1.00 0.00 0.00 59.36 58.06 2wmi h GLU 444 Cb 1.35 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.48 2wmi h GLU 444 CO 0.11 0.71 -0.57 0.93 -1.00 0.00 0.00 179.01 179.18 2wmi h GLU 445 N 0.64 0.00 -0.81 2.33 5.08 -1.87 -2.90 114.58 117.04 2wmi h GLU 445 Ca 0.15 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.52 2wmi h GLU 445 Cb 0.28 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.49 2wmi h GLU 445 CO -0.00 0.57 0.53 0.35 -1.00 0.00 0.00 179.01 179.46 2wmi h PHE 446 N 0.00 1.01 0.00 4.33 3.57 -0.98 -1.41 116.94 123.45 2wmi h PHE 446 Ca -0.01 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 2wmi h PHE 446 Cb 1.12 -0.34 -0.00 0.00 2.79 0.00 0.00 35.95 39.51 2wmi h PHE 446 CO 0.00 0.63 -0.03 -0.91 -2.23 0.00 0.00 178.31 175.77 2wmi h ASN 447 N 1.08 0.00 -0.02 0.41 2.35 -1.21 -1.42 115.58 116.77 2wmi h ASN 447 Ca 0.30 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.05 2wmi h ASN 447 Cb -0.11 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.26 2wmi h ASN 447 CO -0.07 0.03 0.00 0.00 -1.65 0.00 0.00 177.43 175.74 2wmi n GLN 448 N -3.54 1.81 -0.57 0.81 6.02 -0.61 -4.95 117.38 116.35 2wmi n GLN 448 Ca -0.03 -1.18 0.00 0.00 -0.01 0.00 0.00 57.00 55.78 2wmi n GLN 448 Cb 0.13 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 29.91 2wmi n GLN 448 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2wmi n GLY 449 N 1.21 0.69 3.79 1.08 0.00 -0.53 -5.07 105.19 106.36 2wmi n GLY 449 Ca 0.18 -0.19 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 2wmi n GLY 449 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wmi s LYS 450 N -0.64 2.86 -0.50 1.61 1.02 -0.73 -5.00 119.74 118.36 2wmi s LYS 450 Ca 0.00 -0.94 0.04 0.00 0.02 0.00 0.00 55.97 55.09 2wmi s LYS 450 Cb 0.00 -2.60 0.13 0.00 -0.52 0.00 0.00 37.83 34.84 2wmi s LYS 450 CO 0.00 0.46 0.24 0.71 -0.92 0.00 0.00 175.35 175.83 2wmi s TYR 451 N -1.85 3.22 0.28 3.18 2.02 -1.26 -3.34 117.35 119.59 2wmi s TYR 451 Ca 0.31 -3.14 0.02 0.00 -0.37 0.00 0.00 57.07 53.89 2wmi s TYR 451 Cb -0.09 -2.81 -0.04 0.00 -0.40 0.00 0.00 41.96 38.61 2wmi s TYR 451 CO 0.23 -0.77 0.13 0.95 -1.57 0.00 0.00 175.55 174.53 2wmi s THR 452 N -0.15 0.39 0.00 -0.71 -4.23 -1.26 -5.06 115.64 104.63 2wmi s THR 452 Ca 0.16 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 58.75 2wmi s THR 452 Cb -0.25 -2.56 -0.02 0.00 1.34 0.00 0.00 72.50 71.01 2wmi s THR 452 CO -0.01 0.00 -0.23 -0.36 -0.54 0.00 0.00 174.62 173.48 2wmi s PHE 453 N -3.70 2.04 0.13 3.99 0.08 -1.26 -0.77 117.98 118.50 2wmi s PHE 453 Ca 0.37 -0.39 -0.35 0.00 0.12 0.00 0.00 56.93 56.68 2wmi s PHE 453 Cb 0.06 -1.29 -0.15 0.00 -0.57 0.00 0.00 43.02 41.07 2wmi s PHE 453 CO 0.16 0.01 1.46 0.91 -0.10 0.00 0.00 175.22 177.65 2wmi n TRP 454 N 2.31 1.90 0.00 0.36 7.02 -0.20 -1.45 117.44 127.38 2wmi n TRP 454 Ca -0.16 0.45 0.00 0.00 -1.02 0.00 0.00 57.50 56.77 2wmi n TRP 454 Cb 0.52 -2.44 0.00 0.00 -2.42 0.00 0.00 31.31 26.97 2wmi n TRP 454 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2wmi n GLY 455 N 2.95 0.82 2.14 6.99 0.00 -1.26 -4.57 105.19 112.25 2wmi n GLY 455 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2wmi n GLY 455 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wmi n GLY 456 N -2.00 0.76 3.73 -0.02 0.00 -0.53 -0.58 105.19 106.56 2wmi n GLY 456 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 2wmi n GLY 456 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wmi s ASP 457 N -2.53 4.57 0.17 1.61 1.01 -1.26 -4.12 116.67 116.11 2wmi s ASP 457 Ca 0.00 2.53 0.09 0.00 0.71 0.00 0.00 52.55 55.88 2wmi s ASP 457 Cb 0.00 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.28 2wmi s ASP 457 CO 0.00 -2.02 -0.12 0.42 0.21 0.00 0.00 175.17 173.66 2wmi s THR 458 N -1.56 3.08 0.11 -1.27 -4.23 -1.26 -4.19 115.64 106.31 2wmi s THR 458 Ca 0.80 -1.64 -0.21 0.00 -1.18 0.00 0.00 61.69 59.46 2wmi s THR 458 Cb -0.35 -2.50 -0.11 0.00 1.34 0.00 0.00 72.50 70.89 2wmi s THR 458 CO 0.40 -0.06 1.76 0.25 -0.54 0.00 0.00 174.62 176.43 2wmi h LEU 459 N 3.12 0.11 -0.15 4.79 6.46 -1.97 0.19 115.31 127.85 2wmi h LEU 459 Ca -0.47 -0.00 -0.05 0.00 -0.12 0.00 0.00 57.88 57.24 2wmi h LEU 459 Cb 1.20 -0.02 -0.00 0.00 -0.73 0.00 0.00 40.66 41.10 2wmi h LEU 459 CO 0.52 0.08 -0.10 0.74 -0.62 0.00 0.00 178.44 179.06 2wmi h THR 460 N 0.13 1.33 -0.38 1.05 2.02 -1.96 -1.79 112.91 113.30 2wmi h THR 460 Ca 0.04 -1.19 -0.00 0.00 0.77 0.00 0.00 66.41 66.02 2wmi h THR 460 Cb -0.01 1.78 -0.02 0.00 -1.74 0.00 0.00 68.15 68.16 2wmi h THR 460 CO -0.01 0.35 0.23 1.23 0.37 0.00 0.00 175.52 177.68 2wmi h GLY 461 N -0.01 0.55 0.81 2.16 0.00 -1.96 -0.59 103.07 104.04 2wmi h GLY 461 Ca 0.03 -0.23 -0.00 0.00 0.00 0.00 0.00 47.33 47.12 2wmi h GLY 461 CO 0.03 0.23 -0.22 1.70 0.00 0.00 0.00 176.54 178.27 2wmi h LYS 462 N 0.50 -0.50 -0.33 4.80 1.63 -0.63 -2.37 116.57 119.67 2wmi h LYS 462 Ca 0.14 0.03 0.06 0.00 -0.85 0.00 0.00 60.65 60.03 2wmi h LYS 462 Cb 0.01 0.11 -0.05 0.00 -0.60 0.00 0.00 32.23 31.70 2wmi h LYS 462 CO -0.03 -0.33 -0.01 2.35 -3.45 0.00 0.00 179.45 177.99 2wmi h TRP 463 N -0.52 -0.03 -0.92 1.91 2.91 -1.25 -2.66 115.95 115.40 2wmi h TRP 463 Ca -0.02 0.02 0.06 0.00 1.13 0.00 0.00 58.89 60.09 2wmi h TRP 463 Cb 0.45 0.06 -0.06 0.00 -0.51 0.00 0.00 29.16 29.11 2wmi h TRP 463 CO -0.13 -0.07 0.60 0.93 -1.03 0.00 0.00 178.44 178.74 2wmi h GLU 464 N 0.09 1.02 0.00 2.65 5.08 -0.99 -1.19 114.58 121.24 2wmi h GLU 464 Ca 0.16 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2wmi h GLU 464 Cb 0.22 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.24 2wmi h GLU 464 CO -0.27 0.67 0.00 0.09 -1.00 0.00 0.00 179.01 178.50 2wmi n ASN 465 N -4.49 0.02 -4.69 1.42 3.02 -0.90 -4.76 115.26 104.87 2wmi n ASN 465 Ca 0.14 0.50 -0.42 0.00 -0.03 0.00 0.00 54.58 54.77 2wmi n ASN 465 Cb 0.20 -0.51 -0.03 0.00 -0.61 0.00 0.00 39.78 38.83 2wmi n ASN 465 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2wmi s ILE 466 N -3.00 3.08 0.29 2.41 1.01 -0.45 -4.93 121.20 119.61 2wmi s ILE 466 Ca 0.13 0.53 -0.28 0.00 0.00 0.00 0.00 60.65 61.03 2wmi s ILE 466 Cb 0.18 -3.34 -0.14 0.00 0.01 0.00 0.00 42.46 39.16 2wmi s ILE 466 CO 0.50 -0.00 0.96 -2.65 0.00 0.00 0.00 174.94 173.74 2wmi n PRO 467 N 5.57 1.22 -0.18 2.79 -0.02 -1.26 -4.73 135.00 138.38 2wmi n PRO 467 Ca 0.16 0.43 0.08 0.00 -2.02 0.00 0.00 63.50 62.14 2wmi n PRO 467 Cb 0.41 -1.77 0.37 0.00 -0.02 0.00 0.00 33.50 32.49 2wmi n PRO 467 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2wmi h ASP 468 N 1.87 0.64 0.41 2.55 3.32 -1.91 -0.56 116.42 122.73 2wmi h ASP 468 Ca -0.39 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 56.66 2wmi h ASP 468 Cb 1.35 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 40.77 2wmi h ASP 468 CO 0.60 0.40 -0.06 -2.24 -1.72 0.00 0.00 179.24 176.22 2wmi h ASP 469 N 0.72 0.00 0.55 6.45 2.03 -2.03 -3.02 116.42 121.11 2wmi h ASP 469 Ca 0.32 0.00 -0.05 0.00 -0.73 0.00 0.00 57.03 56.57 2wmi h ASP 469 Cb 0.34 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.83 2wmi h ASP 469 CO -0.11 0.06 -1.50 0.18 -1.03 0.00 0.00 179.24 176.83 2wmi n LEU 470 N -3.36 0.51 -0.34 0.15 4.77 -0.25 -4.50 117.00 113.98 2wmi n LEU 470 Ca -0.02 0.21 0.16 0.00 -0.03 0.00 0.00 56.01 56.33 2wmi n LEU 470 Cb 0.20 0.02 0.38 0.00 -2.33 0.00 0.00 43.42 41.69 2wmi n LEU 470 CO 0.27 -0.02 1.19 0.11 -1.33 0.00 0.00 177.39 177.60 2wmi h LYS 471 N 0.00 0.62 0.00 3.23 1.57 -1.32 0.19 116.57 120.85 2wmi h LYS 471 Ca -0.06 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 2wmi h LYS 471 Cb 1.18 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.35 2wmi h LYS 471 CO 0.01 0.41 0.00 -2.30 -0.57 0.00 0.00 179.45 177.00 2wmi n PRO 472 N -4.77 0.07 -0.01 3.15 -0.02 -1.26 -3.34 135.00 128.82 2wmi n PRO 472 Ca 0.25 0.18 0.01 0.00 -2.02 0.00 0.00 63.50 61.91 2wmi n PRO 472 Cb 0.68 -1.50 0.01 0.00 -0.02 0.00 0.00 33.50 32.67 2wmi n PRO 472 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2wmi n TYR 473 N -1.44 0.02 -4.84 6.00 4.01 0.03 -5.01 117.16 115.92 2wmi n TYR 473 Ca 0.05 -0.13 -0.27 0.00 -0.16 0.00 0.00 57.90 57.40 2wmi n TYR 473 Cb 0.19 -0.01 -0.15 0.00 -0.31 0.00 0.00 39.34 39.06 2wmi n TYR 473 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 2wmi s THR 474 N -0.38 1.72 -0.03 -0.72 -4.23 -1.04 -0.98 115.64 109.98 2wmi s THR 474 Ca 0.03 -1.10 0.01 0.00 -1.18 0.00 0.00 61.69 59.45 2wmi s THR 474 Cb 0.02 -1.47 0.02 0.00 1.34 0.00 0.00 72.50 72.41 2wmi s THR 474 CO 0.03 0.34 -0.04 -0.69 -0.54 0.00 0.00 174.62 173.72 2wmi s VAL 475 N -0.67 0.41 0.01 2.29 1.01 -0.90 -4.88 120.40 117.67 2wmi s VAL 475 Ca 0.08 -0.10 -0.30 0.00 0.00 0.00 0.00 61.98 61.66 2wmi s VAL 475 Cb -0.09 -0.43 -0.07 0.00 0.00 0.00 0.00 36.38 35.79 2wmi s VAL 475 CO 0.01 0.17 1.67 -0.63 0.00 0.00 0.00 175.10 176.32 2wmi s ILE 476 N 0.65 3.30 -0.37 2.22 -1.09 -0.99 -1.18 121.20 123.73 2wmi s ILE 476 Ca -0.08 0.57 -0.08 0.00 -2.23 0.00 0.00 60.65 58.83 2wmi s ILE 476 Cb -0.11 -3.37 0.05 0.00 -1.58 0.00 0.00 42.46 37.46 2wmi s ILE 476 CO -0.00 -0.03 0.18 -1.58 -1.23 0.00 0.00 174.94 172.28 2wmi s GLN 477 N 3.34 2.62 0.27 2.79 0.74 -0.30 0.43 119.66 129.55 2wmi s GLN 477 Ca 0.74 -1.28 -0.29 0.00 0.05 0.00 0.00 55.36 54.58 2wmi s GLN 477 Cb -0.37 -3.62 -0.09 0.00 1.10 0.00 0.00 33.01 30.03 2wmi s GLN 477 CO 0.32 -0.78 0.97 -0.51 -0.55 0.00 0.00 175.29 174.73 2wmi s LEU 478 N 1.43 4.55 -0.03 3.68 1.43 -0.17 -0.55 118.68 129.02 2wmi s LEU 478 Ca 0.01 1.97 0.02 0.00 -1.03 0.00 0.00 54.13 55.10 2wmi s LEU 478 Cb -0.21 -3.72 0.01 0.00 0.03 0.00 0.00 46.19 42.30 2wmi s LEU 478 CO 0.03 0.05 -0.06 -2.28 0.23 0.00 0.00 176.35 174.31 2wmi s HIS 479 N -1.29 0.75 -1.06 0.29 2.46 -0.04 -1.35 115.29 115.05 2wmi s HIS 479 Ca 0.44 -0.18 0.28 0.00 0.47 0.00 0.00 55.06 56.07 2wmi s HIS 479 Cb -0.25 -0.57 1.13 0.00 -0.13 0.00 0.00 32.58 32.76 2wmi s HIS 479 CO 0.31 -0.10 1.85 -0.35 -2.47 0.00 0.00 174.74 173.98 2wmi n PRO 480 N 3.45 0.06 0.00 2.88 -0.04 -1.26 -0.75 135.00 139.34 2wmi n PRO 480 Ca -0.19 -0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.26 2wmi n PRO 480 Cb 0.54 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.50 2wmi n PRO 480 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2wmi n ASP 481 N -1.46 0.00 -1.80 3.54 2.03 -1.26 -1.27 116.55 116.33 2wmi n ASP 481 Ca 0.08 0.00 -0.16 0.00 0.52 0.00 0.00 54.79 55.22 2wmi n ASP 481 Cb 0.33 0.00 0.18 0.00 -0.72 0.00 0.00 41.12 40.91 2wmi n ASP 481 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 2wmi n ASP 482 N 2.35 3.34 -4.59 1.67 5.75 -1.25 -4.71 116.55 119.11 2wmi n ASP 482 Ca 0.00 -3.70 -0.39 0.00 -0.01 0.00 0.00 54.79 50.69 2wmi n ASP 482 Cb 0.00 -0.76 0.03 0.00 -1.03 0.00 0.00 41.12 39.36 2wmi n ASP 482 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2wmi n LEU 483 N -1.13 2.81 -4.62 -2.12 4.77 -0.40 -4.21 117.00 112.10 2wmi n LEU 483 Ca 0.49 0.91 -0.43 0.00 -0.03 0.00 0.00 56.01 56.95 2wmi n LEU 483 Cb 1.38 -1.35 -0.00 0.00 -2.33 0.00 0.00 43.42 41.12 2wmi n LEU 483 CO 0.44 -1.83 0.64 -0.81 -1.33 0.00 0.00 177.39 174.51 2wmi n PRO 484 N -0.33 1.52 -2.94 3.23 -0.04 -1.26 -4.38 135.00 130.80 2wmi n PRO 484 Ca 0.11 0.54 -0.44 0.00 -0.04 0.00 0.00 63.50 63.67 2wmi n PRO 484 Cb 0.43 -2.02 0.00 0.00 -0.04 0.00 0.00 33.50 31.87 2wmi n PRO 484 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2wmi n LYS 485 N 0.47 3.59 -3.68 0.54 5.02 -1.26 -4.48 118.16 118.35 2wmi n LYS 485 Ca 0.08 -4.02 -0.09 0.00 -2.02 0.00 0.00 58.31 52.26 2wmi n LYS 485 Cb 0.36 -2.84 -0.02 0.00 -0.02 0.00 0.00 35.03 32.51 2wmi n LYS 485 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 2wmi s ARG 486 N 0.13 1.56 0.46 1.97 1.70 -1.26 -4.96 118.95 118.56 2wmi s ARG 486 Ca 0.38 -0.78 -0.24 0.00 -0.47 0.00 0.00 55.73 54.62 2wmi s ARG 486 Cb -0.01 0.60 -0.07 0.00 -0.57 0.00 0.00 34.95 34.89 2wmi s ARG 486 CO -0.01 -0.70 1.30 0.34 -1.08 0.00 0.00 175.30 175.15 2wmi s ASP 487 N -2.85 5.96 0.00 -2.89 2.15 -1.26 -3.55 116.67 114.23 2wmi s ASP 487 Ca 0.07 2.62 0.00 0.00 0.43 0.00 0.00 52.55 55.68 2wmi s ASP 487 Cb -0.04 -2.63 0.00 0.00 -0.30 0.00 0.00 42.92 39.95 2wmi s ASP 487 CO -0.01 -1.08 0.00 0.61 -0.17 0.00 0.00 175.17 174.51 2wmi n GLY 488 N 0.62 3.00 0.16 2.66 0.00 -1.26 -4.92 105.19 105.44 2wmi n GLY 488 Ca 0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 2wmi n GLY 488 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wmi h ALA 489 N 0.00 -0.30 -0.58 4.61 0.00 -1.85 -1.20 119.26 119.94 2wmi h ALA 489 Ca 0.00 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 2wmi h ALA 489 Cb 0.00 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2wmi h ALA 489 CO 0.00 -0.54 0.18 0.00 0.00 0.00 0.00 179.25 178.89 2wmi h ALA 490 N 0.15 0.76 -0.85 0.00 0.00 -1.82 -1.88 119.26 115.62 2wmi h ALA 490 Ca -0.03 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.73 2wmi h ALA 490 Cb 0.41 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.92 2wmi h ALA 490 CO 0.05 0.43 0.53 0.00 0.00 0.00 0.00 179.25 180.26 2wmi h ARG 491 N 0.82 0.98 0.12 0.00 3.08 -1.80 -0.09 114.38 117.49 2wmi h ARG 491 Ca 0.19 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.17 2wmi h ARG 491 Cb 0.28 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.12 2wmi h ARG 491 CO -0.01 0.65 -0.06 0.22 -1.07 0.00 0.00 179.97 179.70 2wmi h ASP 492 N 1.00 -0.14 -0.18 7.04 3.58 -1.05 0.26 116.42 126.93 2wmi h ASP 492 Ca 0.36 -0.24 0.00 0.00 0.42 0.00 0.00 57.03 57.57 2wmi h ASP 492 Cb 0.10 0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.17 2wmi h ASP 492 CO -0.15 0.16 0.11 0.15 -2.88 0.00 0.00 179.24 176.64 2wmi h PHE 493 N -0.46 0.23 -0.41 0.28 3.57 -1.29 -1.17 116.94 117.69 2wmi h PHE 493 Ca -0.02 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.44 2wmi h PHE 493 Cb 0.37 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.02 2wmi h PHE 493 CO 0.02 0.16 0.09 1.88 -2.23 0.00 0.00 178.31 178.24 2wmi h TYR 494 N 0.22 0.70 -0.80 0.41 0.05 -0.92 -2.19 116.97 114.44 2wmi h TYR 494 Ca 0.06 -0.09 -0.04 0.00 0.05 0.00 0.00 58.73 58.72 2wmi h TYR 494 Cb -0.00 -0.20 -0.04 0.00 1.01 0.00 0.00 36.73 37.51 2wmi h TYR 494 CO -0.06 0.67 0.35 0.93 -1.05 0.00 0.00 178.16 179.00 2wmi h GLU 495 N 0.53 1.18 -0.46 4.88 5.08 -0.39 -0.56 114.58 124.84 2wmi h GLU 495 Ca 0.13 -0.20 0.08 0.00 -1.00 0.00 0.00 59.36 58.38 2wmi h GLU 495 Cb 0.33 -0.20 -0.07 0.00 0.50 0.00 0.00 28.75 29.30 2wmi h GLU 495 CO 0.00 0.94 0.03 1.25 -1.00 0.00 0.00 179.01 180.23 2wmi h HIS 496 N 1.16 0.04 0.02 4.33 2.76 -1.02 -1.67 115.15 120.77 2wmi h HIS 496 Ca 0.27 0.03 -0.21 0.00 -2.20 0.00 0.00 60.37 58.26 2wmi h HIS 496 Cb 0.17 0.05 -0.01 0.00 1.55 0.00 0.00 27.41 29.18 2wmi h HIS 496 CO 0.02 -0.06 -0.94 0.52 -1.30 0.00 0.00 177.93 176.16 2wmi h MET 497 N 0.15 0.19 -0.45 5.26 2.86 -1.12 -1.81 114.93 120.01 2wmi h MET 497 Ca 0.23 -0.23 -0.10 0.00 -2.06 0.00 0.00 59.70 57.53 2wmi h MET 497 Cb 0.33 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.04 2wmi h MET 497 CO -0.35 1.00 -0.13 -0.07 1.06 0.00 0.00 176.91 178.41 2wmi h LEU 498 N 0.10 0.83 -0.04 1.22 3.38 -1.03 0.19 115.31 119.96 2wmi h LEU 498 Ca -0.05 -0.27 0.01 0.00 0.09 0.00 0.00 57.88 57.66 2wmi h LEU 498 Cb 1.60 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 42.12 2wmi h LEU 498 CO 0.14 0.97 -0.01 -0.33 0.09 0.00 0.00 178.44 179.31 2wmi h GLU 499 N 0.75 0.01 -0.09 1.13 4.39 -1.19 -0.43 114.58 119.13 2wmi h GLU 499 Ca 0.12 -0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.85 2wmi h GLU 499 Cb 0.64 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.25 2wmi h GLU 499 CO 0.04 0.00 -0.10 1.49 -1.16 0.00 0.00 179.01 179.29 2wmi h GLU 500 N 0.01 -0.13 -0.44 2.33 4.81 -0.97 -2.07 114.58 118.13 2wmi h GLU 500 Ca 0.02 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.33 2wmi h GLU 500 Cb 0.03 0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.37 2wmi h GLU 500 CO -0.04 -0.08 0.07 0.00 -0.73 0.00 0.00 179.01 178.23 2wmi h ALA 501 N 0.93 0.47 -0.43 2.92 0.00 -0.59 -2.78 119.26 119.78 2wmi h ALA 501 Ca 0.07 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 2wmi h ALA 501 Cb 0.23 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 2wmi h ALA 501 CO -0.17 -0.33 0.02 0.00 0.00 0.00 0.00 179.25 178.77 2wmi h ALA 502 N 1.35 1.24 -0.01 0.00 0.00 -0.64 -1.29 119.26 119.91 2wmi h ALA 502 Ca 0.22 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2wmi h ALA 502 Cb 0.28 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2wmi h ALA 502 CO -0.30 0.51 -0.17 1.63 0.00 0.00 0.00 179.25 180.92 2wmi n LYS 503 N -4.25 0.92 -1.66 0.00 4.01 -0.82 -4.23 118.16 112.12 2wmi n LYS 503 Ca 0.02 -0.47 -0.45 0.00 -0.51 0.00 0.00 58.31 56.90 2wmi n LYS 503 Cb 0.26 -1.49 -0.03 0.00 -0.51 0.00 0.00 35.03 33.26 2wmi n LYS 503 CO 0.00 0.00 0.00 0.98 -1.11 0.00 0.00 177.40 177.27 2wmi n TYR 504 N -0.63 2.11 -4.05 2.13 9.36 -1.06 -4.89 117.16 120.13 2wmi n TYR 504 Ca 0.14 0.43 -0.34 0.00 3.32 0.00 0.00 57.90 61.45 2wmi n TYR 504 Cb 0.32 -2.46 -0.15 0.00 -0.63 0.00 0.00 39.34 36.43 2wmi n TYR 504 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 2wmi s VAL 505 N 0.11 2.90 -0.38 2.97 1.01 -1.26 -1.39 120.40 124.36 2wmi s VAL 505 Ca 0.71 -0.66 -0.27 0.00 0.00 0.00 0.00 61.98 61.76 2wmi s VAL 505 Cb -0.68 -2.28 -0.07 0.00 0.00 0.00 0.00 36.38 33.35 2wmi s VAL 505 CO 0.48 0.47 2.34 -3.20 0.00 0.00 0.00 175.10 175.18 2wmi n ASN 506 N 4.64 2.69 0.05 3.32 2.85 -0.10 -4.83 115.26 123.88 2wmi n ASN 506 Ca -0.19 -0.17 0.08 0.00 -0.11 0.00 0.00 54.58 54.19 2wmi n ASN 506 Cb 0.51 -1.56 0.37 0.00 1.24 0.00 0.00 39.78 40.34 2wmi n ASN 506 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 2wmi n PRO 507 N 8.88 0.08 0.08 1.20 -0.04 -1.26 0.84 135.00 144.78 2wmi n PRO 507 Ca 0.35 0.35 -0.19 0.00 -0.04 0.00 0.00 63.50 63.97 2wmi n PRO 507 Cb 0.49 -1.65 -0.11 0.00 -0.04 0.00 0.00 33.50 32.19 2wmi n PRO 507 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 2wmi h LYS 508 N 0.00 0.51 -0.00 0.54 3.64 -1.97 -3.38 116.57 115.90 2wmi h LYS 508 Ca 0.00 -0.66 0.00 0.00 -1.27 0.00 0.00 60.65 58.72 2wmi h LYS 508 Cb 0.26 0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 2wmi h LYS 508 CO 0.00 1.27 -0.43 0.25 -2.27 0.00 0.00 179.45 178.28 2wmi n THR 509 N -3.74 0.00 -0.69 1.00 -2.24 0.05 -4.99 114.28 103.67 2wmi n THR 509 Ca -0.11 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 2wmi n THR 509 Cb 0.95 1.03 0.00 0.00 -2.10 0.00 0.00 70.33 70.20 2wmi n THR 509 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wmi n GLY 510 N 1.17 0.10 3.77 3.38 0.00 0.25 -4.98 105.19 108.88 2wmi n GLY 510 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 2wmi n GLY 510 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wmi s LYS 511 N -1.14 4.66 -0.36 1.61 1.02 -1.25 -4.81 119.74 119.46 2wmi s LYS 511 Ca 0.00 1.43 -0.29 0.00 0.02 0.00 0.00 55.97 57.13 2wmi s LYS 511 Cb 0.00 -2.98 -0.00 0.00 -0.52 0.00 0.00 37.83 34.33 2wmi s LYS 511 CO 0.00 0.34 1.48 1.21 -0.92 0.00 0.00 175.35 177.46 2wmi s ASN 512 N -1.41 6.32 -0.47 2.83 2.47 -1.26 -0.92 114.94 122.49 2wmi s ASN 512 Ca 0.47 1.05 0.03 0.00 0.42 0.00 0.00 52.86 54.83 2wmi s ASN 512 Cb -0.22 -2.54 0.13 0.00 -1.45 0.00 0.00 41.25 37.17 2wmi s ASN 512 CO 0.28 -1.40 0.24 -1.61 -3.72 0.00 0.00 177.10 170.89 2wmi s GLU 513 N 4.91 1.64 0.21 0.43 2.02 -0.49 -4.96 118.70 122.45 2wmi s GLU 513 Ca 0.65 -2.30 -0.31 0.00 0.02 0.00 0.00 54.97 53.02 2wmi s GLU 513 Cb -0.17 -2.86 -0.15 0.00 0.10 0.00 0.00 34.13 31.05 2wmi s GLU 513 CO 0.31 -1.12 1.16 -2.30 0.02 0.00 0.00 175.26 173.33 2wmi n PRO 514 N 3.37 1.33 -2.87 0.39 -0.02 -1.26 -4.63 135.00 131.30 2wmi n PRO 514 Ca 0.06 0.47 -0.41 0.00 -2.02 0.00 0.00 63.50 61.60 2wmi n PRO 514 Cb 0.34 -1.96 -0.04 0.00 -0.02 0.00 0.00 33.50 31.81 2wmi n PRO 514 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2wmi s ILE 515 N -0.37 4.91 0.27 4.25 1.01 -0.50 -4.98 121.20 125.80 2wmi s ILE 515 Ca 0.69 1.72 -0.29 0.00 0.00 0.00 0.00 60.65 62.76 2wmi s ILE 515 Cb -0.79 -4.17 -0.09 0.00 0.01 0.00 0.00 42.46 37.42 2wmi s ILE 515 CO 0.54 0.11 1.21 -2.16 0.00 0.00 0.00 174.94 174.64 2wmi s PRO 516 N 1.52 4.49 0.02 2.79 0.04 -1.26 -4.70 135.00 137.90 2wmi s PRO 516 Ca 0.42 1.98 0.04 0.00 0.04 0.00 0.00 61.00 63.49 2wmi s PRO 516 Cb -0.18 -3.16 -0.02 0.00 0.04 0.00 0.00 34.50 31.18 2wmi s PRO 516 CO 0.18 -0.02 -0.13 0.08 0.04 0.00 0.00 177.00 177.15 2wmi s VAL 517 N -0.82 1.01 -0.04 -0.36 1.01 -0.11 -2.33 120.40 118.76 2wmi s VAL 517 Ca 0.49 -0.84 0.06 0.00 0.00 0.00 0.00 61.98 61.69 2wmi s VAL 517 Cb -0.35 -0.91 -0.02 0.00 0.00 0.00 0.00 36.38 35.10 2wmi s VAL 517 CO 0.44 0.06 -0.23 -0.63 0.00 0.00 0.00 175.10 174.74 2wmi s ILE 518 N -0.70 2.32 -0.17 2.22 1.01 0.17 -1.43 121.20 124.62 2wmi s ILE 518 Ca 0.02 -0.99 -0.07 0.00 0.00 0.00 0.00 60.65 59.60 2wmi s ILE 518 Cb -0.07 -1.85 -0.04 0.00 0.01 0.00 0.00 42.46 40.51 2wmi s ILE 518 CO 0.01 0.58 0.08 -0.76 0.00 0.00 0.00 174.94 174.84 2wmi s LEU 519 N -0.50 3.92 -0.31 2.97 1.43 -0.91 -1.00 118.68 124.28 2wmi s LEU 519 Ca 0.07 0.15 -0.29 0.00 -1.03 0.00 0.00 54.13 53.03 2wmi s LEU 519 Cb -0.11 -1.98 0.00 0.00 0.03 0.00 0.00 46.19 44.13 2wmi s LEU 519 CO 0.01 0.22 1.31 -0.89 0.23 0.00 0.00 176.35 177.22 2wmi s THR 520 N 0.11 4.12 -0.36 5.49 2.01 -0.46 0.06 115.64 126.61 2wmi s THR 520 Ca 0.06 1.26 0.10 0.00 0.31 0.00 0.00 61.69 63.42 2wmi s THR 520 Cb -0.12 -4.16 -0.13 0.00 0.01 0.00 0.00 72.50 68.11 2wmi s THR 520 CO 0.00 -0.49 0.38 1.33 -0.69 0.00 0.00 174.62 175.15 2wmi n VAL 521 N 6.27 0.00 -3.69 3.82 0.24 0.08 -4.73 118.33 120.32 2wmi n VAL 521 Ca 0.15 -0.25 -0.11 0.00 -2.04 0.00 0.00 64.34 62.08 2wmi n VAL 521 Cb 0.47 0.80 -0.12 0.00 -1.47 0.00 0.00 33.84 33.52 2wmi n VAL 521 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 2wmi s TYR 522 N -2.18 -0.54 -0.08 6.34 5.04 -1.15 -4.75 117.35 120.03 2wmi s TYR 522 Ca 0.02 1.15 -0.31 0.00 -2.44 0.00 0.00 57.07 55.49 2wmi s TYR 522 Cb 0.08 0.16 0.09 0.00 0.35 0.00 0.00 41.96 42.63 2wmi s TYR 522 CO 0.43 -0.35 0.77 -0.08 -1.34 0.00 0.00 175.55 174.99 2wmi s THR 523 N 1.80 0.00 -1.52 4.34 -1.32 -1.26 -1.53 115.64 116.15 2wmi s THR 523 Ca -0.06 0.00 -0.11 0.00 -1.21 0.00 0.00 61.69 60.31 2wmi s THR 523 Cb -0.10 -1.00 0.08 0.00 -1.51 0.00 0.00 72.50 69.96 2wmi s THR 523 CO -0.11 0.00 0.84 0.00 -2.21 0.00 0.00 174.62 173.14 2wmi n ALA 524 N 0.83 -1.47 -1.40 11.08 0.00 -0.86 -0.25 120.51 128.44 2wmi n ALA 524 Ca -0.16 0.05 -0.14 0.00 0.00 0.00 0.00 53.44 53.19 2wmi n ALA 524 Cb 0.57 -3.58 -0.06 0.00 0.00 0.00 0.00 19.45 16.38 2wmi n ALA 524 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wmi n GLY 525 N -1.65 1.32 2.75 0.00 0.00 -1.25 -2.25 105.19 104.10 2wmi n GLY 525 Ca -0.04 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.83 2wmi n GLY 525 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wmi n ASN 526 N -1.24 -3.46 -4.74 1.61 5.03 0.66 -4.74 115.26 108.39 2wmi n ASN 526 Ca -0.14 0.05 -0.42 0.00 0.87 0.00 0.00 54.58 54.94 2wmi n ASN 526 Cb 0.62 -2.93 -0.02 0.00 -1.02 0.00 0.00 39.78 36.43 2wmi n ASN 526 CO 0.00 0.00 0.00 -0.04 -1.83 0.00 0.00 177.26 175.39 2wmi s MET 527 N -5.34 4.18 0.28 3.52 -1.94 -0.95 -4.45 119.30 114.60 2wmi s MET 527 Ca 0.13 2.46 0.23 0.00 -1.71 0.00 0.00 55.69 56.79 2wmi s MET 527 Cb -0.07 -3.08 1.05 0.00 2.01 0.00 0.00 34.83 34.75 2wmi s MET 527 CO 0.16 -0.58 1.70 -0.35 -0.01 0.00 0.00 175.02 175.94 2wmi n PRO 528 N 2.77 0.18 0.00 2.03 -0.04 -1.26 -0.52 135.00 138.16 2wmi n PRO 528 Ca 0.10 0.50 0.13 0.00 -0.04 0.00 0.00 63.50 64.19 2wmi n PRO 528 Cb 0.38 -1.91 0.47 0.00 -0.04 0.00 0.00 33.50 32.40 2wmi n PRO 528 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 2wmi n TYR 529 N -2.25 0.00 -0.03 0.54 0.18 -1.26 -4.41 117.16 109.92 2wmi n TYR 529 Ca 0.01 0.00 -0.02 0.00 1.88 0.00 0.00 57.90 59.77 2wmi n TYR 529 Cb 0.16 -0.35 -0.06 0.00 -0.38 0.00 0.00 39.34 38.71 2wmi n TYR 529 CO 0.00 0.00 0.00 0.66 -2.08 0.00 0.00 176.86 175.44 2wmi n TYR 530 N -1.41 0.00 -3.72 -3.48 4.01 0.32 -5.08 117.16 107.80 2wmi n TYR 530 Ca 0.08 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.68 2wmi n TYR 530 Cb 0.33 -0.35 -0.10 0.00 -0.31 0.00 0.00 39.34 38.92 2wmi n TYR 530 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 2wmi s THR 531 N -2.28 0.00 0.05 -0.72 -1.32 -0.80 -4.99 115.64 105.59 2wmi s THR 531 Ca -0.04 -0.00 0.31 0.00 -1.21 0.00 0.00 61.69 60.75 2wmi s THR 531 Cb 0.03 -0.64 0.32 0.00 -1.51 0.00 0.00 72.50 70.70 2wmi s THR 531 CO 0.33 -0.00 1.93 0.77 -2.21 0.00 0.00 174.62 175.44 2wmi h SER 532 N 5.40 0.00 0.65 8.08 4.64 -1.78 -2.79 113.55 127.74 2wmi h SER 532 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 2wmi h SER 532 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2wmi h SER 532 CO 0.22 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.18 2wmi h ALA 533 N 2.05 1.00 -1.01 5.18 0.00 -1.92 -2.64 119.26 121.92 2wmi h ALA 533 Ca 0.00 0.00 0.22 0.00 0.00 0.00 0.00 54.91 55.13 2wmi h ALA 533 Cb 0.14 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 17.83 2wmi h ALA 533 CO 0.00 0.00 0.62 1.25 0.00 0.00 0.00 179.25 181.12 2wmi h HIS 534 N 0.00 0.95 -1.41 0.00 6.17 -1.71 -2.83 115.15 116.32 2wmi h HIS 534 Ca 0.00 0.03 -0.62 0.00 0.71 0.00 0.00 60.37 60.49 2wmi h HIS 534 Cb 0.33 -0.28 -0.22 0.00 2.52 0.00 0.00 27.41 29.75 2wmi h HIS 534 CO 0.00 0.14 0.72 0.91 0.71 0.00 0.00 177.93 180.41 2wmi n TRP 535 N -4.77 2.33 -3.83 5.26 8.01 -1.00 -4.70 117.44 118.74 2wmi n TRP 535 Ca 0.25 -2.20 -0.30 0.00 -1.31 0.00 0.00 57.50 53.93 2wmi n TRP 535 Cb 0.69 -1.28 -0.15 0.00 -2.01 0.00 0.00 31.31 28.57 2wmi n TRP 535 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.69 176.17 2wmi s LEU 536 N -3.11 3.25 0.62 -0.99 1.43 -1.07 -4.60 118.68 114.20 2wmi s LEU 536 Ca 0.55 -2.11 -0.15 0.00 -1.03 0.00 0.00 54.13 51.38 2wmi s LEU 536 Cb 0.41 -1.19 -0.02 0.00 0.03 0.00 0.00 46.19 45.42 2wmi s LEU 536 CO -0.27 -0.36 1.07 -0.94 0.23 0.00 0.00 176.35 176.09 2wmi s SER 537 N 0.99 5.55 0.33 2.29 1.04 -1.26 -4.91 113.70 117.73 2wmi s SER 537 Ca 0.12 1.87 0.03 0.00 0.48 0.00 0.00 55.95 58.45 2wmi s SER 537 Cb -0.20 -2.54 0.62 0.00 0.10 0.00 0.00 66.02 64.00 2wmi s SER 537 CO -0.13 -1.33 1.94 0.74 0.98 0.00 0.00 173.24 175.45 2wmi h THR 538 N 0.27 1.06 -0.62 2.02 2.02 -1.98 -1.04 112.91 114.63 2wmi h THR 538 Ca -0.47 -0.31 -0.07 0.00 0.77 0.00 0.00 66.41 66.33 2wmi h THR 538 Cb 1.23 0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 67.68 2wmi h THR 538 CO 0.56 0.17 0.13 -1.28 0.37 0.00 0.00 175.52 175.47 2wmi h SER 539 N 0.91 0.96 -0.82 4.18 0.87 -1.99 -0.74 113.55 116.92 2wmi h SER 539 Ca 0.34 -0.25 -0.00 0.00 -1.23 0.00 0.00 61.79 60.65 2wmi h SER 539 Cb 0.19 -0.25 -0.04 0.00 -0.44 0.00 0.00 62.40 61.85 2wmi h SER 539 CO -0.12 0.96 0.50 -0.25 -0.53 0.00 0.00 176.83 177.40 2wmi h TRP 540 N 0.92 1.08 -0.57 2.24 7.01 -1.79 -1.62 115.95 123.23 2wmi h TRP 540 Ca 0.19 0.00 -0.08 0.00 2.11 0.00 0.00 58.89 61.11 2wmi h TRP 540 Cb 0.39 -0.36 -0.02 0.00 -2.10 0.00 0.00 29.16 27.07 2wmi h TRP 540 CO 0.03 0.72 0.03 0.82 -2.79 0.00 0.00 178.44 177.24 2wmi h ILE 541 N 1.13 1.26 -0.64 2.65 2.04 -0.82 -1.07 117.51 122.07 2wmi h ILE 541 Ca 0.30 -1.09 -0.02 0.00 1.00 0.00 0.00 64.86 65.05 2wmi h ILE 541 Cb -0.05 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 36.84 2wmi h ILE 541 CO -0.06 0.39 0.34 -0.78 0.00 0.00 0.00 178.15 178.04 2wmi h ASP 542 N 0.87 0.81 -0.77 1.72 3.58 -0.98 -1.45 116.42 120.21 2wmi h ASP 542 Ca 0.16 -0.11 0.01 0.00 0.42 0.00 0.00 57.03 57.52 2wmi h ASP 542 Cb 0.51 -0.21 -0.04 0.00 1.72 0.00 0.00 39.33 41.32 2wmi h ASP 542 CO 0.02 0.68 0.51 0.50 -2.88 0.00 0.00 179.24 178.08 2wmi h LYS 543 N 0.87 1.01 -0.21 0.28 3.64 -0.74 -1.81 116.57 119.61 2wmi h LYS 543 Ca 0.22 -0.06 -0.11 0.00 -1.27 0.00 0.00 60.65 59.43 2wmi h LYS 543 Cb 0.06 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 31.66 2wmi h LYS 543 CO -0.03 0.67 -0.29 0.52 -2.27 0.00 0.00 179.45 178.04 2wmi h MET 544 N 1.04 0.56 -0.95 1.90 2.86 -0.71 -0.97 114.93 118.66 2wmi h MET 544 Ca 0.28 -0.33 0.04 0.00 -2.06 0.00 0.00 59.70 57.64 2wmi h MET 544 Cb -0.11 0.03 -0.06 0.00 0.06 0.00 0.00 31.60 31.52 2wmi h MET 544 CO -0.06 0.93 0.62 1.88 1.06 0.00 0.00 176.91 181.34 2wmi h TYR 545 N 0.24 1.15 -0.11 -0.22 0.99 -1.10 0.54 116.97 118.46 2wmi h TYR 545 Ca 0.02 0.03 -0.14 0.00 2.00 0.00 0.00 58.73 60.65 2wmi h TYR 545 Cb 0.87 -0.38 -0.01 0.00 1.00 0.00 0.00 36.73 38.20 2wmi h TYR 545 CO 0.08 0.64 -0.52 1.96 -0.00 0.00 0.00 178.16 180.32 2wmi h GLN 546 N 1.17 0.32 0.04 4.88 4.20 -1.22 -3.25 115.11 121.25 2wmi h GLN 546 Ca 0.39 -0.19 -0.23 0.00 0.06 0.00 0.00 58.65 58.68 2wmi h GLN 546 Cb 0.05 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 2wmi h GLN 546 CO -0.14 0.77 -1.03 -0.22 -0.67 0.00 0.00 178.83 177.54 2wmi h LYS 547 N 0.25 0.20 -4.05 1.46 3.64 -0.82 -3.44 116.57 113.82 2wmi h LYS 547 Ca 0.01 -0.28 -0.64 0.00 -1.27 0.00 0.00 60.65 58.47 2wmi h LYS 547 Cb 1.01 0.09 -0.40 0.00 -0.41 0.00 0.00 32.23 32.52 2wmi h LYS 547 CO 0.09 1.06 -0.70 0.71 -2.27 0.00 0.00 179.45 178.34 2wmi s TYR 548 N -2.94 3.18 0.32 1.91 2.02 0.15 -4.95 117.35 117.04 2wmi s TYR 548 Ca -0.03 -2.83 0.38 0.00 -0.37 0.00 0.00 57.07 54.22 2wmi s TYR 548 Cb 0.09 -2.65 1.85 0.00 -0.40 0.00 0.00 41.96 40.85 2wmi s TYR 548 CO 0.85 -0.87 2.13 -1.35 -1.57 0.00 0.00 175.55 174.74 2wmi h PRO 549 N 7.30 0.00 0.00 -1.71 0.11 -1.86 -1.28 132.00 134.57 2wmi h PRO 549 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 2wmi h PRO 549 Cb 0.98 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.09 2wmi h PRO 549 CO 0.55 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.61 2wmi n ASN 550 N -2.97 0.00 -4.57 -2.05 6.94 -1.26 -4.59 115.26 106.75 2wmi n ASN 550 Ca -0.01 0.23 -0.41 0.00 -0.02 0.00 0.00 54.58 54.37 2wmi n ASN 550 Cb 0.17 -0.40 -0.03 0.00 -2.36 0.00 0.00 39.78 37.16 2wmi n ASN 550 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 2wmi s LEU 551 N -2.79 3.39 0.02 -4.53 2.96 -0.48 -0.93 118.68 116.31 2wmi s LEU 551 Ca 0.17 0.25 0.23 0.00 -0.22 0.00 0.00 54.13 54.55 2wmi s LEU 551 Cb 0.16 -3.01 0.01 0.00 0.50 0.00 0.00 46.19 43.85 2wmi s LEU 551 CO 0.40 -1.73 1.01 1.41 -1.32 0.00 0.00 176.35 176.12 2wmi n HIS 552 N 9.65 0.12 -3.84 5.38 8.25 -0.51 -4.88 115.22 129.38 2wmi n HIS 552 Ca 0.12 0.04 0.04 0.00 -0.26 0.00 0.00 57.72 57.66 2wmi n HIS 552 Cb 0.49 -0.28 0.01 0.00 1.12 0.00 0.00 29.99 31.33 2wmi n HIS 552 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2wmi s GLY 553 N -3.41 -0.31 0.02 -1.41 0.00 -1.24 -1.26 107.32 99.71 2wmi s GLY 553 Ca 0.05 0.44 -0.00 0.00 0.00 0.00 0.00 44.72 45.21 2wmi s GLY 553 CO 0.81 4.04 -0.02 -0.26 0.00 0.00 0.00 173.10 177.67 2wmi s ILE 554 N -2.04 0.12 -0.05 0.90 -4.36 -0.35 -2.14 121.20 113.28 2wmi s ILE 554 Ca 0.25 -0.97 0.03 0.00 -0.26 0.00 0.00 60.65 59.70 2wmi s ILE 554 Cb 0.03 -0.36 0.01 0.00 1.25 0.00 0.00 42.46 43.38 2wmi s ILE 554 CO -0.04 -0.53 -0.12 0.12 0.24 0.00 0.00 174.94 174.61 2wmi s PHE 555 N -1.65 1.36 -0.11 1.37 5.36 0.11 -1.09 117.98 123.34 2wmi s PHE 555 Ca -0.14 -0.43 0.00 0.00 -0.96 0.00 0.00 56.93 55.40 2wmi s PHE 555 Cb -0.09 -0.97 -0.02 0.00 -0.34 0.00 0.00 43.02 41.61 2wmi s PHE 555 CO -0.02 -0.19 -0.10 0.45 -1.46 0.00 0.00 175.22 173.90 2wmi s SER 556 N 0.38 4.29 -0.09 6.13 0.15 -0.15 -0.74 113.70 123.66 2wmi s SER 556 Ca -0.08 -0.20 -0.04 0.00 0.70 0.00 0.00 55.95 56.32 2wmi s SER 556 Cb -0.13 -1.39 0.05 0.00 -1.71 0.00 0.00 66.02 62.84 2wmi s SER 556 CO 0.02 0.24 0.22 0.28 1.20 0.00 0.00 173.24 175.20 2wmi s THR 557 N -0.11 -0.08 -0.33 6.45 -1.32 -0.58 -0.51 115.64 119.16 2wmi s THR 557 Ca -0.00 0.17 -0.09 0.00 -1.21 0.00 0.00 61.69 60.56 2wmi s THR 557 Cb -0.13 -0.34 0.01 0.00 -1.51 0.00 0.00 72.50 70.52 2wmi s THR 557 CO 0.03 0.07 0.42 1.21 -2.21 0.00 0.00 174.62 174.14 2wmi n GLU 558 N 4.34 -1.47 0.00 7.08 2.13 -0.74 -4.03 120.64 127.96 2wmi n GLU 558 Ca -0.24 1.51 0.00 0.00 0.66 0.00 0.00 57.16 59.10 2wmi n GLU 558 Cb 0.52 -4.33 0.00 0.00 0.27 0.00 0.00 31.44 27.90 2wmi n GLU 558 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2wmi n ASN 559 N -0.59 0.62 0.19 4.31 3.02 -1.26 -2.03 115.26 119.51 2wmi n ASN 559 Ca 0.06 -0.88 0.13 0.00 -0.03 0.00 0.00 54.58 53.86 2wmi n ASN 559 Cb 0.35 0.14 0.70 0.00 -0.61 0.00 0.00 39.78 40.35 2wmi n ASN 559 CO 0.00 0.00 0.00 0.10 -2.62 0.00 0.00 177.26 174.74 2wmi h TYR 560 N 0.00 0.00 -0.02 3.10 -0.00 -1.89 -1.34 116.97 116.82 2wmi h TYR 560 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 2wmi h TYR 560 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.83 2wmi h TYR 560 CO 0.00 0.00 -0.10 -2.67 -0.00 0.00 0.00 178.16 175.39 2wmi n TRP 561 N -4.37 0.00 -2.91 0.10 4.27 -1.26 -4.41 117.44 108.86 2wmi n TRP 561 Ca 0.01 0.00 -0.14 0.00 -3.89 0.00 0.00 57.50 53.48 2wmi n TRP 561 Cb 0.24 -0.03 0.01 0.00 -1.36 0.00 0.00 31.31 30.17 2wmi n TRP 561 CO 0.00 0.00 0.00 1.51 -2.29 0.00 0.00 177.69 176.91 2wmi n ILE 562 N 0.16 -0.25 -2.61 -1.67 0.13 -0.52 -5.08 119.36 109.53 2wmi n ILE 562 Ca 0.16 -2.42 -0.42 0.00 -1.10 0.00 0.00 62.75 58.96 2wmi n ILE 562 Cb 0.41 0.25 -0.01 0.00 -0.84 0.00 0.00 39.64 39.45 2wmi n ILE 562 CO 0.00 0.00 0.00 0.86 2.80 0.00 0.00 176.55 180.21 2wmi s TRP 563 N -0.01 2.72 0.42 9.51 -0.11 -1.14 -3.86 118.94 126.47 2wmi s TRP 563 Ca 0.33 -1.29 -0.25 0.00 1.22 0.00 0.00 56.10 56.11 2wmi s TRP 563 Cb 0.21 -4.69 -0.10 0.00 -1.50 0.00 0.00 33.47 27.39 2wmi s TRP 563 CO -0.19 -1.83 1.07 0.00 -4.62 0.00 0.00 176.95 171.38 2wmi n ALA 564 N 8.39 0.45 -0.29 5.86 0.00 -1.26 -4.89 120.51 128.76 2wmi n ALA 564 Ca 0.40 0.24 0.25 0.00 0.00 0.00 0.00 53.44 54.33 2wmi n ALA 564 Cb 0.48 -2.13 0.59 0.00 0.00 0.00 0.00 19.45 18.39 2wmi n ALA 564 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2wmi h ASN 565 N 1.66 0.29 -0.28 0.00 2.35 -1.94 -1.44 115.58 116.22 2wmi h ASN 565 Ca -0.45 0.05 -0.06 0.00 -0.55 0.00 0.00 56.30 55.29 2wmi h ASN 565 Cb 1.33 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.66 2wmi h ASN 565 CO 0.58 0.07 -0.01 -0.90 -1.65 0.00 0.00 177.43 175.52 2wmi n ASP 566 N -4.47 3.41 -0.18 5.81 5.75 -1.26 -4.77 116.55 120.84 2wmi n ASP 566 Ca 0.23 -3.23 -0.04 0.00 -0.01 0.00 0.00 54.79 51.74 2wmi n ASP 566 Cb 0.93 -0.57 0.05 0.00 -1.03 0.00 0.00 41.12 40.51 2wmi n ASP 566 CO 0.00 0.00 0.00 -0.29 -0.11 0.00 0.00 177.20 176.80 2wmi h ILE 567 N 1.45 0.99 -0.34 2.12 2.10 -1.61 0.23 117.51 122.45 2wmi h ILE 567 Ca 0.07 -0.19 -0.06 0.00 1.08 0.00 0.00 64.86 65.75 2wmi h ILE 567 Cb 1.49 0.38 -0.01 0.00 -1.09 0.00 0.00 36.82 37.59 2wmi h ILE 567 CO 0.27 0.10 -0.02 -0.33 -1.08 0.00 0.00 178.15 177.08 2wmi h GLU 568 N 0.56 0.62 -0.90 2.19 3.07 -1.86 -0.49 114.58 117.77 2wmi h GLU 568 Ca 0.23 -0.21 0.07 0.00 -0.50 0.00 0.00 59.36 58.95 2wmi h GLU 568 Cb 0.10 -0.05 -0.07 0.00 -0.84 0.00 0.00 28.75 27.90 2wmi h GLU 568 CO -0.14 0.76 0.57 -0.91 -1.40 0.00 0.00 179.01 177.88 2wmi h ASN 569 N 0.42 0.88 -0.14 1.42 2.35 -1.87 -1.40 115.58 117.24 2wmi h ASN 569 Ca 0.09 0.02 -0.17 0.00 -0.55 0.00 0.00 56.30 55.69 2wmi h ASN 569 Cb 0.49 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.70 2wmi h ASN 569 CO 0.02 0.55 -0.55 0.11 -1.65 0.00 0.00 177.43 175.92 2wmi h LYS 570 N 1.01 0.73 -0.70 0.81 1.79 -0.64 -2.69 116.57 116.89 2wmi h LYS 570 Ca 0.40 -0.46 -0.04 0.00 -2.18 0.00 0.00 60.65 58.36 2wmi h LYS 570 Cb 0.21 0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 30.88 2wmi h LYS 570 CO -0.19 1.09 0.26 0.00 -1.08 0.00 0.00 179.45 179.54 2wmi h ALA 571 N 0.82 0.92 -0.48 3.86 0.00 -0.91 -0.89 119.26 122.57 2wmi h ALA 571 Ca 0.01 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 54.79 2wmi h ALA 571 Cb 1.13 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.59 2wmi h ALA 571 CO 0.11 0.55 0.17 0.00 0.00 0.00 0.00 179.25 180.08 2wmi h ALA 572 N 1.12 0.58 -0.35 0.00 0.00 -1.15 -0.89 119.26 118.57 2wmi h ALA 572 Ca 0.23 0.06 -0.10 0.00 0.00 0.00 0.00 54.91 55.10 2wmi h ALA 572 Cb 0.24 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2wmi h ALA 572 CO -0.02 -0.23 -0.20 -0.44 0.00 0.00 0.00 179.25 178.36 2wmi h ASP 573 N 0.34 0.66 -0.53 0.00 3.32 -1.01 -1.06 116.42 118.13 2wmi h ASP 573 Ca 0.23 -0.22 -0.03 0.00 0.02 0.00 0.00 57.03 57.03 2wmi h ASP 573 Cb 0.24 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 2wmi h ASP 573 CO -0.24 0.86 0.23 1.88 -1.72 0.00 0.00 179.24 180.26 2wmi h TYR 574 N 0.58 0.80 -0.33 4.55 0.05 -0.78 -1.19 116.97 120.65 2wmi h TYR 574 Ca 0.09 -0.05 -0.06 0.00 0.05 0.00 0.00 58.73 58.76 2wmi h TYR 574 Cb 0.67 -0.24 -0.01 0.00 1.01 0.00 0.00 36.73 38.16 2wmi h TYR 574 CO 0.03 0.64 -0.02 1.25 -1.05 0.00 0.00 178.16 179.01 2wmi h LEU 575 N 0.72 0.58 -0.27 3.88 5.85 -1.01 -2.22 115.31 122.84 2wmi h LEU 575 Ca 0.18 -0.32 0.01 0.00 0.84 0.00 0.00 57.88 58.59 2wmi h LEU 575 Cb 0.17 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 2wmi h LEU 575 CO -0.02 0.76 0.15 0.50 -0.34 0.00 0.00 178.44 179.49 2wmi h LYS 576 N 0.39 0.30 -0.23 1.25 3.64 -1.14 0.11 116.57 120.88 2wmi h LYS 576 Ca 0.09 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.38 2wmi h LYS 576 Cb 0.48 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 2wmi h LYS 576 CO 0.02 0.20 -0.18 -0.24 -2.27 0.00 0.00 179.45 176.97 2wmi h VAL 577 N 0.30 1.24 0.11 2.00 3.04 -1.24 -0.41 116.25 121.30 2wmi h VAL 577 Ca 0.11 -1.08 -0.01 0.00 -1.01 0.00 0.00 66.70 64.71 2wmi h VAL 577 Cb 0.02 1.26 0.00 0.00 -2.01 0.00 0.00 31.29 30.56 2wmi h VAL 577 CO -0.07 0.34 -0.05 0.28 -1.01 0.00 0.00 177.57 177.06 2wmi h SER 578 N 0.37 -0.13 -0.83 3.17 0.02 -1.16 -3.00 113.55 111.99 2wmi h SER 578 Ca 0.07 -0.26 0.05 0.00 -0.84 0.00 0.00 61.79 60.81 2wmi h SER 578 Cb 0.54 0.03 -0.05 0.00 0.14 0.00 0.00 62.40 63.06 2wmi h SER 578 CO 0.04 0.19 0.54 0.00 -1.14 0.00 0.00 176.83 176.46 2wmi h ALA 579 N 0.38 1.56 0.00 3.77 0.00 -0.52 -0.49 119.26 123.96 2wmi h ALA 579 Ca -0.02 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2wmi h ALA 579 Cb 0.38 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 2wmi h ALA 579 CO 0.03 0.33 -0.08 -0.22 0.00 0.00 0.00 179.25 179.31 2wmi h LYS 580 N 0.95 0.00 -0.16 0.00 3.64 -1.09 -3.07 116.57 116.84 2wmi h LYS 580 Ca 0.35 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.73 2wmi h LYS 580 Cb 0.16 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 2wmi h LYS 580 CO -0.12 0.08 0.00 0.09 -2.27 0.00 0.00 179.45 177.23 2wmi n ASN 581 N -3.88 2.33 -0.08 4.20 4.13 -0.46 -4.92 115.26 116.57 2wmi n ASN 581 Ca -0.02 -1.70 -0.01 0.00 1.68 0.00 0.00 54.58 54.53 2wmi n ASN 581 Cb 0.17 -0.10 -0.00 0.00 -1.54 0.00 0.00 39.78 38.31 2wmi n ASN 581 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2wmi n GLY 582 N 0.50 0.41 3.99 7.41 0.00 -0.61 -4.82 105.19 112.06 2wmi n GLY 582 Ca 0.08 -0.09 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 2wmi n GLY 582 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wmi s GLY 583 N -2.12 1.77 -0.06 -0.02 0.00 -0.32 -0.64 107.32 105.93 2wmi s GLY 583 Ca 0.00 -1.64 0.01 0.00 0.00 0.00 0.00 44.72 43.08 2wmi s GLY 583 CO 0.00 -1.11 -0.05 -0.19 0.00 0.00 0.00 173.10 171.76 2wmi s TYR 584 N -3.12 3.00 -0.25 1.90 2.02 -0.39 -4.09 117.35 116.42 2wmi s TYR 584 Ca 0.65 0.06 -0.13 0.00 -0.37 0.00 0.00 57.07 57.28 2wmi s TYR 584 Cb -0.06 -1.71 -0.04 0.00 -0.40 0.00 0.00 41.96 39.74 2wmi s TYR 584 CO 0.44 0.38 0.30 0.12 -1.57 0.00 0.00 175.55 175.22 2wmi s PHE 585 N -0.88 3.29 -0.19 2.71 5.36 -0.08 -1.21 117.98 126.99 2wmi s PHE 585 Ca 0.14 0.38 -0.01 0.00 -0.96 0.00 0.00 56.93 56.47 2wmi s PHE 585 Cb -0.11 -2.46 -0.00 0.00 -0.34 0.00 0.00 43.02 40.11 2wmi s PHE 585 CO 0.03 -0.09 -0.11 0.42 -1.46 0.00 0.00 175.22 174.01 2wmi s ILE 586 N 1.57 2.88 -0.18 3.12 -1.09 -0.25 -0.61 121.20 126.64 2wmi s ILE 586 Ca 0.13 -0.67 0.01 0.00 -2.23 0.00 0.00 60.65 57.88 2wmi s ILE 586 Cb -0.15 -2.26 0.03 0.00 -1.58 0.00 0.00 42.46 38.50 2wmi s ILE 586 CO 0.08 0.48 -0.17 0.86 -1.23 0.00 0.00 174.94 174.97 2wmi s TRP 587 N 1.14 2.61 -0.29 3.97 -0.11 0.13 -0.98 118.94 125.40 2wmi s TRP 587 Ca 0.01 -1.57 -0.09 0.00 1.22 0.00 0.00 56.10 55.67 2wmi s TRP 587 Cb -0.14 -1.80 -0.01 0.00 -1.50 0.00 0.00 33.47 30.01 2wmi s TRP 587 CO -0.04 -0.77 0.13 0.00 -4.62 0.00 0.00 176.95 171.66 2wmi s ALA 588 N 1.34 3.26 0.00 5.86 0.00 0.33 -0.87 121.76 131.69 2wmi s ALA 588 Ca 0.03 -1.31 -0.14 0.00 0.00 0.00 0.00 51.96 50.55 2wmi s ALA 588 Cb -0.14 -2.31 0.02 0.00 0.00 0.00 0.00 23.12 20.70 2wmi s ALA 588 CO -0.11 -0.78 0.30 -2.00 0.00 0.00 0.00 175.76 173.17 2wmi s GLU 589 N 1.62 0.70 0.08 0.00 2.56 -0.58 -1.79 118.70 121.30 2wmi s GLU 589 Ca 0.05 -0.29 0.09 0.00 0.00 0.00 0.00 54.97 54.82 2wmi s GLU 589 Cb -0.17 0.31 -0.03 0.00 2.00 0.00 0.00 34.13 36.24 2wmi s GLU 589 CO 0.06 -0.20 -0.23 -1.14 -0.56 0.00 0.00 175.26 173.19 2wmi s GLN 590 N -1.68 1.76 0.00 4.30 2.00 -1.26 -2.93 119.66 121.84 2wmi s GLN 590 Ca -0.11 -1.16 0.00 0.00 -2.00 0.00 0.00 55.36 52.09 2wmi s GLN 590 Cb -0.04 -2.04 0.00 0.00 0.80 0.00 0.00 33.01 31.73 2wmi s GLN 590 CO 0.02 0.50 1.10 -1.71 -0.50 0.00 0.00 175.29 174.69 2wmi n ASN 591 N 1.29 3.06 -4.77 6.67 5.15 -1.26 -4.43 115.26 120.98 2wmi n ASN 591 Ca -0.17 -1.75 -0.40 0.00 -0.60 0.00 0.00 54.58 51.66 2wmi n ASN 591 Cb 0.52 -0.59 -0.02 0.00 -0.53 0.00 0.00 39.78 39.16 2wmi n ASN 591 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 2wmi s ASN 592 N 1.48 6.58 -1.47 1.20 -0.87 -1.26 -3.22 114.94 117.38 2wmi s ASN 592 Ca 0.00 2.59 -0.11 0.00 -1.57 0.00 0.00 52.86 53.77 2wmi s ASN 592 Cb 0.00 -2.64 0.07 0.00 -0.02 0.00 0.00 41.25 38.67 2wmi s ASN 592 CO 0.00 -0.66 0.77 0.61 -2.57 0.00 0.00 177.10 175.25 2wmi n GLY 593 N 0.74 -0.50 2.43 0.66 0.00 -1.26 -1.82 105.19 105.44 2wmi n GLY 593 Ca 0.02 0.15 -0.18 0.00 0.00 0.00 0.00 46.02 46.02 2wmi n GLY 593 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2wmi n SER 594 N -2.61 -5.15 -0.25 1.61 7.64 -1.20 -4.91 113.62 108.76 2wmi n SER 594 Ca 0.01 0.21 0.02 0.00 1.01 0.00 0.00 58.87 60.12 2wmi n SER 594 Cb 0.54 -4.21 0.15 0.00 -1.01 0.00 0.00 64.21 59.68 2wmi n SER 594 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wmi h ALA 595 N 0.42 1.01 -0.26 -0.43 0.00 -1.51 -1.00 119.26 117.48 2wmi h ALA 595 Ca -0.39 0.07 -0.16 0.00 0.00 0.00 0.00 54.91 54.43 2wmi h ALA 595 Cb 1.23 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 2wmi h ALA 595 CO 0.51 -0.09 -0.48 0.82 0.00 0.00 0.00 179.25 180.01 2wmi h ILE 596 N 0.56 1.30 -0.13 0.00 1.08 -1.87 -0.21 117.51 118.24 2wmi h ILE 596 Ca 0.37 -1.68 0.00 0.00 -0.39 0.00 0.00 64.86 63.16 2wmi h ILE 596 Cb 0.44 1.61 -0.01 0.00 -3.07 0.00 0.00 36.82 35.79 2wmi h ILE 596 CO -0.30 0.54 0.08 -0.33 -0.69 0.00 0.00 178.15 177.45 2wmi h GLU 597 N 0.56 0.17 -0.52 2.37 5.08 -1.82 -2.96 114.58 117.46 2wmi h GLU 597 Ca 0.03 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.39 2wmi h GLU 597 Cb 1.04 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.22 2wmi h GLU 597 CO 0.10 0.14 0.32 0.87 -1.00 0.00 0.00 179.01 179.44 2wmi h LYS 598 N 0.15 0.63 -0.92 2.33 1.57 -1.08 -1.85 116.57 117.40 2wmi h LYS 598 Ca 0.05 -0.04 0.22 0.00 -1.87 0.00 0.00 60.65 59.01 2wmi h LYS 598 Cb 0.01 -0.14 -0.06 0.00 0.08 0.00 0.00 32.23 32.11 2wmi h LYS 598 CO -0.01 0.42 0.62 0.00 -0.57 0.00 0.00 179.45 179.90 2wmi h ALA 599 N 1.22 2.34 -0.34 3.86 0.00 -0.88 -0.34 119.26 125.12 2wmi h ALA 599 Ca 0.20 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2wmi h ALA 599 Cb -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2wmi h ALA 599 CO -0.07 -0.64 0.00 1.19 0.00 0.00 0.00 179.25 179.73 2wmi n PHE 600 N -4.47 0.44 0.00 0.00 3.72 -1.05 -4.23 117.46 111.86 2wmi n PHE 600 Ca 0.20 -0.22 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 2wmi n PHE 600 Cb 0.78 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.32 2wmi n PHE 600 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2wmi n GLY 601 N 1.36 1.35 0.27 1.37 0.00 -0.14 -4.52 105.19 104.89 2wmi n GLY 601 Ca 0.18 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.25 2wmi n GLY 601 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2wmi h LYS 602 N 1.08 0.12 -0.65 1.61 3.64 -1.44 0.17 116.57 121.09 2wmi h LYS 602 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2wmi h LYS 602 Cb 0.00 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 2wmi h LYS 602 CO 0.00 0.08 0.00 0.09 -2.27 0.00 0.00 179.45 177.35 2wmi n ASN 603 N -5.32 4.79 0.00 4.20 3.02 -1.26 -4.91 115.26 115.78 2wmi n ASN 603 Ca 0.13 -2.70 0.00 0.00 -0.03 0.00 0.00 54.58 51.98 2wmi n ASN 603 Cb 0.47 -0.63 0.00 0.00 -0.61 0.00 0.00 39.78 39.00 2wmi n ASN 603 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wmi n GLY 604 N 0.61 0.46 3.41 7.41 0.00 0.59 -5.03 105.19 112.64 2wmi n GLY 604 Ca 0.23 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.80 2wmi n GLY 604 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wmi s LYS 605 N -0.92 3.38 0.00 1.61 3.01 -1.25 -4.88 119.74 120.69 2wmi s LYS 605 Ca 0.00 -1.62 0.20 0.00 -1.01 0.00 0.00 55.97 53.54 2wmi s LYS 605 Cb 0.00 -4.56 0.38 0.00 -1.01 0.00 0.00 37.83 32.64 2wmi s LYS 605 CO 0.00 -1.64 1.33 0.44 0.51 0.00 0.00 175.35 175.99 2wmi n ILE 606 N 5.32 0.53 -0.27 2.17 -5.35 -1.26 -3.53 119.36 116.97 2wmi n ILE 606 Ca 0.09 -0.77 0.03 0.00 -0.27 0.00 0.00 62.75 61.84 2wmi n ILE 606 Cb 0.46 0.94 0.17 0.00 -1.74 0.00 0.00 39.64 39.47 2wmi n ILE 606 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2wmi h ALA 607 N 3.92 1.12 -0.27 -1.28 0.00 -1.90 -1.91 119.26 118.94 2wmi h ALA 607 Ca 0.00 0.05 -0.18 0.00 0.00 0.00 0.00 54.91 54.78 2wmi h ALA 607 Cb 0.90 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2wmi h ALA 607 CO 0.00 -0.00 -0.55 0.35 0.00 0.00 0.00 179.25 179.05 2wmi h PHE 608 N 0.68 1.08 -0.45 0.00 3.57 -1.80 -1.05 116.94 118.96 2wmi h PHE 608 Ca 0.39 -0.39 0.09 0.00 3.53 0.00 0.00 57.97 61.59 2wmi h PHE 608 Cb 0.43 -0.20 -0.09 0.00 2.79 0.00 0.00 35.95 38.87 2wmi h PHE 608 CO -0.09 1.22 -0.19 0.37 -2.23 0.00 0.00 178.31 177.39 2wmi h GLN 609 N 0.63 -0.09 -0.77 1.11 4.15 -1.63 -0.16 115.11 118.35 2wmi h GLN 609 Ca 0.01 0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.41 2wmi h GLN 609 Cb 1.16 0.02 -0.04 0.00 0.21 0.00 0.00 27.48 28.84 2wmi h GLN 609 CO 0.12 -0.06 0.37 0.87 -1.93 0.00 0.00 178.83 178.20 2wmi h LYS 610 N -0.09 1.10 -0.51 1.69 1.57 -1.26 -2.23 116.57 116.84 2wmi h LYS 610 Ca 0.22 -0.15 -0.04 0.00 -1.87 0.00 0.00 60.65 58.80 2wmi h LYS 610 Cb 0.43 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 2wmi h LYS 610 CO -0.51 0.85 0.17 1.03 -0.57 0.00 0.00 179.45 180.41 2wmi h SER 611 N 1.10 0.74 -0.87 0.86 0.87 -0.84 -3.05 113.55 112.35 2wmi h SER 611 Ca 0.27 -0.20 -0.00 0.00 -1.23 0.00 0.00 61.79 60.63 2wmi h SER 611 Cb 0.11 -0.19 -0.04 0.00 -0.44 0.00 0.00 62.40 61.83 2wmi h SER 611 CO -0.03 0.74 0.54 0.58 -0.53 0.00 0.00 176.83 178.12 2wmi h VAL 612 N 0.70 1.24 -1.02 2.23 2.07 -0.85 0.11 116.25 120.73 2wmi h VAL 612 Ca 0.17 -0.50 0.25 0.00 0.82 0.00 0.00 66.70 67.44 2wmi h VAL 612 Cb 0.26 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 29.92 2wmi h VAL 612 CO -0.01 0.24 0.62 0.44 0.02 0.00 0.00 177.57 178.89 2wmi h ASP 613 N 1.19 0.62 0.05 0.57 3.32 -1.29 -1.86 116.42 119.01 2wmi h ASP 613 Ca 0.31 0.12 -0.27 0.00 0.02 0.00 0.00 57.03 57.21 2wmi h ASP 613 Cb -0.07 0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.47 2wmi h ASP 613 CO -0.06 0.12 -1.49 0.11 -1.72 0.00 0.00 179.24 176.20 2wmi h LYS 614 N 0.54 0.11 -0.15 3.56 1.57 -1.44 -3.43 116.57 117.34 2wmi h LYS 614 Ca 0.62 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 59.21 2wmi h LYS 614 Cb 1.28 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.65 2wmi h LYS 614 CO -0.41 1.09 -0.02 0.66 -0.57 0.00 0.00 179.45 180.20 2wmi n TYR 615 N -4.09 0.53 0.17 -1.35 4.01 0.35 -4.74 117.16 112.04 2wmi n TYR 615 Ca -0.31 -0.98 0.14 0.00 -0.16 0.00 0.00 57.90 56.59 2wmi n TYR 615 Cb 0.81 -0.25 0.72 0.00 -0.31 0.00 0.00 39.34 40.31 2wmi n TYR 615 CO 0.00 0.00 0.00 0.11 -0.46 0.00 0.00 176.86 176.51 2wmi h TRP 616 N 0.98 0.00 0.00 -0.72 5.08 -1.54 -0.52 115.95 119.23 2wmi h TRP 616 Ca 0.01 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.98 2wmi h TRP 616 Cb 1.26 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.42 2wmi h TRP 616 CO 0.32 0.00 0.00 1.63 -1.28 0.00 0.00 178.44 179.11 2wmi n LYS 617 N -4.29 0.10 -0.16 0.12 5.02 -1.26 -1.96 118.16 115.73 2wmi n LYS 617 Ca 0.02 0.50 0.06 0.00 -2.02 0.00 0.00 58.31 56.86 2wmi n LYS 617 Cb 0.30 -1.77 0.15 0.00 -0.02 0.00 0.00 35.03 33.68 2wmi n LYS 617 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2wmi n ASN 618 N -1.98 2.86 -4.77 4.39 3.02 -0.20 -4.74 115.26 113.83 2wmi n ASN 618 Ca 0.00 -1.95 -0.36 0.00 -0.03 0.00 0.00 54.58 52.24 2wmi n ASN 618 Cb 0.10 -0.22 -0.07 0.00 -0.61 0.00 0.00 39.78 38.98 2wmi n ASN 618 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2wmi s LEU 619 N -1.00 4.28 -0.16 3.41 2.96 -0.87 -0.90 118.68 126.40 2wmi s LEU 619 Ca 0.23 0.42 0.01 0.00 -0.22 0.00 0.00 54.13 54.57 2wmi s LEU 619 Cb 0.12 -2.20 0.01 0.00 0.50 0.00 0.00 46.19 44.62 2wmi s LEU 619 CO 0.16 0.22 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.59 2wmi s ILE 620 N -0.03 2.29 -0.09 6.68 -1.09 0.22 -1.15 121.20 128.03 2wmi s ILE 620 Ca 0.13 -0.89 0.01 0.00 -2.23 0.00 0.00 60.65 57.67 2wmi s ILE 620 Cb -0.12 -1.95 -0.02 0.00 -1.58 0.00 0.00 42.46 38.79 2wmi s ILE 620 CO 0.02 0.53 -0.12 0.12 -1.23 0.00 0.00 174.94 174.27 2wmi s PHE 621 N 0.95 2.81 0.04 3.97 5.99 -1.07 -0.70 117.98 129.98 2wmi s PHE 621 Ca -0.03 -0.30 0.04 0.00 0.00 0.00 0.00 56.93 56.63 2wmi s PHE 621 Cb -0.15 -1.74 -0.02 0.00 0.00 0.00 0.00 43.02 41.10 2wmi s PHE 621 CO -0.04 0.06 -0.11 -1.64 -0.00 0.00 0.00 175.22 173.49 2wmi s MET 622 N -0.29 0.72 0.82 10.12 -1.94 -0.05 -2.00 119.30 126.69 2wmi s MET 622 Ca 0.03 -0.75 -0.12 0.00 -1.71 0.00 0.00 55.69 53.14 2wmi s MET 622 Cb -0.13 -0.65 0.08 0.00 2.01 0.00 0.00 34.83 36.14 2wmi s MET 622 CO 0.03 0.15 1.10 -0.59 -0.01 0.00 0.00 175.02 175.70 2wmi s PHE 623 N -1.05 2.72 -0.27 -0.03 -0.12 -0.67 -1.52 117.98 117.03 2wmi s PHE 623 Ca -0.03 1.15 -0.04 0.00 -0.05 0.00 0.00 56.93 57.96 2wmi s PHE 623 Cb -0.08 -3.15 0.10 0.00 -0.63 0.00 0.00 43.02 39.25 2wmi s PHE 623 CO 0.01 -1.93 0.13 0.21 -0.05 0.00 0.00 175.22 173.60 2wmi s LYS 624 N -5.13 0.18 0.00 1.99 2.20 -1.15 -0.45 119.74 117.38 2wmi s LYS 624 Ca 0.61 -0.45 0.09 0.00 -0.36 0.00 0.00 55.97 55.87 2wmi s LYS 624 Cb -0.15 -1.24 0.28 0.00 -1.51 0.00 0.00 37.83 35.20 2wmi s LYS 624 CO 0.55 -0.97 1.22 0.27 -0.36 0.00 0.00 175.35 176.06 2wmi n ASN 625 N 5.26 1.48 -0.38 1.43 0.23 -0.73 -4.35 115.26 118.19 2wmi n ASN 625 Ca -0.06 -1.98 -0.01 0.00 -0.53 0.00 0.00 54.58 52.00 2wmi n ASN 625 Cb 0.43 -0.18 0.04 0.00 -2.08 0.00 0.00 39.78 38.00 2wmi n ASN 625 CO 0.00 0.00 0.00 0.41 -0.93 0.00 0.00 177.26 176.74 2wmi n THR 626 N 0.30 -0.51 -1.74 5.53 -1.04 -1.26 -3.62 114.28 111.93 2wmi n THR 626 Ca 0.10 2.30 -0.40 0.00 -2.04 0.00 0.00 64.05 64.00 2wmi n THR 626 Cb 0.24 -3.04 -0.01 0.00 -1.82 0.00 0.00 70.33 65.70 2wmi n THR 626 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 2wmi n PRO 627 N -5.45 3.96 0.28 -2.82 -0.04 -1.26 -4.17 135.00 125.50 2wmi n PRO 627 Ca 0.10 -2.90 0.15 0.00 -0.04 0.00 0.00 63.50 60.82 2wmi n PRO 627 Cb 0.40 -2.80 0.80 0.00 -0.04 0.00 0.00 33.50 31.86 2wmi n PRO 627 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wmi h ALA 628 N 5.03 1.19 0.00 0.55 0.00 -1.86 -2.38 119.26 121.79 2wmi h ALA 628 Ca 0.72 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.53 2wmi h ALA 628 Cb 0.37 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 2wmi h ALA 628 CO 1.66 0.10 -0.15 0.00 0.00 0.00 0.00 179.25 180.85 2wmi h ALA 629 N 1.92 1.40 -0.00 0.00 0.00 -1.84 -2.35 119.26 118.39 2wmi h ALA 629 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2wmi h ALA 629 Cb 0.31 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2wmi h ALA 629 CO 0.01 0.19 -0.09 0.39 0.00 0.00 0.00 179.25 179.75 2wmi n GLU 630 N -3.86 0.65 -2.32 0.00 4.71 -0.89 -4.91 120.64 114.02 2wmi n GLU 630 Ca -0.02 -0.19 -0.20 0.00 -0.01 0.00 0.00 57.16 56.74 2wmi n GLU 630 Cb 0.25 -1.50 -0.02 0.00 -1.01 0.00 0.00 31.44 29.17 2wmi n GLU 630 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2wmi n GLY 631 N 1.27 -0.25 0.97 0.62 0.00 -0.88 -4.67 105.19 102.25 2wmi n GLY 631 Ca 0.15 -0.03 0.05 0.00 0.00 0.00 0.00 46.02 46.19 2wmi n GLY 631 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wmi n ASN 632 N -1.83 2.77 0.22 1.61 5.03 -1.26 -3.25 115.26 118.55 2wmi n ASN 632 Ca -0.24 -2.23 -0.16 0.00 0.87 0.00 0.00 54.58 52.82 2wmi n ASN 632 Cb 0.68 -0.42 -0.08 0.00 -1.02 0.00 0.00 39.78 38.94 2wmi n ASN 632 CO 0.00 0.00 0.00 0.44 -1.83 0.00 0.00 177.26 175.87 2wmi h ASP 633 N 2.22 -1.11 -0.28 6.41 3.32 -1.89 -0.87 116.42 124.22 2wmi h ASP 633 Ca 0.00 0.10 -0.10 0.00 0.02 0.00 0.00 57.03 57.05 2wmi h ASP 633 Cb 0.89 0.38 -0.02 0.00 0.22 0.00 0.00 39.33 40.80 2wmi h ASP 633 CO 0.12 -0.53 -0.15 0.77 -1.72 0.00 0.00 179.24 177.73 2wmi h SER 634 N -0.78 0.71 0.09 6.45 4.64 -1.84 -1.68 113.55 121.14 2wmi h SER 634 Ca -0.02 -0.22 -0.28 0.00 -0.47 0.00 0.00 61.79 60.80 2wmi h SER 634 Cb 0.72 -0.19 0.03 0.00 -0.31 0.00 0.00 62.40 62.64 2wmi h SER 634 CO -0.10 0.88 -1.13 0.71 -0.87 0.00 0.00 176.83 176.31 2wmi h THR 635 N 0.64 1.30 -0.57 2.95 1.35 -1.85 -0.73 112.91 116.00 2wmi h THR 635 Ca 0.10 -2.38 -0.02 0.00 -0.55 0.00 0.00 66.41 63.57 2wmi h THR 635 Cb 0.62 2.64 -0.03 0.00 -1.73 0.00 0.00 68.15 69.66 2wmi h THR 635 CO 0.04 0.72 0.30 0.74 -0.25 0.00 0.00 175.52 177.07 2wmi h THR 636 N 0.24 1.20 -0.31 6.82 2.02 -1.12 -1.95 112.91 119.81 2wmi h THR 636 Ca -0.17 -0.52 -0.12 0.00 0.77 0.00 0.00 66.41 66.37 2wmi h THR 636 Cb 1.81 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 68.70 2wmi h THR 636 CO 0.22 0.22 -0.31 -0.08 0.37 0.00 0.00 175.52 175.93 2wmi h GLU 637 N 0.77 0.65 -0.43 6.66 4.81 -1.22 -0.47 114.58 125.34 2wmi h GLU 637 Ca 0.20 -0.29 0.05 0.00 -0.13 0.00 0.00 59.36 59.19 2wmi h GLU 637 Cb 0.08 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.39 2wmi h GLU 637 CO -0.03 0.88 0.16 1.03 -0.73 0.00 0.00 179.01 180.32 2wmi h SER 638 N 0.55 0.17 -0.32 1.04 0.87 -1.02 -1.45 113.55 113.39 2wmi h SER 638 Ca 0.07 0.05 -0.02 0.00 -1.23 0.00 0.00 61.79 60.65 2wmi h SER 638 Cb 0.81 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.78 2wmi h SER 638 CO 0.07 0.13 0.10 1.88 -0.53 0.00 0.00 176.83 178.48 2wmi h TYR 639 N 0.33 0.51 -0.42 2.24 0.05 -0.89 -0.10 116.97 118.67 2wmi h TYR 639 Ca 0.20 -0.05 0.07 0.00 0.05 0.00 0.00 58.73 59.01 2wmi h TYR 639 Cb 0.19 -0.15 -0.06 0.00 1.01 0.00 0.00 36.73 37.72 2wmi h TYR 639 CO -0.15 0.51 0.04 0.52 -1.05 0.00 0.00 178.16 178.03 2wmi h MET 640 N 0.36 0.15 -0.34 4.88 2.86 -0.93 0.16 114.93 122.06 2wmi h MET 640 Ca 0.10 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.73 2wmi h MET 640 Cb 0.24 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.85 2wmi h MET 640 CO -0.00 0.10 0.20 -0.22 1.06 0.00 0.00 176.91 178.04 2wmi h LYS 641 N 0.16 0.47 -0.52 1.72 3.64 -1.10 -2.24 116.57 118.70 2wmi h LYS 641 Ca 0.21 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.45 2wmi h LYS 641 Cb 0.29 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 2wmi h LYS 641 CO -0.32 0.38 -0.05 0.78 -2.27 0.00 0.00 179.45 177.97 2wmi h GLY 642 N 0.44 0.99 1.01 5.01 0.00 -0.60 -1.36 103.07 108.55 2wmi h GLY 642 Ca 0.12 -0.73 0.01 0.00 0.00 0.00 0.00 47.33 46.73 2wmi h GLY 642 CO -0.02 0.67 0.54 1.41 0.00 0.00 0.00 176.54 179.14 2wmi h LEU 643 N 0.83 0.96 0.03 3.11 3.38 -0.66 -1.65 115.31 121.31 2wmi h LEU 643 Ca 0.15 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 2wmi h LEU 643 Cb 0.57 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2wmi h LEU 643 CO 0.03 0.70 -0.01 -0.25 0.09 0.00 0.00 178.44 179.00 2wmi h TRP 644 N 1.12 -0.04 0.00 1.13 7.01 -1.16 0.34 115.95 124.36 2wmi h TRP 644 Ca 0.30 -0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.30 2wmi h TRP 644 Cb -0.12 0.01 -0.00 0.00 -2.10 0.00 0.00 29.16 26.95 2wmi h TRP 644 CO -0.01 0.29 -0.01 -0.07 -2.79 0.00 0.00 178.44 175.84 2wmi h LEU 645 N -0.37 0.00 -3.24 0.65 3.38 -1.09 -1.97 115.31 112.67 2wmi h LEU 645 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wmi h LEU 645 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2wmi h LEU 645 CO 0.01 0.01 0.00 -1.54 0.09 0.00 0.00 178.44 177.01 2wmi n SER 646 N -3.92 4.58 -2.16 -0.43 3.41 -0.63 -4.95 113.62 109.52 2wmi n SER 646 Ca -0.03 -2.65 -0.18 0.00 -0.26 0.00 0.00 58.87 55.76 2wmi n SER 646 Cb 0.09 -0.56 0.00 0.00 -0.26 0.00 0.00 64.21 63.49 2wmi n SER 646 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2wmi n ASN 647 N 0.55 -5.20 -0.64 4.04 3.02 -0.74 -4.88 115.26 111.41 2wmi n ASN 647 Ca 0.24 -0.08 0.12 0.00 -0.03 0.00 0.00 54.58 54.83 2wmi n ASN 647 Cb 0.91 -4.21 0.23 0.00 -0.61 0.00 0.00 39.78 36.10 2wmi n ASN 647 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2wmi n HIS 648 N -4.10 0.00 -3.65 3.10 8.25 0.12 -4.89 115.22 114.04 2wmi n HIS 648 Ca -0.17 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.14 2wmi n HIS 648 Cb 0.64 -0.02 -0.08 0.00 1.12 0.00 0.00 29.99 31.66 2wmi n HIS 648 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 2wmi s THR 649 N -2.17 0.02 0.05 1.59 -1.32 -1.15 -4.90 115.64 107.76 2wmi s THR 649 Ca 0.28 -0.18 -0.20 0.00 -1.21 0.00 0.00 61.69 60.38 2wmi s THR 649 Cb 0.20 -0.79 -0.13 0.00 -1.51 0.00 0.00 72.50 70.27 2wmi s THR 649 CO 0.40 -0.10 1.40 0.22 -2.21 0.00 0.00 174.62 174.33 2wmi h TYR 650 N 3.91 0.41 -4.10 9.09 3.20 -0.47 -3.41 116.97 125.60 2wmi h TYR 650 Ca -0.28 -0.10 -0.21 0.00 3.14 0.00 0.00 58.73 61.28 2wmi h TYR 650 Cb 1.16 -0.09 -0.10 0.00 1.54 0.00 0.00 36.73 39.24 2wmi h TYR 650 CO 0.44 0.67 -0.27 -0.65 -1.64 0.00 0.00 178.16 176.72 2wmi s GLN 651 N -4.54 1.65 0.21 1.82 -1.52 -1.23 -5.04 119.66 111.02 2wmi s GLN 651 Ca -0.14 -1.59 -0.00 0.00 -1.95 0.00 0.00 55.36 51.68 2wmi s GLN 651 Cb 0.06 0.41 -0.04 0.00 -0.22 0.00 0.00 33.01 33.22 2wmi s GLN 651 CO 0.74 -0.66 0.11 1.67 -0.25 0.00 0.00 175.29 176.91 2wmi s TRP 652 N -3.59 1.25 0.00 0.91 1.48 -1.26 -2.61 118.94 115.13 2wmi s TRP 652 Ca 0.30 -1.31 0.00 0.00 -1.06 0.00 0.00 56.10 54.03 2wmi s TRP 652 Cb 0.01 -0.65 0.00 0.00 -1.16 0.00 0.00 33.47 31.67 2wmi s TRP 652 CO 0.15 -0.54 0.00 0.41 -4.06 0.00 0.00 176.95 172.91 2wmi n GLY 653 N -0.31 2.05 3.23 3.67 0.00 -0.85 -1.23 105.19 111.74 2wmi n GLY 653 Ca 0.01 -0.41 -0.13 0.00 0.00 0.00 0.00 46.02 45.49 2wmi n GLY 653 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wmi s GLY 654 N -0.10 -0.15 -0.27 -0.02 0.00 -0.72 -1.68 107.32 104.39 2wmi s GLY 654 Ca 0.00 0.38 -0.07 0.00 0.00 0.00 0.00 44.72 45.03 2wmi s GLY 654 CO 0.00 0.19 0.07 -2.27 0.00 0.00 0.00 173.10 171.09 2wmi s LEU 655 N -1.13 3.59 -0.21 0.66 0.20 0.41 -2.23 118.68 119.96 2wmi s LEU 655 Ca -0.12 -0.42 -0.08 0.00 0.69 0.00 0.00 54.13 54.20 2wmi s LEU 655 Cb -0.05 -1.90 -0.04 0.00 -0.43 0.00 0.00 46.19 43.77 2wmi s LEU 655 CO 0.04 -0.10 0.09 -0.04 -0.29 0.00 0.00 176.35 176.04 2wmi s MET 656 N 1.56 3.91 -0.11 1.98 -1.94 -0.49 -1.77 119.30 122.44 2wmi s MET 656 Ca 0.05 -0.36 -0.00 0.00 -1.71 0.00 0.00 55.69 53.66 2wmi s MET 656 Cb -0.16 -3.31 0.02 0.00 2.01 0.00 0.00 34.83 33.39 2wmi s MET 656 CO 0.03 0.11 -0.09 0.34 -0.01 0.00 0.00 175.02 175.40 2wmi s ASP 657 N 0.84 2.20 0.25 3.03 2.15 -1.26 -1.77 116.67 122.12 2wmi s ASP 657 Ca 0.04 -0.32 0.22 0.00 0.43 0.00 0.00 52.55 52.92 2wmi s ASP 657 Cb -0.13 -0.88 0.97 0.00 -0.30 0.00 0.00 42.92 42.58 2wmi s ASP 657 CO 0.02 -0.10 1.66 0.35 -0.17 0.00 0.00 175.17 176.94 2wmi n THR 658 N 4.81 0.94 0.27 1.71 -2.24 0.55 -1.55 114.28 118.77 2wmi n THR 658 Ca -0.14 0.38 0.09 0.00 -2.27 0.00 0.00 64.05 62.10 2wmi n THR 658 Cb 0.50 -1.32 0.42 0.00 -2.10 0.00 0.00 70.33 67.84 2wmi n THR 658 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 2wmi n TRP 659 N -2.17 0.54 0.01 4.78 7.02 -1.26 -2.07 117.44 124.28 2wmi n TRP 659 Ca 0.01 0.24 0.21 0.00 -1.02 0.00 0.00 57.50 56.94 2wmi n TRP 659 Cb 0.17 -0.89 0.71 0.00 -2.42 0.00 0.00 31.31 28.87 2wmi n TRP 659 CO 0.00 0.00 0.00 1.57 -2.02 0.00 0.00 177.69 177.24 2wmi h LYS 660 N 0.00 0.00 -0.17 -0.99 2.10 -1.44 -0.39 116.57 115.68 2wmi h LYS 660 Ca 0.00 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.54 2wmi h LYS 660 Cb 0.16 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.48 2wmi h LYS 660 CO 0.00 0.00 -0.38 2.35 -2.00 0.00 0.00 179.45 179.42 2wmi h TRP 661 N 0.00 0.42 0.05 0.07 2.91 -1.68 -2.10 115.95 115.63 2wmi h TRP 661 Ca 0.25 -0.11 -0.00 0.00 1.13 0.00 0.00 58.89 60.16 2wmi h TRP 661 Cb 1.05 -0.09 0.00 0.00 -0.51 0.00 0.00 29.16 29.61 2wmi h TRP 661 CO 0.00 0.69 -0.03 -0.92 -1.03 0.00 0.00 178.44 177.16 2wmi h TYR 662 N 0.30 -0.07 -0.15 2.65 3.20 -1.31 -2.10 116.97 119.50 2wmi h TYR 662 Ca 0.03 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.94 2wmi h TYR 662 Cb 0.81 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.09 2wmi h TYR 662 CO 0.02 0.37 0.11 0.93 -1.64 0.00 0.00 178.16 177.95 2wmi h GLU 663 N -0.52 0.00 -0.18 1.82 4.39 -1.06 -1.26 114.58 117.76 2wmi h GLU 663 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 2wmi h GLU 663 Cb 0.46 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 2wmi h GLU 663 CO 0.01 0.00 0.00 0.25 -1.16 0.00 0.00 179.01 178.11 2wmi n THR 664 N -4.42 0.21 -1.70 1.13 -2.24 -0.80 -4.35 114.28 102.11 2wmi n THR 664 Ca 0.01 -0.60 -0.10 0.00 -2.27 0.00 0.00 64.05 61.08 2wmi n THR 664 Cb 0.24 1.28 -0.03 0.00 -2.10 0.00 0.00 70.33 69.72 2wmi n THR 664 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wmi n GLY 665 N 1.42 0.62 3.83 3.38 0.00 -0.48 -4.80 105.19 109.16 2wmi n GLY 665 Ca 0.16 -0.52 -0.31 0.00 0.00 0.00 0.00 46.02 45.36 2wmi n GLY 665 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wmi s LYS 666 N -3.60 3.07 0.00 1.61 1.02 -0.81 -0.44 119.74 120.59 2wmi s LYS 666 Ca 0.00 0.92 0.00 0.00 0.02 0.00 0.00 55.97 56.91 2wmi s LYS 666 Cb 0.00 -2.01 0.00 0.00 -0.52 0.00 0.00 37.83 35.30 2wmi s LYS 666 CO 0.00 -1.00 0.00 -2.67 -0.92 0.00 0.00 175.35 170.76 2wmi n TRP 667 N -3.04 0.00 -1.65 3.18 4.27 -1.26 -4.76 117.44 114.18 2wmi n TRP 667 Ca 0.07 0.00 -0.44 0.00 -3.89 0.00 0.00 57.50 53.24 2wmi n TRP 667 Cb 0.54 0.00 -0.02 0.00 -1.36 0.00 0.00 31.31 30.47 2wmi n TRP 667 CO 0.00 0.00 0.00 1.17 -2.29 0.00 0.00 177.69 176.57 2wmi n LYS 668 N 0.00 1.80 -1.72 -2.67 4.81 -1.26 -4.85 118.16 114.26 2wmi n LYS 668 Ca 0.00 0.63 -0.42 0.00 -0.87 0.00 0.00 58.31 57.65 2wmi n LYS 668 Cb 0.00 -2.16 -0.02 0.00 0.02 0.00 0.00 35.03 32.87 2wmi n LYS 668 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 2wmi n LEU 669 N 1.30 4.03 0.00 3.14 7.94 -1.26 -1.71 117.00 130.43 2wmi n LEU 669 Ca 0.08 1.12 0.00 0.00 -1.11 0.00 0.00 56.01 56.10 2wmi n LEU 669 Cb 0.33 -1.56 0.00 0.00 0.53 0.00 0.00 43.42 42.72 2wmi n LEU 669 CO 0.62 0.06 0.00 0.49 -1.11 0.00 0.00 177.39 177.44 2wmi n PHE 670 N 2.71 0.00 -1.32 1.96 3.72 -1.26 -4.99 117.46 118.28 2wmi n PHE 670 Ca 0.12 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.21 2wmi n PHE 670 Cb 0.35 -0.98 0.10 0.00 -0.94 0.00 0.00 39.48 38.01 2wmi n PHE 670 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2wmi s ALA 671 N -2.00 2.11 0.15 4.37 0.00 -0.70 -4.94 121.76 120.76 2wmi s ALA 671 Ca 0.00 0.10 -0.05 0.00 0.00 0.00 0.00 51.96 52.01 2wmi s ALA 671 Cb 0.00 -3.22 -0.06 0.00 0.00 0.00 0.00 23.12 19.85 2wmi s ALA 671 CO 0.00 -1.85 0.39 0.45 0.00 0.00 0.00 175.76 174.74 2wmi s SER 672 N -3.51 6.49 0.00 0.00 0.15 -1.26 -4.96 113.70 110.60 2wmi s SER 672 Ca 0.61 0.59 0.00 0.00 0.70 0.00 0.00 55.95 57.85 2wmi s SER 672 Cb -0.17 -2.09 0.00 0.00 -1.71 0.00 0.00 66.02 62.05 2wmi s SER 672 CO 0.56 0.04 0.00 0.61 1.20 0.00 0.00 173.24 175.65 2wmi n GLY 673 N 0.02 0.56 3.36 9.45 0.00 -1.26 -4.25 105.19 113.08 2wmi n GLY 673 Ca -0.02 -1.62 -0.33 0.00 0.00 0.00 0.00 46.02 44.04 2wmi n GLY 673 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2wmi s ASN 674 N -1.05 3.87 0.00 1.61 3.84 -1.26 -4.75 114.94 117.20 2wmi s ASN 674 Ca 0.00 -0.34 0.21 0.00 0.21 0.00 0.00 52.86 52.94 2wmi s ASN 674 Cb 0.00 -1.47 0.25 0.00 -0.55 0.00 0.00 41.25 39.49 2wmi s ASN 674 CO 0.00 0.19 1.24 2.30 -2.79 0.00 0.00 177.10 178.04 2wmi n ILE 675 N 3.36 0.20 -4.95 -5.21 -5.35 0.42 -4.91 119.36 102.92 2wmi n ILE 675 Ca -0.18 -0.60 0.00 0.00 -0.27 0.00 0.00 62.75 61.70 2wmi n ILE 675 Cb 0.53 1.25 0.00 0.00 -1.74 0.00 0.00 39.64 39.68 2wmi n ILE 675 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wmi n GLY 676 N 1.25 0.85 2.72 3.28 0.00 -1.24 -4.03 105.19 108.03 2wmi n GLY 676 Ca 0.14 -0.80 -0.42 0.00 0.00 0.00 0.00 46.02 44.95 2wmi n GLY 676 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wmi n LYS 677 N 0.00 4.22 0.00 1.61 5.02 -1.26 -4.07 118.16 123.68 2wmi n LYS 677 Ca 0.00 -3.70 0.00 0.00 -2.02 0.00 0.00 58.31 52.59 2wmi n LYS 677 Cb 0.00 -2.73 0.00 0.00 -0.02 0.00 0.00 35.03 32.28 2wmi n LYS 677 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2wmi n SER 678 N 2.48 3.16 -2.66 4.39 3.41 -1.26 -4.81 113.62 118.32 2wmi n SER 678 Ca 0.47 -0.14 -0.09 0.00 -0.26 0.00 0.00 58.87 58.85 2wmi n SER 678 Cb 0.31 0.92 0.03 0.00 -0.26 0.00 0.00 64.21 65.21 2wmi n SER 678 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wmi n GLN 679 N -1.23 1.15 -0.32 4.33 1.13 -1.26 -4.98 117.38 116.19 2wmi n GLN 679 Ca 0.00 -3.22 -0.03 0.00 -1.94 0.00 0.00 57.00 51.81 2wmi n GLN 679 Cb 0.00 -1.21 0.02 0.00 0.11 0.00 0.00 30.24 29.15 2wmi n GLN 679 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 2wmi h GLY 680 N 2.97 -0.07 2.00 1.08 0.00 -1.94 0.76 103.07 107.87 2wmi h GLY 680 Ca -0.10 0.52 -0.07 0.00 0.00 0.00 0.00 47.33 47.67 2wmi h GLY 680 CO 0.48 -0.19 -0.35 -0.55 0.00 0.00 0.00 176.54 175.94 2wmi h ASP 681 N -0.07 0.00 0.14 0.19 3.32 -1.95 -0.91 116.42 117.14 2wmi h ASP 681 Ca 0.29 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 57.10 2wmi h ASP 681 Cb 0.57 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.13 2wmi h ASP 681 CO -0.88 0.35 -0.93 0.03 -1.72 0.00 0.00 179.24 176.09 2wmi h ARG 682 N 0.00 0.57 -0.15 3.56 3.08 -1.66 -3.35 114.38 116.43 2wmi h ARG 682 Ca -0.00 -0.57 -0.17 0.00 0.07 0.00 0.00 59.98 59.30 2wmi h ARG 682 Cb 1.06 0.15 0.01 0.00 0.08 0.00 0.00 29.97 31.27 2wmi h ARG 682 CO 0.05 1.19 -0.56 1.96 -1.07 0.00 0.00 179.97 181.54 2wmi h GLN 683 N 0.34 0.65 0.00 0.04 4.20 -0.02 -2.75 115.11 117.57 2wmi h GLN 683 Ca -0.09 -0.50 0.00 0.00 0.06 0.00 0.00 58.65 58.13 2wmi h GLN 683 Cb 1.57 0.09 0.00 0.00 0.30 0.00 0.00 27.48 29.44 2wmi h GLN 683 CO 0.17 1.12 0.00 -2.67 -0.67 0.00 0.00 178.83 176.78 2wmi n TRP 684 N -4.13 0.00 0.73 2.96 4.27 -0.43 -1.91 117.44 118.93 2wmi n TRP 684 Ca -0.07 0.00 0.12 0.00 -3.89 0.00 0.00 57.50 53.66 2wmi n TRP 684 Cb 0.63 -0.30 0.14 0.00 -1.36 0.00 0.00 31.31 30.42 2wmi n TRP 684 CO 0.00 0.00 0.00 1.28 -2.29 0.00 0.00 177.69 176.68 2wmi n LEU 685 N -1.30 0.62 0.03 5.67 4.77 -1.04 -4.60 117.00 121.15 2wmi n LEU 685 Ca 0.07 0.05 -0.04 0.00 -0.03 0.00 0.00 56.01 56.05 2wmi n LEU 685 Cb 0.13 -0.17 -0.10 0.00 -2.33 0.00 0.00 43.42 40.94 2wmi n LEU 685 CO 0.12 0.05 -0.23 0.74 -1.33 0.00 0.00 177.39 176.73 2wmi h THR 686 N 0.00 0.86 -2.26 -5.08 2.02 -1.37 -3.47 112.91 103.61 2wmi h THR 686 Ca 0.00 -2.52 -0.58 0.00 0.77 0.00 0.00 66.41 64.08 2wmi h THR 686 Cb 0.65 2.35 0.05 0.00 -1.74 0.00 0.00 68.15 69.46 2wmi h THR 686 CO 0.00 0.49 0.83 1.21 0.37 0.00 0.00 175.52 178.42 2wmi n GLU 687 N -3.06 2.16 -1.63 6.66 2.13 -1.26 -4.87 120.64 120.78 2wmi n GLU 687 Ca -0.10 0.78 -0.46 0.00 0.66 0.00 0.00 57.16 58.05 2wmi n GLU 687 Cb 0.93 -2.56 -0.03 0.00 0.27 0.00 0.00 31.44 30.05 2wmi n GLU 687 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 2wmi n PRO 688 N 3.75 1.64 -0.02 5.31 -0.02 -1.26 -4.89 135.00 139.50 2wmi n PRO 688 Ca 0.17 0.58 -0.09 0.00 -2.02 0.00 0.00 63.50 62.15 2wmi n PRO 688 Cb 0.29 -2.13 -0.02 0.00 -0.02 0.00 0.00 33.50 31.62 2wmi n PRO 688 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2wmi h GLU 689 N 3.42 -0.17 0.00 -0.52 3.07 -1.90 -1.50 114.58 116.98 2wmi h GLU 689 Ca -0.44 0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 58.43 2wmi h GLU 689 Cb 1.31 0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 29.26 2wmi h GLU 689 CO 0.70 -0.11 -0.01 0.66 -1.40 0.00 0.00 179.01 178.84 2wmi h SER 690 N -0.18 0.00 0.29 1.42 4.64 -1.51 -2.42 113.55 115.79 2wmi h SER 690 Ca 0.11 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.37 2wmi h SER 690 Cb 0.34 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.42 2wmi h SER 690 CO -0.28 0.01 -0.28 -0.03 -0.87 0.00 0.00 176.83 175.38 2wmi h MET 691 N 0.00 0.00 -0.39 4.77 -1.53 -1.56 -1.79 114.93 114.43 2wmi h MET 691 Ca -0.00 0.00 -0.02 0.00 -3.44 0.00 0.00 59.70 56.24 2wmi h MET 691 Cb 0.28 0.00 -0.02 0.00 -0.55 0.00 0.00 31.60 31.31 2wmi h MET 691 CO 0.00 0.28 0.16 -0.07 0.14 0.00 0.00 176.91 177.42 2wmi h LEU 692 N 0.00 0.49 -0.63 3.39 -0.00 -1.51 -1.00 115.31 116.05 2wmi h LEU 692 Ca -0.00 -0.05 -0.10 0.00 -0.00 0.00 0.00 57.88 57.73 2wmi h LEU 692 Cb 0.50 -0.13 -0.02 0.00 -0.00 0.00 0.00 40.66 41.02 2wmi h LEU 692 CO 0.04 0.45 -0.05 1.23 -0.00 0.00 0.00 178.44 180.10 2wmi h GLY 693 N 0.70 1.11 1.00 0.83 0.00 -1.48 -0.24 103.07 104.98 2wmi h GLY 693 Ca 0.14 -0.85 -0.00 0.00 0.00 0.00 0.00 47.33 46.62 2wmi h GLY 693 CO -0.01 0.78 0.33 0.83 0.00 0.00 0.00 176.54 178.46 2wmi h GLU 694 N 0.93 0.72 -0.28 4.80 5.08 -1.02 -1.08 114.58 123.72 2wmi h GLU 694 Ca 0.16 -0.06 0.03 0.00 -1.00 0.00 0.00 59.36 58.49 2wmi h GLU 694 Cb 0.61 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 2wmi h GLU 694 CO 0.04 0.51 0.08 0.93 -1.00 0.00 0.00 179.01 179.57 2wmi h GLU 695 N 0.72 0.20 0.00 2.33 5.08 -1.11 -3.09 114.58 118.70 2wmi h GLU 695 Ca 0.19 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.50 2wmi h GLU 695 Cb -0.03 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 2wmi h GLU 695 CO -0.04 0.13 -0.21 0.00 -1.00 0.00 0.00 179.01 177.89 2wmi h ALA 696 N 1.19 1.42 -0.09 3.43 0.00 -0.78 -1.98 119.26 122.44 2wmi h ALA 696 Ca 0.13 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 2wmi h ALA 696 Cb 0.11 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2wmi h ALA 696 CO -0.14 0.26 -0.23 -0.07 0.00 0.00 0.00 179.25 179.07 2wmi h LEU 697 N 0.00 0.15 -1.30 0.00 3.38 -1.12 -1.97 115.31 114.45 2wmi h LEU 697 Ca -0.00 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 2wmi h LEU 697 Cb 0.44 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 2wmi h LEU 697 CO 0.03 0.39 -0.14 1.23 0.09 0.00 0.00 178.44 180.04 2wmi h GLY 698 N 0.86 0.32 0.70 0.83 0.00 -1.38 -1.28 103.07 103.12 2wmi h GLY 698 Ca 0.03 -0.21 -0.02 0.00 0.00 0.00 0.00 47.33 47.13 2wmi h GLY 698 CO 0.03 0.19 -0.16 -2.08 0.00 0.00 0.00 176.54 174.53 2wmi h VAL 699 N 0.28 0.68 0.08 4.60 2.07 -1.49 -3.32 116.25 119.14 2wmi h VAL 699 Ca 0.05 -0.53 0.01 0.00 0.82 0.00 0.00 66.70 67.05 2wmi h VAL 699 Cb 0.42 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 2wmi h VAL 699 CO 0.03 0.10 -0.11 0.22 0.02 0.00 0.00 177.57 177.83 2wmi h TYR 700 N -0.74 -0.27 0.00 1.57 3.20 -1.17 0.95 116.97 120.50 2wmi h TYR 700 Ca -0.04 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.83 2wmi h TYR 700 Cb 0.50 0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.88 2wmi h TYR 700 CO 0.02 -0.16 0.00 1.28 -1.64 0.00 0.00 178.16 177.65 2wmi n LEU 701 N -5.23 0.30 -0.18 2.82 4.77 -0.50 -2.02 117.00 116.98 2wmi n LEU 701 Ca -0.07 0.60 0.04 0.00 -0.03 0.00 0.00 56.01 56.56 2wmi n LEU 701 Cb 0.15 -0.59 0.08 0.00 -2.33 0.00 0.00 43.42 40.73 2wmi n LEU 701 CO 0.30 -0.55 0.55 0.59 -1.33 0.00 0.00 177.39 176.96 2wmi n ASN 702 N -1.87 2.37 0.00 -1.43 4.13 -1.02 -4.91 115.26 112.54 2wmi n ASN 702 Ca 0.01 -2.39 0.00 0.00 1.68 0.00 0.00 54.58 53.89 2wmi n ASN 702 Cb 0.12 -0.19 0.00 0.00 -1.54 0.00 0.00 39.78 38.16 2wmi n ASN 702 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2wmi n GLY 703 N -0.63 0.66 3.79 7.41 0.00 -0.85 -4.98 105.19 110.59 2wmi n GLY 703 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 2wmi n GLY 703 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wmi s GLY 704 N -1.36 2.60 0.00 -0.02 0.00 0.30 -4.80 107.32 104.03 2wmi s GLY 704 Ca 0.00 0.64 0.00 0.00 0.00 0.00 0.00 44.72 45.36 2wmi s GLY 704 CO 0.00 1.00 0.29 3.33 0.00 0.00 0.00 173.10 177.72 2wmi n VAL 705 N -0.61 0.08 -5.08 1.40 0.24 -0.37 -4.22 118.33 109.78 2wmi n VAL 705 Ca 0.08 -0.20 -0.30 0.00 -2.04 0.00 0.00 64.34 61.88 2wmi n VAL 705 Cb 0.51 1.46 -0.17 0.00 -1.47 0.00 0.00 33.84 34.18 2wmi n VAL 705 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 2wmi s VAL 706 N -0.08 1.82 -0.01 3.34 1.01 -1.15 -1.03 120.40 124.30 2wmi s VAL 706 Ca 0.00 -0.90 0.05 0.00 0.00 0.00 0.00 61.98 61.13 2wmi s VAL 706 Cb 0.00 -1.58 -0.01 0.00 0.00 0.00 0.00 36.38 34.79 2wmi s VAL 706 CO 0.00 0.51 -0.15 -0.31 0.00 0.00 0.00 175.10 175.15 2wmi s TYR 707 N 0.25 1.38 0.05 5.22 2.02 -0.15 -1.75 117.35 124.37 2wmi s TYR 707 Ca -0.13 -0.26 -0.16 0.00 -0.37 0.00 0.00 57.07 56.15 2wmi s TYR 707 Cb -0.16 -0.89 0.03 0.00 -0.40 0.00 0.00 41.96 40.54 2wmi s TYR 707 CO 0.06 -0.02 0.36 1.21 -1.57 0.00 0.00 175.55 175.58 2wmi s ASN 708 N -0.36 -0.20 0.03 2.29 3.84 -0.95 -1.44 114.94 118.16 2wmi s ASN 708 Ca 0.06 -0.13 0.00 0.00 0.21 0.00 0.00 52.86 53.00 2wmi s ASN 708 Cb -0.06 0.40 -0.03 0.00 -0.55 0.00 0.00 41.25 41.01 2wmi s ASN 708 CO -0.01 -0.66 -0.04 -0.36 -2.79 0.00 0.00 177.10 173.24 2wmi s PHE 709 N -2.66 0.42 0.12 0.43 0.08 -1.26 -1.39 117.98 113.71 2wmi s PHE 709 Ca -0.04 -0.63 0.02 0.00 0.12 0.00 0.00 56.93 56.40 2wmi s PHE 709 Cb -0.00 -0.28 -0.04 0.00 -0.57 0.00 0.00 43.02 42.12 2wmi s PHE 709 CO -0.04 -0.20 -0.06 -1.21 -0.10 0.00 0.00 175.22 173.61 2wmi s GLU 710 N -2.02 0.92 0.17 0.44 2.02 -0.73 -4.39 118.70 115.13 2wmi s GLU 710 Ca -0.10 -1.39 -0.30 0.00 0.02 0.00 0.00 54.97 53.20 2wmi s GLU 710 Cb -0.06 -0.30 -0.08 0.00 0.10 0.00 0.00 34.13 33.79 2wmi s GLU 710 CO -0.02 -0.02 1.13 -1.58 0.02 0.00 0.00 175.26 174.79 2wmi s HIS 711 N -3.57 3.55 0.48 1.61 2.46 -1.26 -0.33 115.29 118.23 2wmi s HIS 711 Ca 0.15 1.55 0.15 0.00 0.47 0.00 0.00 55.06 57.38 2wmi s HIS 711 Cb 0.05 -3.32 1.14 0.00 -0.13 0.00 0.00 32.58 30.32 2wmi s HIS 711 CO -0.02 -0.76 2.06 -1.35 -2.47 0.00 0.00 174.74 172.19 2wmi h PRO 712 N 5.19 0.22 -0.48 2.88 0.11 -1.95 -0.65 132.00 137.33 2wmi h PRO 712 Ca -0.44 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.57 2wmi h PRO 712 Cb 1.21 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 2wmi h PRO 712 CO 0.73 0.15 -0.05 0.00 -0.21 0.00 0.00 178.00 178.62 2wmi h ALA 713 N 1.82 1.02 0.06 -0.75 0.00 -1.95 -0.10 119.26 119.36 2wmi h ALA 713 Ca 0.15 -0.30 -0.15 0.00 0.00 0.00 0.00 54.91 54.62 2wmi h ALA 713 Cb 0.31 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 2wmi h ALA 713 CO -0.03 0.60 -0.72 -0.92 0.00 0.00 0.00 179.25 178.18 2wmi h TYR 714 N 0.76 0.24 0.00 0.00 3.20 -1.79 -3.11 116.97 116.26 2wmi h TYR 714 Ca 0.14 -0.18 -0.09 0.00 3.14 0.00 0.00 58.73 61.74 2wmi h TYR 714 Cb 0.53 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.78 2wmi h TYR 714 CO 0.03 1.28 -0.45 1.79 -1.64 0.00 0.00 178.16 179.17 2wmi h THR 715 N -0.68 0.96 0.00 1.81 1.35 -1.11 -3.41 112.91 111.84 2wmi h THR 715 Ca -0.16 -1.81 -0.04 0.00 -0.55 0.00 0.00 66.41 63.85 2wmi h THR 715 Cb 1.39 2.10 -0.01 0.00 -1.73 0.00 0.00 68.15 69.89 2wmi h THR 715 CO 0.02 0.44 -0.97 -1.22 -0.25 0.00 0.00 175.52 173.54 2wmi n TYR 716 N -3.48 0.00 -0.31 4.73 4.01 -0.11 -3.58 117.16 118.42 2wmi n TYR 716 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2wmi n TYR 716 Cb 0.59 -0.10 0.00 0.00 -0.31 0.00 0.00 39.34 39.51 2wmi n TYR 716 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2wmi n GLY 717 N 2.89 0.83 3.08 2.72 0.00 -0.85 -0.91 105.19 112.94 2wmi n GLY 717 Ca -0.05 -1.85 -0.08 0.00 0.00 0.00 0.00 46.02 44.04 2wmi n GLY 717 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2wmi s VAL 718 N -2.34 0.24 -1.46 1.61 -7.23 -1.11 -4.22 120.40 105.88 2wmi s VAL 718 Ca 0.00 -1.68 -0.10 0.00 -1.81 0.00 0.00 61.98 58.40 2wmi s VAL 718 Cb 0.00 -1.34 0.05 0.00 0.56 0.00 0.00 36.38 35.65 2wmi s VAL 718 CO 0.00 -0.91 0.79 0.59 -0.31 0.00 0.00 175.10 175.26 2wmi n ASN 719 N 0.33 -5.17 -1.72 4.85 3.02 0.26 -0.64 115.26 116.19 2wmi n ASN 719 Ca -0.15 -0.51 -0.20 0.00 -0.03 0.00 0.00 54.58 53.68 2wmi n ASN 719 Cb 0.60 -4.16 -0.07 0.00 -0.61 0.00 0.00 39.78 35.54 2wmi n ASN 719 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2wmi n ASN 720 N -2.65 -5.34 -4.58 6.41 3.02 -1.26 -4.86 115.26 106.01 2wmi n ASN 720 Ca -0.02 0.41 -0.31 0.00 -0.03 0.00 0.00 54.58 54.64 2wmi n ASN 720 Cb 0.56 -4.68 -0.10 0.00 -0.61 0.00 0.00 39.78 34.95 2wmi n ASN 720 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2wmi s LYS 721 N -3.92 2.31 0.06 3.52 1.02 0.18 -4.85 119.74 118.07 2wmi s LYS 721 Ca 0.00 -0.89 -0.30 0.00 0.02 0.00 0.00 55.97 54.80 2wmi s LYS 721 Cb 0.00 -2.38 -0.05 0.00 -0.52 0.00 0.00 37.83 34.88 2wmi s LYS 721 CO 0.00 0.55 1.02 -1.21 -0.92 0.00 0.00 175.35 174.79 2wmi s GLU 722 N -1.84 4.59 0.77 1.68 2.02 -1.26 -2.76 118.70 121.90 2wmi s GLU 722 Ca 0.19 1.51 -0.11 0.00 0.02 0.00 0.00 54.97 56.59 2wmi s GLU 722 Cb -0.11 -3.40 0.06 0.00 0.10 0.00 0.00 34.13 30.78 2wmi s GLU 722 CO 0.11 0.01 1.10 -1.54 0.02 0.00 0.00 175.26 174.96 2wmi s SER 723 N 0.59 4.43 0.34 -0.19 1.04 -0.08 -4.81 113.70 115.02 2wmi s SER 723 Ca 0.51 1.88 0.05 0.00 0.48 0.00 0.00 55.95 58.87 2wmi s SER 723 Cb -0.24 -2.53 0.60 0.00 0.10 0.00 0.00 66.02 63.95 2wmi s SER 723 CO 0.29 -2.09 1.87 -0.07 0.98 0.00 0.00 173.24 174.23 2wmi h LEU 724 N -1.05 0.47 -0.33 2.42 3.38 -1.87 0.50 115.31 118.82 2wmi h LEU 724 Ca -0.44 -0.09 0.07 0.00 0.09 0.00 0.00 57.88 57.51 2wmi h LEU 724 Cb 1.24 -0.12 -0.08 0.00 0.09 0.00 0.00 40.66 41.79 2wmi h LEU 724 CO 0.51 0.56 -0.19 0.25 0.09 0.00 0.00 178.44 179.66 2wmi h LEU 725 N 0.48 -0.64 0.04 1.67 6.46 -1.90 0.16 115.31 121.57 2wmi h LEU 725 Ca 0.10 0.14 -0.00 0.00 -0.12 0.00 0.00 57.88 58.00 2wmi h LEU 725 Cb 0.36 0.34 0.00 0.00 -0.73 0.00 0.00 40.66 40.62 2wmi h LEU 725 CO 0.01 -0.23 -0.02 0.15 -0.62 0.00 0.00 178.44 177.74 2wmi h PHE 726 N -0.15 -0.05 -0.14 1.25 3.57 -1.44 -1.86 116.94 118.13 2wmi h PHE 726 Ca 0.17 -0.00 -0.17 0.00 3.53 0.00 0.00 57.97 61.50 2wmi h PHE 726 Cb 0.41 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.16 2wmi h PHE 726 CO -0.40 0.07 -0.63 0.66 -2.23 0.00 0.00 178.31 175.78 2wmi h SER 727 N -0.15 0.56 0.19 0.41 4.64 -0.73 0.49 113.55 118.97 2wmi h SER 727 Ca -0.01 -0.33 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 2wmi h SER 727 Cb 0.14 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 2wmi h SER 727 CO 0.01 1.05 -1.52 -0.62 -0.87 0.00 0.00 176.83 174.88 2wmi n GLU 728 N -3.91 0.46 0.02 4.77 -0.58 0.55 -4.29 120.64 117.65 2wmi n GLU 728 Ca -0.04 -0.09 0.00 0.00 -0.42 0.00 0.00 57.16 56.61 2wmi n GLU 728 Cb 0.65 -1.56 0.00 0.00 -0.57 0.00 0.00 31.44 29.95 2wmi n GLU 728 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2wmi n VAL 729 N -2.11 0.35 -0.10 2.62 0.31 -0.77 -4.31 118.33 114.32 2wmi n VAL 729 Ca -0.01 0.12 -0.14 0.00 -0.01 0.00 0.00 64.34 64.30 2wmi n VAL 729 Cb 0.50 -1.12 -0.03 0.00 -0.91 0.00 0.00 33.84 32.28 2wmi n VAL 729 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2wmi h ILE 730 N 0.00 1.27 -0.56 2.52 2.04 -1.11 -0.36 117.51 121.32 2wmi h ILE 730 Ca 0.00 -1.63 -0.06 0.00 1.00 0.00 0.00 64.86 64.17 2wmi h ILE 730 Cb 0.00 1.51 -0.02 0.00 -0.74 0.00 0.00 36.82 37.57 2wmi h ILE 730 CO 0.00 0.54 0.12 0.50 0.00 0.00 0.00 178.15 179.31 2wmi h LYS 731 N 0.71 0.91 -0.35 2.37 3.64 -0.25 -0.06 116.57 123.54 2wmi h LYS 731 Ca 0.04 -0.23 -0.17 0.00 -1.27 0.00 0.00 60.65 59.02 2wmi h LYS 731 Cb 1.06 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.76 2wmi h LYS 731 CO 0.11 0.86 -0.43 0.93 -2.27 0.00 0.00 179.45 178.65 2wmi h GLU 732 N 0.81 0.91 -0.31 1.90 4.39 -1.72 -0.86 114.58 119.70 2wmi h GLU 732 Ca 0.17 -0.50 0.03 0.00 0.34 0.00 0.00 59.36 59.40 2wmi h GLU 732 Cb 0.37 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.02 2wmi h GLU 732 CO 0.01 1.15 0.13 0.35 -1.16 0.00 0.00 179.01 179.48 2wmi h PHE 733 N 0.73 0.23 -0.43 4.33 3.57 -0.98 -1.30 116.94 123.10 2wmi h PHE 733 Ca 0.05 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.46 2wmi h PHE 733 Cb 1.03 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.69 2wmi h PHE 733 CO 0.06 0.12 -0.15 0.35 -2.23 0.00 0.00 178.31 176.46 2wmi h PHE 734 N 0.28 0.90 -0.82 0.41 3.57 -0.88 -1.61 116.94 118.77 2wmi h PHE 734 Ca 0.13 -0.18 -0.01 0.00 3.53 0.00 0.00 57.97 61.44 2wmi h PHE 734 Cb 0.08 -0.22 -0.04 0.00 2.79 0.00 0.00 35.95 38.56 2wmi h PHE 734 CO -0.12 0.90 0.47 0.00 -2.23 0.00 0.00 178.31 177.33 2wmi h ARG 735 N 0.72 1.14 -0.60 1.11 3.08 -1.05 -2.19 114.38 116.59 2wmi h ARG 735 Ca 0.11 -0.12 0.04 0.00 0.07 0.00 0.00 59.98 60.09 2wmi h ARG 735 Cb 0.65 -0.23 -0.05 0.00 0.08 0.00 0.00 29.97 30.42 2wmi h ARG 735 CO 0.05 0.82 0.34 -0.92 -1.07 0.00 0.00 179.97 179.19 2wmi h TYR 736 N 1.14 0.64 0.00 3.04 3.20 -0.43 -1.84 116.97 122.72 2wmi h TYR 736 Ca 0.29 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.18 2wmi h TYR 736 Cb -0.00 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.07 2wmi h TYR 736 CO 0.00 0.33 0.00 -0.39 -1.64 0.00 0.00 178.16 176.46 2wmi h VAL 737 N 0.66 0.00 0.03 1.81 -1.51 -0.91 0.14 116.25 116.46 2wmi h VAL 737 Ca 0.26 -0.62 -0.10 0.00 -1.23 0.00 0.00 66.70 65.00 2wmi h VAL 737 Cb 0.10 1.58 0.01 0.00 -2.13 0.00 0.00 31.29 30.86 2wmi h VAL 737 CO -0.14 0.00 -0.42 0.40 -1.23 0.00 0.00 177.57 176.17 2wmi h ILE 738 N 0.00 1.54 -0.20 7.19 2.04 -1.23 -3.22 117.51 123.62 2wmi h ILE 738 Ca 0.00 -2.14 -0.12 0.00 1.00 0.00 0.00 64.86 63.61 2wmi h ILE 738 Cb 0.75 2.87 -0.01 0.00 -0.74 0.00 0.00 36.82 39.69 2wmi h ILE 738 CO 0.00 0.60 -0.37 0.00 0.00 0.00 0.00 178.15 178.38 2wmi h ALA 739 N 0.21 0.99 -3.00 1.87 0.00 -1.11 -3.34 119.26 114.88 2wmi h ALA 739 Ca -0.06 -0.41 -0.62 0.00 0.00 0.00 0.00 54.91 53.82 2wmi h ALA 739 Cb 1.21 -0.11 -0.41 0.00 0.00 0.00 0.00 17.79 18.48 2wmi h ALA 739 CO 0.08 0.61 -0.65 -1.01 0.00 0.00 0.00 179.25 178.28 2wmi s HIS 740 N -4.27 3.02 0.27 0.00 3.76 0.47 -5.10 115.29 113.44 2wmi s HIS 740 Ca -0.06 -3.10 -0.30 0.00 -0.15 0.00 0.00 55.06 51.45 2wmi s HIS 740 Cb 0.13 -2.38 -0.14 0.00 1.11 0.00 0.00 32.58 31.30 2wmi s HIS 740 CO 0.80 -0.63 1.17 -2.30 -0.85 0.00 0.00 174.74 172.93 2wmi n PRO 741 N 2.35 1.61 -1.00 8.40 -0.02 -1.22 -4.53 135.00 140.60 2wmi n PRO 741 Ca 0.19 0.57 -0.34 0.00 -2.02 0.00 0.00 63.50 61.89 2wmi n PRO 741 Cb 0.37 -2.06 0.10 0.00 -0.02 0.00 0.00 33.50 31.89 2wmi n PRO 741 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wmi n ALA 742 N 0.84 -1.86 -1.78 3.55 0.00 -1.26 -4.85 120.51 115.15 2wmi n ALA 742 Ca 0.10 -0.44 -0.41 0.00 0.00 0.00 0.00 53.44 52.69 2wmi n ALA 742 Cb 0.31 -1.88 -0.01 0.00 0.00 0.00 0.00 19.45 17.87 2wmi n ALA 742 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2wmi s PRO 743 N -3.40 4.15 0.96 0.00 0.04 -1.26 -4.83 135.00 130.66 2wmi s PRO 743 Ca 0.62 2.51 -0.11 0.00 0.04 0.00 0.00 61.00 64.06 2wmi s PRO 743 Cb -0.27 -3.00 0.17 0.00 0.04 0.00 0.00 34.50 31.43 2wmi s PRO 743 CO 0.62 -0.51 1.09 -1.54 0.04 0.00 0.00 177.00 176.71 2wmi s SER 744 N -0.01 2.76 0.20 6.66 1.04 -1.26 -4.40 113.70 118.69 2wmi s SER 744 Ca 0.55 1.76 -0.11 0.00 0.48 0.00 0.00 55.95 58.63 2wmi s SER 744 Cb -0.46 -2.37 0.27 0.00 0.10 0.00 0.00 66.02 63.57 2wmi s SER 744 CO 0.57 -3.13 1.70 0.50 0.98 0.00 0.00 173.24 173.87 2wmi h LYS 745 N -1.88 0.22 -0.21 4.02 3.64 -1.92 0.03 116.57 120.47 2wmi h LYS 745 Ca -0.50 -0.01 0.04 0.00 -1.27 0.00 0.00 60.65 58.91 2wmi h LYS 745 Cb 1.29 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 33.01 2wmi h LYS 745 CO 0.49 0.15 -0.07 1.03 -2.27 0.00 0.00 179.45 178.78 2wmi h SER 746 N 0.23 -0.24 -0.24 4.20 0.87 -1.99 0.88 113.55 117.25 2wmi h SER 746 Ca 0.30 0.07 0.01 0.00 -1.23 0.00 0.00 61.79 60.94 2wmi h SER 746 Cb 0.45 0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.54 2wmi h SER 746 CO -0.40 -0.09 0.12 0.50 -0.53 0.00 0.00 176.83 176.43 2wmi h LYS 747 N -0.02 0.25 -0.58 2.24 1.63 -1.81 0.15 116.57 118.43 2wmi h LYS 747 Ca 0.11 -0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 59.87 2wmi h LYS 747 Cb 0.18 -0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 31.73 2wmi h LYS 747 CO -0.23 0.17 0.27 0.28 -3.45 0.00 0.00 179.45 176.49 2wmi h VAL 748 N 0.26 1.21 0.47 2.00 2.07 -0.66 -1.40 116.25 120.20 2wmi h VAL 748 Ca 0.10 -0.60 -0.01 0.00 0.82 0.00 0.00 66.70 67.00 2wmi h VAL 748 Cb 0.02 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 2wmi h VAL 748 CO -0.07 0.24 -0.35 -0.07 0.02 0.00 0.00 177.57 177.35 2wmi h LEU 749 N 0.79 -0.91 -0.97 2.57 3.38 -0.48 -1.74 115.31 117.96 2wmi h LEU 749 Ca 0.20 0.06 0.30 0.00 0.09 0.00 0.00 57.88 58.53 2wmi h LEU 749 Cb 0.13 0.29 -0.15 0.00 0.09 0.00 0.00 40.66 41.02 2wmi h LEU 749 CO -0.02 -0.52 0.49 -0.33 0.09 0.00 0.00 178.44 178.15 2wmi h GLU 750 N -0.81 0.31 0.00 1.13 5.08 -0.58 -1.43 114.58 118.29 2wmi h GLU 750 Ca -0.05 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2wmi h GLU 750 Cb 0.68 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.86 2wmi h GLU 750 CO 0.01 0.21 -0.17 -0.44 -1.00 0.00 0.00 179.01 177.61 2wmi h ASP 751 N 0.32 0.00 -3.22 1.42 3.32 -0.91 -3.46 116.42 113.90 2wmi h ASP 751 Ca 0.69 -0.04 -0.55 0.00 0.02 0.00 0.00 57.03 57.14 2wmi h ASP 751 Cb 1.51 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 41.03 2wmi h ASP 751 CO -0.61 0.02 0.58 -0.89 -1.72 0.00 0.00 179.24 176.62 2wmi s THR 752 N -3.15 4.52 -0.16 0.35 2.01 -0.54 -4.93 115.64 113.74 2wmi s THR 752 Ca 0.08 1.81 0.18 0.00 0.31 0.00 0.00 61.69 64.08 2wmi s THR 752 Cb 0.11 -4.16 -0.26 0.00 0.01 0.00 0.00 72.50 68.20 2wmi s THR 752 CO 0.65 0.04 0.20 0.29 -0.69 0.00 0.00 174.62 175.10 2wmi n LYS 753 N 4.74 0.68 -4.20 4.92 4.76 -1.26 -4.49 118.16 123.31 2wmi n LYS 753 Ca 0.09 -0.02 -0.17 0.00 -2.87 0.00 0.00 58.31 55.34 2wmi n LYS 753 Cb 0.48 -1.54 -0.15 0.00 -1.84 0.00 0.00 35.03 31.98 2wmi n LYS 753 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2wmi s VAL 754 N -2.68 0.48 -0.08 -0.18 1.01 -1.26 -1.43 120.40 116.26 2wmi s VAL 754 Ca -0.09 -0.23 -0.00 0.00 0.00 0.00 0.00 61.98 61.66 2wmi s VAL 754 Cb 0.08 -0.43 0.02 0.00 0.00 0.00 0.00 36.38 36.05 2wmi s VAL 754 CO 0.84 0.15 -0.04 0.12 0.00 0.00 0.00 175.10 176.17 2wmi s PHE 755 N 0.07 1.03 -0.04 5.22 5.36 -0.05 -4.35 117.98 125.22 2wmi s PHE 755 Ca -0.00 -0.41 -0.18 0.00 -0.96 0.00 0.00 56.93 55.38 2wmi s PHE 755 Cb -0.05 -0.96 -0.05 0.00 -0.34 0.00 0.00 43.02 41.62 2wmi s PHE 755 CO -0.00 -0.37 0.50 0.42 -1.46 0.00 0.00 175.22 174.30 2wmi s ILE 756 N 1.63 5.03 -0.26 3.12 1.01 -0.02 -1.04 121.20 130.68 2wmi s ILE 756 Ca 0.01 1.02 -0.02 0.00 0.00 0.00 0.00 60.65 61.67 2wmi s ILE 756 Cb -0.13 -3.83 0.03 0.00 0.01 0.00 0.00 42.46 38.54 2wmi s ILE 756 CO -0.05 0.44 -0.05 -2.28 0.00 0.00 0.00 174.94 173.00 2wmi s HIS 757 N -0.21 3.10 0.00 3.97 5.65 0.02 -1.57 115.29 126.24 2wmi s HIS 757 Ca 0.27 -1.59 0.00 0.00 0.25 0.00 0.00 55.06 53.99 2wmi s HIS 757 Cb -0.17 -2.07 0.00 0.00 -1.18 0.00 0.00 32.58 29.17 2wmi s HIS 757 CO 0.14 -0.74 0.00 0.41 -0.65 0.00 0.00 174.74 173.90 2wmi n GLY 758 N 4.66 0.97 3.54 1.59 0.00 -0.49 -1.03 105.19 114.44 2wmi n GLY 758 Ca -0.16 -1.50 -0.41 0.00 0.00 0.00 0.00 46.02 43.94 2wmi n GLY 758 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wmi s ASP 759 N 0.00 6.27 0.56 1.61 1.01 -1.26 -3.60 116.67 121.26 2wmi s ASP 759 Ca 0.00 -0.17 0.25 0.00 0.71 0.00 0.00 52.55 53.34 2wmi s ASP 759 Cb 0.00 -2.25 1.55 0.00 1.01 0.00 0.00 42.92 43.23 2wmi s ASP 759 CO 0.00 -0.48 2.13 1.88 0.21 0.00 0.00 175.17 178.91 2wmi h TYR 760 N 8.52 0.00 0.00 4.23 0.05 -1.95 -1.86 116.97 125.95 2wmi h TYR 760 Ca -0.28 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.50 2wmi h TYR 760 Cb 1.12 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.86 2wmi h TYR 760 CO 0.70 0.00 -0.00 0.66 -1.05 0.00 0.00 178.16 178.47 2wmi h SER 761 N 0.00 0.00 -0.22 3.88 4.64 -1.93 -1.12 113.55 118.80 2wmi h SER 761 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 2wmi h SER 761 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 2wmi h SER 761 CO -0.00 0.00 0.00 -3.20 -0.87 0.00 0.00 176.83 172.76 2wmi n ASN 762 N -3.10 3.25 -1.22 4.97 5.15 -0.70 -4.43 115.26 119.18 2wmi n ASN 762 Ca -0.03 -2.00 0.04 0.00 -0.60 0.00 0.00 54.58 52.00 2wmi n ASN 762 Cb 0.10 -0.13 0.06 0.00 -0.53 0.00 0.00 39.78 39.28 2wmi n ASN 762 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2wmi n LYS 763 N 1.43 0.33 -0.41 1.20 4.76 -0.53 -5.00 118.16 119.94 2wmi n LYS 763 Ca 0.17 -2.18 0.00 0.00 -2.87 0.00 0.00 58.31 53.43 2wmi n LYS 763 Cb 0.61 -0.38 0.00 0.00 -1.84 0.00 0.00 35.03 33.42 2wmi n LYS 763 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2wmi n GLY 764 N 0.11 0.79 7.00 0.72 0.00 -1.16 -4.22 105.19 108.43 2wmi n GLY 764 Ca 0.08 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wmi n GLY 764 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wmi n ASN 765 N 0.15 0.00 0.21 1.61 3.02 -0.58 -1.28 115.26 118.38 2wmi n ASN 765 Ca 0.00 0.00 0.17 0.00 -0.03 0.00 0.00 54.58 54.72 2wmi n ASN 765 Cb 0.00 0.00 0.82 0.00 -0.61 0.00 0.00 39.78 39.99 2wmi n ASN 765 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 2wmi h GLY 766 N 0.00 0.00 1.40 7.41 0.00 -1.82 -1.55 103.07 108.51 2wmi h GLY 766 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.40 2wmi h GLY 766 CO 0.00 0.00 0.24 0.50 0.00 0.00 0.00 176.54 177.28 2wmi h LYS 767 N 0.00 0.00 -0.81 4.80 1.57 -1.47 -2.67 116.57 117.98 2wmi h LYS 767 Ca 0.08 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.94 2wmi h LYS 767 Cb 0.46 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.71 2wmi h LYS 767 CO -0.00 0.00 0.53 0.35 -0.57 0.00 0.00 179.45 179.76 2wmi h PHE 768 N 0.00 0.87 -0.01 -1.35 3.57 -1.43 -2.59 116.94 116.00 2wmi h PHE 768 Ca 0.11 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.63 2wmi h PHE 768 Cb 0.58 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.03 2wmi h PHE 768 CO 0.00 0.44 -0.63 1.19 -2.23 0.00 0.00 178.31 177.08 2wmi n PHE 769 N -4.50 0.00 -2.13 0.41 3.72 -1.01 -4.83 117.46 109.12 2wmi n PHE 769 Ca 0.13 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.11 2wmi n PHE 769 Cb 0.25 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 38.75 2wmi n PHE 769 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 2wmi s VAL 770 N -2.66 3.00 0.00 -4.37 1.01 -0.98 -0.95 120.40 115.45 2wmi s VAL 770 Ca 0.15 0.82 0.00 0.00 0.00 0.00 0.00 61.98 62.95 2wmi s VAL 770 Cb 0.17 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 33.03 2wmi s VAL 770 CO 0.67 0.12 0.00 0.59 0.00 0.00 0.00 175.10 176.48 2wmi n ASN 771 N 2.66 -4.69 -0.01 3.32 5.03 0.40 -4.81 115.26 117.17 2wmi n ASN 771 Ca 0.07 0.00 -0.01 0.00 0.87 0.00 0.00 54.58 55.51 2wmi n ASN 771 Cb 0.42 -2.45 -0.00 0.00 -1.02 0.00 0.00 39.78 36.73 2wmi n ASN 771 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 2wmi n VAL 772 N -2.31 0.19 -1.11 2.41 0.31 -0.13 -4.94 118.33 112.74 2wmi n VAL 772 Ca 0.00 0.36 0.00 0.00 -0.01 0.00 0.00 64.34 64.69 2wmi n VAL 772 Cb 0.31 -1.49 0.01 0.00 -0.91 0.00 0.00 33.84 31.76 2wmi n VAL 772 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 2wmi n ASN 773 N -2.73 0.32 -4.33 4.52 0.23 -0.49 -4.84 115.26 107.94 2wmi n ASN 773 Ca -0.01 -1.42 -0.24 0.00 -0.53 0.00 0.00 54.58 52.38 2wmi n ASN 773 Cb 0.05 -0.06 -0.12 0.00 -2.08 0.00 0.00 39.78 37.57 2wmi n ASN 773 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 2wmi s THR 774 N -0.23 1.88 -1.90 5.53 -4.23 -0.87 -1.34 115.64 114.48 2wmi s THR 774 Ca 0.01 -1.80 0.25 0.00 -1.18 0.00 0.00 61.69 58.98 2wmi s THR 774 Cb 0.01 -1.80 0.21 0.00 1.34 0.00 0.00 72.50 72.26 2wmi s THR 774 CO 0.00 -0.18 1.44 -0.90 -0.54 0.00 0.00 174.62 174.44 2wmi n ASP 775 N 0.58 1.37 -3.59 3.99 5.75 -1.26 -0.45 116.55 122.94 2wmi n ASP 775 Ca -0.15 -1.12 -0.06 0.00 -0.01 0.00 0.00 54.79 53.45 2wmi n ASP 775 Cb 0.55 0.22 -0.02 0.00 -1.03 0.00 0.00 41.12 40.85 2wmi n ASP 775 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2wmi s ARG 776 N -2.46 0.77 0.19 0.11 1.70 -1.26 -4.82 118.95 113.19 2wmi s ARG 776 Ca 0.24 -0.34 -0.00 0.00 -0.47 0.00 0.00 55.73 55.15 2wmi s ARG 776 Cb 0.19 0.32 0.10 0.00 -0.57 0.00 0.00 34.95 34.98 2wmi s ARG 776 CO 0.52 -0.34 1.46 1.49 -1.08 0.00 0.00 175.30 177.35 2wmi h GLU 777 N 2.00 0.36 -3.50 3.89 4.81 -1.93 -3.39 114.58 116.83 2wmi h GLU 777 Ca -0.21 -0.29 -0.79 0.00 -0.13 0.00 0.00 59.36 57.94 2wmi h GLU 777 Cb 1.22 0.06 -0.29 0.00 0.63 0.00 0.00 28.75 30.37 2wmi h GLU 777 CO 0.28 0.93 0.41 1.04 -0.73 0.00 0.00 179.01 180.94 2wmi n GLN 778 N -3.84 3.50 -3.64 1.92 6.02 -1.26 -4.27 117.38 115.80 2wmi n GLN 778 Ca -0.04 -4.47 -0.15 0.00 -0.01 0.00 0.00 57.00 52.33 2wmi n GLN 778 Cb 0.69 -2.53 -0.08 0.00 1.02 0.00 0.00 30.24 29.34 2wmi n GLN 778 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 2wmi s THR 779 N -1.39 0.01 -2.05 5.09 -1.32 -1.26 -5.02 115.64 109.70 2wmi s THR 779 Ca 0.31 -0.09 0.20 0.00 -1.21 0.00 0.00 61.69 60.90 2wmi s THR 779 Cb -0.09 -0.84 0.56 0.00 -1.51 0.00 0.00 72.50 70.62 2wmi s THR 779 CO -0.08 -0.05 1.47 -0.81 -2.21 0.00 0.00 174.62 172.95 2wmi n PRO 780 N 1.90 2.48 -4.12 7.08 -0.04 -1.26 -4.70 135.00 136.34 2wmi n PRO 780 Ca -0.17 -2.29 -0.24 0.00 -0.04 0.00 0.00 63.50 60.76 2wmi n PRO 780 Cb 0.56 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.45 2wmi n PRO 780 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2wmi s LEU 781 N -1.05 3.17 0.21 1.53 1.43 -1.26 -4.71 118.68 117.99 2wmi s LEU 781 Ca 0.43 -0.93 0.10 0.00 -1.03 0.00 0.00 54.13 52.69 2wmi s LEU 781 Cb 0.22 -1.57 -0.04 0.00 0.03 0.00 0.00 46.19 44.83 2wmi s LEU 781 CO 0.29 -0.41 -0.10 -0.31 0.23 0.00 0.00 176.35 176.06 2wmi s TYR 782 N -2.51 2.58 -0.48 0.29 2.02 -1.26 -4.73 117.35 113.25 2wmi s TYR 782 Ca 0.39 -0.24 0.16 0.00 -0.37 0.00 0.00 57.07 57.01 2wmi s TYR 782 Cb 0.00 -1.23 -0.21 0.00 -0.40 0.00 0.00 41.96 40.13 2wmi s TYR 782 CO 0.22 0.55 0.56 0.00 -1.57 0.00 0.00 175.55 175.32 2wmi n MET 783 N -0.17 1.23 -3.79 -0.62 0.00 -0.45 -4.63 117.12 108.70 2wmi n MET 783 Ca -0.10 -0.06 -0.13 0.00 0.00 0.00 0.00 57.70 57.42 2wmi n MET 783 Cb 0.57 -1.31 -0.10 0.00 0.00 0.00 0.00 33.22 32.38 2wmi n MET 783 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 175.97 175.89 2wmi s THR 784 N -2.76 0.04 -2.22 3.17 -1.32 -1.26 -3.60 115.64 107.70 2wmi s THR 784 Ca 0.01 -0.34 0.21 0.00 -1.21 0.00 0.00 61.69 60.37 2wmi s THR 784 Cb 0.12 -0.50 0.49 0.00 -1.51 0.00 0.00 72.50 71.10 2wmi s THR 784 CO 0.67 -0.18 1.45 0.61 -2.21 0.00 0.00 174.62 174.96 2wmi n GLY 785 N 1.94 1.65 0.29 6.08 0.00 -0.81 -4.66 105.19 109.69 2wmi n GLY 785 Ca -0.18 -0.67 0.06 0.00 0.00 0.00 0.00 46.02 45.22 2wmi n GLY 785 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2wmi h ARG 786 N 3.79 0.55 -0.60 1.61 2.43 -1.94 -0.82 114.38 119.41 2wmi h ARG 786 Ca 0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2wmi h ARG 786 Cb 0.85 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.28 2wmi h ARG 786 CO 0.00 0.37 0.00 0.66 -1.51 0.00 0.00 179.97 179.49 2wmi n TYR 787 N -4.91 0.80 0.00 2.20 4.01 -1.26 -4.82 117.16 113.17 2wmi n TYR 787 Ca 0.16 -0.46 0.00 0.00 -0.16 0.00 0.00 57.90 57.44 2wmi n TYR 787 Cb 0.41 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.44 2wmi n TYR 787 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 2wmi n ASN 788 N 1.39 0.00 -4.43 7.72 6.94 -0.31 -3.81 115.26 122.75 2wmi n ASN 788 Ca 0.21 0.00 -0.37 0.00 -0.02 0.00 0.00 54.58 54.40 2wmi n ASN 788 Cb 0.58 0.00 -0.12 0.00 -2.36 0.00 0.00 39.78 37.87 2wmi n ASN 788 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 2wmi s VAL 789 N 0.00 4.32 -0.16 3.53 1.01 -1.26 -4.93 120.40 122.91 2wmi s VAL 789 Ca 0.00 -0.30 -0.29 0.00 0.00 0.00 0.00 61.98 61.39 2wmi s VAL 789 Cb 0.00 -3.09 -0.03 0.00 0.00 0.00 0.00 36.38 33.26 2wmi s VAL 789 CO 0.00 0.24 1.43 -0.63 0.00 0.00 0.00 175.10 176.14 2wmi s ILE 790 N 1.60 3.99 0.48 2.22 1.01 -1.25 -4.99 121.20 124.25 2wmi s ILE 790 Ca 0.05 1.18 -0.21 0.00 0.00 0.00 0.00 60.65 61.67 2wmi s ILE 790 Cb -0.16 -3.82 -0.08 0.00 0.01 0.00 0.00 42.46 38.41 2wmi s ILE 790 CO 0.04 -0.17 1.06 -2.16 0.00 0.00 0.00 174.94 173.71 2wmi s PRO 791 N 3.89 3.81 0.11 2.79 0.04 -1.26 -4.58 135.00 139.78 2wmi s PRO 791 Ca 0.62 1.45 -0.11 0.00 0.04 0.00 0.00 61.00 63.01 2wmi s PRO 791 Cb -0.25 -2.19 0.01 0.00 0.04 0.00 0.00 34.50 32.11 2wmi s PRO 791 CO 0.22 -0.44 0.26 0.00 0.04 0.00 0.00 177.00 177.07 2wmi s ALA 792 N -1.86 -0.39 0.08 8.56 0.00 -0.90 -0.84 121.76 126.42 2wmi s ALA 792 Ca 0.66 -0.50 0.05 0.00 0.00 0.00 0.00 51.96 52.18 2wmi s ALA 792 Cb -0.19 0.58 -0.03 0.00 0.00 0.00 0.00 23.12 23.48 2wmi s ALA 792 CO 0.23 -0.56 -0.15 0.96 0.00 0.00 0.00 175.76 176.25 2wmi s ILE 793 N -3.86 1.19 0.60 0.00 -4.36 -0.61 -3.52 121.20 110.64 2wmi s ILE 793 Ca 0.06 -1.40 -0.18 0.00 -0.26 0.00 0.00 60.65 58.86 2wmi s ILE 793 Cb 0.04 -1.19 -0.05 0.00 1.25 0.00 0.00 42.46 42.50 2wmi s ILE 793 CO -0.10 -0.26 0.90 -2.65 0.24 0.00 0.00 174.94 173.07 2wmi n PRO 794 N 1.12 0.84 -0.11 0.37 -0.02 -1.26 -1.40 135.00 134.54 2wmi n PRO 794 Ca -0.20 0.33 0.27 0.00 -2.02 0.00 0.00 63.50 61.87 2wmi n PRO 794 Cb 0.55 -2.10 0.72 0.00 -0.02 0.00 0.00 33.50 32.65 2wmi n PRO 794 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 2wmi h GLY 795 N 0.45 0.00 2.00 -1.23 0.00 -1.88 -1.81 103.07 100.61 2wmi h GLY 795 Ca -0.48 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.81 2wmi h GLY 795 CO 0.50 0.00 -0.20 -0.24 0.00 0.00 0.00 176.54 176.60 2wmi h VAL 796 N 0.00 0.50 -3.61 4.60 3.04 -1.90 -3.44 116.25 115.44 2wmi h VAL 796 Ca 0.37 -1.03 -0.49 0.00 -1.01 0.00 0.00 66.70 64.54 2wmi h VAL 796 Cb 1.61 1.72 0.03 0.00 -2.01 0.00 0.00 31.29 32.64 2wmi h VAL 796 CO -0.00 0.19 0.12 -0.76 -1.01 0.00 0.00 177.57 176.11 2wmi s LEU 797 N -6.76 3.66 0.04 3.16 1.43 -0.68 -5.02 118.68 114.51 2wmi s LEU 797 Ca 0.00 0.97 -0.05 0.00 -1.03 0.00 0.00 54.13 54.02 2wmi s LEU 797 Cb 0.10 -3.91 -0.05 0.00 0.03 0.00 0.00 46.19 42.36 2wmi s LEU 797 CO 0.62 -0.55 0.28 -0.54 0.23 0.00 0.00 176.35 176.40 2wmi s LYS 798 N -4.58 3.57 0.00 1.70 1.02 -1.26 -4.96 119.74 115.23 2wmi s LYS 798 Ca 0.48 -0.12 0.00 0.00 0.02 0.00 0.00 55.97 56.36 2wmi s LYS 798 Cb -0.10 -3.03 0.00 0.00 -0.52 0.00 0.00 37.83 34.18 2wmi s LYS 798 CO 0.43 0.61 0.00 -2.37 -0.92 0.00 0.00 175.35 173.10 2wmi n THR 799 N 0.83 0.00 -1.98 2.17 5.66 -1.26 -5.14 114.28 114.56 2wmi n THR 799 Ca -0.09 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.91 2wmi n THR 799 Cb 0.52 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.30 2wmi n THR 799 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 175.07 171.64 2wmi n ILE 813 N 0.00-10.72 -2.64 1.09 5.41 -1.26 -5.07 119.36 106.17 2wmi n ILE 813 Ca 0.00 2.75 -0.43 0.00 1.00 0.00 0.00 62.75 66.07 2wmi n ILE 813 Cb 0.20 -4.46 -0.02 0.00 -0.71 0.00 0.00 39.64 34.65 2wmi n ILE 813 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 2wmi s GLN 814 N -0.44 4.10 -0.18 0.38 -0.21 -0.51 -4.96 119.66 117.83 2wmi s GLN 814 Ca 0.00 1.13 -0.20 0.00 0.02 0.00 0.00 55.36 56.31 2wmi s GLN 814 Cb 0.00 -3.72 -0.03 0.00 1.00 0.00 0.00 33.01 30.26 2wmi s GLN 814 CO 0.00 -0.86 0.59 0.42 -2.12 0.00 0.00 175.29 173.32 2wmi s ILE 815 N 3.60 5.06 -0.04 1.08 1.01 -1.26 -0.87 121.20 129.78 2wmi s ILE 815 Ca 0.46 1.12 0.03 0.00 0.00 0.00 0.00 60.65 62.25 2wmi s ILE 815 Cb -0.13 -3.91 0.01 0.00 0.01 0.00 0.00 42.46 38.43 2wmi s ILE 815 CO 0.14 0.16 -0.11 -0.54 0.00 0.00 0.00 174.94 174.59 2wmi s LYS 816 N 1.65 1.21 0.30 2.79 -0.14 -0.20 -4.96 119.74 120.39 2wmi s LYS 816 Ca 0.28 -0.36 -0.29 0.00 -1.36 0.00 0.00 55.97 54.24 2wmi s LYS 816 Cb -0.16 -1.09 -0.10 0.00 -1.68 0.00 0.00 37.83 34.80 2wmi s LYS 816 CO 0.11 0.11 1.38 -1.21 -0.76 0.00 0.00 175.35 174.98 2wmi s GLU 817 N 0.30 4.29 0.59 1.68 0.41 -1.26 -0.80 118.70 123.90 2wmi s GLU 817 Ca -0.06 2.29 0.34 0.00 -0.41 0.00 0.00 54.97 57.13 2wmi s GLU 817 Cb -0.11 -3.08 1.83 0.00 -1.78 0.00 0.00 34.13 30.99 2wmi s GLU 817 CO 0.01 -0.33 2.20 0.97 -0.49 0.00 0.00 175.26 177.62 2wmi h ILE 818 N 3.25 0.32 -0.01 -1.63 2.10 -1.45 -1.76 117.51 118.34 2wmi h ILE 818 Ca -0.48 -0.24 0.00 0.00 1.08 0.00 0.00 64.86 65.22 2wmi h ILE 818 Cb 1.22 1.18 0.00 0.00 -1.09 0.00 0.00 36.82 38.13 2wmi h ILE 818 CO 0.71 0.04 -0.04 0.35 -1.08 0.00 0.00 178.15 178.13 2wmi n THR 819 N -3.46 0.00 -1.73 2.19 -2.24 -1.26 -4.67 114.28 103.11 2wmi n THR 819 Ca -0.02 -0.11 -0.32 0.00 -2.27 0.00 0.00 64.05 61.33 2wmi n THR 819 Cb 0.16 -0.02 0.04 0.00 -2.10 0.00 0.00 70.33 68.41 2wmi n THR 819 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2wmi s SER 820 N -2.14 5.33 0.39 3.42 1.04 -0.66 -4.92 113.70 116.15 2wmi s SER 820 Ca 0.39 1.79 0.16 0.00 0.48 0.00 0.00 55.95 58.77 2wmi s SER 820 Cb 0.21 -2.52 1.04 0.00 0.10 0.00 0.00 66.02 64.85 2wmi s SER 820 CO 0.39 -1.48 1.80 -0.65 0.98 0.00 0.00 173.24 174.28 2wmi h PRO 821 N -0.23 0.44 0.00 4.02 0.11 -1.92 -1.93 132.00 132.50 2wmi h PRO 821 Ca -0.45 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.59 2wmi h PRO 821 Cb 1.22 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 2wmi h PRO 821 CO 0.56 0.29 -0.17 0.93 -0.21 0.00 0.00 178.00 179.40 2wmi h GLU 822 N 0.45 0.00 -0.47 1.05 3.07 -1.91 -2.65 114.58 114.12 2wmi h GLU 822 Ca 0.56 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.42 2wmi h GLU 822 Cb 1.32 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.23 2wmi h GLU 822 CO -0.27 0.17 0.00 1.19 -1.40 0.00 0.00 179.01 178.70 2wmi n PHE 823 N -3.67 1.06 0.16 4.33 3.72 -0.73 -2.52 117.46 119.81 2wmi n PHE 823 Ca -0.01 -0.64 0.03 0.00 -0.05 0.00 0.00 57.45 56.77 2wmi n PHE 823 Cb 0.29 -0.20 0.23 0.00 -0.94 0.00 0.00 39.48 38.87 2wmi n PHE 823 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2wmi h SER 824 N 2.95 0.00 -5.30 4.37 4.64 -1.41 -3.45 113.55 115.34 2wmi h SER 824 Ca 0.00 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 2wmi h SER 824 Cb 1.24 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.22 2wmi h SER 824 CO 0.16 0.47 -0.30 -0.94 -0.87 0.00 0.00 176.83 175.35 2wmi s SER 825 N -6.51 0.02 0.18 4.97 1.04 -1.26 -5.03 113.70 107.10 2wmi s SER 825 Ca 0.01 -0.96 -0.20 0.00 0.48 0.00 0.00 55.95 55.27 2wmi s SER 825 Cb 0.11 0.47 0.11 0.00 0.10 0.00 0.00 66.02 66.81 2wmi s SER 825 CO 0.71 -0.96 1.60 0.74 0.98 0.00 0.00 173.24 176.32 2wmi h THR 826 N 2.47 0.26 -0.03 2.02 2.02 -1.90 -0.01 112.91 117.74 2wmi h THR 826 Ca -0.31 0.00 0.01 0.00 0.77 0.00 0.00 66.41 66.89 2wmi h THR 826 Cb 1.24 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.90 2wmi h THR 826 CO 0.45 0.00 -0.05 1.56 0.37 0.00 0.00 175.52 177.85 2wmi h GLN 827 N -0.17 -0.07 -0.92 6.66 4.20 -1.96 -2.40 115.11 120.45 2wmi h GLN 827 Ca 0.21 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.94 2wmi h GLN 827 Cb 0.52 0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.26 2wmi h GLN 827 CO -0.58 -0.05 0.61 0.00 -0.67 0.00 0.00 178.83 178.14 2wmi h ALA 828 N 0.95 1.17 -0.17 3.87 0.00 -1.76 -1.67 119.26 121.65 2wmi h ALA 828 Ca 0.03 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.90 2wmi h ALA 828 Cb 0.11 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 2wmi h ALA 828 CO -0.07 0.55 0.02 0.00 0.00 0.00 0.00 179.25 179.75 2wmi h ARG 829 N 1.23 0.08 -0.37 0.00 3.08 -0.66 -0.96 114.38 116.78 2wmi h ARG 829 Ca 0.34 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.38 2wmi h ARG 829 Cb -0.12 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 29.89 2wmi h ARG 829 CO -0.08 0.05 0.19 0.87 -1.07 0.00 0.00 179.97 179.94 2wmi h LYS 830 N 0.08 0.52 -0.63 0.04 1.57 -1.10 -0.54 116.57 116.51 2wmi h LYS 830 Ca 0.08 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 2wmi h LYS 830 Cb 0.08 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 2wmi h LYS 830 CO -0.12 0.44 0.30 0.93 -0.57 0.00 0.00 179.45 180.44 2wmi h GLU 831 N 0.47 0.90 0.30 3.15 5.08 -1.10 0.30 114.58 123.68 2wmi h GLU 831 Ca 0.13 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2wmi h GLU 831 Cb 0.08 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.17 2wmi h GLU 831 CO -0.02 0.72 -0.14 -0.92 -1.00 0.00 0.00 179.01 177.65 2wmi h TYR 832 N 0.86 -0.37 -0.70 4.33 3.20 -1.05 -3.21 116.97 120.03 2wmi h TYR 832 Ca 0.22 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 62.01 2wmi h TYR 832 Cb 0.12 0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.48 2wmi h TYR 832 CO 0.00 -0.11 0.17 -0.07 -1.64 0.00 0.00 178.16 176.51 2wmi h LEU 833 N -0.58 1.05 -2.08 2.82 3.38 -0.87 -2.99 115.31 116.04 2wmi h LEU 833 Ca -0.04 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 2wmi h LEU 833 Cb 0.42 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 2wmi h LEU 833 CO 0.07 1.01 -0.02 0.78 0.09 0.00 0.00 178.44 180.36 2wmi h ASN 834 N 1.06 0.00 1.20 -0.43 2.35 -0.46 0.14 115.58 119.44 2wmi h ASN 834 Ca 0.22 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.93 2wmi h ASN 834 Cb 0.36 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.73 2wmi h ASN 834 CO 0.00 0.02 -0.20 0.11 -1.65 0.00 0.00 177.43 175.71 2wmi h LYS 835 N 0.00 0.00 0.00 0.81 1.57 -1.52 -3.33 116.57 114.10 2wmi h LYS 835 Ca -0.00 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.58 2wmi h LYS 835 Cb 0.05 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.32 2wmi h LYS 835 CO 0.00 0.20 -2.15 1.28 -0.57 0.00 0.00 179.45 178.21 2wmi n LEU 836 N -3.27 0.00 -4.03 2.94 4.77 -0.23 -4.81 117.00 112.37 2wmi n LEU 836 Ca 0.01 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.68 2wmi n LEU 836 Cb 0.48 0.27 -0.15 0.00 -2.33 0.00 0.00 43.42 41.69 2wmi n LEU 836 CO 0.34 0.27 -0.39 -0.31 -1.33 0.00 0.00 177.39 175.96 2wmi s TYR 837 N -2.88 3.45 0.57 -1.77 2.02 0.31 -4.95 117.35 114.10 2wmi s TYR 837 Ca -0.09 -2.63 -0.19 0.00 -0.37 0.00 0.00 57.07 53.80 2wmi s TYR 837 Cb 0.09 -2.40 -0.04 0.00 -0.40 0.00 0.00 41.96 39.20 2wmi s TYR 837 CO 0.82 -0.91 1.15 -1.25 -1.57 0.00 0.00 175.55 173.79 2wmi s PRO 838 N 1.02 3.17 0.06 -1.71 0.04 -1.26 -4.52 135.00 131.80 2wmi s PRO 838 Ca 0.01 1.65 -0.31 0.00 0.04 0.00 0.00 61.00 62.39 2wmi s PRO 838 Cb -0.19 -1.98 -0.08 0.00 0.04 0.00 0.00 34.50 32.29 2wmi s PRO 838 CO -0.07 -1.01 1.63 1.41 0.04 0.00 0.00 177.00 179.01 2wmi s MET 839 N -3.40 4.20 -0.03 4.56 1.75 -1.26 -4.89 119.30 120.23 2wmi s MET 839 Ca 0.73 2.29 0.05 0.00 -1.25 0.00 0.00 55.69 57.52 2wmi s MET 839 Cb -0.25 -3.61 0.07 0.00 2.84 0.00 0.00 34.83 33.88 2wmi s MET 839 CO 0.30 -0.73 0.98 0.27 -0.65 0.00 0.00 175.02 175.20 2wmi n ASN 840 N 5.64 1.74 -3.76 1.11 6.94 -1.26 -5.05 115.26 120.63 2wmi n ASN 840 Ca 0.16 -2.15 -0.05 0.00 -0.02 0.00 0.00 54.58 52.51 2wmi n ASN 840 Cb 0.41 -0.12 -0.02 0.00 -2.36 0.00 0.00 39.78 37.70 2wmi n ASN 840 CO 0.00 0.00 0.00 -0.72 -1.03 0.00 0.00 177.26 175.51 2wmi s TYR 841 N -1.30 -0.17 0.20 -2.53 -0.85 -1.26 -4.76 117.35 106.69 2wmi s TYR 841 Ca 0.08 -0.17 0.11 0.00 -0.52 0.00 0.00 57.07 56.57 2wmi s TYR 841 Cb 0.07 0.65 -0.04 0.00 0.38 0.00 0.00 41.96 43.02 2wmi s TYR 841 CO 0.01 -0.94 -0.22 -1.21 -1.52 0.00 0.00 175.55 171.68 2wmi s GLU 842 N -3.48 1.61 0.00 -3.49 2.02 -0.71 -5.00 118.70 109.65 2wmi s GLU 842 Ca 0.11 -1.52 0.00 0.00 0.02 0.00 0.00 54.97 53.58 2wmi s GLU 842 Cb -0.03 -1.88 0.00 0.00 0.10 0.00 0.00 34.13 32.32 2wmi s GLU 842 CO 0.03 0.40 0.00 0.41 0.02 0.00 0.00 175.26 176.11 2wmi n GLY 843 N 0.12 3.03 3.47 -1.39 0.00 -1.26 -0.93 105.19 108.22 2wmi n GLY 843 Ca -0.11 -1.67 -0.44 0.00 0.00 0.00 0.00 46.02 43.79 2wmi n GLY 843 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wmi s ASP 844 N 0.00 6.83 -0.13 1.61 2.15 -1.14 -4.87 116.67 121.12 2wmi s ASP 844 Ca 0.00 -2.46 -0.30 0.00 0.43 0.00 0.00 52.55 50.22 2wmi s ASP 844 Cb 0.00 -2.42 0.13 0.00 -0.30 0.00 0.00 42.92 40.33 2wmi s ASP 844 CO 0.00 -0.95 1.01 -0.51 -0.17 0.00 0.00 175.17 174.55 2wmi s ILE 845 N 2.37 0.00 -0.05 4.11 2.07 -1.26 -4.10 121.20 124.33 2wmi s ILE 845 Ca 0.39 0.00 -0.30 0.00 -1.41 0.00 0.00 60.65 59.33 2wmi s ILE 845 Cb -0.03 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.53 2wmi s ILE 845 CO -0.04 0.00 1.02 0.12 -1.91 0.00 0.00 174.94 174.13 2wmi s PHE 846 N -1.77 3.54 -0.02 3.50 5.36 -0.85 -4.56 117.98 123.17 2wmi s PHE 846 Ca 0.02 1.59 -0.11 0.00 -0.96 0.00 0.00 56.93 57.46 2wmi s PHE 846 Cb -0.01 -3.19 0.02 0.00 -0.34 0.00 0.00 43.02 39.49 2wmi s PHE 846 CO -0.02 -0.29 0.24 0.00 -1.46 0.00 0.00 175.22 173.69 2wmi s ALA 847 N 1.62 -0.60 -0.07 11.12 0.00 -1.26 -1.20 121.76 131.37 2wmi s ALA 847 Ca 0.51 0.24 -0.06 0.00 0.00 0.00 0.00 51.96 52.66 2wmi s ALA 847 Cb -0.20 -0.01 0.02 0.00 0.00 0.00 0.00 23.12 22.93 2wmi s ALA 847 CO 0.22 -0.22 0.18 -1.14 0.00 0.00 0.00 175.76 174.80 2wmi s GLN 848 N -1.08 0.19 -0.14 0.00 0.74 -0.45 -1.92 119.66 117.00 2wmi s GLN 848 Ca -0.11 0.28 -0.06 0.00 0.05 0.00 0.00 55.36 55.52 2wmi s GLN 848 Cb -0.05 0.04 -0.04 0.00 1.10 0.00 0.00 33.01 34.06 2wmi s GLN 848 CO 0.03 -0.05 0.07 0.21 -0.55 0.00 0.00 175.29 174.99 2wmi s LYS 849 N 0.33 3.59 -0.09 1.67 2.20 -1.26 -0.67 119.74 125.51 2wmi s LYS 849 Ca -0.02 -0.30 0.00 0.00 -0.36 0.00 0.00 55.97 55.30 2wmi s LYS 849 Cb -0.03 -3.11 0.02 0.00 -1.51 0.00 0.00 37.83 33.20 2wmi s LYS 849 CO -0.01 0.52 -0.08 -0.51 -0.36 0.00 0.00 175.35 174.91 2wmi s LEU 850 N -0.33 1.29 0.00 5.43 1.43 -0.41 -5.01 118.68 121.08 2wmi s LEU 850 Ca 0.09 -0.26 0.00 0.00 -1.03 0.00 0.00 54.13 52.93 2wmi s LEU 850 Cb -0.12 -0.75 0.00 0.00 0.03 0.00 0.00 46.19 45.35 2wmi s LEU 850 CO 0.02 -0.07 0.00 -0.90 0.23 0.00 0.00 176.35 175.63 2wmi n ASP 851 N 4.50 0.00 -1.74 2.29 5.75 -1.26 -0.24 116.55 125.85 2wmi n ASP 851 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.62 2wmi n ASP 851 Cb 0.51 0.00 0.30 0.00 -1.03 0.00 0.00 41.12 40.89 2wmi n ASP 851 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2wmi n ASN 852 N 3.84 4.68 -4.21 -1.12 5.03 -1.26 -4.92 115.26 117.30 2wmi n ASN 852 Ca 0.00 -2.90 -0.32 0.00 0.87 0.00 0.00 54.58 52.23 2wmi n ASN 852 Cb 0.00 -0.68 -0.17 0.00 -1.02 0.00 0.00 39.78 37.91 2wmi n ASN 852 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 2wmi s ARG 853 N -2.53 3.05 -0.22 3.52 0.52 0.67 -0.94 118.95 123.03 2wmi s ARG 853 Ca 0.46 -0.88 -0.13 0.00 -0.52 0.00 0.00 55.73 54.66 2wmi s ARG 853 Cb 0.36 -2.32 -0.05 0.00 0.52 0.00 0.00 34.95 33.46 2wmi s ARG 853 CO 0.12 0.15 0.27 -1.58 0.02 0.00 0.00 175.30 174.28 2wmi s TRP 854 N 0.41 3.35 -0.20 -0.53 0.52 0.11 -1.28 118.94 121.33 2wmi s TRP 854 Ca -0.17 0.42 -0.07 0.00 0.02 0.00 0.00 56.10 56.30 2wmi s TRP 854 Cb -0.18 -2.38 -0.04 0.00 -1.15 0.00 0.00 33.47 29.73 2wmi s TRP 854 CO 0.07 0.06 0.05 -0.06 0.02 0.00 0.00 176.95 177.08 2wmi s PHE 855 N 1.09 3.16 -0.01 -1.98 0.08 0.15 -0.72 117.98 119.75 2wmi s PHE 855 Ca 0.13 -0.12 0.02 0.00 0.12 0.00 0.00 56.93 57.07 2wmi s PHE 855 Cb -0.14 -2.10 -0.00 0.00 -0.57 0.00 0.00 43.02 40.21 2wmi s PHE 855 CO 0.06 -0.02 -0.05 0.08 -0.10 0.00 0.00 175.22 175.18 2wmi s VAL 856 N 0.70 0.43 0.07 -0.44 1.01 -0.34 -1.34 120.40 120.49 2wmi s VAL 856 Ca 0.02 -0.22 -0.12 0.00 0.00 0.00 0.00 61.98 61.67 2wmi s VAL 856 Cb -0.14 -0.38 0.01 0.00 0.00 0.00 0.00 36.38 35.88 2wmi s VAL 856 CO 0.02 0.13 0.26 -0.72 0.00 0.00 0.00 175.10 174.79 2wmi s TYR 857 N -0.05 -0.01 -0.08 5.22 -0.85 -0.34 -0.49 117.35 120.76 2wmi s TYR 857 Ca 0.01 -0.25 -0.29 0.00 -0.52 0.00 0.00 57.07 56.01 2wmi s TYR 857 Cb -0.03 0.04 -0.02 0.00 0.38 0.00 0.00 41.96 42.34 2wmi s TYR 857 CO -0.00 -0.53 0.98 1.21 -1.52 0.00 0.00 175.55 175.69 2wmi s ASN 858 N -2.40 7.26 0.00 -0.18 3.84 -0.98 -2.00 114.94 120.48 2wmi s ASN 858 Ca -0.01 1.54 0.24 0.00 0.21 0.00 0.00 52.86 54.84 2wmi s ASN 858 Cb 0.01 -2.55 0.71 0.00 -0.55 0.00 0.00 41.25 38.87 2wmi s ASN 858 CO -0.07 -0.38 1.54 0.00 -2.79 0.00 0.00 177.10 175.40 2wmi n TYR 859 N 4.68 0.15 -2.09 0.43 0.18 -1.26 -4.32 117.16 114.92 2wmi n TYR 859 Ca 0.07 -0.07 -0.40 0.00 1.88 0.00 0.00 57.90 59.38 2wmi n TYR 859 Cb 0.49 0.00 -0.02 0.00 -0.38 0.00 0.00 39.34 39.44 2wmi n TYR 859 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 2wmi s LYS 860 N -1.85 4.26 -0.19 -3.48 -0.14 -1.26 -4.92 119.74 112.15 2wmi s LYS 860 Ca 0.34 2.22 -0.15 0.00 -1.36 0.00 0.00 55.97 57.02 2wmi s LYS 860 Cb 0.20 -2.99 -0.08 0.00 -1.68 0.00 0.00 37.83 33.27 2wmi s LYS 860 CO 0.30 -0.27 -0.24 0.28 -0.76 0.00 0.00 175.35 174.66 2wmi n VAL 861 N 0.63 1.49 -2.65 3.17 0.31 -1.26 -4.53 118.33 115.48 2wmi n VAL 861 Ca 0.01 0.03 -0.01 0.00 -0.01 0.00 0.00 64.34 64.36 2wmi n VAL 861 Cb 0.42 -2.23 0.04 0.00 -0.91 0.00 0.00 33.84 31.17 2wmi n VAL 861 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 2wmi n ASN 862 N -4.45 1.69 -3.84 4.52 4.05 -1.26 -4.98 115.26 110.99 2wmi n ASN 862 Ca -0.23 -2.21 -0.18 0.00 0.45 0.00 0.00 54.58 52.42 2wmi n ASN 862 Cb 0.55 -0.42 -0.16 0.00 1.23 0.00 0.00 39.78 40.98 2wmi n ASN 862 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 2wmi s GLU 863 N -2.80 0.43 -1.25 1.20 8.01 -1.26 -4.23 118.70 118.80 2wmi s GLU 863 Ca 0.31 0.02 -0.13 0.00 0.01 0.00 0.00 54.97 55.18 2wmi s GLU 863 Cb 0.35 -0.56 0.15 0.00 -4.31 0.00 0.00 34.13 29.76 2wmi s GLU 863 CO -0.07 -0.11 1.59 -1.71 0.01 0.00 0.00 175.26 174.97 2wmi n ASN 864 N 4.07 5.12 -3.87 -0.19 5.15 -1.26 -4.83 115.26 119.45 2wmi n ASN 864 Ca -0.26 -2.99 -0.23 0.00 -0.60 0.00 0.00 54.58 50.49 2wmi n ASN 864 Cb 0.51 -1.58 -0.17 0.00 -0.53 0.00 0.00 39.78 38.01 2wmi n ASN 864 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2wmi s VAL 865 N 1.74 0.65 0.50 3.44 1.01 -1.26 -5.04 120.40 121.45 2wmi s VAL 865 Ca 0.44 -0.11 -0.20 0.00 0.00 0.00 0.00 61.98 62.11 2wmi s VAL 865 Cb 0.01 -0.71 -0.08 0.00 0.00 0.00 0.00 36.38 35.60 2wmi s VAL 865 CO 0.01 0.28 1.06 -0.54 0.00 0.00 0.00 175.10 175.92 2wmi s LYS 866 N 1.45 3.69 0.07 2.72 1.02 -1.26 -4.10 119.74 123.33 2wmi s LYS 866 Ca -0.02 1.43 0.05 0.00 0.02 0.00 0.00 55.97 57.44 2wmi s LYS 866 Cb -0.13 -2.07 -0.03 0.00 -0.52 0.00 0.00 37.83 35.07 2wmi s LYS 866 CO -0.03 -0.53 -0.13 -0.65 -0.92 0.00 0.00 175.35 173.08 2wmi s GLN 867 N -3.24 0.78 0.05 1.68 -0.21 -0.20 -4.99 119.66 113.54 2wmi s GLN 867 Ca 0.69 -0.92 0.04 0.00 0.02 0.00 0.00 55.36 55.18 2wmi s GLN 867 Cb -0.18 -0.76 -0.03 0.00 1.00 0.00 0.00 33.01 33.05 2wmi s GLN 867 CO 0.22 0.17 -0.11 0.95 -2.12 0.00 0.00 175.29 174.39 2wmi s THR 868 N -1.27 0.81 0.02 -0.19 -4.23 -1.26 -1.00 115.64 108.52 2wmi s THR 868 Ca -0.03 -1.16 -0.17 0.00 -1.18 0.00 0.00 61.69 59.14 2wmi s THR 868 Cb -0.10 -0.82 0.03 0.00 1.34 0.00 0.00 72.50 72.95 2wmi s THR 868 CO 0.02 -0.29 0.39 -0.83 -0.54 0.00 0.00 174.62 173.37 2wmi s GLY 869 N -1.61 -0.24 -0.17 3.99 0.00 -1.00 -2.87 107.32 105.41 2wmi s GLY 869 Ca -0.06 0.33 0.01 0.00 0.00 0.00 0.00 44.72 45.00 2wmi s GLY 869 CO 0.01 0.08 -0.20 1.25 0.00 0.00 0.00 173.10 174.24 2wmi s LYS 870 N -2.14 3.01 0.12 2.90 2.20 -0.11 -1.28 119.74 124.44 2wmi s LYS 870 Ca -0.08 -0.83 0.10 0.00 -0.36 0.00 0.00 55.97 54.81 2wmi s LYS 870 Cb -0.02 -2.54 -0.04 0.00 -1.51 0.00 0.00 37.83 33.72 2wmi s LYS 870 CO -0.00 -0.15 -0.25 -0.51 -0.36 0.00 0.00 175.35 174.07 2wmi s LEU 871 N 1.16 2.31 0.01 5.43 2.01 0.04 -1.74 118.68 127.89 2wmi s LEU 871 Ca 0.02 -0.73 0.06 0.00 0.01 0.00 0.00 54.13 53.48 2wmi s LEU 871 Cb -0.14 -1.14 -0.02 0.00 0.01 0.00 0.00 46.19 44.90 2wmi s LEU 871 CO -0.10 0.15 -0.18 -0.54 1.01 0.00 0.00 176.35 176.70 2wmi s LYS 872 N -1.99 1.31 -0.57 1.70 1.02 -1.26 -0.12 119.74 119.83 2wmi s LYS 872 Ca 0.12 -0.72 0.04 0.00 0.02 0.00 0.00 55.97 55.43 2wmi s LYS 872 Cb -0.10 -1.32 0.14 0.00 -0.52 0.00 0.00 37.83 36.03 2wmi s LYS 872 CO 0.05 0.35 0.32 -0.06 -0.92 0.00 0.00 175.35 175.10 2wmi s PHE 873 N -0.58 3.28 0.00 3.18 0.08 0.67 -5.01 117.98 119.61 2wmi s PHE 873 Ca 0.06 -3.20 0.00 0.00 0.12 0.00 0.00 56.93 53.91 2wmi s PHE 873 Cb -0.07 -2.81 0.00 0.00 -0.57 0.00 0.00 43.02 39.56 2wmi s PHE 873 CO 0.00 -0.70 0.00 0.09 -0.10 0.00 0.00 175.22 174.51 2wmi n ASN 874 N 2.86 0.00 0.04 1.36 4.13 -1.26 -2.33 115.26 120.05 2wmi n ASN 874 Ca 0.08 0.00 0.11 0.00 1.68 0.00 0.00 54.58 56.46 2wmi n ASN 874 Cb 0.33 0.00 -0.05 0.00 -1.54 0.00 0.00 39.78 38.52 2wmi n ASN 874 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 2wmi n SER 875 N 1.16 0.51 -4.69 6.41 3.41 -1.26 -4.63 113.62 114.54 2wmi n SER 875 Ca 0.00 -0.02 -0.42 0.00 -0.26 0.00 0.00 58.87 58.16 2wmi n SER 875 Cb 0.00 1.06 -0.03 0.00 -0.26 0.00 0.00 64.21 64.98 2wmi n SER 875 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2wmi s LEU 876 N -4.47 4.33 -0.13 1.04 2.96 -0.99 -4.77 118.68 116.66 2wmi s LEU 876 Ca -0.01 2.18 -0.01 0.00 -0.22 0.00 0.00 54.13 56.07 2wmi s LEU 876 Cb 0.13 -3.56 -0.02 0.00 0.50 0.00 0.00 46.19 43.23 2wmi s LEU 876 CO 0.83 -0.74 -0.09 -0.70 -1.32 0.00 0.00 176.35 174.34 2wmi s GLU 877 N 2.32 3.36 -0.18 1.98 2.12 -0.91 -0.24 118.70 127.14 2wmi s GLU 877 Ca 0.65 -0.61 0.01 0.00 0.36 0.00 0.00 54.97 55.38 2wmi s GLU 877 Cb -0.33 -2.72 0.04 0.00 0.26 0.00 0.00 34.13 31.38 2wmi s GLU 877 CO 0.28 0.31 -0.11 1.41 -0.54 0.00 0.00 175.26 176.60 2wmi s MET 878 N 0.13 2.09 -0.14 4.30 -2.45 0.82 -0.91 119.30 123.15 2wmi s MET 878 Ca -0.04 -0.75 -0.07 0.00 -1.25 0.00 0.00 55.69 53.58 2wmi s MET 878 Cb -0.14 -2.32 -0.04 0.00 1.25 0.00 0.00 34.83 33.58 2wmi s MET 878 CO 0.04 -0.37 0.10 -0.80 1.05 0.00 0.00 175.02 175.03 2wmi s ASN 879 N 1.43 6.00 0.14 1.11 0.01 0.04 -0.78 114.94 122.89 2wmi s ASN 879 Ca 0.01 0.29 0.07 0.00 -0.71 0.00 0.00 52.86 52.51 2wmi s ASN 879 Cb -0.15 -1.95 -0.04 0.00 0.41 0.00 0.00 41.25 39.52 2wmi s ASN 879 CO -0.09 0.31 -0.15 0.68 -1.51 0.00 0.00 177.10 176.34 2wmi s VAL 880 N -0.46 1.49 -0.13 1.60 -7.23 -0.40 -0.48 120.40 114.79 2wmi s VAL 880 Ca 0.11 -1.83 -0.01 0.00 -1.81 0.00 0.00 61.98 58.44 2wmi s VAL 880 Cb -0.12 -1.68 0.04 0.00 0.56 0.00 0.00 36.38 35.19 2wmi s VAL 880 CO 0.02 -0.42 -0.01 -0.70 -0.31 0.00 0.00 175.10 173.68 2wmi s GLU 881 N -2.83 0.92 -0.06 4.82 2.12 -0.44 -2.37 118.70 120.86 2wmi s GLU 881 Ca 0.12 -0.22 0.05 0.00 0.36 0.00 0.00 54.97 55.29 2wmi s GLU 881 Cb -0.04 -1.59 -0.01 0.00 0.26 0.00 0.00 34.13 32.75 2wmi s GLU 881 CO 0.04 -0.42 -0.23 -0.06 -0.54 0.00 0.00 175.26 174.05 2wmi s PHE 882 N 1.83 2.49 0.82 5.30 0.40 -0.17 -2.36 117.98 126.29 2wmi s PHE 882 Ca 0.02 -0.65 -0.12 0.00 -0.60 0.00 0.00 56.93 55.59 2wmi s PHE 882 Cb -0.14 -1.61 0.08 0.00 0.51 0.00 0.00 43.02 41.86 2wmi s PHE 882 CO -0.07 -0.17 1.15 -1.21 0.70 0.00 0.00 175.22 175.63 2wmi s GLU 883 N -0.21 1.89 0.78 0.44 2.02 -1.26 -1.03 118.70 121.33 2wmi s GLU 883 Ca -0.02 0.23 -0.15 0.00 0.02 0.00 0.00 54.97 55.05 2wmi s GLU 883 Cb -0.13 -1.93 0.01 0.00 0.10 0.00 0.00 34.13 32.18 2wmi s GLU 883 CO 0.03 -1.67 0.76 -2.30 0.02 0.00 0.00 175.26 172.10 2wmi n PRO 884 N -3.39 0.22 -3.39 0.39 -0.02 -1.26 -3.59 135.00 123.96 2wmi n PRO 884 Ca 0.07 0.13 -0.17 0.00 -2.02 0.00 0.00 63.50 61.51 2wmi n PRO 884 Cb 0.60 -2.06 0.09 0.00 -0.02 0.00 0.00 33.50 32.10 2wmi n PRO 884 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 2wmi n HIS 885 N -2.83 -2.15 -3.74 6.00 8.25 -1.26 -5.01 115.22 114.48 2wmi n HIS 885 Ca 0.11 0.91 -0.16 0.00 -0.26 0.00 0.00 57.72 58.31 2wmi n HIS 885 Cb 0.50 -4.96 -0.16 0.00 1.12 0.00 0.00 29.99 26.49 2wmi n HIS 885 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2wmi s THR 886 N -3.34 -0.08 0.13 1.59 2.01 -1.24 -4.38 115.64 110.33 2wmi s THR 886 Ca 0.04 0.28 0.08 0.00 0.31 0.00 0.00 61.69 62.39 2wmi s THR 886 Cb -0.02 -0.11 -0.04 0.00 0.01 0.00 0.00 72.50 72.35 2wmi s THR 886 CO 0.70 0.11 -0.18 -0.72 -0.69 0.00 0.00 174.62 173.85 2wmi s TYR 887 N 1.39 1.67 0.03 4.92 -0.85 -0.49 -2.32 117.35 121.70 2wmi s TYR 887 Ca -0.05 -0.48 -0.00 0.00 -0.52 0.00 0.00 57.07 56.02 2wmi s TYR 887 Cb -0.13 -0.87 -0.03 0.00 0.38 0.00 0.00 41.96 41.32 2wmi s TYR 887 CO -0.03 0.23 -0.03 0.20 -1.52 0.00 0.00 175.55 174.40 2wmi s GLY 888 N -2.34 0.32 -0.11 5.49 0.00 0.36 -1.02 107.32 110.03 2wmi s GLY 888 Ca 0.10 -0.81 -0.01 0.00 0.00 0.00 0.00 44.72 44.01 2wmi s GLY 888 CO 0.05 -0.90 -0.06 -0.42 0.00 0.00 0.00 173.10 171.77 2wmi s ILE 889 N -2.34 0.91 -0.22 0.90 1.01 0.24 -1.20 121.20 120.50 2wmi s ILE 889 Ca -0.08 -0.22 0.01 0.00 0.00 0.00 0.00 60.65 60.36 2wmi s ILE 889 Cb -0.04 -0.96 0.04 0.00 0.01 0.00 0.00 42.46 41.51 2wmi s ILE 889 CO -0.04 0.34 -0.14 -0.36 0.00 0.00 0.00 174.94 174.74 2wmi s PHE 890 N 1.75 3.02 -0.19 3.97 0.08 0.10 -1.12 117.98 125.60 2wmi s PHE 890 Ca 0.05 -1.89 0.00 0.00 0.12 0.00 0.00 56.93 55.21 2wmi s PHE 890 Cb -0.13 -1.95 0.02 0.00 -0.57 0.00 0.00 43.02 40.39 2wmi s PHE 890 CO -0.08 -0.82 -0.17 -2.00 -0.10 0.00 0.00 175.22 172.05 2wmi s GLU 891 N 1.22 3.05 -0.11 0.44 2.12 0.10 -0.71 118.70 124.81 2wmi s GLU 891 Ca -0.01 -0.80 -0.29 0.00 0.36 0.00 0.00 54.97 54.22 2wmi s GLU 891 Cb -0.16 -2.65 -0.04 0.00 0.26 0.00 0.00 34.13 31.53 2wmi s GLU 891 CO -0.08 -0.21 1.55 0.50 -0.54 0.00 0.00 175.26 176.47 2wmi s ARG 892 N 1.32 4.13 0.37 4.30 6.06 -0.11 -0.47 118.95 134.54 2wmi s ARG 892 Ca 0.05 1.96 0.08 0.00 -2.50 0.00 0.00 55.73 55.33 2wmi s ARG 892 Cb -0.13 -3.94 -0.06 0.00 0.06 0.00 0.00 34.95 30.88 2wmi s ARG 892 CO -0.11 -0.88 0.01 0.96 -2.50 0.00 0.00 175.30 172.77 2wmi s ILE 893 N 4.09 2.33 0.31 4.11 -4.36 -0.61 -4.89 121.20 122.18 2wmi s ILE 893 Ca 0.68 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 59.08 2wmi s ILE 893 Cb -0.29 -2.84 0.20 0.00 1.25 0.00 0.00 42.46 40.79 2wmi s ILE 893 CO 0.26 -0.12 1.91 0.77 0.24 0.00 0.00 174.94 177.99 2wmi h SER 894 N 1.80 0.73 -0.55 4.36 4.64 -2.00 -2.46 113.55 120.07 2wmi h SER 894 Ca -0.43 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 2wmi h SER 894 Cb 1.25 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 2wmi h SER 894 CO 0.72 0.65 0.00 -0.46 -0.87 0.00 0.00 176.83 176.86 2wmi n ASN 895 N -4.34 5.20 0.00 4.97 6.94 -1.26 -5.02 115.26 121.74 2wmi n ASN 895 Ca 0.05 -2.76 0.00 0.00 -0.02 0.00 0.00 54.58 51.85 2wmi n ASN 895 Cb 0.15 -0.65 0.00 0.00 -2.36 0.00 0.00 39.78 36.92 2wmi n ASN 895 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2wmi n GLY 896 N 0.71 0.26 2.94 4.83 0.00 -0.93 -1.34 105.19 111.66 2wmi n GLY 896 Ca 0.25 -0.46 -0.14 0.00 0.00 0.00 0.00 46.02 45.67 2wmi n GLY 896 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wmi s LEU 897 N 0.00 0.51 -0.02 0.99 2.96 -0.20 -1.58 118.68 121.34 2wmi s LEU 897 Ca 0.00 0.35 -0.15 0.00 -0.22 0.00 0.00 54.13 54.11 2wmi s LEU 897 Cb 0.00 0.43 -0.05 0.00 0.50 0.00 0.00 46.19 47.06 2wmi s LEU 897 CO 0.00 -0.17 0.42 -0.75 -1.32 0.00 0.00 176.35 174.53 2wmi s LYS 898 N 1.40 4.01 -0.07 1.98 2.47 0.37 -0.51 119.74 129.39 2wmi s LYS 898 Ca -0.07 0.41 0.02 0.00 -1.56 0.00 0.00 55.97 54.77 2wmi s LYS 898 Cb -0.11 -3.26 0.01 0.00 -1.46 0.00 0.00 37.83 33.00 2wmi s LYS 898 CO -0.06 0.59 -0.14 0.08 0.16 0.00 0.00 175.35 175.98 2wmi s VAL 899 N -0.74 1.26 -0.06 4.02 1.01 0.35 -0.72 120.40 125.51 2wmi s VAL 899 Ca 0.24 -0.54 0.05 0.00 0.00 0.00 0.00 61.98 61.73 2wmi s VAL 899 Cb -0.16 -1.14 -0.00 0.00 0.00 0.00 0.00 36.38 35.07 2wmi s VAL 899 CO 0.13 0.38 -0.22 0.20 0.00 0.00 0.00 175.10 175.59 2wmi s ASN 900 N 0.70 2.75 -0.02 3.32 0.01 -0.27 -1.70 114.94 119.74 2wmi s ASN 900 Ca -0.14 -0.47 0.00 0.00 -0.71 0.00 0.00 52.86 51.55 2wmi s ASN 900 Cb -0.16 -0.89 0.02 0.00 0.41 0.00 0.00 41.25 40.63 2wmi s ASN 900 CO 0.03 0.19 0.02 -0.22 -1.51 0.00 0.00 177.10 175.61 2wmi s LEU 901 N 0.04 1.25 -0.09 0.60 2.96 0.10 -0.60 118.68 122.95 2wmi s LEU 901 Ca -0.08 0.02 -0.00 0.00 -0.22 0.00 0.00 54.13 53.86 2wmi s LEU 901 Cb -0.14 -0.08 0.02 0.00 0.50 0.00 0.00 46.19 46.50 2wmi s LEU 901 CO 0.04 -0.10 -0.05 0.21 -1.32 0.00 0.00 176.35 175.13 2wmi s ASN 902 N 0.87 1.86 -0.09 3.68 3.84 -0.19 -0.27 114.94 124.64 2wmi s ASN 902 Ca -0.07 -0.22 0.16 0.00 0.21 0.00 0.00 52.86 52.93 2wmi s ASN 902 Cb -0.11 -0.69 0.34 0.00 -0.55 0.00 0.00 41.25 40.25 2wmi s ASN 902 CO -0.02 -0.12 1.16 -0.46 -2.79 0.00 0.00 177.10 174.86 2wmi n ASN 903 N 4.82 1.28 -4.66 -4.21 6.94 -0.84 -1.40 115.26 117.18 2wmi n ASN 903 Ca -0.13 -2.80 -0.42 0.00 -0.02 0.00 0.00 54.58 51.21 2wmi n ASN 903 Cb 0.50 -0.38 -0.03 0.00 -2.36 0.00 0.00 39.78 37.51 2wmi n ASN 903 CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 2wmi s PHE 904 N -1.50 1.63 -0.25 -2.53 5.36 -1.23 -4.16 117.98 115.30 2wmi s PHE 904 Ca 0.30 -0.13 -0.03 0.00 -0.96 0.00 0.00 56.93 56.10 2wmi s PHE 904 Cb 0.31 -4.08 0.14 0.00 -0.34 0.00 0.00 43.02 39.05 2wmi s PHE 904 CO -0.08 -4.71 0.45 0.50 -1.46 0.00 0.00 175.22 169.92 2wmi s ARG 905 N 4.24 0.41 0.67 10.12 3.52 -1.26 -1.31 118.95 135.34 2wmi s ARG 905 Ca 0.81 0.79 -0.04 0.00 -0.13 0.00 0.00 55.73 57.16 2wmi s ARG 905 Cb -0.38 -0.01 0.07 0.00 -1.56 0.00 0.00 34.95 33.06 2wmi s ARG 905 CO 0.35 -0.54 0.95 0.95 -0.81 0.00 0.00 175.30 176.20 2wmi s THR 906 N 2.65 2.37 -0.33 4.11 -4.23 -1.26 -3.13 115.64 115.83 2wmi s THR 906 Ca 0.11 -0.42 -0.19 0.00 -1.18 0.00 0.00 61.69 60.01 2wmi s THR 906 Cb -0.15 -2.95 -0.01 0.00 1.34 0.00 0.00 72.50 70.74 2wmi s THR 906 CO -0.17 0.00 0.56 0.21 -0.54 0.00 0.00 174.62 174.68 2wmi s ASN 907 N -4.53 6.39 0.00 3.99 3.84 0.52 -4.67 114.94 120.48 2wmi s ASN 907 Ca 0.60 0.17 0.23 0.00 0.21 0.00 0.00 52.86 54.08 2wmi s ASN 907 Cb -0.10 -2.29 0.49 0.00 -0.55 0.00 0.00 41.25 38.81 2wmi s ASN 907 CO 0.43 -0.47 1.44 0.29 -2.79 0.00 0.00 177.10 176.00 2wmi n LYS 908 N 5.80 2.55 -0.01 0.43 4.76 -1.26 -4.57 118.16 125.85 2wmi n LYS 908 Ca -0.03 -2.36 0.12 0.00 -2.87 0.00 0.00 58.31 53.17 2wmi n LYS 908 Cb 0.49 -1.53 0.55 0.00 -1.84 0.00 0.00 35.03 32.70 2wmi n LYS 908 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 2wmi h ASP 909 N 4.38 0.26 -0.01 4.39 3.32 -1.97 -2.11 116.42 124.69 2wmi h ASP 909 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2wmi h ASP 909 Cb 0.98 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.47 2wmi h ASP 909 CO 0.00 0.16 0.00 0.77 -1.72 0.00 0.00 179.24 178.46 2wmi h SER 910 N 0.29 0.00 0.37 6.45 4.64 -2.00 0.06 113.55 123.35 2wmi h SER 910 Ca 0.22 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.50 2wmi h SER 910 Cb 0.48 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.57 2wmi h SER 910 CO -0.05 0.00 -0.19 -0.07 -0.87 0.00 0.00 176.83 175.65 2wmi h LEU 911 N 0.00 0.00 -3.06 5.97 3.38 -1.74 -2.99 115.31 116.87 2wmi h LEU 911 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wmi h LEU 911 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2wmi h LEU 911 CO -0.00 0.19 0.00 0.79 0.09 0.00 0.00 178.44 179.51 2wmi n TRP 912 N -3.86 0.94 -1.51 1.13 7.02 -0.02 -5.00 117.44 116.14 2wmi n TRP 912 Ca -0.02 -0.63 -0.41 0.00 -1.02 0.00 0.00 57.50 55.42 2wmi n TRP 912 Cb 0.29 -0.17 0.01 0.00 -2.42 0.00 0.00 31.31 29.02 2wmi n TRP 912 CO 0.00 0.00 0.00 0.43 -2.02 0.00 0.00 177.69 176.10 2wmi n SER 913 N 0.52 -0.18 0.00 -0.99 7.64 -1.02 -2.98 113.62 116.61 2wmi n SER 913 Ca 0.19 0.93 0.00 0.00 1.01 0.00 0.00 58.87 61.00 2wmi n SER 913 Cb 0.71 -1.20 0.00 0.00 -1.01 0.00 0.00 64.21 62.70 2wmi n SER 913 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2wmi n ASN 914 N 0.89 -1.98 -3.81 6.43 3.02 -1.26 -4.99 115.26 113.55 2wmi n ASN 914 Ca 0.11 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.37 2wmi n ASN 914 Cb 0.40 -0.33 -0.16 0.00 -0.61 0.00 0.00 39.78 39.08 2wmi n ASN 914 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wmi s ALA 915 N -2.64 1.52 -0.68 5.41 0.00 -1.16 -4.90 121.76 119.30 2wmi s ALA 915 Ca 0.00 -1.21 0.25 0.00 0.00 0.00 0.00 51.96 51.00 2wmi s ALA 915 Cb 0.00 -1.39 0.51 0.00 0.00 0.00 0.00 23.12 22.23 2wmi s ALA 915 CO 0.00 -1.31 1.48 0.94 0.00 0.00 0.00 175.76 176.87 2wmi n GLN 916 N 4.85 0.28 -4.11 0.00 7.27 -1.26 -4.83 117.38 119.58 2wmi n GLN 916 Ca -0.08 0.13 -0.14 0.00 0.07 0.00 0.00 57.00 56.98 2wmi n GLN 916 Cb 0.45 -1.72 -0.06 0.00 2.41 0.00 0.00 30.24 31.32 2wmi n GLN 916 CO 0.00 0.00 0.00 0.16 0.07 0.00 0.00 177.06 177.29 2wmi s ASP 917 N -4.31 0.65 0.26 1.69 1.47 -1.26 -5.05 116.67 110.12 2wmi s ASP 917 Ca 0.08 -1.38 -0.04 0.00 1.18 0.00 0.00 52.55 52.39 2wmi s ASP 917 Cb 0.13 0.59 0.32 0.00 -0.34 0.00 0.00 42.92 43.62 2wmi s ASP 917 CO 0.68 -1.16 1.85 0.00 0.68 0.00 0.00 175.17 177.22 2wmi h ALA 918 N 2.23 1.21 -0.41 2.11 0.00 -1.91 -1.17 119.26 121.32 2wmi h ALA 918 Ca -0.29 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.51 2wmi h ALA 918 Cb 1.24 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 2wmi h ALA 918 CO 0.40 0.60 0.18 -0.97 0.00 0.00 0.00 179.25 179.45 2wmi h ASN 919 N 1.04 0.23 -0.45 0.00 -0.73 -1.94 -1.17 115.58 112.56 2wmi h ASN 919 Ca 0.25 0.03 -0.12 0.00 1.87 0.00 0.00 56.30 58.34 2wmi h ASN 919 Cb 0.14 -0.00 -0.02 0.00 0.27 0.00 0.00 38.32 38.71 2wmi h ASN 919 CO -0.03 0.17 -0.17 1.56 -0.37 0.00 0.00 177.43 178.59 2wmi h GLN 920 N 0.36 0.94 -0.53 6.67 4.20 -1.87 -3.21 115.11 121.68 2wmi h GLN 920 Ca 0.19 -0.37 -0.03 0.00 0.06 0.00 0.00 58.65 58.50 2wmi h GLN 920 Cb 0.13 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 2wmi h GLN 920 CO -0.16 1.03 0.22 0.00 -0.67 0.00 0.00 178.83 179.25 2wmi h ALA 921 N 0.97 0.69 -0.36 3.87 0.00 -0.91 -1.98 119.26 121.54 2wmi h ALA 921 Ca 0.12 -0.15 0.10 0.00 0.00 0.00 0.00 54.91 54.99 2wmi h ALA 921 Cb 0.72 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2wmi h ALA 921 CO 0.06 0.28 0.32 -0.22 0.00 0.00 0.00 179.25 179.69 2wmi h LYS 922 N 0.71 0.00 -0.03 0.00 3.64 -1.23 -2.58 116.57 117.08 2wmi h LYS 922 Ca 0.18 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 2wmi h LYS 922 Cb 0.18 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 2wmi h LYS 922 CO -0.02 0.00 -0.10 1.63 -2.27 0.00 0.00 179.45 178.69 2wmi n LYS 923 N -4.03 2.06 -1.43 1.90 5.02 -0.78 -4.87 118.16 116.02 2wmi n LYS 923 Ca 0.06 -1.72 -0.37 0.00 -2.02 0.00 0.00 58.31 54.27 2wmi n LYS 923 Cb 0.49 -1.46 0.06 0.00 -0.02 0.00 0.00 35.03 34.11 2wmi n LYS 923 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2wmi n LEU 924 N 1.04 2.47 -4.77 -0.35 4.77 -0.98 -4.92 117.00 114.27 2wmi n LEU 924 Ca 0.13 0.70 -0.40 0.00 -0.03 0.00 0.00 56.01 56.41 2wmi n LEU 924 Cb 0.56 -1.32 0.01 0.00 -2.33 0.00 0.00 43.42 40.35 2wmi n LEU 924 CO 0.18 -2.43 1.05 -2.16 -1.33 0.00 0.00 177.39 172.70 2wmi s PRO 925 N -2.82 3.73 0.31 3.23 0.04 -1.26 -4.90 135.00 133.33 2wmi s PRO 925 Ca 0.72 2.37 -0.30 0.00 0.04 0.00 0.00 61.00 63.83 2wmi s PRO 925 Cb -0.38 -2.67 -0.11 0.00 0.04 0.00 0.00 34.50 31.38 2wmi s PRO 925 CO 0.52 -0.77 1.58 1.04 0.04 0.00 0.00 177.00 179.41 2wmi n GLN 926 N -0.15 2.72 0.03 4.56 1.13 -1.26 -4.89 117.38 119.51 2wmi n GLN 926 Ca 0.05 0.96 -0.07 0.00 -1.94 0.00 0.00 57.00 56.01 2wmi n GLN 926 Cb 0.42 -2.74 0.11 0.00 0.11 0.00 0.00 30.24 28.14 2wmi n GLN 926 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 2wmi h LEU 927 N 4.44 0.48 -0.19 1.08 5.85 -1.93 -3.50 115.31 121.54 2wmi h LEU 927 Ca -0.48 -0.24 0.12 0.00 0.84 0.00 0.00 57.88 58.13 2wmi h LEU 927 Cb 1.23 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 42.06 2wmi h LEU 927 CO 0.76 0.89 -0.39 0.35 -0.34 0.00 0.00 178.44 179.71 2wmi n THR 928 N -3.98 -0.21 0.04 1.05 -2.24 -1.26 -3.58 114.28 104.11 2wmi n THR 928 Ca -0.02 0.27 -0.13 0.00 -2.27 0.00 0.00 64.05 61.90 2wmi n THR 928 Cb 0.56 -0.43 -0.09 0.00 -2.10 0.00 0.00 70.33 68.26 2wmi n THR 928 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2wmi h LYS 929 N -0.48 -0.11 -0.69 -0.78 3.64 -1.97 -0.19 116.57 115.99 2wmi h LYS 929 Ca -0.05 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2wmi h LYS 929 Cb 0.47 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.28 2wmi h LYS 929 CO 0.02 0.23 0.41 0.87 -2.27 0.00 0.00 179.45 178.71 2wmi h LYS 930 N -0.45 0.93 -0.67 1.90 1.57 -2.00 -2.18 116.57 115.67 2wmi h LYS 930 Ca -0.01 -0.08 -0.08 0.00 -1.87 0.00 0.00 60.65 58.61 2wmi h LYS 930 Cb 0.38 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.47 2wmi h LYS 930 CO 0.02 0.65 0.09 0.78 -0.57 0.00 0.00 179.45 180.42 2wmi h GLY 931 N 0.97 1.20 1.30 3.86 0.00 -1.56 -1.85 103.07 107.00 2wmi h GLY 931 Ca 0.25 -0.81 -0.18 0.00 0.00 0.00 0.00 47.33 46.58 2wmi h GLY 931 CO -0.05 0.75 -0.58 0.00 0.00 0.00 0.00 176.54 176.67 2wmi h ALA 932 N 1.05 0.55 -0.76 3.60 0.00 -0.72 -0.27 119.26 122.70 2wmi h ALA 932 Ca 0.20 -0.53 0.03 0.00 0.00 0.00 0.00 54.91 54.61 2wmi h ALA 932 Cb 0.47 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 2wmi h ALA 932 CO 0.02 0.69 0.48 0.82 0.00 0.00 0.00 179.25 181.26 2wmi h ILE 933 N 0.55 1.12 -0.47 0.00 2.04 -1.35 -0.63 117.51 118.77 2wmi h ILE 933 Ca 0.00 -0.33 -0.09 0.00 1.00 0.00 0.00 64.86 65.45 2wmi h ILE 933 Cb 1.16 0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 2wmi h ILE 933 CO 0.12 0.17 -0.06 0.50 0.00 0.00 0.00 178.15 178.88 2wmi h LYS 934 N 0.95 0.82 -0.57 2.37 3.64 -1.17 -1.45 116.57 121.16 2wmi h LYS 934 Ca 0.30 -0.25 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 2wmi h LYS 934 Cb -0.00 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.71 2wmi h LYS 934 CO -0.11 0.86 0.32 2.35 -2.27 0.00 0.00 179.45 180.61 2wmi h TRP 935 N 0.75 0.77 0.02 1.91 7.01 -0.54 -1.12 115.95 124.75 2wmi h TRP 935 Ca 0.13 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.12 2wmi h TRP 935 Cb 0.54 -0.25 -0.01 0.00 -2.10 0.00 0.00 29.16 27.35 2wmi h TRP 935 CO 0.03 0.55 -0.03 0.82 -2.79 0.00 0.00 178.44 177.02 2wmi h ILE 936 N 0.76 0.92 -0.54 2.65 2.04 -0.66 0.16 117.51 122.84 2wmi h ILE 936 Ca 0.20 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.16 2wmi h ILE 936 Cb 0.03 0.92 -0.08 0.00 -0.74 0.00 0.00 36.82 36.95 2wmi h ILE 936 CO -0.03 0.00 0.10 -0.33 0.00 0.00 0.00 178.15 177.88 2wmi h GLU 937 N -0.07 0.22 0.00 2.37 5.08 -1.02 0.31 114.58 121.47 2wmi h GLU 937 Ca 0.01 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2wmi h GLU 937 Cb 0.08 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 2wmi h GLU 937 CO -0.02 0.15 -1.56 0.39 -1.00 0.00 0.00 179.01 176.97 2wmi n GLU 938 N -5.14 0.64 0.00 2.33 -0.58 -0.45 -3.74 120.64 113.70 2wmi n GLU 938 Ca 0.07 -0.04 0.00 0.00 -0.42 0.00 0.00 57.16 56.76 2wmi n GLU 938 Cb 0.28 -1.66 0.00 0.00 -0.57 0.00 0.00 31.44 29.48 2wmi n GLU 938 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 2wmi n HIS 939 N -2.47 0.00 0.01 -0.32 8.25 0.53 -4.49 115.22 116.73 2wmi n HIS 939 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 2wmi n HIS 939 Cb 0.58 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.69 2wmi n HIS 939 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 2wmi n TYR 940 N -0.11 -0.01 -0.23 4.41 9.36 -0.18 -3.87 117.16 126.53 2wmi n TYR 940 Ca 0.00 0.00 0.01 0.00 3.32 0.00 0.00 57.90 61.23 2wmi n TYR 940 Cb 0.11 0.03 0.25 0.00 -0.63 0.00 0.00 39.34 39.09 2wmi n TYR 940 CO 0.00 0.00 0.00 0.82 0.22 0.00 0.00 176.86 177.90 2wmi h ILE 941 N 0.00 1.18 -3.96 2.97 1.08 -0.64 -3.41 117.51 114.73 2wmi h ILE 941 Ca 0.00 -0.35 -0.28 0.00 -0.39 0.00 0.00 64.86 63.84 2wmi h ILE 941 Cb 0.85 0.07 -0.15 0.00 -3.07 0.00 0.00 36.82 34.52 2wmi h ILE 941 CO 0.00 0.19 -0.64 -1.59 -0.69 0.00 0.00 178.15 175.41 2wmi s LYS 942 N -5.86 1.17 -1.58 2.37 -2.85 -1.25 -4.85 119.74 106.90 2wmi s LYS 942 Ca -0.11 -1.59 -0.15 0.00 -1.00 0.00 0.00 55.97 53.12 2wmi s LYS 942 Cb 0.18 -0.13 0.11 0.00 -2.06 0.00 0.00 37.83 35.94 2wmi s LYS 942 CO 0.78 -0.22 0.85 -0.25 0.10 0.00 0.00 175.35 176.61 2wmi n ASP 943 N -0.28 -4.15 -4.77 0.03 8.00 -1.26 -3.22 116.55 110.90 2wmi n ASP 943 Ca -0.04 -0.82 -0.40 0.00 0.71 0.00 0.00 54.79 54.25 2wmi n ASP 943 Cb 0.64 -3.35 -0.03 0.00 -0.02 0.00 0.00 41.12 38.36 2wmi n ASP 943 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2wmi s THR 944 N -3.24 3.24 -1.03 -3.53 -1.32 -1.25 -4.73 115.64 103.77 2wmi s THR 944 Ca 0.67 1.17 -0.15 0.00 -1.21 0.00 0.00 61.69 62.17 2wmi s THR 944 Cb -0.35 -3.71 0.18 0.00 -1.51 0.00 0.00 72.50 67.11 2wmi s THR 944 CO 0.83 0.22 1.17 -1.10 -2.21 0.00 0.00 174.62 173.53 2wmi s GLN 945 N -1.83 3.86 0.62 7.08 -1.52 -1.26 -5.02 119.66 121.59 2wmi s GLN 945 Ca 0.50 -2.37 -0.18 0.00 -1.95 0.00 0.00 55.36 51.37 2wmi s GLN 945 Cb -0.33 -4.84 -0.02 0.00 -0.22 0.00 0.00 33.01 27.60 2wmi s GLN 945 CO 0.42 -1.62 1.17 -0.06 -0.25 0.00 0.00 175.29 174.96 2wmi s PHE 946 N 1.33 2.43 0.98 0.91 0.08 -1.26 -0.36 117.98 122.09 2wmi s PHE 946 Ca 0.33 1.54 -0.14 0.00 0.12 0.00 0.00 56.93 58.79 2wmi s PHE 946 Cb -0.06 -3.39 0.18 0.00 -0.57 0.00 0.00 43.02 39.18 2wmi s PHE 946 CO -0.06 -2.06 1.15 0.20 -0.10 0.00 0.00 175.22 174.35 2wmi s GLY 947 N -1.87 1.60 0.41 4.36 0.00 -1.18 -4.36 107.32 106.27 2wmi s GLY 947 Ca 0.74 -0.66 -0.22 0.00 0.00 0.00 0.00 44.72 44.58 2wmi s GLY 947 CO 0.35 -0.01 0.98 -0.54 0.00 0.00 0.00 173.10 173.88 2wmi s GLU 948 N -5.33 4.23 0.32 2.90 0.41 -1.26 -4.98 118.70 114.99 2wmi s GLU 948 Ca 0.66 1.26 -0.28 0.00 -0.41 0.00 0.00 54.97 56.20 2wmi s GLU 948 Cb -0.13 -2.35 -0.13 0.00 -1.78 0.00 0.00 34.13 29.74 2wmi s GLU 948 CO 0.54 -0.04 1.11 1.63 -0.49 0.00 0.00 175.26 178.01 2wmi n LYS 949 N -0.35 1.63 -4.15 1.61 5.02 -1.26 -4.64 118.16 116.01 2wmi n LYS 949 Ca 0.06 0.57 -0.10 0.00 -2.02 0.00 0.00 58.31 56.82 2wmi n LYS 949 Cb 0.52 -2.03 -0.10 0.00 -0.02 0.00 0.00 35.03 33.40 2wmi n LYS 949 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 2wmi s ARG 950 N -1.71 0.79 -0.09 1.97 1.70 0.28 -4.78 118.95 117.11 2wmi s ARG 950 Ca 0.58 -1.29 -0.14 0.00 -0.47 0.00 0.00 55.73 54.40 2wmi s ARG 950 Cb -0.64 -0.15 -0.05 0.00 -0.57 0.00 0.00 34.95 33.54 2wmi s ARG 950 CO 0.61 -0.03 0.36 0.08 -1.08 0.00 0.00 175.30 175.24 2wmi s VAL 951 N -3.57 5.20 -0.05 4.99 1.01 -1.26 -1.58 120.40 125.14 2wmi s VAL 951 Ca 0.10 0.71 0.06 0.00 0.00 0.00 0.00 61.98 62.85 2wmi s VAL 951 Cb 0.05 -3.68 -0.02 0.00 0.00 0.00 0.00 36.38 32.73 2wmi s VAL 951 CO -0.05 0.47 -0.22 -0.89 0.00 0.00 0.00 175.10 174.41 2wmi s THR 952 N -0.20 2.37 -0.06 3.92 2.01 -0.35 -4.52 115.64 118.81 2wmi s THR 952 Ca 0.21 -0.97 0.05 0.00 0.31 0.00 0.00 61.69 61.30 2wmi s THR 952 Cb -0.15 -1.88 -0.01 0.00 0.01 0.00 0.00 72.50 70.47 2wmi s THR 952 CO 0.09 0.58 -0.23 -0.54 -0.69 0.00 0.00 174.62 173.83 2wmi s LYS 953 N -0.41 2.57 -0.08 4.92 1.02 -1.00 -0.61 119.74 126.16 2wmi s LYS 953 Ca 0.04 -0.86 0.00 0.00 0.02 0.00 0.00 55.97 55.17 2wmi s LYS 953 Cb -0.12 -2.22 0.02 0.00 -0.52 0.00 0.00 37.83 34.99 2wmi s LYS 953 CO 0.02 0.42 -0.07 0.42 -0.92 0.00 0.00 175.35 175.21 2wmi s ILE 954 N -0.24 0.88 -0.19 2.17 1.01 -0.17 -1.32 121.20 123.33 2wmi s ILE 954 Ca -0.01 -0.25 -0.01 0.00 0.00 0.00 0.00 60.65 60.39 2wmi s ILE 954 Cb -0.13 -0.89 0.01 0.00 0.01 0.00 0.00 42.46 41.45 2wmi s ILE 954 CO 0.03 0.33 -0.14 -0.69 0.00 0.00 0.00 174.94 174.47 2wmi s VAL 955 N 1.37 2.64 -0.17 2.92 1.01 0.36 -0.15 120.40 128.39 2wmi s VAL 955 Ca -0.02 -0.75 -0.05 0.00 0.00 0.00 0.00 61.98 61.16 2wmi s VAL 955 Cb -0.14 -2.15 -0.03 0.00 0.00 0.00 0.00 36.38 34.06 2wmi s VAL 955 CO -0.04 0.49 0.00 -0.76 0.00 0.00 0.00 175.10 174.80 2wmi s LEU 956 N 1.25 3.47 0.08 3.92 1.43 -0.02 -0.78 118.68 128.04 2wmi s LEU 956 Ca 0.03 -0.05 0.08 0.00 -1.03 0.00 0.00 54.13 53.17 2wmi s LEU 956 Cb -0.14 -1.85 -0.04 0.00 0.03 0.00 0.00 46.19 44.19 2wmi s LEU 956 CO -0.07 0.17 -0.20 -0.13 0.23 0.00 0.00 176.35 176.35 2wmi s ARG 957 N 0.38 1.87 0.00 1.70 0.52 -0.09 -1.32 118.95 122.02 2wmi s ARG 957 Ca -0.01 -1.11 0.00 0.00 -0.52 0.00 0.00 55.73 54.09 2wmi s ARG 957 Cb -0.13 -2.11 0.00 0.00 0.52 0.00 0.00 34.95 33.22 2wmi s ARG 957 CO 0.02 0.50 0.00 0.41 0.02 0.00 0.00 175.30 176.25 2wmi n GLY 958 N 1.19 0.97 3.30 -3.53 0.00 -0.17 -2.15 105.19 104.80 2wmi n GLY 958 Ca -0.16 -0.49 -0.32 0.00 0.00 0.00 0.00 46.02 45.05 2wmi n GLY 958 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wmi s ILE 959 N -2.67 2.36 -0.04 -0.61 -1.09 0.35 -4.82 121.20 114.68 2wmi s ILE 959 Ca 0.00 -0.94 0.17 0.00 -2.23 0.00 0.00 60.65 57.65 2wmi s ILE 959 Cb 0.00 -1.90 -0.27 0.00 -1.58 0.00 0.00 42.46 38.71 2wmi s ILE 959 CO 0.00 0.56 0.35 0.47 -1.23 0.00 0.00 174.94 175.10 2wmi n ASP 960 N 3.12 0.99 -4.17 3.58 8.00 -1.26 -3.85 116.55 122.96 2wmi n ASP 960 Ca -0.18 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.18 2wmi n ASP 960 Cb 0.52 1.72 -0.11 0.00 -0.02 0.00 0.00 41.12 43.23 2wmi n ASP 960 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 2wmi s LYS 961 N -3.14 0.84 -0.04 -1.24 -2.85 -1.26 -5.03 119.74 107.01 2wmi s LYS 961 Ca -0.07 -1.14 -0.29 0.00 -1.00 0.00 0.00 55.97 53.47 2wmi s LYS 961 Cb 0.11 -0.53 -0.07 0.00 -2.06 0.00 0.00 37.83 35.27 2wmi s LYS 961 CO 0.72 0.08 2.01 -1.17 0.10 0.00 0.00 175.35 177.09 2wmi s LEU 962 N -2.41 4.15 0.83 2.77 2.96 -1.26 -4.97 118.68 120.74 2wmi s LEU 962 Ca 0.05 2.41 -0.11 0.00 -0.22 0.00 0.00 54.13 56.26 2wmi s LEU 962 Cb -0.03 -3.53 0.09 0.00 0.50 0.00 0.00 46.19 43.23 2wmi s LEU 962 CO -0.00 -1.30 1.13 -2.84 -1.32 0.00 0.00 176.35 172.03 2wmi s PRO 963 N 4.95 1.68 0.11 0.98 0.02 -1.26 -4.95 135.00 136.54 2wmi s PRO 963 Ca 0.90 1.43 0.07 0.00 0.02 0.00 0.00 61.00 63.43 2wmi s PRO 963 Cb -0.39 -1.81 -0.04 0.00 0.02 0.00 0.00 34.50 32.28 2wmi s PRO 963 CO 0.39 -2.12 -0.09 0.95 -0.33 0.00 0.00 177.00 175.80 2wmi s THR 964 N -2.64 3.39 -0.15 0.99 -4.23 -0.51 -4.91 115.64 107.57 2wmi s THR 964 Ca 0.66 -1.30 -0.13 0.00 -1.18 0.00 0.00 61.69 59.73 2wmi s THR 964 Cb -0.21 -2.60 -0.05 0.00 1.34 0.00 0.00 72.50 70.98 2wmi s THR 964 CO 0.55 0.08 0.28 -0.63 -0.54 0.00 0.00 174.62 174.36 2wmi s ILE 965 N -1.28 5.31 0.09 2.99 1.01 -1.26 -0.94 121.20 127.11 2wmi s ILE 965 Ca 0.22 0.52 0.03 0.00 0.00 0.00 0.00 60.65 61.43 2wmi s ILE 965 Cb -0.11 -3.61 -0.03 0.00 0.01 0.00 0.00 42.46 38.72 2wmi s ILE 965 CO 0.14 0.42 -0.10 -1.00 0.00 0.00 0.00 174.94 174.41 2wmi s HIS 966 N 0.24 1.01 -1.43 3.97 3.76 0.03 -4.90 115.29 117.97 2wmi s HIS 966 Ca 0.16 -0.65 -0.05 0.00 -0.15 0.00 0.00 55.06 54.37 2wmi s HIS 966 Cb -0.13 -0.56 0.04 0.00 1.11 0.00 0.00 32.58 33.04 2wmi s HIS 966 CO 0.04 -0.02 0.69 0.43 -0.85 0.00 0.00 174.74 175.03 2wmi n SER 967 N 0.66 -1.97 -4.69 1.40 7.64 -1.26 -1.26 113.62 114.14 2wmi n SER 967 Ca -0.17 -0.89 -0.42 0.00 1.01 0.00 0.00 58.87 58.40 2wmi n SER 967 Cb 0.57 -3.56 -0.03 0.00 -1.01 0.00 0.00 64.21 60.19 2wmi n SER 967 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2wmi s LEU 968 N -6.97 4.28 0.25 -3.43 2.96 -1.26 -4.07 118.68 110.43 2wmi s LEU 968 Ca 0.24 1.73 -0.17 0.00 -0.22 0.00 0.00 54.13 55.72 2wmi s LEU 968 Cb -0.12 -3.56 0.01 0.00 0.50 0.00 0.00 46.19 43.02 2wmi s LEU 968 CO 0.85 -0.52 0.57 -0.94 -1.32 0.00 0.00 176.35 174.99 2wmi s SER 969 N 1.32 -0.18 0.00 3.68 1.04 -0.50 -5.02 113.70 114.04 2wmi s SER 969 Ca 0.54 -0.73 0.00 0.00 0.48 0.00 0.00 55.95 56.24 2wmi s SER 969 Cb -0.23 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.53 2wmi s SER 969 CO 0.21 -1.19 0.00 0.61 0.98 0.00 0.00 173.24 173.85 2wmi n GLY 970 N -0.40 -1.70 3.63 7.32 0.00 -1.26 -0.87 105.19 111.91 2wmi n GLY 970 Ca -0.04 -1.14 -0.49 0.00 0.00 0.00 0.00 46.02 44.35 2wmi n GLY 970 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2wmi n THR 971 N 3.75 0.01 -1.61 2.61 -1.04 -0.02 -4.84 114.28 113.14 2wmi n THR 971 Ca 0.00 -0.00 -0.51 0.00 -2.04 0.00 0.00 64.05 61.50 2wmi n THR 971 Cb 0.00 -1.17 -0.06 0.00 -1.82 0.00 0.00 70.33 67.28 2wmi n THR 971 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2wmi n ASN 972 N 3.00 1.94 -1.58 8.00 3.02 -1.26 -2.45 115.26 125.93 2wmi n ASN 972 Ca 0.18 1.11 -0.18 0.00 -0.03 0.00 0.00 54.58 55.66 2wmi n ASN 972 Cb 0.24 -1.23 -0.05 0.00 -0.61 0.00 0.00 39.78 38.13 2wmi n ASN 972 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2wmi n ASN 973 N 2.87 -5.12 -0.26 6.41 5.03 -1.26 -4.89 115.26 118.04 2wmi n ASN 973 Ca 0.19 0.28 0.03 0.00 0.87 0.00 0.00 54.58 55.94 2wmi n ASN 973 Cb 0.20 -4.18 0.04 0.00 -1.02 0.00 0.00 39.78 34.82 2wmi n ASN 973 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 2wmi n SER 974 N -1.01 1.77 -3.73 6.41 3.41 -1.03 -5.03 113.62 114.41 2wmi n SER 974 Ca -0.19 -1.46 -0.14 0.00 -0.26 0.00 0.00 58.87 56.83 2wmi n SER 974 Cb 0.61 -0.03 -0.09 0.00 -0.26 0.00 0.00 64.21 64.43 2wmi n SER 974 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 2wmi s TYR 975 N -0.63 -0.33 0.55 7.33 -0.85 -1.26 -1.27 117.35 120.89 2wmi s TYR 975 Ca 0.08 0.69 -0.06 0.00 -0.52 0.00 0.00 57.07 57.26 2wmi s TYR 975 Cb 0.05 0.14 -0.01 0.00 0.38 0.00 0.00 41.96 42.52 2wmi s TYR 975 CO 0.07 -0.32 0.86 -0.51 -1.52 0.00 0.00 175.55 174.13 2wmi s ASP 976 N -0.61 5.91 0.15 -0.18 1.01 -0.78 -5.03 116.67 117.14 2wmi s ASP 976 Ca -0.07 0.85 -0.32 0.00 0.71 0.00 0.00 52.55 53.71 2wmi s ASP 976 Cb -0.04 -1.98 -0.12 0.00 1.01 0.00 0.00 42.92 41.80 2wmi s ASP 976 CO 0.03 -0.85 1.76 1.67 0.21 0.00 0.00 175.17 177.99 2wmi n GLN 977 N -2.46 2.66 -1.68 8.23 -0.06 -1.26 -4.71 117.38 118.09 2wmi n GLN 977 Ca 0.03 0.96 -0.44 0.00 -2.00 0.00 0.00 57.00 55.55 2wmi n GLN 977 Cb 0.56 -2.82 -0.02 0.00 -4.06 0.00 0.00 30.24 23.90 2wmi n GLN 977 CO 0.00 0.00 0.00 -2.30 -0.20 0.00 0.00 177.06 174.56 2wmi n PRO 978 N 4.74 2.14 -3.27 3.69 -0.02 -1.26 -4.90 135.00 136.12 2wmi n PRO 978 Ca 0.17 0.76 -0.38 0.00 -2.02 0.00 0.00 63.50 62.03 2wmi n PRO 978 Cb 0.35 -2.44 -0.06 0.00 -0.02 0.00 0.00 33.50 31.33 2wmi n PRO 978 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2wmi s SER 979 N 0.29 6.91 -0.15 2.55 0.01 -0.41 -4.93 113.70 117.97 2wmi s SER 979 Ca 0.67 1.08 0.01 0.00 1.31 0.00 0.00 55.95 59.02 2wmi s SER 979 Cb -0.62 -2.33 0.00 0.00 0.21 0.00 0.00 66.02 63.28 2wmi s SER 979 CO 0.50 0.13 -0.18 -0.76 0.41 0.00 0.00 173.24 173.34 2wmi s LEU 980 N -0.27 2.33 -0.49 2.44 1.02 -1.26 -1.13 118.68 121.32 2wmi s LEU 980 Ca 0.29 -0.53 0.02 0.00 0.02 0.00 0.00 54.13 53.93 2wmi s LEU 980 Cb -0.18 -1.52 0.13 0.00 0.02 0.00 0.00 46.19 44.65 2wmi s LEU 980 CO 0.16 0.08 0.25 0.21 0.02 0.00 0.00 176.35 177.07 2wmi s ASN 981 N 0.82 4.71 -0.28 2.29 2.47 0.24 -4.98 114.94 120.21 2wmi s ASN 981 Ca -0.06 -2.70 -0.27 0.00 0.42 0.00 0.00 52.86 50.26 2wmi s ASN 981 Cb -0.15 -1.70 0.01 0.00 -1.45 0.00 0.00 41.25 37.95 2wmi s ASN 981 CO -0.01 -0.32 0.96 0.12 -3.72 0.00 0.00 177.10 174.13 2wmi s PHE 982 N 0.16 3.23 -0.54 0.43 5.36 -1.26 -1.55 117.98 123.80 2wmi s PHE 982 Ca 0.15 1.15 -0.16 0.00 -0.96 0.00 0.00 56.93 57.11 2wmi s PHE 982 Cb -0.23 -3.38 0.13 0.00 -0.34 0.00 0.00 43.02 39.19 2wmi s PHE 982 CO -0.03 -0.60 0.51 0.34 -1.46 0.00 0.00 175.22 173.98 2wmi s ASP 983 N 1.50 6.19 0.10 6.13 -1.08 0.11 -4.98 116.67 124.64 2wmi s ASP 983 Ca 0.40 -1.75 -0.23 0.00 -0.52 0.00 0.00 52.55 50.45 2wmi s ASP 983 Cb -0.14 -2.21 -0.11 0.00 -1.46 0.00 0.00 42.92 38.99 2wmi s ASP 983 CO 0.11 -0.87 1.71 -0.61 0.52 0.00 0.00 175.17 176.04 2wmi h GLN 984 N 8.90 -0.11 0.00 4.34 5.75 -1.95 -1.76 115.11 130.29 2wmi h GLN 984 Ca -0.30 0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 58.19 2wmi h GLN 984 Cb 1.10 0.02 -0.00 0.00 1.07 0.00 0.00 27.48 29.67 2wmi h GLN 984 CO 1.04 -0.07 -0.09 1.57 -2.65 0.00 0.00 178.83 178.63 2wmi h LYS 985 N -0.11 0.00 -0.41 1.69 2.10 -1.95 -2.18 116.57 115.71 2wmi h LYS 985 Ca 0.02 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.67 2wmi h LYS 985 Cb 0.14 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.47 2wmi h LYS 985 CO -0.06 0.09 0.00 0.09 -2.00 0.00 0.00 179.45 177.57 2wmi n ASN 986 N -4.37 3.21 -4.00 7.07 5.03 -1.12 -4.98 115.26 116.10 2wmi n ASN 986 Ca -0.03 -1.93 -0.26 0.00 0.87 0.00 0.00 54.58 53.23 2wmi n ASN 986 Cb 0.16 -0.27 -0.03 0.00 -1.02 0.00 0.00 39.78 38.63 2wmi n ASN 986 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 2wmi n HIS 987 N 1.10 -1.60 -3.93 3.10 8.25 -0.72 -4.66 115.22 116.76 2wmi n HIS 987 Ca 0.16 0.72 -0.10 0.00 -0.26 0.00 0.00 57.72 58.25 2wmi n HIS 987 Cb 0.51 -3.61 -0.10 0.00 1.12 0.00 0.00 29.99 27.91 2wmi n HIS 987 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2wmi s MET 988 N -6.66 0.49 -0.03 -0.41 0.23 -0.87 -0.50 119.30 111.56 2wmi s MET 988 Ca 0.01 -0.64 0.02 0.00 -1.03 0.00 0.00 55.69 54.05 2wmi s MET 988 Cb -0.00 0.19 0.01 0.00 -1.53 0.00 0.00 34.83 33.49 2wmi s MET 988 CO 0.90 -0.11 -0.07 0.54 -2.03 0.00 0.00 175.02 174.25 2wmi s VAL 989 N -2.03 0.64 -0.25 5.16 0.11 -0.43 0.10 120.40 123.70 2wmi s VAL 989 Ca -0.10 -0.27 -0.10 0.00 -2.93 0.00 0.00 61.98 58.58 2wmi s VAL 989 Cb -0.05 -0.59 -0.05 0.00 -1.53 0.00 0.00 36.38 34.17 2wmi s VAL 989 CO -0.02 0.21 0.15 -0.89 -3.33 0.00 0.00 175.10 171.22 2wmi s THR 990 N 0.32 5.14 -0.20 5.04 2.01 -0.60 -0.84 115.64 126.51 2wmi s THR 990 Ca -0.04 0.11 -0.04 0.00 0.31 0.00 0.00 61.69 62.02 2wmi s THR 990 Cb -0.09 -3.41 -0.02 0.00 0.01 0.00 0.00 72.50 69.00 2wmi s THR 990 CO 0.00 0.33 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.60 2wmi s ILE 991 N 1.28 3.62 -0.19 1.82 1.01 0.79 -0.59 121.20 128.94 2wmi s ILE 991 Ca 0.07 -0.42 -0.03 0.00 0.00 0.00 0.00 60.65 60.27 2wmi s ILE 991 Cb -0.14 -2.63 -0.01 0.00 0.01 0.00 0.00 42.46 39.69 2wmi s ILE 991 CO 0.06 0.44 -0.08 -0.89 0.00 0.00 0.00 174.94 174.47 2wmi s THR 992 N 1.10 3.21 -0.05 2.92 2.01 -0.28 -1.00 115.64 123.54 2wmi s THR 992 Ca 0.02 -0.56 0.03 0.00 0.31 0.00 0.00 61.69 61.48 2wmi s THR 992 Cb -0.15 -2.42 -0.03 0.00 0.01 0.00 0.00 72.50 69.91 2wmi s THR 992 CO 0.00 0.46 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.64 2wmi s ILE 993 N 1.14 3.26 -0.23 1.82 1.01 0.22 -1.29 121.20 127.14 2wmi s ILE 993 Ca 0.01 -0.65 -0.01 0.00 0.00 0.00 0.00 60.65 60.00 2wmi s ILE 993 Cb -0.14 -2.29 0.07 0.00 0.01 0.00 0.00 42.46 40.10 2wmi s ILE 993 CO -0.02 0.59 0.01 0.21 0.00 0.00 0.00 174.94 175.74 2wmi s ASN 994 N -0.76 3.43 0.21 3.58 3.04 -1.26 -1.21 114.94 121.97 2wmi s ASN 994 Ca 0.12 -1.08 -0.22 0.00 0.04 0.00 0.00 52.86 51.72 2wmi s ASN 994 Cb -0.11 -0.86 0.05 0.00 -1.54 0.00 0.00 41.25 38.79 2wmi s ASN 994 CO 0.01 -0.30 0.64 -0.94 -3.04 0.00 0.00 177.10 173.47 2wmi s SER 995 N 1.64 -0.42 -0.34 -4.21 1.04 -0.61 -1.87 113.70 108.93 2wmi s SER 995 Ca -0.01 -0.29 0.04 0.00 0.48 0.00 0.00 55.95 56.17 2wmi s SER 995 Cb -0.18 0.65 0.17 0.00 0.10 0.00 0.00 66.02 66.76 2wmi s SER 995 CO -0.10 -1.13 0.46 0.21 0.98 0.00 0.00 173.24 173.67 2wmi s ASN 996 N -2.83 0.07 0.00 7.02 3.04 -0.39 -0.56 114.94 121.29 2wmi s ASN 996 Ca 0.06 -0.79 0.00 0.00 0.04 0.00 0.00 52.86 52.16 2wmi s ASN 996 Cb -0.03 1.19 0.00 0.00 -1.54 0.00 0.00 41.25 40.87 2wmi s ASN 996 CO -0.04 -0.28 0.00 0.61 -3.04 0.00 0.00 177.10 174.35 2wmi n GLY 997 N 4.82 -0.52 3.84 1.21 0.00 -1.26 -4.76 105.19 108.53 2wmi n GLY 997 Ca 0.06 -1.33 -0.34 0.00 0.00 0.00 0.00 46.02 44.41 2wmi n GLY 997 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2wmi s ASN 998 N -4.00 6.82 -0.07 1.61 3.04 -1.26 -1.99 114.94 119.09 2wmi s ASN 998 Ca 0.00 1.21 -0.07 0.00 0.04 0.00 0.00 52.86 54.04 2wmi s ASN 998 Cb 0.00 -2.34 0.02 0.00 -1.54 0.00 0.00 41.25 37.39 2wmi s ASN 998 CO 0.00 -0.08 0.20 -0.22 -3.04 0.00 0.00 177.10 173.97 2wmi s LEU 999 N -2.55 1.24 -0.05 3.21 2.96 0.63 -0.84 118.68 123.27 2wmi s LEU 999 Ca 0.48 0.34 -0.10 0.00 -0.22 0.00 0.00 54.13 54.63 2wmi s LEU 999 Cb -0.13 0.72 0.02 0.00 0.50 0.00 0.00 46.19 47.30 2wmi s LEU 999 CO 0.19 -0.11 0.24 -1.83 -1.32 0.00 0.00 176.35 173.52 2wmi s GLU 1000N -0.07 0.43 0.10 1.98 -1.05 -0.05 -0.73 118.70 119.31 2wmi s GLU 1000Ca -0.02 0.03 -0.27 0.00 -0.15 0.00 0.00 54.97 54.56 2wmi s GLU 1000Cb -0.02 0.20 0.08 0.00 -0.44 0.00 0.00 34.13 33.94 2wmi s GLU 1000CO 0.01 -0.09 1.01 -0.59 0.95 0.00 0.00 175.26 176.54 2wmi s PHE 1001N -0.61 -0.14 -0.02 4.83 -0.12 -0.69 -1.41 117.98 119.83 2wmi s PHE 1001Ca -0.07 -0.11 0.08 0.00 -0.05 0.00 0.00 56.93 56.78 2wmi s PHE 1001Cb -0.04 0.61 -0.02 0.00 -0.63 0.00 0.00 43.02 42.94 2wmi s PHE 1001CO 0.02 -0.69 -0.25 -1.21 -0.05 0.00 0.00 175.22 173.03 2wmi s GLU 1002N -3.11 2.05 -0.21 1.99 2.02 -0.38 -0.49 118.70 120.57 2wmi s GLU 1002Ca 0.12 -0.91 -0.09 0.00 0.02 0.00 0.00 54.97 54.11 2wmi s GLU 1002Cb -0.00 -1.99 -0.04 0.00 0.10 0.00 0.00 34.13 32.20 2wmi s GLU 1002CO -0.00 0.54 0.11 -0.51 0.02 0.00 0.00 175.26 175.42 2wmi s LEU 1003N -0.60 3.96 -0.18 1.80 1.43 0.34 -0.79 118.68 124.62 2wmi s LEU 1003Ca 0.10 0.09 -0.06 0.00 -1.03 0.00 0.00 54.13 53.23 2wmi s LEU 1003Cb -0.10 -2.03 -0.04 0.00 0.03 0.00 0.00 46.19 44.06 2wmi s LEU 1003CO -0.01 0.12 0.04 -1.00 0.23 0.00 0.00 176.35 175.73 2wmi s HIS 1004N 0.70 3.17 0.00 0.29 3.76 -0.12 -1.03 115.29 122.05 2wmi s HIS 1004Ca 0.06 -0.09 0.00 0.00 -0.15 0.00 0.00 55.06 54.88 2wmi s HIS 1004Cb -0.13 -2.07 0.00 0.00 1.11 0.00 0.00 32.58 31.50 2wmi s HIS 1004CO 0.01 0.04 0.00 1.97 -0.85 0.00 0.00 174.74 175.91