#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wmi n ASP 423 N 0.00 3.37 -4.78 4.52 8.00 -1.26 -4.68 116.55 121.72 2wmi n ASP 423 Ca 0.00 1.05 -0.41 0.00 0.71 0.00 0.00 54.79 56.14 2wmi n ASP 423 Cb 0.00 -1.45 -0.00 0.00 -0.02 0.00 0.00 41.12 39.65 2wmi n ASP 423 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2wmi s LYS 424 N 1.67 4.11 0.45 -1.24 -0.14 -1.26 -4.49 119.74 118.84 2wmi s LYS 424 Ca 0.81 2.58 0.25 0.00 -1.36 0.00 0.00 55.97 58.25 2wmi s LYS 424 Cb -0.64 -2.97 0.67 0.00 -1.68 0.00 0.00 37.83 33.21 2wmi s LYS 424 CO 0.39 -0.56 1.72 0.00 -0.76 0.00 0.00 175.35 176.15 2wmi h ARG 425 N 3.27 0.00 -3.31 1.68 3.08 -1.26 -3.45 114.38 114.38 2wmi h ARG 425 Ca -0.50 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.50 2wmi h ARG 425 Cb 1.24 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 31.16 2wmi h ARG 425 CO 0.66 0.09 -0.01 -0.98 -1.07 0.00 0.00 179.97 178.66 2wmi s ARG 426 N -3.37 1.13 0.03 0.04 1.70 -1.26 -5.05 118.95 112.17 2wmi s ARG 426 Ca 0.04 -0.68 -0.15 0.00 -0.47 0.00 0.00 55.73 54.48 2wmi s ARG 426 Cb 0.07 0.50 -0.06 0.00 -0.57 0.00 0.00 34.95 34.89 2wmi s ARG 426 CO 0.64 -0.46 0.44 -2.00 -1.08 0.00 0.00 175.30 172.84 2wmi s GLU 427 N -3.80 3.94 -0.19 3.89 2.56 -1.26 -5.07 118.70 118.76 2wmi s GLU 427 Ca 0.03 0.44 -0.03 0.00 0.00 0.00 0.00 54.97 55.41 2wmi s GLU 427 Cb 0.01 -3.18 0.06 0.00 2.00 0.00 0.00 34.13 33.02 2wmi s GLU 427 CO -0.11 0.66 0.05 0.42 -0.56 0.00 0.00 175.26 175.71 2wmi s ILE 428 N -1.14 0.44 0.08 -3.70 1.01 -1.26 -4.85 121.20 111.78 2wmi s ILE 428 Ca 0.26 -0.52 -0.05 0.00 0.00 0.00 0.00 60.65 60.34 2wmi s ILE 428 Cb -0.17 -0.98 0.02 0.00 0.01 0.00 0.00 42.46 41.35 2wmi s ILE 428 CO 0.15 -0.23 0.27 -0.46 0.00 0.00 0.00 174.94 174.67 2wmi n ASN 429 N 5.08 -0.59 -0.29 3.58 0.23 -0.44 -4.84 115.26 117.99 2wmi n ASN 429 Ca -0.08 -1.36 0.06 0.00 -0.53 0.00 0.00 54.58 52.67 2wmi n ASN 429 Cb 0.47 0.96 0.27 0.00 -2.08 0.00 0.00 39.78 39.41 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 0.58 0.85 1.65 0.53 -1.07 -1.90 -0.22 115.58 116.00 2wmi h ASN 430 Ca -0.09 0.02 0.00 0.00 0.07 0.00 0.00 56.30 56.30 2wmi h ASN 430 Cb 0.36 -0.16 0.00 0.00 -2.07 0.00 0.00 38.32 36.45 2wmi h ASN 430 CO 0.12 0.52 -0.27 -0.33 0.07 0.00 0.00 177.43 177.53 2wmi h GLU 431 N 0.95 0.00 -2.14 4.14 5.08 -1.91 -3.35 114.58 117.34 2wmi h GLU 431 Ca 0.40 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 58.19 2wmi h GLU 431 Cb 0.32 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 29.16 2wmi h GLU 431 CO -0.17 0.00 -0.78 0.72 -1.00 0.00 0.00 179.01 177.79 2wmi n HIS 432 N -2.86 2.44 -1.28 4.33 8.25 -0.18 -4.99 115.22 120.92 2wmi n HIS 432 Ca 0.03 -3.96 -0.30 0.00 -0.26 0.00 0.00 57.72 53.24 2wmi n HIS 432 Cb 0.52 -0.48 0.22 0.00 1.12 0.00 0.00 29.99 31.37 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 -2.33 -0.70 -0.05 -0.41 0.04 -0.70 -1.33 135.00 129.52 2wmi s PRO 433 Ca 0.40 -0.12 0.00 0.00 0.04 0.00 0.00 61.00 61.33 2wmi s PRO 433 Cb 0.19 -1.66 0.02 0.00 0.04 0.00 0.00 34.50 33.10 2wmi s PRO 433 CO -0.06 -3.36 -0.02 -1.17 0.04 0.00 0.00 177.00 172.43 2wmi s LEU 434 N -6.67 1.06 -0.27 -3.56 2.96 -0.29 -4.66 118.68 107.24 2wmi s LEU 434 Ca 0.71 -0.08 -0.07 0.00 -0.22 0.00 0.00 54.13 54.47 2wmi s LEU 434 Cb -0.09 -0.38 -0.01 0.00 0.50 0.00 0.00 46.19 46.22 2wmi s LEU 434 CO 0.55 -0.11 0.07 -0.22 -1.32 0.00 0.00 176.35 175.32 2wmi s LEU 435 N 1.26 3.61 0.14 -0.68 2.96 0.13 -1.57 118.68 124.52 2wmi s LEU 435 Ca -0.06 -0.47 -0.27 0.00 -0.22 0.00 0.00 54.13 53.10 2wmi s LEU 435 Cb -0.13 -1.89 -0.07 0.00 0.50 0.00 0.00 46.19 44.60 2wmi s LEU 435 CO -0.02 -0.11 0.85 -0.04 -1.32 0.00 0.00 176.35 175.71 2wmi s MET 436 N 1.55 4.64 -0.47 1.98 -1.94 -0.18 -2.26 119.30 122.62 2wmi s MET 436 Ca 0.05 1.28 0.03 0.00 -1.71 0.00 0.00 55.69 55.33 2wmi s MET 436 Cb -0.16 -3.32 0.12 0.00 2.01 0.00 0.00 34.83 33.49 2wmi s MET 436 CO 0.02 0.41 0.21 1.41 -0.01 0.00 0.00 175.02 177.06 2wmi s MET 437 N -0.63 1.88 0.32 2.03 1.75 -0.18 -4.67 119.30 119.80 2wmi s MET 437 Ca 0.40 -2.36 -0.28 0.00 -1.25 0.00 0.00 55.69 52.20 2wmi s MET 437 Cb -0.23 -3.34 -0.09 0.00 2.84 0.00 0.00 34.83 34.01 2wmi s MET 437 CO 0.28 -1.06 1.10 -1.25 -0.65 0.00 0.00 175.02 173.43 2wmi s PRO 438 N 0.14 4.49 -0.14 4.11 0.04 -1.26 -1.01 135.00 141.37 2wmi s PRO 438 Ca 0.15 1.75 -0.01 0.00 0.04 0.00 0.00 61.00 62.93 2wmi s PRO 438 Cb -0.23 -3.01 0.04 0.00 0.04 0.00 0.00 34.50 31.33 2wmi s PRO 438 CO -0.03 0.09 -0.05 -0.51 0.04 0.00 0.00 177.00 176.54 2wmi s LEU 439 N -1.79 1.30 -0.26 -3.56 1.43 0.02 -4.90 118.68 110.92 2wmi s LEU 439 Ca 0.48 -0.48 -0.10 0.00 -1.03 0.00 0.00 54.13 53.01 2wmi s LEU 439 Cb -0.30 -0.80 -0.04 0.00 0.03 0.00 0.00 46.19 45.08 2wmi s LEU 439 CO 0.38 -0.17 0.14 -0.31 0.23 0.00 0.00 176.35 176.62 2wmi s TYR 440 N 1.72 3.20 0.27 0.29 1.51 -1.26 -0.96 117.35 122.11 2wmi s TYR 440 Ca 0.03 -0.03 -0.31 0.00 -1.01 0.00 0.00 57.07 55.75 2wmi s TYR 440 Cb -0.14 -2.31 -0.12 0.00 -0.11 0.00 0.00 41.96 39.29 2wmi s TYR 440 CO -0.08 -0.17 1.63 0.00 -1.11 0.00 0.00 175.55 175.83 2wmi n ALA 441 N 4.82 2.61 -2.80 3.71 0.00 -0.18 -0.95 120.51 127.72 2wmi n ALA 441 Ca -0.15 0.38 -0.43 0.00 0.00 0.00 0.00 53.44 53.24 2wmi n ALA 441 Cb 0.52 -2.48 -0.04 0.00 0.00 0.00 0.00 19.45 17.45 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 0.69 6.22 0.27 0.00 3.84 -0.10 -3.74 114.94 122.13 2wmi s ASN 442 Ca 0.67 -0.83 0.00 0.00 0.21 0.00 0.00 52.86 52.91 2wmi s ASN 442 Cb -0.50 -2.41 0.39 0.00 -0.55 0.00 0.00 41.25 38.18 2wmi s ASN 442 CO 0.44 -1.31 1.76 1.23 -2.79 0.00 0.00 177.10 176.42 2wmi h GLY 443 N 11.02 0.72 0.91 1.21 0.00 -1.88 -1.84 103.07 113.22 2wmi h GLY 443 Ca -0.28 -0.50 0.01 0.00 0.00 0.00 0.00 47.33 46.56 2wmi h GLY 443 CO 1.13 0.47 0.01 0.83 0.00 0.00 0.00 176.54 178.97 2wmi h GLU 444 N 0.61 0.03 -0.58 4.80 5.08 -1.93 -2.07 114.58 120.53 2wmi h GLU 444 Ca 0.11 -0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.41 2wmi h GLU 444 Cb 0.51 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 2wmi h GLU 444 CO 0.03 0.02 0.13 0.93 -1.00 0.00 0.00 179.01 179.12 2wmi h GLU 445 N 0.03 0.92 -1.00 2.33 5.08 -1.84 -2.82 114.58 117.28 2wmi h GLU 445 Ca 0.03 -0.20 0.07 0.00 -1.00 0.00 0.00 59.36 58.26 2wmi h GLU 445 Cb 0.03 -0.13 -0.07 0.00 0.50 0.00 0.00 28.75 29.08 2wmi h GLU 445 CO -0.05 0.83 0.64 0.35 -1.00 0.00 0.00 179.01 179.78 2wmi h PHE 446 N 0.87 1.19 -0.08 4.33 3.57 -1.02 -1.21 116.94 124.58 2wmi h PHE 446 Ca 0.19 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.73 2wmi h PHE 446 Cb 0.34 -0.39 -0.00 0.00 2.79 0.00 0.00 35.95 38.69 2wmi h PHE 446 CO 0.02 0.60 0.06 -0.91 -2.23 0.00 0.00 178.31 175.85 2wmi h ASN 447 N 1.15 0.06 -0.03 0.41 2.35 -1.12 -1.01 115.58 117.39 2wmi h ASN 447 Ca 0.44 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.19 2wmi h ASN 447 Cb 0.20 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.56 2wmi h ASN 447 CO -0.18 0.04 0.00 0.00 -1.65 0.00 0.00 177.43 175.64 2wmi n GLN 448 N -4.52 1.44 -0.71 0.81 1.13 -0.57 -4.92 117.38 110.04 2wmi n GLN 448 Ca -0.01 -0.64 0.00 0.00 -1.94 0.00 0.00 57.00 54.40 2wmi n GLN 448 Cb 0.12 -1.46 0.00 0.00 0.11 0.00 0.00 30.24 29.00 2wmi n GLN 448 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2wmi n GLY 449 N 1.09 0.58 3.73 1.08 0.00 -0.38 -5.06 105.19 106.22 2wmi n GLY 449 Ca 0.20 -0.65 -0.33 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.23 2.91 -0.44 1.61 -0.14 -0.57 -4.99 119.74 116.90 2wmi s LYS 450 Ca 0.00 -0.56 -0.03 0.00 -1.36 0.00 0.00 55.97 54.02 2wmi s LYS 450 Cb 0.00 -2.75 0.12 0.00 -1.68 0.00 0.00 37.83 33.52 2wmi s LYS 450 CO 0.00 0.63 0.24 0.71 -0.76 0.00 0.00 175.35 176.17 2wmi s TYR 451 N -1.15 3.56 0.14 3.18 2.02 -1.26 -2.56 117.35 121.29 2wmi s TYR 451 Ca 0.21 -2.45 -0.03 0.00 -0.37 0.00 0.00 57.07 54.43 2wmi s TYR 451 Cb -0.12 -3.23 -0.03 0.00 -0.40 0.00 0.00 41.96 38.18 2wmi s TYR 451 CO 0.12 -0.96 0.12 0.95 -1.57 0.00 0.00 175.55 174.21 2wmi s THR 452 N 0.98 0.09 -0.00 -0.71 -4.23 -1.26 -5.07 115.64 105.43 2wmi s THR 452 Ca 0.09 -1.79 0.06 0.00 -1.18 0.00 0.00 61.69 58.87 2wmi s THR 452 Cb -0.23 -2.02 -0.03 0.00 1.34 0.00 0.00 72.50 71.57 2wmi s THR 452 CO -0.04 -0.40 -0.17 -0.36 -0.54 0.00 0.00 174.62 173.11 2wmi s PHE 453 N -4.03 2.60 0.14 3.99 0.08 -1.26 -0.92 117.98 118.58 2wmi s PHE 453 Ca 0.23 -0.23 -0.35 0.00 0.12 0.00 0.00 56.93 56.70 2wmi s PHE 453 Cb 0.06 -1.54 -0.15 0.00 -0.57 0.00 0.00 43.02 40.82 2wmi s PHE 453 CO 0.02 0.19 1.42 0.91 -0.10 0.00 0.00 175.22 177.66 2wmi n TRP 454 N 1.96 1.85 -0.07 0.36 7.02 -0.13 -1.54 117.44 126.90 2wmi n TRP 454 Ca -0.16 0.48 0.00 0.00 -1.02 0.00 0.00 57.50 56.80 2wmi n TRP 454 Cb 0.52 -2.42 0.00 0.00 -2.42 0.00 0.00 31.31 26.99 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 2.77 0.80 2.44 6.99 0.00 -1.26 -4.50 105.19 112.43 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 0.63 3.72 -0.02 0.00 -0.59 -0.55 105.19 106.38 2wmi n GLY 456 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.34 4.13 0.25 1.61 1.01 -1.26 -4.21 116.67 115.87 2wmi s ASP 457 Ca 0.00 2.39 0.11 0.00 0.71 0.00 0.00 52.55 55.76 2wmi s ASP 457 Cb 0.00 -2.59 -0.05 0.00 1.01 0.00 0.00 42.92 41.29 2wmi s ASP 457 CO 0.00 -2.30 -0.16 0.42 0.21 0.00 0.00 175.17 173.33 2wmi s THR 458 N -1.95 2.70 0.09 -1.27 -4.23 -1.26 -4.12 115.64 105.60 2wmi s THR 458 Ca 0.75 -2.19 -0.22 0.00 -1.18 0.00 0.00 61.69 58.84 2wmi s THR 458 Cb -0.30 -2.40 -0.14 0.00 1.34 0.00 0.00 72.50 71.01 2wmi s THR 458 CO 0.46 -0.32 1.71 0.25 -0.54 0.00 0.00 174.62 176.17 2wmi h LEU 459 N 2.41 0.06 -0.21 4.79 6.46 -1.97 -1.14 115.31 125.70 2wmi h LEU 459 Ca -0.42 -0.04 -0.05 0.00 -0.12 0.00 0.00 57.88 57.25 2wmi h LEU 459 Cb 1.24 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 41.15 2wmi h LEU 459 CO 0.58 0.08 -0.05 0.74 -0.62 0.00 0.00 178.44 179.17 2wmi h THR 460 N 0.03 1.28 -0.71 1.05 2.02 -1.97 -2.43 112.91 112.19 2wmi h THR 460 Ca 0.02 -1.04 -0.05 0.00 0.77 0.00 0.00 66.41 66.11 2wmi h THR 460 Cb 0.04 1.53 -0.03 0.00 -1.74 0.00 0.00 68.15 67.95 2wmi h THR 460 CO -0.00 0.32 0.26 1.23 0.37 0.00 0.00 175.52 177.69 2wmi h GLY 461 N 0.13 1.15 0.88 2.16 0.00 -1.98 -1.20 103.07 104.22 2wmi h GLY 461 Ca 0.05 -0.65 -0.00 0.00 0.00 0.00 0.00 47.33 46.73 2wmi h GLY 461 CO 0.02 0.61 0.01 1.70 0.00 0.00 0.00 176.54 178.88 2wmi h LYS 462 N 1.02 0.03 -0.51 4.80 1.63 -1.23 -1.25 116.57 121.05 2wmi h LYS 462 Ca 0.23 -0.00 0.06 0.00 -0.85 0.00 0.00 60.65 60.09 2wmi h LYS 462 Cb 0.25 -0.01 -0.05 0.00 -0.60 0.00 0.00 32.23 31.82 2wmi h LYS 462 CO -0.01 0.15 0.22 2.35 -3.45 0.00 0.00 179.45 178.70 2wmi h TRP 463 N -0.09 0.39 -0.39 1.91 2.91 -1.41 -2.75 115.95 116.52 2wmi h TRP 463 Ca 0.01 0.02 -0.04 0.00 1.13 0.00 0.00 58.89 60.01 2wmi h TRP 463 Cb 0.13 -0.10 -0.02 0.00 -0.51 0.00 0.00 29.16 28.66 2wmi h TRP 463 CO -0.03 0.16 0.07 0.93 -1.03 0.00 0.00 178.44 178.54 2wmi h GLU 464 N 0.42 0.58 0.00 2.65 5.08 -1.03 -2.49 114.58 119.79 2wmi h GLU 464 Ca 0.24 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 2wmi h GLU 464 Cb 0.22 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.37 2wmi h GLU 464 CO -0.21 0.55 0.00 -0.97 -1.00 0.00 0.00 179.01 177.38 2wmi h ASN 465 N 0.56 0.00 -2.80 1.42 -0.00 -1.00 -3.45 115.58 110.32 2wmi h ASN 465 Ca 0.13 0.00 -0.53 0.00 -0.00 0.00 0.00 56.30 55.90 2wmi h ASN 465 Cb 0.25 0.00 0.02 0.00 -0.00 0.00 0.00 38.32 38.59 2wmi h ASN 465 CO -0.00 0.00 0.90 -0.63 -0.00 0.00 0.00 177.43 177.70 2wmi s ILE 466 N -3.47 3.06 0.19 2.57 1.01 -0.94 -4.90 121.20 118.72 2wmi s ILE 466 Ca 0.04 0.62 -0.32 0.00 0.00 0.00 0.00 60.65 60.99 2wmi s ILE 466 Cb 0.08 -3.40 -0.15 0.00 0.01 0.00 0.00 42.46 38.99 2wmi s ILE 466 CO 0.58 0.02 1.21 -2.65 0.00 0.00 0.00 174.94 174.10 2wmi n PRO 467 N 4.90 1.34 -0.34 2.79 -0.02 -1.26 -4.75 135.00 137.65 2wmi n PRO 467 Ca 0.14 0.48 0.18 0.00 -2.02 0.00 0.00 63.50 62.28 2wmi n PRO 467 Cb 0.41 -2.00 0.40 0.00 -0.02 0.00 0.00 33.50 32.28 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 3.53 0.65 0.25 2.55 3.32 -1.91 -0.32 116.42 124.50 2wmi h ASP 468 Ca -0.44 0.12 -0.03 0.00 0.02 0.00 0.00 57.03 56.70 2wmi h ASP 468 Cb 1.33 0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.89 2wmi h ASP 468 CO 0.71 0.14 -0.12 -2.24 -1.72 0.00 0.00 179.24 176.01 2wmi h ASP 469 N 0.58 0.00 0.81 6.45 2.03 -2.03 -2.99 116.42 121.27 2wmi h ASP 469 Ca 0.62 0.00 -0.05 0.00 -0.73 0.00 0.00 57.03 56.87 2wmi h ASP 469 Cb 1.21 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.70 2wmi h ASP 469 CO -0.41 0.12 -1.23 0.18 -1.03 0.00 0.00 179.24 176.87 2wmi n LEU 470 N -3.88 0.76 -0.32 0.15 4.77 -0.18 -4.37 117.00 113.93 2wmi n LEU 470 Ca -0.02 0.31 0.18 0.00 -0.03 0.00 0.00 56.01 56.44 2wmi n LEU 470 Cb 0.22 -0.01 0.43 0.00 -2.33 0.00 0.00 43.42 41.73 2wmi n LEU 470 CO 0.32 -0.07 1.21 0.11 -1.33 0.00 0.00 177.39 177.62 2wmi h LYS 471 N 0.00 0.54 0.00 3.23 1.57 -1.27 0.11 116.57 120.75 2wmi h LYS 471 Ca -0.05 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 2wmi h LYS 471 Cb 1.18 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.37 2wmi h LYS 471 CO 0.01 0.35 0.00 -2.30 -0.57 0.00 0.00 179.45 176.95 2wmi n PRO 472 N -4.68 0.08 -0.01 3.15 -0.02 -1.26 -3.12 135.00 129.14 2wmi n PRO 472 Ca 0.23 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 2wmi n PRO 472 Cb 0.72 -1.68 0.01 0.00 -0.02 0.00 0.00 33.50 32.53 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 -1.83 0.02 -5.28 6.00 4.01 0.32 -5.03 117.16 115.37 2wmi n TYR 473 Ca 0.02 -0.30 -0.31 0.00 -0.16 0.00 0.00 57.90 57.15 2wmi n TYR 473 Cb 0.15 -0.03 -0.16 0.00 -0.31 0.00 0.00 39.34 38.99 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 -0.63 2.03 -0.03 -0.72 -4.23 -0.91 -0.70 115.64 110.45 2wmi s THR 474 Ca 0.02 -1.08 0.03 0.00 -1.18 0.00 0.00 61.69 59.47 2wmi s THR 474 Cb 0.01 -1.69 0.00 0.00 1.34 0.00 0.00 72.50 72.16 2wmi s THR 474 CO 0.01 0.57 -0.11 -0.69 -0.54 0.00 0.00 174.62 173.87 2wmi s VAL 475 N -0.46 0.91 -0.01 2.29 1.01 -0.96 -4.86 120.40 118.32 2wmi s VAL 475 Ca 0.06 -0.43 -0.30 0.00 0.00 0.00 0.00 61.98 61.31 2wmi s VAL 475 Cb -0.11 -0.80 -0.05 0.00 0.00 0.00 0.00 36.38 35.41 2wmi s VAL 475 CO 0.00 0.28 1.39 -0.63 0.00 0.00 0.00 175.10 176.14 2wmi s ILE 476 N 0.19 3.76 -0.38 2.22 -1.09 -0.83 -1.01 121.20 124.05 2wmi s ILE 476 Ca -0.04 1.13 -0.07 0.00 -2.23 0.00 0.00 60.65 59.44 2wmi s ILE 476 Cb -0.09 -3.73 0.06 0.00 -1.58 0.00 0.00 42.46 37.12 2wmi s ILE 476 CO 0.01 -0.00 0.18 -1.58 -1.23 0.00 0.00 174.94 172.32 2wmi s GLN 477 N 2.40 2.56 0.28 2.79 0.74 -0.18 0.60 119.66 128.85 2wmi s GLN 477 Ca 0.63 -1.36 -0.29 0.00 0.05 0.00 0.00 55.36 54.40 2wmi s GLN 477 Cb -0.31 -3.62 -0.09 0.00 1.10 0.00 0.00 33.01 30.09 2wmi s GLN 477 CO 0.26 -0.83 0.98 -0.51 -0.55 0.00 0.00 175.29 174.64 2wmi s LEU 478 N 1.39 4.53 -0.03 3.68 1.43 0.00 -0.80 118.68 128.89 2wmi s LEU 478 Ca 0.01 2.00 0.02 0.00 -1.03 0.00 0.00 54.13 55.13 2wmi s LEU 478 Cb -0.21 -3.74 0.01 0.00 0.03 0.00 0.00 46.19 42.28 2wmi s LEU 478 CO 0.02 0.00 -0.06 -2.28 0.23 0.00 0.00 176.35 174.26 2wmi s HIS 479 N -1.30 0.78 -1.35 0.29 2.46 -0.13 -0.94 115.29 115.09 2wmi s HIS 479 Ca 0.45 -0.20 0.30 0.00 0.47 0.00 0.00 55.06 56.08 2wmi s HIS 479 Cb -0.25 -0.60 1.43 0.00 -0.13 0.00 0.00 32.58 33.02 2wmi s HIS 479 CO 0.32 -0.12 2.01 -0.35 -2.47 0.00 0.00 174.74 174.13 2wmi n PRO 480 N 3.55 0.35 0.00 2.88 -0.04 -1.26 -1.01 135.00 139.46 2wmi n PRO 480 Ca -0.20 -0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.24 2wmi n PRO 480 Cb 0.53 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 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 -1.31 0.00 -1.65 3.54 2.03 -1.26 -0.44 116.55 117.45 2wmi n ASP 481 Ca 0.13 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.30 2wmi n ASP 481 Cb 0.27 0.00 0.19 0.00 -0.72 0.00 0.00 41.12 40.86 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 2.56 3.04 -4.53 1.67 5.75 -1.25 -4.74 116.55 119.06 2wmi n ASP 482 Ca 0.00 -3.71 -0.41 0.00 -0.01 0.00 0.00 54.79 50.66 2wmi n ASP 482 Cb 0.00 -0.73 0.02 0.00 -1.03 0.00 0.00 41.12 39.38 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 1.44 -4.57 -2.12 4.77 0.41 -3.87 117.00 111.92 2wmi n LEU 483 Ca 0.45 0.92 -0.50 0.00 -0.03 0.00 0.00 56.01 56.85 2wmi n LEU 483 Cb 1.33 -1.24 -0.05 0.00 -2.33 0.00 0.00 43.42 41.14 2wmi n LEU 483 CO 0.38 -2.30 0.73 -2.65 -1.33 0.00 0.00 177.39 172.22 2wmi n PRO 484 N 0.16 1.08 -2.61 3.23 -0.02 -1.26 -4.39 135.00 131.19 2wmi n PRO 484 Ca 0.11 0.39 -0.43 0.00 -2.02 0.00 0.00 63.50 61.54 2wmi n PRO 484 Cb 0.41 -1.90 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 2wmi n PRO 484 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2wmi n LYS 485 N 1.89 3.28 -3.72 -0.52 5.02 -1.26 -4.51 118.16 118.34 2wmi n LYS 485 Ca 0.16 -3.47 -0.09 0.00 -2.02 0.00 0.00 58.31 52.89 2wmi n LYS 485 Cb 0.23 -3.22 -0.03 0.00 -0.02 0.00 0.00 35.03 31.99 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 2.57 1.52 0.40 1.97 1.70 -1.26 -4.96 118.95 120.89 2wmi s ARG 486 Ca 0.47 -0.84 -0.27 0.00 -0.47 0.00 0.00 55.73 54.62 2wmi s ARG 486 Cb 0.03 0.57 -0.10 0.00 -0.57 0.00 0.00 34.95 34.88 2wmi s ARG 486 CO 0.02 -0.67 1.42 0.34 -1.08 0.00 0.00 175.30 175.33 2wmi s ASP 487 N -2.87 6.23 0.00 -2.89 2.15 -1.26 -3.23 116.67 114.81 2wmi s ASP 487 Ca 0.09 2.92 0.00 0.00 0.43 0.00 0.00 52.55 55.98 2wmi s ASP 487 Cb -0.03 -2.66 0.00 0.00 -0.30 0.00 0.00 42.92 39.93 2wmi s ASP 487 CO -0.01 -0.93 0.00 0.61 -0.17 0.00 0.00 175.17 174.67 2wmi n GLY 488 N 0.56 3.09 0.22 2.66 0.00 -1.26 -4.91 105.19 105.55 2wmi n GLY 488 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.46 -0.61 4.61 0.00 -1.84 -0.66 119.26 120.30 2wmi h ALA 489 Ca 0.00 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 2wmi h ALA 489 Cb 0.00 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 2wmi h ALA 489 CO 0.00 -0.59 0.24 0.00 0.00 0.00 0.00 179.25 178.90 2wmi h ALA 490 N -0.31 0.79 -0.62 0.00 0.00 -1.80 -2.00 119.26 115.31 2wmi h ALA 490 Ca -0.05 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 54.75 2wmi h ALA 490 Cb 0.52 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 2wmi h ALA 490 CO 0.08 0.40 0.34 0.00 0.00 0.00 0.00 179.25 180.07 2wmi h ARG 491 N 0.84 0.61 0.15 0.00 3.08 -1.83 0.01 114.38 117.24 2wmi h ARG 491 Ca 0.20 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.21 2wmi h ARG 491 Cb 0.21 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.12 2wmi h ARG 491 CO -0.02 0.40 -0.07 0.22 -1.07 0.00 0.00 179.97 179.43 2wmi h ASP 492 N 0.63 -0.17 -0.17 7.04 1.82 -0.85 -0.95 116.42 123.76 2wmi h ASP 492 Ca 0.28 -0.12 -0.01 0.00 -0.39 0.00 0.00 57.03 56.79 2wmi h ASP 492 Cb 0.18 0.04 -0.01 0.00 0.68 0.00 0.00 39.33 40.23 2wmi h ASP 492 CO -0.18 0.02 0.08 0.15 -1.61 0.00 0.00 179.24 177.70 2wmi h PHE 493 N -0.36 0.25 -0.33 0.28 3.57 -1.31 -1.96 116.94 117.08 2wmi h PHE 493 Ca -0.02 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.47 2wmi h PHE 493 Cb 0.29 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 2wmi h PHE 493 CO -0.02 0.27 0.22 1.88 -2.23 0.00 0.00 178.31 178.43 2wmi h TYR 494 N 0.16 0.42 -0.95 0.41 0.05 -0.98 -2.24 116.97 113.83 2wmi h TYR 494 Ca 0.06 0.01 0.02 0.00 0.05 0.00 0.00 58.73 58.87 2wmi h TYR 494 Cb 0.12 -0.14 -0.05 0.00 1.01 0.00 0.00 36.73 37.66 2wmi h TYR 494 CO -0.03 0.27 0.63 0.93 -1.05 0.00 0.00 178.16 178.91 2wmi h GLU 495 N 0.44 1.22 -0.08 4.88 5.08 -1.11 0.58 114.58 125.59 2wmi h GLU 495 Ca 0.12 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.43 2wmi h GLU 495 Cb -0.04 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 28.91 2wmi h GLU 495 CO -0.03 0.81 -0.05 1.25 -1.00 0.00 0.00 179.01 179.99 2wmi h HIS 496 N 1.25 -0.11 -0.26 4.33 2.76 -1.16 -1.11 115.15 120.85 2wmi h HIS 496 Ca 0.36 0.01 -0.13 0.00 -2.20 0.00 0.00 60.37 58.41 2wmi h HIS 496 Cb -0.09 0.06 -0.01 0.00 1.55 0.00 0.00 27.41 28.92 2wmi h HIS 496 CO -0.01 -0.08 -0.38 0.52 -1.30 0.00 0.00 177.93 176.69 2wmi h MET 497 N -0.05 0.60 -0.46 5.26 2.86 -1.19 -2.33 114.93 119.61 2wmi h MET 497 Ca 0.05 -0.30 -0.07 0.00 -2.06 0.00 0.00 59.70 57.32 2wmi h MET 497 Cb 0.12 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.76 2wmi h MET 497 CO -0.11 0.88 -0.01 -0.07 1.06 0.00 0.00 176.91 178.66 2wmi h LEU 498 N 0.50 0.74 -0.22 1.22 3.38 -0.70 -0.10 115.31 120.13 2wmi h LEU 498 Ca 0.05 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 2wmi h LEU 498 Cb 0.88 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 2wmi h LEU 498 CO 0.08 0.82 0.10 -0.33 0.09 0.00 0.00 178.44 179.20 2wmi h GLU 499 N 0.72 0.33 -0.29 1.13 4.39 -1.07 -0.37 114.58 119.42 2wmi h GLU 499 Ca 0.14 -0.05 0.05 0.00 0.34 0.00 0.00 59.36 59.84 2wmi h GLU 499 Cb 0.46 -0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 29.00 2wmi h GLU 499 CO 0.02 0.35 -0.02 1.49 -1.16 0.00 0.00 179.01 179.69 2wmi h GLU 500 N 0.23 0.06 -0.61 2.33 4.81 -1.17 -1.55 114.58 118.68 2wmi h GLU 500 Ca 0.08 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.28 2wmi h GLU 500 Cb 0.13 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 2wmi h GLU 500 CO -0.01 0.04 0.28 0.00 -0.73 0.00 0.00 179.01 178.59 2wmi h ALA 501 N 1.26 0.79 -0.45 2.92 0.00 -0.90 -2.76 119.26 120.11 2wmi h ALA 501 Ca 0.14 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 2wmi h ALA 501 Cb 0.19 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2wmi h ALA 501 CO -0.25 0.36 -0.06 0.00 0.00 0.00 0.00 179.25 179.29 2wmi h ALA 502 N 1.12 1.04 -0.63 0.00 0.00 -0.83 0.67 119.26 120.63 2wmi h ALA 502 Ca 0.21 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2wmi h ALA 502 Cb 0.13 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2wmi h ALA 502 CO -0.02 0.59 0.00 0.36 0.00 0.00 0.00 179.25 180.17 2wmi n LYS 503 N -4.18 3.83 -1.72 0.00 2.85 -0.60 -4.28 118.16 114.06 2wmi n LYS 503 Ca 0.02 -2.91 -0.43 0.00 -1.05 0.00 0.00 58.31 53.94 2wmi n LYS 503 Cb 0.34 -1.92 -0.02 0.00 -0.65 0.00 0.00 35.03 32.78 2wmi n LYS 503 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 177.40 178.33 2wmi n TYR 504 N 1.04 2.61 -4.09 5.58 9.36 -1.05 -4.90 117.16 125.70 2wmi n TYR 504 Ca 0.26 0.33 -0.34 0.00 3.32 0.00 0.00 57.90 61.47 2wmi n TYR 504 Cb 0.92 -2.54 -0.15 0.00 -0.63 0.00 0.00 39.34 36.94 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 -0.10 2.98 -0.20 2.97 1.01 -1.26 -1.25 120.40 124.56 2wmi s VAL 505 Ca 0.65 -0.63 -0.29 0.00 0.00 0.00 0.00 61.98 61.70 2wmi s VAL 505 Cb -0.55 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.48 2wmi s VAL 505 CO 0.50 0.47 1.57 0.21 0.00 0.00 0.00 175.10 177.85 2wmi s ASN 506 N 1.26 6.48 -0.52 3.32 3.84 -0.35 -4.93 114.94 124.05 2wmi s ASN 506 Ca 0.03 1.67 0.07 0.00 0.21 0.00 0.00 52.86 54.84 2wmi s ASN 506 Cb -0.14 -2.53 0.32 0.00 -0.55 0.00 0.00 41.25 38.35 2wmi s ASN 506 CO -0.04 -1.17 0.83 -0.81 -2.79 0.00 0.00 177.10 173.12 2wmi n PRO 507 N 7.49 2.37 0.00 0.43 -0.04 -1.26 0.24 135.00 144.23 2wmi n PRO 507 Ca 0.18 -4.34 0.00 0.00 -0.04 0.00 0.00 63.50 59.30 2wmi n PRO 507 Cb 0.45 -2.03 0.00 0.00 -0.04 0.00 0.00 33.50 31.88 2wmi n PRO 507 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2wmi n LYS 508 N 0.18 0.00 -0.45 0.54 -0.00 -1.26 -4.91 118.16 112.25 2wmi n LYS 508 Ca 0.29 0.00 0.41 0.00 -0.00 0.00 0.00 58.31 59.01 2wmi n LYS 508 Cb 0.47 0.00 0.68 0.00 -0.00 0.00 0.00 35.03 36.18 2wmi n LYS 508 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.40 179.19 2wmi h THR 509 N 0.00 0.07 0.00 0.58 1.35 -1.93 -3.43 112.91 109.55 2wmi h THR 509 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 2wmi h THR 509 Cb 0.00 0.09 0.00 0.00 -1.73 0.00 0.00 68.15 66.51 2wmi h THR 509 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 2wmi n GLY 510 N -1.81 1.09 3.80 5.82 0.00 0.67 -5.02 105.19 109.74 2wmi n GLY 510 Ca 0.33 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.13 4.30 -0.23 1.61 1.02 -1.21 -4.79 119.74 120.30 2wmi s LYS 511 Ca 0.00 0.87 -0.29 0.00 0.02 0.00 0.00 55.97 56.57 2wmi s LYS 511 Cb 0.00 -3.14 -0.04 0.00 -0.52 0.00 0.00 37.83 34.13 2wmi s LYS 511 CO 0.00 0.56 1.87 1.21 -0.92 0.00 0.00 175.35 178.07 2wmi s ASN 512 N -1.29 5.97 -0.47 2.83 2.47 -1.26 -1.21 114.94 121.99 2wmi s ASN 512 Ca 0.35 1.68 0.03 0.00 0.42 0.00 0.00 52.86 55.34 2wmi s ASN 512 Cb -0.20 -2.52 0.13 0.00 -1.45 0.00 0.00 41.25 37.21 2wmi s ASN 512 CO 0.22 -1.58 0.23 -1.61 -3.72 0.00 0.00 177.10 170.63 2wmi s GLU 513 N 5.45 1.64 0.14 0.43 2.02 -0.38 -4.95 118.70 123.05 2wmi s GLU 513 Ca 0.84 -2.28 -0.35 0.00 0.02 0.00 0.00 54.97 53.20 2wmi s GLU 513 Cb -0.28 -2.91 -0.15 0.00 0.10 0.00 0.00 34.13 30.89 2wmi s GLU 513 CO 0.34 -1.11 1.47 -2.30 0.02 0.00 0.00 175.26 173.68 2wmi n PRO 514 N 3.43 1.75 -2.51 0.39 -0.02 -1.26 -4.62 135.00 132.16 2wmi n PRO 514 Ca 0.06 0.63 -0.42 0.00 -2.02 0.00 0.00 63.50 61.75 2wmi n PRO 514 Cb 0.34 -2.34 -0.03 0.00 -0.02 0.00 0.00 33.50 31.46 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 0.66 4.33 0.22 4.25 1.01 0.22 -4.98 121.20 126.92 2wmi s ILE 515 Ca 0.80 1.67 -0.30 0.00 0.00 0.00 0.00 60.65 62.82 2wmi s ILE 515 Cb -0.78 -4.07 -0.09 0.00 0.01 0.00 0.00 42.46 37.53 2wmi s ILE 515 CO 0.42 0.07 1.31 -2.16 0.00 0.00 0.00 174.94 174.58 2wmi s PRO 516 N 1.53 4.39 0.04 2.79 0.04 -1.26 -4.70 135.00 137.83 2wmi s PRO 516 Ca 0.56 2.08 0.04 0.00 0.04 0.00 0.00 61.00 63.72 2wmi s PRO 516 Cb -0.25 -3.17 -0.02 0.00 0.04 0.00 0.00 34.50 31.10 2wmi s PRO 516 CO 0.25 -0.23 -0.12 0.08 0.04 0.00 0.00 177.00 177.02 2wmi s VAL 517 N -0.13 0.97 -0.04 -0.36 1.01 0.01 -1.97 120.40 119.90 2wmi s VAL 517 Ca 0.55 -0.95 0.06 0.00 0.00 0.00 0.00 61.98 61.64 2wmi s VAL 517 Cb -0.37 -0.89 -0.01 0.00 0.00 0.00 0.00 36.38 35.10 2wmi s VAL 517 CO 0.41 -0.05 -0.23 -0.63 0.00 0.00 0.00 175.10 174.60 2wmi s ILE 518 N -0.88 1.86 -0.14 2.22 1.01 0.20 -1.28 121.20 124.19 2wmi s ILE 518 Ca -0.00 -0.97 -0.06 0.00 0.00 0.00 0.00 60.65 59.61 2wmi s ILE 518 Cb -0.08 -1.56 -0.04 0.00 0.01 0.00 0.00 42.46 40.79 2wmi s ILE 518 CO 0.01 0.52 0.09 -0.76 0.00 0.00 0.00 174.94 174.80 2wmi s LEU 519 N -0.27 4.03 -0.32 2.97 1.43 -1.00 -0.82 118.68 124.70 2wmi s LEU 519 Ca 0.01 0.26 -0.29 0.00 -1.03 0.00 0.00 54.13 53.08 2wmi s LEU 519 Cb -0.12 -1.99 0.02 0.00 0.03 0.00 0.00 46.19 44.13 2wmi s LEU 519 CO 0.02 0.31 1.11 -0.89 0.23 0.00 0.00 176.35 177.12 2wmi s THR 520 N -0.41 4.45 -0.10 5.49 2.01 -0.12 -0.51 115.64 126.45 2wmi s THR 520 Ca 0.10 1.66 0.03 0.00 0.31 0.00 0.00 61.69 63.79 2wmi s THR 520 Cb -0.12 -4.39 -0.04 0.00 0.01 0.00 0.00 72.50 67.96 2wmi s THR 520 CO 0.02 -0.50 0.11 1.33 -0.69 0.00 0.00 174.62 174.88 2wmi n VAL 521 N 5.95 0.00 -3.71 3.82 0.24 0.33 -4.71 118.33 120.25 2wmi n VAL 521 Ca 0.12 -0.32 -0.12 0.00 -2.04 0.00 0.00 64.34 61.98 2wmi n VAL 521 Cb 0.47 0.82 -0.13 0.00 -1.47 0.00 0.00 33.84 33.54 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 -1.57 -0.40 -0.04 6.34 5.04 -1.18 -4.75 117.35 120.79 2wmi s TYR 522 Ca 0.00 0.92 -0.29 0.00 -2.44 0.00 0.00 57.07 55.26 2wmi s TYR 522 Cb 0.02 0.08 0.09 0.00 0.35 0.00 0.00 41.96 42.50 2wmi s TYR 522 CO 0.12 -0.28 0.80 -0.08 -1.34 0.00 0.00 175.55 174.77 2wmi s THR 523 N 1.50 0.00 -1.61 4.34 -1.32 -1.26 -1.54 115.64 115.74 2wmi s THR 523 Ca -0.08 0.00 -0.09 0.00 -1.21 0.00 0.00 61.69 60.32 2wmi s THR 523 Cb -0.10 -1.00 0.08 0.00 -1.51 0.00 0.00 72.50 69.97 2wmi s THR 523 CO -0.09 0.00 0.41 0.00 -2.21 0.00 0.00 174.62 172.73 2wmi n ALA 524 N 0.39 -1.68 -1.31 11.08 0.00 -0.79 -0.51 120.51 127.70 2wmi n ALA 524 Ca -0.14 -0.24 -0.11 0.00 0.00 0.00 0.00 53.44 52.95 2wmi n ALA 524 Cb 0.60 -1.94 -0.05 0.00 0.00 0.00 0.00 19.45 18.06 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 -1.86 1.03 3.76 0.00 0.00 -1.25 -2.74 105.19 104.14 2wmi n GLY 525 Ca -0.14 -0.04 -0.28 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.05 -2.47 -4.74 1.61 5.03 0.33 -4.76 115.26 109.20 2wmi n ASN 526 Ca -0.11 -0.63 -0.41 0.00 0.87 0.00 0.00 54.58 54.30 2wmi n ASN 526 Cb 0.56 -2.10 -0.03 0.00 -1.02 0.00 0.00 39.78 37.19 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 -6.41 4.37 0.31 3.52 -1.94 -1.11 -4.43 119.30 113.61 2wmi s MET 527 Ca 0.54 2.11 0.24 0.00 -1.71 0.00 0.00 55.69 56.87 2wmi s MET 527 Cb -0.30 -3.17 1.12 0.00 2.01 0.00 0.00 34.83 34.49 2wmi s MET 527 CO 0.66 -0.27 1.72 -1.00 -0.01 0.00 0.00 175.02 176.13 2wmi h PRO 528 N 5.08 0.00 -0.01 2.03 0.13 -1.92 -0.22 132.00 137.10 2wmi h PRO 528 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2wmi h PRO 528 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2wmi h PRO 528 CO 0.76 0.00 -0.10 2.48 -0.23 0.00 0.00 178.00 180.91 2wmi n TYR 529 N -2.31 0.00 -0.02 1.56 0.18 -1.26 -4.41 117.16 110.90 2wmi n TYR 529 Ca 0.00 0.00 -0.02 0.00 1.88 0.00 0.00 57.90 59.76 2wmi n TYR 529 Cb 0.15 -0.06 -0.03 0.00 -0.38 0.00 0.00 39.34 39.02 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 -0.23 0.00 -3.69 -3.48 4.01 -0.15 -5.10 117.16 108.51 2wmi n TYR 530 Ca 0.16 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.77 2wmi n TYR 530 Cb 0.34 -0.22 -0.09 0.00 -0.31 0.00 0.00 39.34 39.06 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 -2.11 0.00 -0.39 -0.72 -1.32 -0.84 -4.99 115.64 105.28 2wmi s THR 531 Ca -0.03 -0.00 0.19 0.00 -1.21 0.00 0.00 61.69 60.64 2wmi s THR 531 Cb 0.01 -0.74 0.20 0.00 -1.51 0.00 0.00 72.50 70.46 2wmi s THR 531 CO 0.18 -0.00 1.59 -1.54 -2.21 0.00 0.00 174.62 172.64 2wmi n SER 532 N 2.77 0.51 0.24 8.08 3.41 -1.26 -2.75 113.62 124.61 2wmi n SER 532 Ca -0.14 0.70 0.16 0.00 -0.26 0.00 0.00 58.87 59.33 2wmi n SER 532 Cb 0.56 -0.78 0.61 0.00 -0.26 0.00 0.00 64.21 64.35 2wmi n SER 532 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wmi h ALA 533 N 2.08 1.00 -1.02 7.33 0.00 -1.93 -2.77 119.26 123.95 2wmi h ALA 533 Ca 0.00 0.00 0.35 0.00 0.00 0.00 0.00 54.91 55.26 2wmi h ALA 533 Cb 0.10 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 17.74 2wmi h ALA 533 CO 0.00 0.00 0.58 1.25 0.00 0.00 0.00 179.25 181.08 2wmi h HIS 534 N 0.00 0.89 -0.97 0.00 6.17 -1.73 -2.34 115.15 117.17 2wmi h HIS 534 Ca 0.00 0.04 -0.62 0.00 0.71 0.00 0.00 60.37 60.49 2wmi h HIS 534 Cb 0.50 -0.23 -0.29 0.00 2.52 0.00 0.00 27.41 29.91 2wmi h HIS 534 CO 0.00 -0.23 0.81 0.91 0.71 0.00 0.00 177.93 180.13 2wmi n TRP 535 N -5.06 3.12 -3.86 5.26 8.01 -1.05 -4.73 117.44 119.13 2wmi n TRP 535 Ca 0.33 -2.71 -0.35 0.00 -1.31 0.00 0.00 57.50 53.47 2wmi n TRP 535 Cb 1.06 -1.31 -0.13 0.00 -2.01 0.00 0.00 31.31 28.92 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 -3.60 4.94 0.65 -0.99 1.43 -0.88 -4.59 118.68 115.63 2wmi s LEU 536 Ca 0.61 -1.96 -0.13 0.00 -1.03 0.00 0.00 54.13 51.63 2wmi s LEU 536 Cb 0.49 -1.76 -0.01 0.00 0.03 0.00 0.00 46.19 44.93 2wmi s LEU 536 CO 0.02 -0.46 1.06 -0.94 0.23 0.00 0.00 176.35 176.25 2wmi s SER 537 N 1.52 5.55 0.35 2.29 1.04 -1.26 -4.92 113.70 118.27 2wmi s SER 537 Ca 0.07 1.72 0.04 0.00 0.48 0.00 0.00 55.95 58.25 2wmi s SER 537 Cb -0.21 -2.51 0.64 0.00 0.10 0.00 0.00 66.02 64.03 2wmi s SER 537 CO -0.05 -1.33 1.93 0.74 0.98 0.00 0.00 173.24 175.52 2wmi h THR 538 N -0.18 1.18 -0.30 2.02 2.02 -1.99 -1.48 112.91 114.18 2wmi h THR 538 Ca -0.45 -0.58 0.02 0.00 0.77 0.00 0.00 66.41 66.17 2wmi h THR 538 Cb 1.21 0.70 -0.03 0.00 -1.74 0.00 0.00 68.15 68.30 2wmi h THR 538 CO 0.57 0.22 0.13 -1.28 0.37 0.00 0.00 175.52 175.53 2wmi h SER 539 N 0.61 0.19 -0.55 4.18 0.87 -2.00 -0.29 113.55 116.56 2wmi h SER 539 Ca 0.15 0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.71 2wmi h SER 539 Cb 0.17 -0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.09 2wmi h SER 539 CO -0.01 0.14 0.28 -0.25 -0.53 0.00 0.00 176.83 176.46 2wmi h TRP 540 N 0.29 0.78 -0.49 2.24 7.01 -1.85 -2.26 115.95 121.66 2wmi h TRP 540 Ca 0.13 -0.03 0.06 0.00 2.11 0.00 0.00 58.89 61.15 2wmi h TRP 540 Cb 0.06 -0.25 -0.05 0.00 -2.10 0.00 0.00 29.16 26.82 2wmi h TRP 540 CO -0.11 0.59 0.20 0.82 -2.79 0.00 0.00 178.44 177.16 2wmi h ILE 541 N 0.74 0.88 -0.73 2.65 2.04 -0.98 -0.91 117.51 121.20 2wmi h ILE 541 Ca 0.19 -0.14 0.04 0.00 1.00 0.00 0.00 64.86 65.95 2wmi h ILE 541 Cb 0.09 0.45 -0.05 0.00 -0.74 0.00 0.00 36.82 36.57 2wmi h ILE 541 CO -0.03 0.07 0.45 -0.78 0.00 0.00 0.00 178.15 177.86 2wmi h ASP 542 N 0.40 0.72 -0.74 1.72 3.58 -0.87 -1.39 116.42 119.84 2wmi h ASP 542 Ca 0.23 0.01 -0.06 0.00 0.42 0.00 0.00 57.03 57.62 2wmi h ASP 542 Cb 0.21 -0.15 -0.03 0.00 1.72 0.00 0.00 39.33 41.08 2wmi h ASP 542 CO -0.21 0.49 0.23 0.50 -2.88 0.00 0.00 179.24 177.37 2wmi h LYS 543 N 0.86 1.16 -0.23 0.28 3.64 -0.87 -1.63 116.57 119.78 2wmi h LYS 543 Ca 0.30 -0.25 -0.02 0.00 -1.27 0.00 0.00 60.65 59.41 2wmi h LYS 543 Cb 0.06 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 2wmi h LYS 543 CO -0.13 0.99 0.06 0.52 -2.27 0.00 0.00 179.45 178.62 2wmi h MET 544 N 1.10 0.36 -0.53 1.90 2.86 -0.73 -0.67 114.93 119.23 2wmi h MET 544 Ca 0.24 -0.09 0.04 0.00 -2.06 0.00 0.00 59.70 57.84 2wmi h MET 544 Cb 0.31 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.88 2wmi h MET 544 CO -0.01 0.47 0.28 1.88 1.06 0.00 0.00 176.91 180.59 2wmi h TYR 545 N 0.19 0.51 -0.53 -0.22 0.99 -1.04 -0.02 116.97 116.85 2wmi h TYR 545 Ca 0.07 0.02 -0.03 0.00 2.00 0.00 0.00 58.73 60.79 2wmi h TYR 545 Cb 0.27 -0.15 -0.03 0.00 1.00 0.00 0.00 36.73 37.82 2wmi h TYR 545 CO 0.01 0.25 0.21 1.96 -0.00 0.00 0.00 178.16 180.59 2wmi h GLN 546 N 0.53 0.76 0.04 4.88 4.20 -1.19 -3.16 115.11 121.18 2wmi h GLN 546 Ca 0.23 -0.11 -0.23 0.00 0.06 0.00 0.00 58.65 58.60 2wmi h GLN 546 Cb 0.13 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.75 2wmi h GLN 546 CO -0.15 0.63 -1.07 -0.22 -0.67 0.00 0.00 178.83 177.35 2wmi h LYS 547 N 0.75 0.10 -3.84 1.46 3.64 -0.60 -3.44 116.57 114.65 2wmi h LYS 547 Ca 0.18 -0.17 -0.63 0.00 -1.27 0.00 0.00 60.65 58.76 2wmi h LYS 547 Cb 0.16 0.06 -0.40 0.00 -0.41 0.00 0.00 32.23 31.63 2wmi h LYS 547 CO -0.02 1.07 -0.71 0.71 -2.27 0.00 0.00 179.45 178.23 2wmi s TYR 548 N -2.74 2.86 0.60 1.91 2.02 -0.07 -4.96 117.35 116.97 2wmi s TYR 548 Ca -0.01 -2.66 0.31 0.00 -0.37 0.00 0.00 57.07 54.34 2wmi s TYR 548 Cb 0.09 -2.45 1.86 0.00 -0.40 0.00 0.00 41.96 41.06 2wmi s TYR 548 CO 0.84 -0.86 2.26 -1.35 -1.57 0.00 0.00 175.55 174.87 2wmi h PRO 549 N 7.31 0.00 0.00 -1.71 0.11 -1.86 -1.04 132.00 134.81 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 0.97 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.08 2wmi h PRO 549 CO 0.54 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.60 2wmi n ASN 550 N -3.79 0.00 -4.57 -2.05 6.94 -1.26 -4.58 115.26 105.95 2wmi n ASN 550 Ca -0.03 -0.13 -0.42 0.00 -0.02 0.00 0.00 54.58 53.99 2wmi n ASN 550 Cb 0.10 -0.26 -0.03 0.00 -2.36 0.00 0.00 39.78 37.23 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 -2.52 3.41 0.04 -4.53 2.96 -0.40 -0.81 118.68 116.83 2wmi s LEU 551 Ca 0.25 -0.05 0.22 0.00 -0.22 0.00 0.00 54.13 54.33 2wmi s LEU 551 Cb 0.17 -3.00 -0.09 0.00 0.50 0.00 0.00 46.19 43.77 2wmi s LEU 551 CO 0.37 -1.56 0.88 1.41 -1.32 0.00 0.00 176.35 176.13 2wmi n HIS 552 N 8.63 0.23 -3.80 5.38 8.25 -0.40 -4.85 115.22 128.65 2wmi n HIS 552 Ca 0.07 0.07 0.04 0.00 -0.26 0.00 0.00 57.72 57.63 2wmi n HIS 552 Cb 0.49 -0.43 0.00 0.00 1.12 0.00 0.00 29.99 31.17 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 -3.83 -0.33 0.09 -1.41 0.00 -1.24 -1.24 107.32 99.37 2wmi s GLY 553 Ca 0.01 0.49 0.04 0.00 0.00 0.00 0.00 44.72 45.26 2wmi s GLY 553 CO 0.84 3.29 -0.11 -0.26 0.00 0.00 0.00 173.10 176.85 2wmi s ILE 554 N -2.08 0.95 -0.07 0.90 -4.36 -0.32 -2.37 121.20 113.85 2wmi s ILE 554 Ca 0.23 -1.50 0.01 0.00 -0.26 0.00 0.00 60.65 59.13 2wmi s ILE 554 Cb 0.03 -1.21 0.02 0.00 1.25 0.00 0.00 42.46 42.55 2wmi s ILE 554 CO -0.04 -0.45 -0.08 0.12 0.24 0.00 0.00 174.94 174.73 2wmi s PHE 555 N -2.03 1.17 -0.11 1.37 5.36 0.33 -0.60 117.98 123.47 2wmi s PHE 555 Ca 0.02 -0.44 -0.02 0.00 -0.96 0.00 0.00 56.93 55.53 2wmi s PHE 555 Cb -0.05 -0.95 -0.03 0.00 -0.34 0.00 0.00 43.02 41.65 2wmi s PHE 555 CO 0.01 -0.30 -0.04 0.45 -1.46 0.00 0.00 175.22 173.88 2wmi s SER 556 N 1.06 4.83 -0.10 6.13 0.15 0.51 -0.51 113.70 125.76 2wmi s SER 556 Ca -0.08 -0.04 -0.05 0.00 0.70 0.00 0.00 55.95 56.49 2wmi s SER 556 Cb -0.14 -1.50 0.05 0.00 -1.71 0.00 0.00 66.02 62.71 2wmi s SER 556 CO -0.01 0.28 0.23 0.28 1.20 0.00 0.00 173.24 175.22 2wmi s THR 557 N -0.30 -0.11 -0.40 6.45 -1.32 -0.59 -0.58 115.64 118.79 2wmi s THR 557 Ca 0.05 0.19 -0.11 0.00 -1.21 0.00 0.00 61.69 60.61 2wmi s THR 557 Cb -0.12 -0.36 0.01 0.00 -1.51 0.00 0.00 72.50 70.52 2wmi s THR 557 CO 0.02 0.08 0.51 1.21 -2.21 0.00 0.00 174.62 174.23 2wmi n GLU 558 N 4.45 -1.82 0.00 7.08 2.13 -0.84 -3.86 120.64 127.78 2wmi n GLU 558 Ca -0.22 1.75 0.00 0.00 0.66 0.00 0.00 57.16 59.36 2wmi n GLU 558 Cb 0.52 -4.98 0.00 0.00 0.27 0.00 0.00 31.44 27.25 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 -0.58 0.71 -0.01 4.31 3.02 -1.26 -1.88 115.26 119.56 2wmi n ASN 559 Ca 0.08 -0.92 0.13 0.00 -0.03 0.00 0.00 54.58 53.84 2wmi n ASN 559 Cb 0.40 0.11 0.55 0.00 -0.61 0.00 0.00 39.78 40.24 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 0.29 -0.01 3.10 -0.00 -1.90 -0.80 116.97 117.65 2wmi h TYR 560 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 58.73 58.74 2wmi h TYR 560 Cb 0.08 -0.09 0.00 0.00 0.00 0.00 0.00 36.73 36.71 2wmi h TYR 560 CO 0.00 0.14 -0.15 -2.67 -0.00 0.00 0.00 178.16 175.48 2wmi n TRP 561 N -4.46 0.00 -2.99 0.10 4.27 -1.26 -4.34 117.44 108.76 2wmi n TRP 561 Ca 0.08 0.00 -0.16 0.00 -3.89 0.00 0.00 57.50 53.52 2wmi n TRP 561 Cb 0.36 -0.08 -0.01 0.00 -1.36 0.00 0.00 31.31 30.22 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 -0.37 -0.38 -2.65 -1.67 0.13 -0.32 -5.07 119.36 109.02 2wmi n ILE 562 Ca 0.15 -2.77 -0.43 0.00 -1.10 0.00 0.00 62.75 58.60 2wmi n ILE 562 Cb 0.34 -0.30 -0.01 0.00 -0.84 0.00 0.00 39.64 38.83 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 -0.23 2.85 0.62 9.51 -0.11 -1.11 -3.74 118.94 126.72 2wmi s TRP 563 Ca 0.33 -1.50 -0.18 0.00 1.22 0.00 0.00 56.10 55.97 2wmi s TRP 563 Cb 0.19 -4.65 -0.05 0.00 -1.50 0.00 0.00 33.47 27.46 2wmi s TRP 563 CO -0.17 -1.76 0.86 0.00 -4.62 0.00 0.00 176.95 171.26 2wmi n ALA 564 N 7.99 -0.18 0.02 5.86 0.00 -1.26 -4.89 120.51 128.04 2wmi n ALA 564 Ca 0.42 -0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.94 2wmi n ALA 564 Cb 0.47 -2.05 0.57 0.00 0.00 0.00 0.00 19.45 18.44 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 0.28 0.21 -0.26 0.00 2.35 -1.94 -1.99 115.58 114.24 2wmi h ASN 565 Ca -0.48 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.22 2wmi h ASN 565 Cb 1.37 -0.04 -0.03 0.00 0.05 0.00 0.00 38.32 39.67 2wmi h ASN 565 CO 0.49 0.13 -0.02 -0.90 -1.65 0.00 0.00 177.43 175.49 2wmi n ASP 566 N -4.46 3.33 -0.24 5.81 5.75 -1.26 -4.75 116.55 120.73 2wmi n ASP 566 Ca 0.06 -3.23 -0.00 0.00 -0.01 0.00 0.00 54.79 51.61 2wmi n ASP 566 Cb 0.33 -0.56 0.12 0.00 -1.03 0.00 0.00 41.12 39.98 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 1.37 0.92 -0.42 2.12 2.10 -1.71 -1.16 117.51 120.73 2wmi h ILE 567 Ca 0.06 -0.22 -0.12 0.00 1.08 0.00 0.00 64.86 65.66 2wmi h ILE 567 Cb 1.46 0.20 -0.01 0.00 -1.09 0.00 0.00 36.82 37.38 2wmi h ILE 567 CO 0.25 0.12 -0.19 -0.33 -1.08 0.00 0.00 178.15 176.92 2wmi h GLU 568 N 0.66 0.87 -0.52 2.19 3.07 -1.85 -0.41 114.58 118.59 2wmi h GLU 568 Ca 0.32 -0.37 0.03 0.00 -0.50 0.00 0.00 59.36 58.84 2wmi h GLU 568 Cb 0.27 -0.03 -0.04 0.00 -0.84 0.00 0.00 28.75 28.11 2wmi h GLU 568 CO -0.22 1.02 0.29 -0.91 -1.40 0.00 0.00 179.01 177.79 2wmi h ASN 569 N 0.69 0.45 -0.57 1.42 2.35 -1.85 -0.65 115.58 117.42 2wmi h ASN 569 Ca 0.10 0.02 -0.07 0.00 -0.55 0.00 0.00 56.30 55.79 2wmi h ASN 569 Cb 0.75 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 39.02 2wmi h ASN 569 CO 0.06 0.31 0.09 0.11 -1.65 0.00 0.00 177.43 176.35 2wmi h LYS 570 N 0.57 0.98 -0.51 0.81 1.79 -1.03 -2.32 116.57 116.86 2wmi h LYS 570 Ca 0.22 -0.25 -0.09 0.00 -2.18 0.00 0.00 60.65 58.35 2wmi h LYS 570 Cb 0.08 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 30.59 2wmi h LYS 570 CO -0.12 0.91 -0.02 0.00 -1.08 0.00 0.00 179.45 179.13 2wmi h ALA 571 N 1.17 0.69 -0.62 3.86 0.00 -0.67 -0.13 119.26 123.57 2wmi h ALA 571 Ca 0.19 -0.30 0.06 0.00 0.00 0.00 0.00 54.91 54.85 2wmi h ALA 571 Cb 0.41 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 2wmi h ALA 571 CO 0.01 0.52 0.33 0.00 0.00 0.00 0.00 179.25 180.12 2wmi h ALA 572 N 0.93 0.82 -0.76 0.00 0.00 -0.96 -0.91 119.26 118.38 2wmi h ALA 572 Ca 0.14 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 2wmi h ALA 572 Cb 0.55 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 2wmi h ALA 572 CO 0.03 -0.01 0.34 -0.44 0.00 0.00 0.00 179.25 179.18 2wmi h ASP 573 N 0.62 1.02 -0.72 0.00 3.32 -0.89 -0.96 116.42 118.81 2wmi h ASP 573 Ca 0.28 -0.15 -0.06 0.00 0.02 0.00 0.00 57.03 57.11 2wmi h ASP 573 Cb 0.18 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.44 2wmi h ASP 573 CO -0.18 0.88 0.20 1.88 -1.72 0.00 0.00 179.24 180.30 2wmi h TYR 574 N 1.08 1.18 -0.34 4.55 0.05 -0.74 -1.33 116.97 121.42 2wmi h TYR 574 Ca 0.26 -0.13 -0.04 0.00 0.05 0.00 0.00 58.73 58.87 2wmi h TYR 574 Cb 0.15 -0.34 -0.01 0.00 1.01 0.00 0.00 36.73 37.54 2wmi h TYR 574 CO 0.01 0.95 0.04 1.25 -1.05 0.00 0.00 178.16 179.36 2wmi h LEU 575 N 1.08 0.55 -0.22 3.88 5.85 -0.94 -1.99 115.31 123.53 2wmi h LEU 575 Ca 0.23 -0.27 -0.03 0.00 0.84 0.00 0.00 57.88 58.65 2wmi h LEU 575 Cb 0.34 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 2wmi h LEU 575 CO -0.00 0.69 0.02 0.50 -0.34 0.00 0.00 178.44 179.30 2wmi h LYS 576 N 0.39 0.38 -0.37 1.25 3.64 -1.12 0.65 116.57 121.39 2wmi h LYS 576 Ca 0.10 -0.11 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 2wmi h LYS 576 Cb 0.38 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.14 2wmi h LYS 576 CO 0.01 0.54 0.09 -0.24 -2.27 0.00 0.00 179.45 177.58 2wmi h VAL 577 N 0.16 1.17 -0.02 2.00 3.04 -1.28 0.10 116.25 121.42 2wmi h VAL 577 Ca 0.06 -0.61 -0.01 0.00 -1.01 0.00 0.00 66.70 65.14 2wmi h VAL 577 Cb 0.36 0.80 -0.00 0.00 -2.01 0.00 0.00 31.29 30.43 2wmi h VAL 577 CO 0.01 0.22 -0.01 0.28 -1.01 0.00 0.00 177.57 177.06 2wmi h SER 578 N 0.53 0.05 -0.73 3.17 0.02 -1.09 -2.99 113.55 112.52 2wmi h SER 578 Ca 0.12 -0.41 0.05 0.00 -0.84 0.00 0.00 61.79 60.72 2wmi h SER 578 Cb 0.21 -0.01 -0.05 0.00 0.14 0.00 0.00 62.40 62.68 2wmi h SER 578 CO -0.00 0.45 0.43 0.00 -1.14 0.00 0.00 176.83 176.57 2wmi h ALA 579 N 0.60 0.98 -0.95 3.77 0.00 -0.45 0.20 119.26 123.42 2wmi h ALA 579 Ca 0.01 -0.00 0.23 0.00 0.00 0.00 0.00 54.91 55.14 2wmi h ALA 579 Cb 0.43 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 17.97 2wmi h ALA 579 CO 0.00 0.15 0.63 -0.22 0.00 0.00 0.00 179.25 179.81 2wmi h LYS 580 N 0.81 0.35 -0.01 0.00 3.64 -0.82 -2.48 116.57 118.06 2wmi h LYS 580 Ca 0.32 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.67 2wmi h LYS 580 Cb 0.14 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 2wmi h LYS 580 CO -0.16 0.23 -0.08 0.09 -2.27 0.00 0.00 179.45 177.26 2wmi n ASN 581 N -4.51 1.88 -0.21 4.20 4.13 -0.46 -4.95 115.26 115.34 2wmi n ASN 581 Ca 0.21 -1.44 -0.03 0.00 1.68 0.00 0.00 54.58 55.00 2wmi n ASN 581 Cb 0.78 0.14 -0.01 0.00 -1.54 0.00 0.00 39.78 39.15 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 0.82 0.60 4.02 7.41 0.00 -0.09 -4.82 105.19 113.12 2wmi n GLY 582 Ca 0.07 -0.68 -0.22 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.72 1.73 -0.06 -0.02 0.00 -0.31 -0.76 107.32 105.18 2wmi s GLY 583 Ca 0.00 -2.01 0.00 0.00 0.00 0.00 0.00 44.72 42.72 2wmi s GLY 583 CO 0.00 -1.46 -0.05 -0.19 0.00 0.00 0.00 173.10 171.40 2wmi s TYR 584 N -2.93 2.99 -0.24 1.90 2.02 -0.37 -4.09 117.35 116.62 2wmi s TYR 584 Ca 0.65 0.06 -0.15 0.00 -0.37 0.00 0.00 57.07 57.26 2wmi s TYR 584 Cb -0.05 -1.72 -0.04 0.00 -0.40 0.00 0.00 41.96 39.75 2wmi s TYR 584 CO 0.42 0.37 0.36 0.12 -1.57 0.00 0.00 175.55 175.25 2wmi s PHE 585 N -0.86 3.30 -0.17 2.71 5.36 -0.36 -1.17 117.98 126.78 2wmi s PHE 585 Ca 0.13 0.46 -0.01 0.00 -0.96 0.00 0.00 56.93 56.55 2wmi s PHE 585 Cb -0.11 -2.52 -0.00 0.00 -0.34 0.00 0.00 43.02 40.04 2wmi s PHE 585 CO 0.03 -0.12 -0.12 0.42 -1.46 0.00 0.00 175.22 173.97 2wmi s ILE 586 N 1.70 2.93 -0.19 3.12 1.01 0.23 -1.01 121.20 129.01 2wmi s ILE 586 Ca 0.15 -0.67 0.01 0.00 0.00 0.00 0.00 60.65 60.15 2wmi s ILE 586 Cb -0.15 -2.27 0.03 0.00 0.01 0.00 0.00 42.46 40.08 2wmi s ILE 586 CO 0.09 0.49 -0.14 0.86 0.00 0.00 0.00 174.94 176.24 2wmi s TRP 587 N 0.96 2.56 -0.30 3.97 -0.11 -0.37 -0.37 118.94 125.27 2wmi s TRP 587 Ca -0.02 -1.60 -0.10 0.00 1.22 0.00 0.00 56.10 55.60 2wmi s TRP 587 Cb -0.15 -1.74 -0.02 0.00 -1.50 0.00 0.00 33.47 30.06 2wmi s TRP 587 CO -0.01 -0.76 0.16 0.00 -4.62 0.00 0.00 176.95 171.72 2wmi s ALA 588 N 1.35 3.35 0.04 5.86 0.00 0.26 -0.68 121.76 131.94 2wmi s ALA 588 Ca 0.01 -1.29 -0.11 0.00 0.00 0.00 0.00 51.96 50.56 2wmi s ALA 588 Cb -0.15 -2.41 0.01 0.00 0.00 0.00 0.00 23.12 20.57 2wmi s ALA 588 CO -0.10 -0.79 0.25 -2.00 0.00 0.00 0.00 175.76 173.12 2wmi s GLU 589 N 1.66 0.74 0.05 0.00 2.56 0.05 -1.99 118.70 121.76 2wmi s GLU 589 Ca 0.06 -0.55 0.09 0.00 0.00 0.00 0.00 54.97 54.57 2wmi s GLU 589 Cb -0.17 0.31 -0.03 0.00 2.00 0.00 0.00 34.13 36.25 2wmi s GLU 589 CO 0.08 -0.22 -0.26 -1.14 -0.56 0.00 0.00 175.26 173.15 2wmi s GLN 590 N -2.47 1.81 0.00 4.30 2.00 -1.26 -3.10 119.66 120.93 2wmi s GLN 590 Ca -0.06 -1.11 0.00 0.00 -2.00 0.00 0.00 55.36 52.19 2wmi s GLN 590 Cb -0.01 -1.99 0.00 0.00 0.80 0.00 0.00 33.01 31.80 2wmi s GLN 590 CO -0.03 0.51 0.63 -1.71 -0.50 0.00 0.00 175.29 174.19 2wmi n ASN 591 N 1.73 1.84 -4.77 6.67 5.15 -1.26 -4.44 115.26 120.19 2wmi n ASN 591 Ca -0.17 -1.20 -0.39 0.00 -0.60 0.00 0.00 54.58 52.22 2wmi n ASN 591 Cb 0.52 -0.33 -0.01 0.00 -0.53 0.00 0.00 39.78 39.43 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 1.16 6.33 -1.47 1.20 -0.87 -1.26 -3.06 114.94 116.98 2wmi s ASN 592 Ca 0.00 2.58 -0.14 0.00 -1.57 0.00 0.00 52.86 53.74 2wmi s ASN 592 Cb 0.00 -2.63 0.11 0.00 -0.02 0.00 0.00 41.25 38.71 2wmi s ASN 592 CO 0.00 -0.83 0.66 0.61 -2.57 0.00 0.00 177.10 174.97 2wmi n GLY 593 N 0.66 -0.47 2.40 0.66 0.00 -1.26 -2.14 105.19 105.05 2wmi n GLY 593 Ca 0.04 0.12 -0.17 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.48 -5.07 -0.19 1.61 7.64 -1.17 -4.94 113.62 109.02 2wmi n SER 594 Ca 0.03 0.17 -0.00 0.00 1.01 0.00 0.00 58.87 60.08 2wmi n SER 594 Cb 0.51 -4.13 0.08 0.00 -1.01 0.00 0.00 64.21 59.66 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 0.48 0.51 -0.42 -0.43 0.00 -1.57 -0.62 119.26 117.21 2wmi h ALA 595 Ca -0.39 0.19 -0.14 0.00 0.00 0.00 0.00 54.91 54.58 2wmi h ALA 595 Cb 1.23 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 19.35 2wmi h ALA 595 CO 0.50 -0.41 -0.28 0.82 0.00 0.00 0.00 179.25 179.88 2wmi h ILE 596 N 0.08 1.27 0.01 0.00 1.08 -1.86 -0.82 117.51 117.27 2wmi h ILE 596 Ca 0.29 -1.45 0.01 0.00 -0.39 0.00 0.00 64.86 63.32 2wmi h ILE 596 Cb 0.46 1.28 -0.01 0.00 -3.07 0.00 0.00 36.82 35.49 2wmi h ILE 596 CO -0.52 0.49 -0.05 -0.33 -0.69 0.00 0.00 178.15 177.05 2wmi h GLU 597 N 0.76 -0.09 -0.64 2.37 5.08 -1.85 -3.00 114.58 117.20 2wmi h GLU 597 Ca 0.08 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.48 2wmi h GLU 597 Cb 0.87 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.09 2wmi h GLU 597 CO 0.08 -0.06 0.39 0.87 -1.00 0.00 0.00 179.01 179.28 2wmi h LYS 598 N -0.10 0.73 -1.01 2.33 1.57 -1.03 -2.31 116.57 116.75 2wmi h LYS 598 Ca 0.02 -0.04 0.26 0.00 -1.87 0.00 0.00 60.65 59.02 2wmi h LYS 598 Cb 0.12 -0.16 -0.07 0.00 0.08 0.00 0.00 32.23 32.19 2wmi h LYS 598 CO -0.05 0.48 0.68 0.00 -0.57 0.00 0.00 179.45 179.99 2wmi h ALA 599 N 1.29 2.45 -0.02 3.86 0.00 -1.01 0.84 119.26 126.68 2wmi h ALA 599 Ca 0.27 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2wmi h ALA 599 Cb 0.06 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2wmi h ALA 599 CO -0.12 -0.80 -0.07 1.19 0.00 0.00 0.00 179.25 179.45 2wmi n PHE 600 N -4.48 0.00 0.00 0.00 3.72 -0.98 -4.11 117.46 111.61 2wmi n PHE 600 Ca 0.23 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.63 2wmi n PHE 600 Cb 0.91 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.44 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 1.32 1.50 0.26 1.37 0.00 0.29 -4.45 105.19 105.49 2wmi n GLY 601 Ca 0.14 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.20 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 0.00 0.11 -0.66 1.61 3.64 -1.53 0.73 116.57 120.46 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 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 2wmi h LYS 602 CO 0.00 0.07 0.00 0.09 -2.27 0.00 0.00 179.45 177.34 2wmi n ASN 603 N -5.32 4.85 0.00 4.20 3.02 -1.26 -4.89 115.26 115.86 2wmi n ASN 603 Ca 0.12 -2.75 0.00 0.00 -0.03 0.00 0.00 54.58 51.92 2wmi n ASN 603 Cb 0.44 -0.65 0.00 0.00 -0.61 0.00 0.00 39.78 38.96 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 0.51 0.65 3.36 7.41 0.00 0.25 -5.03 105.19 112.35 2wmi n GLY 604 Ca 0.23 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.77 3.27 0.00 1.61 1.02 -1.25 -4.90 119.74 118.73 2wmi s LYS 605 Ca 0.00 -1.80 0.16 0.00 0.02 0.00 0.00 55.97 54.35 2wmi s LYS 605 Cb 0.00 -4.41 0.40 0.00 -0.52 0.00 0.00 37.83 33.30 2wmi s LYS 605 CO 0.00 -1.45 1.32 0.44 -0.92 0.00 0.00 175.35 174.73 2wmi n ILE 606 N 5.01 0.81 -0.16 2.17 -5.35 -1.26 -3.61 119.36 116.97 2wmi n ILE 606 Ca 0.01 -0.91 -0.05 0.00 -0.27 0.00 0.00 62.75 61.53 2wmi n ILE 606 Cb 0.44 0.66 0.04 0.00 -1.74 0.00 0.00 39.64 39.04 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 3.11 0.62 -0.35 -1.28 0.00 -1.90 -2.15 119.26 117.31 2wmi h ALA 607 Ca 0.00 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 2wmi h ALA 607 Cb 0.82 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2wmi h ALA 607 CO 0.00 -0.07 -0.16 0.35 0.00 0.00 0.00 179.25 179.37 2wmi h PHE 608 N 0.52 0.83 -0.69 0.00 3.57 -1.80 -0.96 116.94 118.41 2wmi h PHE 608 Ca 0.21 -0.20 0.14 0.00 3.53 0.00 0.00 57.97 61.65 2wmi h PHE 608 Cb 0.08 -0.19 -0.10 0.00 2.79 0.00 0.00 35.95 38.52 2wmi h PHE 608 CO -0.09 0.92 0.15 0.37 -2.23 0.00 0.00 178.31 177.43 2wmi h GLN 609 N 0.50 0.25 -0.07 1.11 4.15 -1.63 -0.20 115.11 119.22 2wmi h GLN 609 Ca 0.08 -0.01 -0.16 0.00 0.77 0.00 0.00 58.65 59.33 2wmi h GLN 609 Cb 0.70 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.32 2wmi h GLN 609 CO 0.05 0.16 -0.64 0.87 -1.93 0.00 0.00 178.83 177.34 2wmi h LYS 610 N 0.25 0.29 -0.26 1.69 1.79 -1.23 -2.22 116.57 116.88 2wmi h LYS 610 Ca 0.38 -0.21 -0.01 0.00 -2.18 0.00 0.00 60.65 58.63 2wmi h LYS 610 Cb 0.62 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.30 2wmi h LYS 610 CO -0.48 0.83 0.13 1.03 -1.08 0.00 0.00 179.45 179.88 2wmi h SER 611 N 0.21 0.34 -0.86 0.86 0.87 -0.39 -3.03 113.55 111.55 2wmi h SER 611 Ca -0.01 -0.11 -0.01 0.00 -1.23 0.00 0.00 61.79 60.42 2wmi h SER 611 Cb 1.17 -0.09 -0.04 0.00 -0.44 0.00 0.00 62.40 63.00 2wmi h SER 611 CO 0.10 0.35 0.49 0.58 -0.53 0.00 0.00 176.83 177.83 2wmi h VAL 612 N 0.30 1.25 -0.98 2.23 2.07 -0.89 0.18 116.25 120.41 2wmi h VAL 612 Ca 0.09 -0.58 0.23 0.00 0.82 0.00 0.00 66.70 67.26 2wmi h VAL 612 Cb 0.10 0.06 -0.08 0.00 -1.52 0.00 0.00 31.29 29.85 2wmi h VAL 612 CO -0.01 0.27 0.64 0.44 0.02 0.00 0.00 177.57 178.92 2wmi h ASP 613 N 1.20 0.45 0.16 0.57 3.32 -1.28 -1.30 116.42 119.54 2wmi h ASP 613 Ca 0.31 0.06 -0.36 0.00 0.02 0.00 0.00 57.03 57.06 2wmi h ASP 613 Cb -0.00 -0.02 -0.04 0.00 0.22 0.00 0.00 39.33 39.49 2wmi h ASP 613 CO -0.05 0.14 -2.08 0.29 -1.72 0.00 0.00 179.24 175.82 2wmi n LYS 614 N -4.57 0.71 -0.07 3.56 5.02 -0.67 -4.74 118.16 117.40 2wmi n LYS 614 Ca 0.22 0.22 0.08 0.00 -2.02 0.00 0.00 58.31 56.81 2wmi n LYS 614 Cb 0.77 -1.67 0.11 0.00 -0.02 0.00 0.00 35.03 34.23 2wmi n LYS 614 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2wmi n TYR 615 N -3.28 0.00 0.20 2.13 4.01 0.53 -4.75 117.16 116.01 2wmi n TYR 615 Ca -0.32 -0.89 0.15 0.00 -0.16 0.00 0.00 57.90 56.68 2wmi n TYR 615 Cb 1.05 -0.13 0.78 0.00 -0.31 0.00 0.00 39.34 40.73 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 0.00 0.00 0.00 -0.72 5.08 -1.46 -0.09 115.95 118.76 2wmi h TRP 616 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 2wmi h TRP 616 Cb 0.94 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.10 2wmi h TRP 616 CO 0.00 0.00 0.00 0.87 -1.28 0.00 0.00 178.44 178.03 2wmi h LYS 617 N 0.00 0.00 -0.30 0.12 1.57 -1.87 -1.62 116.57 114.47 2wmi h LYS 617 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 2wmi h LYS 617 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.68 2wmi h LYS 617 CO -0.00 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 178.97 2wmi n ASN 618 N -2.30 3.49 -4.60 0.86 3.02 -0.05 -4.72 115.26 110.96 2wmi n ASN 618 Ca -0.01 -2.58 -0.34 0.00 -0.03 0.00 0.00 54.58 51.62 2wmi n ASN 618 Cb 0.09 -0.41 -0.11 0.00 -0.61 0.00 0.00 39.78 38.74 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 -2.04 3.42 -0.11 3.41 2.96 -0.70 -1.22 118.68 124.39 2wmi s LEU 619 Ca 0.34 0.02 0.03 0.00 -0.22 0.00 0.00 54.13 54.30 2wmi s LEU 619 Cb 0.25 -1.80 0.01 0.00 0.50 0.00 0.00 46.19 45.15 2wmi s LEU 619 CO 0.12 0.29 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.60 2wmi s ILE 620 N -0.37 1.93 -0.14 6.68 -1.09 -0.18 -1.07 121.20 126.96 2wmi s ILE 620 Ca 0.07 -0.92 0.00 0.00 -2.23 0.00 0.00 60.65 57.57 2wmi s ILE 620 Cb -0.12 -1.70 -0.00 0.00 -1.58 0.00 0.00 42.46 39.06 2wmi s ILE 620 CO 0.02 0.53 -0.15 0.12 -1.23 0.00 0.00 174.94 174.23 2wmi s PHE 621 N 0.61 2.77 0.07 3.97 5.99 -1.09 -1.24 117.98 129.07 2wmi s PHE 621 Ca -0.13 -0.94 0.07 0.00 0.00 0.00 0.00 56.93 55.93 2wmi s PHE 621 Cb -0.17 -1.87 -0.03 0.00 0.00 0.00 0.00 43.02 40.96 2wmi s PHE 621 CO 0.03 -0.40 -0.19 -1.64 -0.00 0.00 0.00 175.22 173.02 2wmi s MET 622 N 0.67 1.10 0.89 10.12 -1.94 0.14 -1.95 119.30 128.34 2wmi s MET 622 Ca -0.08 -1.01 -0.11 0.00 -1.71 0.00 0.00 55.69 52.78 2wmi s MET 622 Cb -0.16 -1.24 0.13 0.00 2.01 0.00 0.00 34.83 35.57 2wmi s MET 622 CO 0.02 0.30 1.09 -0.59 -0.01 0.00 0.00 175.02 175.83 2wmi s PHE 623 N -1.04 2.27 -0.30 -0.03 -0.12 -0.66 -0.77 117.98 117.33 2wmi s PHE 623 Ca 0.04 1.32 -0.02 0.00 -0.05 0.00 0.00 56.93 58.22 2wmi s PHE 623 Cb -0.09 -3.15 0.12 0.00 -0.63 0.00 0.00 43.02 39.26 2wmi s PHE 623 CO 0.03 -2.41 0.20 0.21 -0.05 0.00 0.00 175.22 173.20 2wmi s LYS 624 N -4.89 0.27 0.00 1.99 2.47 -1.18 -0.71 119.74 117.69 2wmi s LYS 624 Ca 0.64 -0.46 0.12 0.00 -1.56 0.00 0.00 55.97 54.71 2wmi s LYS 624 Cb -0.18 -0.99 0.40 0.00 -1.46 0.00 0.00 37.83 35.60 2wmi s LYS 624 CO 0.57 -1.04 1.31 0.27 0.16 0.00 0.00 175.35 176.62 2wmi n ASN 625 N 5.17 1.61 -0.30 1.43 0.23 -0.64 -4.31 115.26 118.45 2wmi n ASN 625 Ca -0.03 -1.92 0.04 0.00 -0.53 0.00 0.00 54.58 52.13 2wmi n ASN 625 Cb 0.43 -0.18 0.10 0.00 -2.08 0.00 0.00 39.78 38.05 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 0.35 -0.36 -1.77 5.53 -1.04 -1.26 -3.73 114.28 112.00 2wmi n THR 626 Ca 0.12 1.87 -0.41 0.00 -2.04 0.00 0.00 64.05 63.59 2wmi n THR 626 Cb 0.27 -2.56 -0.01 0.00 -1.82 0.00 0.00 70.33 66.21 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 -5.29 3.69 0.23 -2.82 -0.04 -1.26 -4.26 135.00 125.24 2wmi n PRO 627 Ca 0.12 -2.84 0.06 0.00 -0.04 0.00 0.00 63.50 60.80 2wmi n PRO 627 Cb 0.39 -2.90 0.53 0.00 -0.04 0.00 0.00 33.50 31.47 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 5.29 1.56 0.00 0.55 0.00 -1.86 -2.36 119.26 122.44 2wmi h ALA 628 Ca 0.67 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.39 2wmi h ALA 628 Cb 0.44 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 2wmi h ALA 628 CO 1.71 0.25 -0.05 0.00 0.00 0.00 0.00 179.25 181.16 2wmi h ALA 629 N 1.80 1.68 -0.01 0.00 0.00 -1.84 -2.23 119.26 118.68 2wmi h ALA 629 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2wmi h ALA 629 Cb 0.37 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2wmi h ALA 629 CO 0.03 0.06 -0.21 0.39 0.00 0.00 0.00 179.25 179.51 2wmi n GLU 630 N -4.13 0.75 -2.16 0.00 4.71 -0.89 -4.90 120.64 114.02 2wmi n GLU 630 Ca -0.03 -0.38 -0.17 0.00 -0.01 0.00 0.00 57.16 56.57 2wmi n GLU 630 Cb 0.13 -1.49 -0.02 0.00 -1.01 0.00 0.00 31.44 29.05 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 1.33 0.07 1.49 0.62 0.00 -0.84 -4.74 105.19 103.12 2wmi n GLY 631 Ca 0.13 -0.17 0.06 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.20 4.40 0.21 1.61 5.03 -1.26 -3.64 115.26 120.41 2wmi n ASN 632 Ca -0.20 -2.59 -0.15 0.00 0.87 0.00 0.00 54.58 52.51 2wmi n ASN 632 Cb 0.64 -0.60 -0.08 0.00 -1.02 0.00 0.00 39.78 38.72 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 3.15 -0.46 -0.43 6.41 3.45 -1.89 -1.38 116.42 125.27 2wmi h ASP 633 Ca 0.00 0.02 -0.13 0.00 0.43 0.00 0.00 57.03 57.36 2wmi h ASP 633 Cb 1.49 0.13 -0.01 0.00 -0.56 0.00 0.00 39.33 40.39 2wmi h ASP 633 CO 0.32 -0.31 -0.23 0.77 -1.57 0.00 0.00 179.24 178.22 2wmi h SER 634 N -0.49 0.94 -0.29 6.45 4.64 -1.86 -1.45 113.55 121.48 2wmi h SER 634 Ca -0.04 -0.41 -0.19 0.00 -0.47 0.00 0.00 61.79 60.68 2wmi h SER 634 Cb 0.40 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 2wmi h SER 634 CO 0.05 1.15 -0.54 0.71 -0.87 0.00 0.00 176.83 177.33 2wmi h THR 635 N 0.74 1.27 -0.08 2.95 1.35 -1.87 -0.57 112.91 116.70 2wmi h THR 635 Ca 0.09 -1.72 0.00 0.00 -0.55 0.00 0.00 66.41 64.23 2wmi h THR 635 Cb 0.80 1.61 -0.00 0.00 -1.73 0.00 0.00 68.15 68.83 2wmi h THR 635 CO 0.07 0.56 0.05 0.74 -0.25 0.00 0.00 175.52 176.69 2wmi h THR 636 N 0.68 1.04 -0.86 6.82 2.02 -1.18 -2.01 112.91 119.43 2wmi h THR 636 Ca 0.02 -0.10 -0.02 0.00 0.77 0.00 0.00 66.41 67.08 2wmi h THR 636 Cb 1.15 0.96 -0.04 0.00 -1.74 0.00 0.00 68.15 68.48 2wmi h THR 636 CO 0.12 0.04 0.48 -0.08 0.37 0.00 0.00 175.52 176.44 2wmi h GLU 637 N 0.09 1.20 -0.39 6.66 4.81 -1.18 -0.94 114.58 124.82 2wmi h GLU 637 Ca 0.03 -0.13 0.07 0.00 -0.13 0.00 0.00 59.36 59.19 2wmi h GLU 637 Cb 0.02 -0.24 -0.06 0.00 0.63 0.00 0.00 28.75 29.10 2wmi h GLU 637 CO -0.01 0.87 0.02 1.03 -0.73 0.00 0.00 179.01 180.19 2wmi h SER 638 N 1.20 -0.13 -0.29 1.04 0.87 -0.99 -1.26 113.55 114.00 2wmi h SER 638 Ca 0.30 0.09 -0.01 0.00 -1.23 0.00 0.00 61.79 60.93 2wmi h SER 638 Cb 0.02 0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.11 2wmi h SER 638 CO -0.05 -0.03 0.12 1.88 -0.53 0.00 0.00 176.83 178.23 2wmi h TYR 639 N 0.12 0.43 -0.41 2.24 0.05 -0.89 -0.29 116.97 118.23 2wmi h TYR 639 Ca 0.19 -0.03 0.08 0.00 0.05 0.00 0.00 58.73 59.02 2wmi h TYR 639 Cb 0.26 -0.13 -0.08 0.00 1.01 0.00 0.00 36.73 37.79 2wmi h TYR 639 CO -0.25 0.42 -0.10 0.52 -1.05 0.00 0.00 178.16 177.69 2wmi h MET 640 N 0.32 -0.00 -0.18 4.88 2.86 -0.89 0.16 114.93 122.08 2wmi h MET 640 Ca 0.10 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.73 2wmi h MET 640 Cb 0.16 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 2wmi h MET 640 CO -0.01 -0.00 0.07 -0.22 1.06 0.00 0.00 176.91 177.81 2wmi h LYS 641 N -0.00 0.27 -0.94 1.72 3.64 -1.06 -2.63 116.57 117.56 2wmi h LYS 641 Ca 0.20 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.52 2wmi h LYS 641 Cb 0.30 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.03 2wmi h LYS 641 CO -0.42 0.34 0.58 0.78 -2.27 0.00 0.00 179.45 178.46 2wmi h GLY 642 N 0.14 1.36 1.03 5.01 0.00 -0.65 -0.85 103.07 109.11 2wmi h GLY 642 Ca 0.06 -0.56 -0.03 0.00 0.00 0.00 0.00 47.33 46.81 2wmi h GLY 642 CO -0.01 0.54 0.41 1.41 0.00 0.00 0.00 176.54 178.89 2wmi h LEU 643 N 1.30 1.05 0.03 3.11 3.38 -0.68 -1.21 115.31 122.28 2wmi h LEU 643 Ca 0.34 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 2wmi h LEU 643 Cb -0.07 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.41 2wmi h LEU 643 CO -0.07 0.87 -0.01 -0.25 0.09 0.00 0.00 178.44 179.08 2wmi h TRP 644 N 1.14 -0.03 0.00 1.13 7.01 -1.08 0.33 115.95 124.45 2wmi h TRP 644 Ca 0.28 -0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.27 2wmi h TRP 644 Cb 0.09 0.01 -0.00 0.00 -2.10 0.00 0.00 29.16 27.16 2wmi h TRP 644 CO 0.01 0.22 -0.05 -0.07 -2.79 0.00 0.00 178.44 175.75 2wmi h LEU 645 N -0.28 0.00 -3.30 0.65 3.38 -0.94 -2.53 115.31 112.29 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 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2wmi h LEU 645 CO 0.01 0.05 0.00 -1.54 0.09 0.00 0.00 178.44 177.05 2wmi n SER 646 N -4.07 5.01 -2.48 -0.43 3.41 -0.48 -4.95 113.62 109.64 2wmi n SER 646 Ca -0.03 -2.66 -0.19 0.00 -0.26 0.00 0.00 58.87 55.73 2wmi n SER 646 Cb 0.14 -0.61 0.02 0.00 -0.26 0.00 0.00 64.21 63.50 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 0.79 -5.55 -1.08 4.04 3.02 -0.95 -4.90 115.26 110.62 2wmi n ASN 647 Ca 0.26 -0.17 0.12 0.00 -0.03 0.00 0.00 54.58 54.76 2wmi n ASN 647 Cb 0.99 -4.47 0.18 0.00 -0.61 0.00 0.00 39.78 35.88 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 -4.25 0.37 -3.56 3.10 8.25 0.11 -4.87 115.22 114.38 2wmi n HIS 648 Ca -0.15 -0.19 -0.16 0.00 -0.26 0.00 0.00 57.72 56.96 2wmi n HIS 648 Cb 0.63 -0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.68 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 -1.56 0.00 0.09 1.59 -1.32 -1.18 -4.88 115.64 108.38 2wmi s THR 649 Ca 0.35 0.00 -0.18 0.00 -1.21 0.00 0.00 61.69 60.65 2wmi s THR 649 Cb 0.21 -1.00 -0.07 0.00 -1.51 0.00 0.00 72.50 70.14 2wmi s THR 649 CO 0.30 0.00 1.53 0.22 -2.21 0.00 0.00 174.62 174.47 2wmi h TYR 650 N 3.73 0.54 -3.92 9.09 3.20 -0.21 -3.40 116.97 126.00 2wmi h TYR 650 Ca -0.27 -0.09 -0.14 0.00 3.14 0.00 0.00 58.73 61.36 2wmi h TYR 650 Cb 1.15 -0.14 -0.10 0.00 1.54 0.00 0.00 36.73 39.18 2wmi h TYR 650 CO 0.38 0.64 -0.22 -0.65 -1.64 0.00 0.00 178.16 176.68 2wmi s GLN 651 N -4.99 1.59 0.22 1.82 -1.52 -1.23 -5.04 119.66 110.50 2wmi s GLN 651 Ca -0.13 -1.45 -0.00 0.00 -1.95 0.00 0.00 55.36 51.82 2wmi s GLN 651 Cb 0.08 0.43 -0.04 0.00 -0.22 0.00 0.00 33.01 33.26 2wmi s GLN 651 CO 0.76 -0.65 0.12 1.67 -0.25 0.00 0.00 175.29 176.94 2wmi s TRP 652 N -3.77 1.27 0.00 0.91 1.48 -1.26 -2.65 118.94 114.92 2wmi s TRP 652 Ca 0.27 -1.33 0.00 0.00 -1.06 0.00 0.00 56.10 53.98 2wmi s TRP 652 Cb 0.01 -0.65 0.00 0.00 -1.16 0.00 0.00 33.47 31.66 2wmi s TRP 652 CO 0.12 -0.56 0.00 0.41 -4.06 0.00 0.00 176.95 172.86 2wmi n GLY 653 N -0.33 1.94 3.28 3.67 0.00 -0.82 -0.96 105.19 111.97 2wmi n GLY 653 Ca 0.02 -0.46 -0.14 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.19 -0.26 -0.29 -0.02 0.00 -0.90 -1.65 107.32 104.02 2wmi s GLY 654 Ca 0.00 0.80 -0.08 0.00 0.00 0.00 0.00 44.72 45.44 2wmi s GLY 654 CO 0.00 0.61 0.11 -2.27 0.00 0.00 0.00 173.10 171.55 2wmi s LEU 655 N -0.53 3.84 -0.20 0.66 0.20 0.11 -2.42 118.68 120.34 2wmi s LEU 655 Ca -0.06 -0.45 -0.09 0.00 0.69 0.00 0.00 54.13 54.21 2wmi s LEU 655 Cb -0.04 -1.95 -0.04 0.00 -0.43 0.00 0.00 46.19 43.72 2wmi s LEU 655 CO 0.03 -0.14 0.10 -0.04 -0.29 0.00 0.00 176.35 176.01 2wmi s MET 656 N 1.59 4.04 -0.12 1.98 -1.94 -0.57 -1.62 119.30 122.67 2wmi s MET 656 Ca 0.05 -0.30 -0.00 0.00 -1.71 0.00 0.00 55.69 53.73 2wmi s MET 656 Cb -0.16 -3.35 0.02 0.00 2.01 0.00 0.00 34.83 33.35 2wmi s MET 656 CO 0.05 0.21 -0.10 0.34 -0.01 0.00 0.00 175.02 175.51 2wmi s ASP 657 N 0.59 2.33 0.08 3.03 2.15 -1.26 -1.64 116.67 121.95 2wmi s ASP 657 Ca 0.06 -0.36 0.19 0.00 0.43 0.00 0.00 52.55 52.87 2wmi s ASP 657 Cb -0.12 -0.94 0.80 0.00 -0.30 0.00 0.00 42.92 42.35 2wmi s ASP 657 CO 0.01 -0.10 1.60 0.35 -0.17 0.00 0.00 175.17 176.86 2wmi n THR 658 N 4.89 0.82 0.20 1.71 -2.24 0.23 -1.89 114.28 117.99 2wmi n THR 658 Ca -0.14 0.19 0.11 0.00 -2.27 0.00 0.00 64.05 61.94 2wmi n THR 658 Cb 0.50 -0.97 0.55 0.00 -2.10 0.00 0.00 70.33 68.31 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 -1.75 0.72 0.05 4.78 7.02 -1.26 -2.36 117.44 124.63 2wmi n TRP 659 Ca 0.04 0.36 0.19 0.00 -1.02 0.00 0.00 57.50 57.06 2wmi n TRP 659 Cb 0.22 -1.08 0.69 0.00 -2.42 0.00 0.00 31.31 28.73 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 -0.51 -0.99 2.10 -1.56 -0.75 116.57 114.87 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 0.06 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.37 2wmi h LYS 660 CO 0.00 0.00 -0.12 2.35 -2.00 0.00 0.00 179.45 179.68 2wmi h TRP 661 N 0.00 1.06 0.22 0.07 2.91 -1.74 -1.91 115.95 116.57 2wmi h TRP 661 Ca 0.21 -0.22 -0.01 0.00 1.13 0.00 0.00 58.89 60.00 2wmi h TRP 661 Cb 0.86 -0.26 0.00 0.00 -0.51 0.00 0.00 29.16 29.25 2wmi h TRP 661 CO 0.00 1.00 -0.10 -0.92 -1.03 0.00 0.00 178.44 177.39 2wmi h TYR 662 N 0.85 -0.27 -0.89 2.65 3.20 -1.55 -1.55 116.97 119.41 2wmi h TYR 662 Ca 0.13 -0.01 0.21 0.00 3.14 0.00 0.00 58.73 62.21 2wmi h TYR 662 Cb 0.66 0.09 -0.06 0.00 1.54 0.00 0.00 36.73 38.96 2wmi h TYR 662 CO 0.04 0.05 0.60 0.93 -1.64 0.00 0.00 178.16 178.14 2wmi h GLU 663 N -0.62 0.30 -0.20 1.82 4.39 -1.01 0.05 114.58 119.31 2wmi h GLU 663 Ca -0.03 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.65 2wmi h GLU 663 Cb 0.44 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 2wmi h GLU 663 CO 0.05 0.20 0.00 0.25 -1.16 0.00 0.00 179.01 178.35 2wmi n THR 664 N -4.46 0.24 -1.42 1.13 -2.24 -0.73 -4.42 114.28 102.38 2wmi n THR 664 Ca 0.19 -0.59 -0.05 0.00 -2.27 0.00 0.00 64.05 61.33 2wmi n THR 664 Cb 0.75 1.14 -0.02 0.00 -2.10 0.00 0.00 70.33 70.10 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 1.40 0.62 3.86 3.38 0.00 0.00 -4.81 105.19 109.63 2wmi n GLY 665 Ca 0.17 -0.77 -0.31 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.96 3.64 0.00 1.61 1.02 -0.61 -0.74 119.74 121.70 2wmi s LYS 666 Ca 0.00 0.84 0.00 0.00 0.02 0.00 0.00 55.97 56.83 2wmi s LYS 666 Cb 0.00 -2.09 0.00 0.00 -0.52 0.00 0.00 37.83 35.22 2wmi s LYS 666 CO 0.00 -0.53 0.00 -2.67 -0.92 0.00 0.00 175.35 171.23 2wmi n TRP 667 N -2.42 0.00 -1.75 3.18 4.27 -1.26 -4.70 117.44 114.76 2wmi n TRP 667 Ca 0.06 0.00 -0.41 0.00 -3.89 0.00 0.00 57.50 53.26 2wmi n TRP 667 Cb 0.54 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.49 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 2.41 -1.68 -2.67 4.81 -1.26 -4.81 118.16 114.95 2wmi n LYS 668 Ca 0.00 0.85 -0.45 0.00 -0.87 0.00 0.00 58.31 57.84 2wmi n LYS 668 Cb 0.00 -2.57 -0.04 0.00 0.02 0.00 0.00 35.03 32.45 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 0.35 3.49 0.00 3.14 7.94 -1.26 -1.95 117.00 128.72 2wmi n LEU 669 Ca 0.03 1.05 0.00 0.00 -1.11 0.00 0.00 56.01 55.98 2wmi n LEU 669 Cb 0.39 -1.47 0.00 0.00 0.53 0.00 0.00 43.42 42.87 2wmi n LEU 669 CO 0.62 -0.08 0.00 0.49 -1.11 0.00 0.00 177.39 177.31 2wmi n PHE 670 N 4.33 0.00 -2.26 1.96 3.72 -1.26 -5.01 117.46 118.94 2wmi n PHE 670 Ca 0.18 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.23 2wmi n PHE 670 Cb 0.32 -0.57 0.00 0.00 -0.94 0.00 0.00 39.48 38.28 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 -2.48 2.70 0.59 4.37 0.00 -0.82 -4.94 121.76 121.18 2wmi s ALA 671 Ca 0.00 0.81 -0.17 0.00 0.00 0.00 0.00 51.96 52.60 2wmi s ALA 671 Cb 0.00 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 19.73 2wmi s ALA 671 CO 0.00 -0.77 1.10 0.45 0.00 0.00 0.00 175.76 176.54 2wmi s SER 672 N -1.79 5.55 0.00 0.00 0.15 -1.26 -4.92 113.70 111.43 2wmi s SER 672 Ca 0.73 2.02 0.00 0.00 0.70 0.00 0.00 55.95 59.40 2wmi s SER 672 Cb -0.24 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.52 2wmi s SER 672 CO 0.27 -1.33 0.00 0.61 1.20 0.00 0.00 173.24 173.99 2wmi n GLY 673 N -0.35 0.94 3.40 9.45 0.00 -1.26 -4.37 105.19 113.01 2wmi n GLY 673 Ca 0.10 -1.67 -0.33 0.00 0.00 0.00 0.00 46.02 44.13 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 -0.83 4.07 0.00 1.61 3.84 -1.26 -4.72 114.94 117.64 2wmi s ASN 674 Ca 0.00 -0.28 0.17 0.00 0.21 0.00 0.00 52.86 52.95 2wmi s ASN 674 Cb 0.00 -1.45 0.30 0.00 -0.55 0.00 0.00 41.25 39.55 2wmi s ASN 674 CO 0.00 0.21 1.22 2.30 -2.79 0.00 0.00 177.10 178.04 2wmi n ILE 675 N 3.24 0.50 -3.22 -5.21 -5.35 0.08 -4.91 119.36 104.50 2wmi n ILE 675 Ca -0.18 -0.75 0.00 0.00 -0.27 0.00 0.00 62.75 61.55 2wmi n ILE 675 Cb 0.53 0.93 0.00 0.00 -1.74 0.00 0.00 39.64 39.35 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 1.01 0.93 2.85 3.28 0.00 -1.24 -3.86 105.19 108.17 2wmi n GLY 676 Ca 0.14 -0.65 -0.42 0.00 0.00 0.00 0.00 46.02 45.09 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 4.04 0.00 1.61 5.02 -1.26 -4.27 118.16 123.30 2wmi n LYS 677 Ca 0.00 -3.84 0.00 0.00 -2.02 0.00 0.00 58.31 52.45 2wmi n LYS 677 Cb 0.00 -2.76 0.00 0.00 -0.02 0.00 0.00 35.03 32.25 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 2.77 2.74 -2.74 4.39 3.41 -1.25 -4.79 113.62 118.15 2wmi n SER 678 Ca 0.39 -0.21 -0.11 0.00 -0.26 0.00 0.00 58.87 58.68 2wmi n SER 678 Cb 0.34 0.96 0.02 0.00 -0.26 0.00 0.00 64.21 65.27 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 -1.24 1.14 -0.28 4.33 1.13 -1.26 -4.98 117.38 116.23 2wmi n GLN 679 Ca 0.00 -3.29 -0.01 0.00 -1.94 0.00 0.00 57.00 51.76 2wmi n GLN 679 Cb 0.00 -1.33 0.05 0.00 0.11 0.00 0.00 30.24 29.08 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 3.00 0.23 2.00 1.08 0.00 -1.94 0.12 103.07 107.56 2wmi h GLY 680 Ca -0.06 0.38 -0.05 0.00 0.00 0.00 0.00 47.33 47.60 2wmi h GLY 680 CO 0.50 -0.25 -0.24 -0.55 0.00 0.00 0.00 176.54 176.00 2wmi h ASP 681 N -0.06 0.00 0.10 0.19 3.32 -1.94 -0.91 116.42 117.12 2wmi h ASP 681 Ca 0.33 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 57.12 2wmi h ASP 681 Cb 0.58 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.15 2wmi h ASP 681 CO -0.81 0.24 -1.03 0.03 -1.72 0.00 0.00 179.24 175.95 2wmi h ARG 682 N 0.00 0.62 -0.36 3.56 3.08 -1.63 -3.35 114.38 116.29 2wmi h ARG 682 Ca -0.00 -0.68 -0.09 0.00 0.07 0.00 0.00 59.98 59.29 2wmi h ARG 682 Cb 1.10 0.19 -0.01 0.00 0.08 0.00 0.00 29.97 31.33 2wmi h ARG 682 CO 0.03 1.27 -0.11 1.96 -1.07 0.00 0.00 179.97 182.05 2wmi h GLN 683 N 0.34 0.71 0.00 0.04 4.20 0.00 -2.82 115.11 117.58 2wmi h GLN 683 Ca -0.12 -0.28 0.00 0.00 0.06 0.00 0.00 58.65 58.31 2wmi h GLN 683 Cb 1.68 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 29.42 2wmi h GLN 683 CO 0.20 0.87 0.00 -2.67 -0.67 0.00 0.00 178.83 176.56 2wmi n TRP 684 N -4.37 0.00 0.78 2.96 4.27 -0.42 -2.04 117.44 118.62 2wmi n TRP 684 Ca -0.02 0.00 0.12 0.00 -3.89 0.00 0.00 57.50 53.71 2wmi n TRP 684 Cb 0.36 -0.42 0.25 0.00 -1.36 0.00 0.00 31.31 30.15 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 -1.42 0.55 0.03 5.67 4.77 -1.07 -4.59 117.00 120.95 2wmi n LEU 685 Ca 0.05 0.18 0.07 0.00 -0.03 0.00 0.00 56.01 56.28 2wmi n LEU 685 Cb 0.16 -0.25 -0.09 0.00 -2.33 0.00 0.00 43.42 40.91 2wmi n LEU 685 CO 0.13 0.02 -0.41 0.41 -1.33 0.00 0.00 177.39 176.21 2wmi n THR 686 N -1.82 0.61 -1.68 -5.08 -1.04 -0.86 -4.88 114.28 99.53 2wmi n THR 686 Ca 0.05 -0.59 -0.46 0.00 -2.04 0.00 0.00 64.05 61.00 2wmi n THR 686 Cb 0.39 -0.33 -0.04 0.00 -1.82 0.00 0.00 70.33 68.53 2wmi n THR 686 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 2wmi n GLU 687 N -2.59 2.24 -1.59 -2.82 2.13 -1.26 -4.87 120.64 111.88 2wmi n GLU 687 Ca -0.06 0.81 -0.51 0.00 0.66 0.00 0.00 57.16 58.06 2wmi n GLU 687 Cb 0.68 -2.62 -0.05 0.00 0.27 0.00 0.00 31.44 29.71 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 4.63 1.14 -0.16 5.31 -0.02 -1.26 -4.89 135.00 139.75 2wmi n PRO 688 Ca 0.19 0.41 -0.03 0.00 -2.02 0.00 0.00 63.50 62.05 2wmi n PRO 688 Cb 0.30 -2.01 0.04 0.00 -0.02 0.00 0.00 33.50 31.81 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 4.21 0.01 0.00 -0.52 3.07 -1.90 -1.74 114.58 117.71 2wmi h GLU 689 Ca -0.46 -0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.37 2wmi h GLU 689 Cb 1.34 -0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.24 2wmi h GLU 689 CO 0.75 0.01 -0.10 0.66 -1.40 0.00 0.00 179.01 178.93 2wmi h SER 690 N 0.01 0.00 0.06 1.42 4.64 -1.44 -2.55 113.55 115.69 2wmi h SER 690 Ca 0.24 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.55 2wmi h SER 690 Cb 0.36 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.45 2wmi h SER 690 CO -0.50 0.10 -0.05 -0.03 -0.87 0.00 0.00 176.83 175.48 2wmi h MET 691 N 0.00 0.00 -0.73 4.77 -1.53 -1.60 -1.51 114.93 114.33 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 0.20 0.00 -0.03 0.00 -0.55 0.00 0.00 31.60 31.22 2wmi h MET 691 CO 0.01 0.05 0.38 -0.07 0.14 0.00 0.00 176.91 177.43 2wmi h LEU 692 N 0.00 0.91 -0.77 3.39 -0.00 -1.52 -1.16 115.31 116.15 2wmi h LEU 692 Ca -0.00 -0.08 -0.08 0.00 -0.00 0.00 0.00 57.88 57.72 2wmi h LEU 692 Cb 0.10 -0.23 -0.02 0.00 -0.00 0.00 0.00 40.66 40.50 2wmi h LEU 692 CO 0.01 0.75 0.03 1.23 -0.00 0.00 0.00 178.44 180.46 2wmi h GLY 693 N 1.07 1.04 1.01 0.83 0.00 -1.41 -0.46 103.07 105.14 2wmi h GLY 693 Ca 0.26 -0.71 -0.00 0.00 0.00 0.00 0.00 47.33 46.88 2wmi h GLY 693 CO -0.04 0.66 0.45 0.83 0.00 0.00 0.00 176.54 178.44 2wmi h GLU 694 N 0.89 0.98 -0.40 4.80 5.08 -1.01 -1.10 114.58 123.82 2wmi h GLU 694 Ca 0.17 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 2wmi h GLU 694 Cb 0.48 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 2wmi h GLU 694 CO 0.02 0.68 0.21 0.93 -1.00 0.00 0.00 179.01 179.85 2wmi h GLU 695 N 0.99 0.57 0.00 2.33 5.08 -1.04 -3.07 114.58 119.44 2wmi h GLU 695 Ca 0.26 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.50 2wmi h GLU 695 Cb -0.06 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 2wmi h GLU 695 CO -0.05 0.47 -0.26 0.00 -1.00 0.00 0.00 179.01 178.18 2wmi h ALA 696 N 1.06 1.26 -0.57 3.43 0.00 -0.80 -2.18 119.26 121.47 2wmi h ALA 696 Ca 0.14 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.82 2wmi h ALA 696 Cb 0.08 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2wmi h ALA 696 CO -0.02 0.32 0.38 -0.07 0.00 0.00 0.00 179.25 179.85 2wmi h LEU 697 N 0.00 0.65 -1.83 0.00 4.07 -1.10 -1.30 115.31 115.80 2wmi h LEU 697 Ca -0.00 -0.02 -0.03 0.00 0.08 0.00 0.00 57.88 57.91 2wmi h LEU 697 Cb 0.57 -0.16 -0.00 0.00 1.08 0.00 0.00 40.66 42.14 2wmi h LEU 697 CO 0.03 0.47 -0.14 1.23 -1.08 0.00 0.00 178.44 178.96 2wmi h GLY 698 N 0.77 0.00 0.30 0.83 0.00 -1.45 0.16 103.07 103.69 2wmi h GLY 698 Ca 0.21 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.53 2wmi h GLY 698 CO -0.04 0.00 -0.07 -2.08 0.00 0.00 0.00 176.54 174.34 2wmi h VAL 699 N 0.00 0.76 0.20 4.60 2.07 -1.34 -3.31 116.25 119.23 2wmi h VAL 699 Ca -0.00 -1.16 -0.00 0.00 0.82 0.00 0.00 66.70 66.35 2wmi h VAL 699 Cb 0.28 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 2wmi h VAL 699 CO 0.02 0.21 -0.14 0.22 0.02 0.00 0.00 177.57 177.90 2wmi h TYR 700 N -0.91 -0.36 0.00 1.57 3.20 -1.05 0.13 116.97 119.55 2wmi h TYR 700 Ca -0.02 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.85 2wmi h TYR 700 Cb 0.50 0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.91 2wmi h TYR 700 CO 0.08 -0.22 0.00 -0.07 -1.64 0.00 0.00 178.16 176.32 2wmi h LEU 701 N -0.34 0.00 -3.09 2.82 3.38 -0.87 -1.80 115.31 115.42 2wmi h LEU 701 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2wmi h LEU 701 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2wmi h LEU 701 CO 0.00 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.12 2wmi n ASN 702 N -2.50 3.02 0.00 -0.43 4.13 -0.97 -4.89 115.26 113.62 2wmi n ASN 702 Ca -0.02 -2.75 0.00 0.00 1.68 0.00 0.00 54.58 53.49 2wmi n ASN 702 Cb 0.05 -0.39 0.00 0.00 -1.54 0.00 0.00 39.78 37.90 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 -0.64 0.75 3.78 7.41 0.00 -0.68 -4.98 105.19 110.84 2wmi n GLY 703 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.84 2.46 0.00 -0.02 0.00 0.41 -4.79 107.32 103.54 2wmi s GLY 704 Ca 0.00 0.67 0.00 0.00 0.00 0.00 0.00 44.72 45.39 2wmi s GLY 704 CO 0.00 1.01 0.23 3.33 0.00 0.00 0.00 173.10 177.67 2wmi n VAL 705 N -1.47 0.05 -5.26 1.40 0.24 -0.14 -4.20 118.33 108.95 2wmi n VAL 705 Ca 0.10 -0.12 -0.31 0.00 -2.04 0.00 0.00 64.34 61.97 2wmi n VAL 705 Cb 0.52 1.56 -0.16 0.00 -1.47 0.00 0.00 33.84 34.28 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 -0.05 2.08 -0.02 3.34 1.01 -1.09 -1.14 120.40 124.53 2wmi s VAL 706 Ca 0.00 -1.06 0.02 0.00 0.00 0.00 0.00 61.98 60.94 2wmi s VAL 706 Cb 0.00 -1.75 0.00 0.00 0.00 0.00 0.00 36.38 34.63 2wmi s VAL 706 CO 0.00 0.57 -0.08 -0.31 0.00 0.00 0.00 175.10 175.28 2wmi s TYR 707 N -0.19 0.82 0.04 5.22 2.02 -0.61 -2.11 117.35 122.54 2wmi s TYR 707 Ca -0.03 -0.19 -0.14 0.00 -0.37 0.00 0.00 57.07 56.34 2wmi s TYR 707 Cb -0.14 -0.58 0.02 0.00 -0.40 0.00 0.00 41.96 40.86 2wmi s TYR 707 CO 0.03 -0.07 0.31 1.21 -1.57 0.00 0.00 175.55 175.46 2wmi s ASN 708 N 0.12 -0.14 0.02 2.29 3.84 -1.01 -1.01 114.94 119.04 2wmi s ASN 708 Ca -0.02 -0.15 -0.01 0.00 0.21 0.00 0.00 52.86 52.90 2wmi s ASN 708 Cb -0.07 0.35 -0.02 0.00 -0.55 0.00 0.00 41.25 40.97 2wmi s ASN 708 CO 0.00 -0.59 -0.01 -0.36 -2.79 0.00 0.00 177.10 173.34 2wmi s PHE 709 N -2.39 0.24 0.19 0.43 0.08 -1.26 -1.50 117.98 113.77 2wmi s PHE 709 Ca -0.06 -0.49 0.04 0.00 0.12 0.00 0.00 56.93 56.54 2wmi s PHE 709 Cb -0.01 -0.17 -0.05 0.00 -0.57 0.00 0.00 43.02 42.21 2wmi s PHE 709 CO -0.02 -0.20 -0.04 -1.21 -0.10 0.00 0.00 175.22 173.65 2wmi s GLU 710 N -1.43 1.21 0.15 0.44 2.02 -0.65 -4.37 118.70 116.07 2wmi s GLU 710 Ca -0.16 -1.58 -0.30 0.00 0.02 0.00 0.00 54.97 52.95 2wmi s GLU 710 Cb -0.10 -0.60 -0.08 0.00 0.10 0.00 0.00 34.13 33.46 2wmi s GLU 710 CO -0.01 -0.03 1.23 -1.58 0.02 0.00 0.00 175.26 174.89 2wmi s HIS 711 N -3.40 3.39 0.43 1.61 2.46 -1.26 -0.60 115.29 117.92 2wmi s HIS 711 Ca 0.24 1.32 0.15 0.00 0.47 0.00 0.00 55.06 57.24 2wmi s HIS 711 Cb 0.04 -3.47 1.05 0.00 -0.13 0.00 0.00 32.58 30.07 2wmi s HIS 711 CO 0.05 -1.42 1.95 -1.35 -2.47 0.00 0.00 174.74 171.50 2wmi h PRO 712 N 5.80 0.39 -0.37 2.88 0.11 -1.96 -1.47 132.00 137.39 2wmi h PRO 712 Ca -0.44 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.60 2wmi h PRO 712 Cb 1.21 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 2wmi h PRO 712 CO 0.78 0.26 0.01 0.00 -0.21 0.00 0.00 178.00 178.84 2wmi h ALA 713 N 1.67 1.34 0.09 -0.75 0.00 -1.95 0.44 119.26 120.10 2wmi h ALA 713 Ca 0.32 -0.20 -0.31 0.00 0.00 0.00 0.00 54.91 54.72 2wmi h ALA 713 Cb 0.71 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 2wmi h ALA 713 CO -0.09 0.46 -1.64 -0.92 0.00 0.00 0.00 179.25 177.06 2wmi h TYR 714 N 0.55 0.35 0.00 0.00 3.20 -1.75 -3.00 116.97 116.31 2wmi h TYR 714 Ca 0.12 -0.25 -0.16 0.00 3.14 0.00 0.00 58.73 61.57 2wmi h TYR 714 Cb 0.33 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.56 2wmi h TYR 714 CO 0.01 1.64 -0.78 1.79 -1.64 0.00 0.00 178.16 179.19 2wmi h THR 715 N -0.32 1.51 0.00 1.81 1.35 -1.22 -3.40 112.91 112.64 2wmi h THR 715 Ca -0.37 -2.72 -0.14 0.00 -0.55 0.00 0.00 66.41 62.62 2wmi h THR 715 Cb 1.76 2.49 -0.02 0.00 -1.73 0.00 0.00 68.15 70.65 2wmi h THR 715 CO -0.00 0.76 -1.43 -1.22 -0.25 0.00 0.00 175.52 173.38 2wmi n TYR 716 N -3.53 0.00 0.00 4.73 4.01 0.09 -3.52 117.16 118.94 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 0.77 -0.31 0.00 0.00 -0.31 0.00 0.00 39.34 39.49 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 2.46 0.94 3.12 2.72 0.00 -0.89 -1.15 105.19 112.40 2wmi n GLY 717 Ca -0.17 -1.94 -0.09 0.00 0.00 0.00 0.00 46.02 43.82 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 -1.78 0.44 -1.49 1.61 -7.23 -1.15 -4.23 120.40 106.56 2wmi s VAL 718 Ca 0.00 -1.81 -0.12 0.00 -1.81 0.00 0.00 61.98 58.24 2wmi s VAL 718 Cb 0.00 -1.51 0.07 0.00 0.56 0.00 0.00 36.38 35.50 2wmi s VAL 718 CO 0.00 -0.90 0.92 0.59 -0.31 0.00 0.00 175.10 175.40 2wmi n ASN 719 N 0.14 -4.99 -1.01 4.85 3.02 0.29 -0.98 115.26 116.58 2wmi n ASN 719 Ca -0.14 -0.67 -0.13 0.00 -0.03 0.00 0.00 54.58 53.61 2wmi n ASN 719 Cb 0.60 -3.99 -0.06 0.00 -0.61 0.00 0.00 39.78 35.73 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 -2.76 -5.69 -4.63 6.41 3.02 -1.26 -4.87 115.26 105.48 2wmi n ASN 720 Ca 0.02 0.33 -0.30 0.00 -0.03 0.00 0.00 54.58 54.60 2wmi n ASN 720 Cb 0.54 -4.35 -0.09 0.00 -0.61 0.00 0.00 39.78 35.27 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 -3.11 2.37 0.13 3.52 1.02 -0.15 -4.81 119.74 118.70 2wmi s LYS 721 Ca 0.00 -0.91 -0.30 0.00 0.02 0.00 0.00 55.97 54.78 2wmi s LYS 721 Cb 0.00 -2.43 -0.07 0.00 -0.52 0.00 0.00 37.83 34.81 2wmi s LYS 721 CO 0.00 0.53 1.06 -1.21 -0.92 0.00 0.00 175.35 174.82 2wmi s GLU 722 N -2.17 4.61 0.84 1.68 2.02 -1.26 -2.92 118.70 121.50 2wmi s GLU 722 Ca 0.23 1.63 -0.11 0.00 0.02 0.00 0.00 54.97 56.73 2wmi s GLU 722 Cb -0.11 -3.33 0.10 0.00 0.10 0.00 0.00 34.13 30.89 2wmi s GLU 722 CO 0.15 0.07 1.09 -1.54 0.02 0.00 0.00 175.26 175.05 2wmi s SER 723 N 0.12 3.97 0.36 -0.19 1.04 -0.30 -4.84 113.70 113.85 2wmi s SER 723 Ca 0.50 1.53 0.09 0.00 0.48 0.00 0.00 55.95 58.55 2wmi s SER 723 Cb -0.27 -2.23 0.67 0.00 0.10 0.00 0.00 66.02 64.29 2wmi s SER 723 CO 0.32 -2.33 1.83 -0.07 0.98 0.00 0.00 173.24 173.97 2wmi h LEU 724 N -1.34 0.18 -0.23 2.42 3.38 -1.87 0.28 115.31 118.13 2wmi h LEU 724 Ca -0.47 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 57.46 2wmi h LEU 724 Cb 1.27 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.95 2wmi h LEU 724 CO 0.55 0.46 0.11 0.25 0.09 0.00 0.00 178.44 179.89 2wmi h LEU 725 N 0.17 0.16 0.08 1.67 6.46 -1.89 0.20 115.31 122.15 2wmi h LEU 725 Ca 0.03 0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 57.80 2wmi h LEU 725 Cb 0.57 -0.02 0.00 0.00 -0.73 0.00 0.00 40.66 40.48 2wmi h LEU 725 CO 0.04 0.12 -0.04 0.15 -0.62 0.00 0.00 178.44 178.09 2wmi h PHE 726 N 0.23 -0.10 -0.21 1.25 3.57 -1.48 -1.06 116.94 119.14 2wmi h PHE 726 Ca 0.10 -0.00 -0.20 0.00 3.53 0.00 0.00 57.97 61.40 2wmi h PHE 726 Cb 0.03 0.03 0.00 0.00 2.79 0.00 0.00 35.95 38.81 2wmi h PHE 726 CO -0.10 0.06 -0.64 0.66 -2.23 0.00 0.00 178.31 176.06 2wmi h SER 727 N -0.24 0.89 0.75 0.41 4.64 -0.78 0.18 113.55 119.40 2wmi h SER 727 Ca -0.01 -0.52 -0.08 0.00 -0.47 0.00 0.00 61.79 60.71 2wmi h SER 727 Cb 0.21 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.02 2wmi h SER 727 CO 0.02 1.31 -1.30 -0.62 -0.87 0.00 0.00 176.83 175.36 2wmi n GLU 728 N -3.96 0.62 0.02 4.77 -0.58 0.69 -4.14 120.64 118.05 2wmi n GLU 728 Ca -0.05 0.12 -0.01 0.00 -0.42 0.00 0.00 57.16 56.80 2wmi n GLU 728 Cb 0.67 -1.78 -0.00 0.00 -0.57 0.00 0.00 31.44 29.76 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 -2.72 0.73 -0.07 2.62 0.31 -0.45 -4.49 118.33 114.27 2wmi n VAL 729 Ca -0.05 0.24 -0.11 0.00 -0.01 0.00 0.00 64.34 64.41 2wmi n VAL 729 Cb 0.68 -1.43 -0.05 0.00 -0.91 0.00 0.00 33.84 32.13 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 -0.08 1.24 -0.58 2.52 2.04 -1.29 -0.01 117.51 121.35 2wmi h ILE 730 Ca 0.00 -0.83 -0.04 0.00 1.00 0.00 0.00 64.86 64.99 2wmi h ILE 730 Cb 0.08 1.39 -0.03 0.00 -0.74 0.00 0.00 36.82 37.53 2wmi h ILE 730 CO 0.00 0.25 0.21 0.50 0.00 0.00 0.00 178.15 179.11 2wmi h LYS 731 N 0.13 0.88 -0.50 2.37 3.64 -0.86 0.16 116.57 122.40 2wmi h LYS 731 Ca 0.06 -0.17 -0.04 0.00 -1.27 0.00 0.00 60.65 59.22 2wmi h LYS 731 Cb 0.37 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 2wmi h LYS 731 CO 0.01 0.78 0.15 0.93 -2.27 0.00 0.00 179.45 179.05 2wmi h GLU 732 N 0.81 0.77 -0.46 1.90 4.39 -1.68 -0.39 114.58 119.92 2wmi h GLU 732 Ca 0.19 -0.17 -0.05 0.00 0.34 0.00 0.00 59.36 59.67 2wmi h GLU 732 Cb 0.24 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.76 2wmi h GLU 732 CO -0.01 0.73 0.09 0.35 -1.16 0.00 0.00 179.01 179.00 2wmi h PHE 733 N 0.67 0.79 -0.55 4.33 3.57 -0.73 -1.39 116.94 123.63 2wmi h PHE 733 Ca 0.16 -0.11 -0.09 0.00 3.53 0.00 0.00 57.97 61.47 2wmi h PHE 733 Cb 0.28 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.78 2wmi h PHE 733 CO 0.02 0.74 -0.00 0.35 -2.23 0.00 0.00 178.31 177.18 2wmi h PHE 734 N 0.62 1.07 -0.64 0.41 3.57 -0.59 -1.77 116.94 119.61 2wmi h PHE 734 Ca 0.14 -0.19 0.06 0.00 3.53 0.00 0.00 57.97 61.51 2wmi h PHE 734 Cb 0.36 -0.28 -0.05 0.00 2.79 0.00 0.00 35.95 38.77 2wmi h PHE 734 CO 0.02 0.97 0.35 0.00 -2.23 0.00 0.00 178.31 177.42 2wmi h ARG 735 N 0.86 0.62 -0.42 1.11 3.08 -1.02 -2.22 114.38 116.39 2wmi h ARG 735 Ca 0.16 -0.04 0.08 0.00 0.07 0.00 0.00 59.98 60.25 2wmi h ARG 735 Cb 0.54 -0.14 -0.07 0.00 0.08 0.00 0.00 29.97 30.39 2wmi h ARG 735 CO 0.03 0.41 -0.00 -0.92 -1.07 0.00 0.00 179.97 178.42 2wmi h TYR 736 N 0.64 -0.03 0.00 3.04 3.20 -0.72 -1.11 116.97 122.00 2wmi h TYR 736 Ca 0.29 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.18 2wmi h TYR 736 Cb 0.20 0.08 -0.00 0.00 1.54 0.00 0.00 36.73 38.54 2wmi h TYR 736 CO -0.09 -0.09 -0.05 -0.39 -1.64 0.00 0.00 178.16 175.91 2wmi h VAL 737 N 0.11 0.11 -0.05 1.81 -1.51 -1.04 0.22 116.25 115.89 2wmi h VAL 737 Ca 0.21 -0.80 -0.02 0.00 -1.23 0.00 0.00 66.70 64.86 2wmi h VAL 737 Cb 0.30 1.72 -0.00 0.00 -2.13 0.00 0.00 31.29 31.18 2wmi h VAL 737 CO -0.35 0.05 -0.04 0.40 -1.23 0.00 0.00 177.57 176.40 2wmi h ILE 738 N 0.00 1.36 0.00 7.19 2.04 -1.11 -3.19 117.51 123.80 2wmi h ILE 738 Ca -0.00 -1.15 -0.11 0.00 1.00 0.00 0.00 64.86 64.61 2wmi h ILE 738 Cb 0.72 2.02 -0.02 0.00 -0.74 0.00 0.00 36.82 38.80 2wmi h ILE 738 CO 0.01 0.31 -0.50 0.00 0.00 0.00 0.00 178.15 177.96 2wmi h ALA 739 N 0.57 1.01 -2.94 1.87 0.00 -0.82 -3.35 119.26 115.60 2wmi h ALA 739 Ca 0.01 -0.46 -0.61 0.00 0.00 0.00 0.00 54.91 53.85 2wmi h ALA 739 Cb 0.52 -0.08 -0.40 0.00 0.00 0.00 0.00 17.79 17.83 2wmi h ALA 739 CO 0.01 0.63 -0.73 -1.01 0.00 0.00 0.00 179.25 178.15 2wmi s HIS 740 N -3.64 2.35 0.36 0.00 3.76 0.72 -5.10 115.29 113.74 2wmi s HIS 740 Ca -0.01 -2.72 -0.27 0.00 -0.15 0.00 0.00 55.06 51.92 2wmi s HIS 740 Cb 0.12 -2.01 -0.12 0.00 1.11 0.00 0.00 32.58 31.68 2wmi s HIS 740 CO 0.73 -0.72 1.23 -2.30 -0.85 0.00 0.00 174.74 172.82 2wmi n PRO 741 N 2.96 1.93 -0.98 8.40 -0.02 -1.21 -4.45 135.00 141.64 2wmi n PRO 741 Ca 0.15 0.68 -0.34 0.00 -2.02 0.00 0.00 63.50 61.97 2wmi n PRO 741 Cb 0.37 -2.26 0.11 0.00 -0.02 0.00 0.00 33.50 31.70 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 0.13 -1.51 -1.77 3.55 0.00 -1.26 -4.88 120.51 114.77 2wmi n ALA 742 Ca 0.06 -0.44 -0.40 0.00 0.00 0.00 0.00 53.44 52.65 2wmi n ALA 742 Cb 0.37 -1.96 0.00 0.00 0.00 0.00 0.00 19.45 17.86 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 -3.63 3.96 0.85 0.00 0.04 -1.26 -4.86 135.00 130.10 2wmi s PRO 743 Ca 0.64 2.49 -0.11 0.00 0.04 0.00 0.00 61.00 64.05 2wmi s PRO 743 Cb -0.27 -2.85 0.10 0.00 0.04 0.00 0.00 34.50 31.52 2wmi s PRO 743 CO 0.60 -0.62 1.09 -1.54 0.04 0.00 0.00 177.00 176.57 2wmi s SER 744 N -0.32 3.89 0.26 6.66 1.04 -1.26 -4.39 113.70 119.58 2wmi s SER 744 Ca 0.56 1.55 -0.03 0.00 0.48 0.00 0.00 55.95 58.52 2wmi s SER 744 Cb -0.45 -2.25 0.44 0.00 0.10 0.00 0.00 66.02 63.86 2wmi s SER 744 CO 0.60 -2.38 1.82 0.50 0.98 0.00 0.00 173.24 174.75 2wmi h LYS 745 N -1.37 0.82 -0.25 4.02 3.64 -1.92 -0.19 116.57 121.31 2wmi h LYS 745 Ca -0.48 -0.05 0.06 0.00 -1.27 0.00 0.00 60.65 58.92 2wmi h LYS 745 Cb 1.27 -0.19 -0.06 0.00 -0.41 0.00 0.00 32.23 32.84 2wmi h LYS 745 CO 0.54 0.54 -0.16 1.05 -2.27 0.00 0.00 179.45 179.16 2wmi h GLU 746 N 0.85 -0.13 -0.15 1.90 4.11 -1.99 -0.44 114.58 118.73 2wmi h GLU 746 Ca 0.43 0.01 -0.06 0.00 0.07 0.00 0.00 59.36 59.80 2wmi h GLU 746 Cb 0.40 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 2wmi h GLU 746 CO -0.26 -0.09 -0.15 -0.22 0.07 0.00 0.00 179.01 178.37 2wmi h LYS 747 N -0.14 0.36 -0.63 1.06 3.64 -1.74 -1.35 116.57 117.77 2wmi h LYS 747 Ca 0.14 -0.19 0.05 0.00 -1.27 0.00 0.00 60.65 59.37 2wmi h LYS 747 Cb 0.35 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.13 2wmi h LYS 747 CO -0.34 0.74 0.36 0.28 -2.27 0.00 0.00 179.45 178.22 2wmi h VAL 748 N -0.01 1.00 -0.59 2.00 2.07 -0.91 -1.82 116.25 118.00 2wmi h VAL 748 Ca 0.02 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 2wmi h VAL 748 Cb 0.68 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 2wmi h VAL 748 CO 0.04 0.12 0.28 0.25 0.02 0.00 0.00 177.57 178.28 2wmi h LEU 749 N 0.68 0.78 -0.78 2.57 5.85 -0.99 -1.50 115.31 121.93 2wmi h LEU 749 Ca 0.27 -0.13 0.06 0.00 0.84 0.00 0.00 57.88 58.91 2wmi h LEU 749 Cb 0.12 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 40.89 2wmi h LEU 749 CO -0.15 0.69 0.47 -0.33 -0.34 0.00 0.00 178.44 178.78 2wmi h GLU 750 N 0.81 0.84 0.00 1.25 5.08 -0.92 -2.85 114.58 118.78 2wmi h GLU 750 Ca 0.20 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 2wmi h GLU 750 Cb 0.12 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.18 2wmi h GLU 750 CO -0.03 0.56 0.00 -0.44 -1.00 0.00 0.00 179.01 178.10 2wmi h ASP 751 N 0.87 0.00 -3.16 1.42 5.19 -0.92 -3.45 116.42 116.37 2wmi h ASP 751 Ca 0.34 0.00 -0.54 0.00 -0.62 0.00 0.00 57.03 56.21 2wmi h ASP 751 Cb 0.15 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.66 2wmi h ASP 751 CO -0.17 0.00 0.60 -0.89 -3.12 0.00 0.00 179.24 175.67 2wmi s THR 752 N -3.31 4.11 -0.16 0.35 2.01 -0.60 -4.91 115.64 113.13 2wmi s THR 752 Ca 0.06 1.49 0.12 0.00 0.31 0.00 0.00 61.69 63.68 2wmi s THR 752 Cb 0.09 -3.96 -0.18 0.00 0.01 0.00 0.00 72.50 68.45 2wmi s THR 752 CO 0.58 0.08 0.02 0.29 -0.69 0.00 0.00 174.62 174.89 2wmi n LYS 753 N 4.34 1.30 -4.75 4.92 4.76 -1.26 -4.42 118.16 123.05 2wmi n LYS 753 Ca 0.10 0.01 -0.26 0.00 -2.87 0.00 0.00 58.31 55.29 2wmi n LYS 753 Cb 0.46 -1.40 -0.16 0.00 -1.84 0.00 0.00 35.03 32.09 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 -2.38 1.34 -0.14 -0.18 1.01 -1.26 -1.35 120.40 117.44 2wmi s VAL 754 Ca -0.11 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.24 2wmi s VAL 754 Cb 0.05 -1.18 0.02 0.00 0.00 0.00 0.00 36.38 35.27 2wmi s VAL 754 CO 0.62 0.40 -0.13 0.12 0.00 0.00 0.00 175.10 176.10 2wmi s PHE 755 N 0.32 2.01 0.01 5.22 5.36 0.19 -4.19 117.98 126.90 2wmi s PHE 755 Ca -0.10 -1.11 -0.22 0.00 -0.96 0.00 0.00 56.93 54.55 2wmi s PHE 755 Cb -0.14 -1.51 -0.05 0.00 -0.34 0.00 0.00 43.02 40.98 2wmi s PHE 755 CO 0.03 -0.63 0.64 0.42 -1.46 0.00 0.00 175.22 174.22 2wmi s ILE 756 N 1.54 4.85 -0.24 3.12 1.01 0.52 -0.84 121.20 131.15 2wmi s ILE 756 Ca 0.05 1.36 -0.00 0.00 0.00 0.00 0.00 60.65 62.05 2wmi s ILE 756 Cb -0.13 -3.98 0.03 0.00 0.01 0.00 0.00 42.46 38.39 2wmi s ILE 756 CO -0.10 0.41 -0.09 -2.28 0.00 0.00 0.00 174.94 172.88 2wmi s HIS 757 N -0.18 3.08 0.00 3.97 5.65 -0.20 -1.49 115.29 126.12 2wmi s HIS 757 Ca 0.33 -1.75 0.00 0.00 0.25 0.00 0.00 55.06 53.89 2wmi s HIS 757 Cb -0.19 -2.01 0.00 0.00 -1.18 0.00 0.00 32.58 29.20 2wmi s HIS 757 CO 0.19 -0.78 0.00 0.41 -0.65 0.00 0.00 174.74 173.91 2wmi n GLY 758 N 4.61 0.56 3.50 1.59 0.00 -0.56 -0.86 105.19 114.03 2wmi n GLY 758 Ca -0.16 -1.50 -0.42 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 6.13 0.43 1.61 1.01 -1.26 -3.72 116.67 120.86 2wmi s ASP 759 Ca 0.00 -0.59 0.18 0.00 0.71 0.00 0.00 52.55 52.85 2wmi s ASP 759 Cb 0.00 -2.18 1.09 0.00 1.01 0.00 0.00 42.92 42.85 2wmi s ASP 759 CO 0.00 -0.40 1.87 1.88 0.21 0.00 0.00 175.17 178.73 2wmi h TYR 760 N 8.58 0.51 -0.10 4.23 0.05 -1.95 -2.12 116.97 126.16 2wmi h TYR 760 Ca -0.29 0.02 0.03 0.00 0.05 0.00 0.00 58.73 58.54 2wmi h TYR 760 Cb 1.13 -0.16 -0.00 0.00 1.01 0.00 0.00 36.73 38.71 2wmi h TYR 760 CO 0.62 0.15 0.15 0.66 -1.05 0.00 0.00 178.16 178.68 2wmi h SER 761 N 0.39 0.00 0.81 3.88 4.64 -1.92 0.14 113.55 121.49 2wmi h SER 761 Ca 0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.77 2wmi h SER 761 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 2wmi h SER 761 CO -0.16 0.00 -0.47 0.59 -0.87 0.00 0.00 176.83 175.93 2wmi n ASN 762 N -3.60 0.56 -1.80 4.97 3.02 -0.80 -4.24 115.26 113.37 2wmi n ASN 762 Ca -0.00 0.08 -0.20 0.00 -0.03 0.00 0.00 54.58 54.43 2wmi n ASN 762 Cb 0.25 0.04 0.06 0.00 -0.61 0.00 0.00 39.78 39.51 2wmi n ASN 762 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2wmi n LYS 763 N -1.85 3.21 -0.72 3.52 4.76 0.29 -4.94 118.16 122.42 2wmi n LYS 763 Ca 0.05 -3.96 0.00 0.00 -2.87 0.00 0.00 58.31 51.52 2wmi n LYS 763 Cb 0.39 -2.17 0.00 0.00 -1.84 0.00 0.00 35.03 31.41 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 -0.80 0.69 7.00 0.72 0.00 -1.15 -4.05 105.19 107.61 2wmi n GLY 764 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.43 2wmi n GLY 764 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2wmi n ASN 765 N 0.00 0.00 0.24 1.61 2.85 -0.04 -1.81 115.26 118.12 2wmi n ASN 765 Ca 0.00 0.00 0.18 0.00 -0.11 0.00 0.00 54.58 54.65 2wmi n ASN 765 Cb 0.00 0.00 0.82 0.00 1.24 0.00 0.00 39.78 41.84 2wmi n ASN 765 CO 0.00 0.00 0.00 1.23 -2.11 0.00 0.00 177.26 176.38 2wmi h GLY 766 N 0.00 0.00 2.00 8.20 0.00 -1.85 0.63 103.07 112.05 2wmi h GLY 766 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2wmi h GLY 766 CO 0.00 0.00 -0.07 0.50 0.00 0.00 0.00 176.54 176.97 2wmi h LYS 767 N 0.00 0.00 -1.02 4.80 1.57 -1.58 -3.00 116.57 117.34 2wmi h LYS 767 Ca 0.08 0.00 0.25 0.00 -1.87 0.00 0.00 60.65 59.11 2wmi h LYS 767 Cb 0.74 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 32.95 2wmi h LYS 767 CO -0.00 0.07 0.64 0.35 -0.57 0.00 0.00 179.45 179.94 2wmi h PHE 768 N 0.00 0.82 -0.01 -1.35 3.57 -1.00 -2.73 116.94 116.24 2wmi h PHE 768 Ca -0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 2wmi h PHE 768 Cb 0.17 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 38.67 2wmi h PHE 768 CO 0.00 0.08 -0.61 1.19 -2.23 0.00 0.00 178.31 176.74 2wmi n PHE 769 N -4.73 0.00 -1.85 0.41 3.72 -1.13 -4.81 117.46 109.07 2wmi n PHE 769 Ca 0.26 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.24 2wmi n PHE 769 Cb 0.80 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.31 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 -2.48 2.53 -0.41 -4.37 1.01 -1.03 -0.86 120.40 114.79 2wmi s VAL 770 Ca 0.13 0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.39 2wmi s VAL 770 Cb 0.16 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.36 2wmi s VAL 770 CO 0.62 0.01 0.00 0.59 0.00 0.00 0.00 175.10 176.32 2wmi n ASN 771 N 4.56 -4.96 -0.02 3.32 5.03 0.81 -4.83 115.26 119.17 2wmi n ASN 771 Ca 0.15 0.09 -0.02 0.00 0.87 0.00 0.00 54.58 55.68 2wmi n ASN 771 Cb 0.38 -2.80 -0.01 0.00 -1.02 0.00 0.00 39.78 36.34 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 -2.39 0.42 -0.70 2.41 0.31 -0.04 -4.93 118.33 113.40 2wmi n VAL 772 Ca -0.04 0.34 0.00 0.00 -0.01 0.00 0.00 64.34 64.63 2wmi n VAL 772 Cb 0.38 -1.62 0.00 0.00 -0.91 0.00 0.00 33.84 31.68 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 -3.00 0.57 -4.34 4.52 0.23 -0.42 -4.86 115.26 107.96 2wmi n ASN 773 Ca -0.03 -1.27 -0.27 0.00 -0.53 0.00 0.00 54.58 52.48 2wmi n ASN 773 Cb 0.12 0.00 -0.13 0.00 -2.08 0.00 0.00 39.78 37.69 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 -0.27 2.00 -1.72 5.53 -4.23 -0.93 -0.69 115.64 115.32 2wmi s THR 774 Ca 0.00 -1.62 0.26 0.00 -1.18 0.00 0.00 61.69 59.16 2wmi s THR 774 Cb 0.00 -1.78 0.26 0.00 1.34 0.00 0.00 72.50 72.32 2wmi s THR 774 CO 0.00 0.05 1.57 -0.90 -0.54 0.00 0.00 174.62 174.80 2wmi n ASP 775 N 1.09 0.98 -3.67 3.99 5.75 -1.26 -0.13 116.55 123.30 2wmi n ASP 775 Ca -0.18 -0.85 -0.04 0.00 -0.01 0.00 0.00 54.79 53.71 2wmi n ASP 775 Cb 0.53 0.13 -0.01 0.00 -1.03 0.00 0.00 41.12 40.74 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 -2.52 0.97 0.18 0.11 1.70 -1.26 -4.83 118.95 113.29 2wmi s ARG 776 Ca 0.24 -0.50 -0.08 0.00 -0.47 0.00 0.00 55.73 54.92 2wmi s ARG 776 Cb 0.19 0.36 0.06 0.00 -0.57 0.00 0.00 34.95 34.99 2wmi s ARG 776 CO 0.53 -0.44 1.55 1.49 -1.08 0.00 0.00 175.30 177.34 2wmi h GLU 777 N 2.00 0.86 -3.16 3.89 4.81 -1.93 -3.39 114.58 117.66 2wmi h GLU 777 Ca -0.24 -0.41 -0.77 0.00 -0.13 0.00 0.00 59.36 57.81 2wmi h GLU 777 Cb 1.23 -0.01 -0.30 0.00 0.63 0.00 0.00 28.75 30.30 2wmi h GLU 777 CO 0.27 1.05 0.43 1.04 -0.73 0.00 0.00 179.01 181.06 2wmi n GLN 778 N -4.07 3.71 -3.74 1.92 6.02 -1.26 -4.21 117.38 115.73 2wmi n GLN 778 Ca -0.01 -4.52 -0.13 0.00 -0.01 0.00 0.00 57.00 52.33 2wmi n GLN 778 Cb 0.50 -2.49 -0.09 0.00 1.02 0.00 0.00 30.24 29.18 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 -2.00 0.03 -1.81 5.09 -1.32 -1.26 -5.02 115.64 109.35 2wmi s THR 779 Ca 0.31 -0.29 0.19 0.00 -1.21 0.00 0.00 61.69 60.70 2wmi s THR 779 Cb -0.02 -0.60 0.60 0.00 -1.51 0.00 0.00 72.50 70.97 2wmi s THR 779 CO -0.01 -0.16 1.50 -0.81 -2.21 0.00 0.00 174.62 172.94 2wmi n PRO 780 N 1.80 2.75 -4.18 7.08 -0.04 -1.26 -4.73 135.00 136.42 2wmi n PRO 780 Ca -0.19 -2.43 -0.24 0.00 -0.04 0.00 0.00 63.50 60.60 2wmi n PRO 780 Cb 0.57 -1.59 -0.07 0.00 -0.04 0.00 0.00 33.50 32.36 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 -1.16 3.12 0.18 1.53 1.43 -1.26 -4.74 118.68 117.77 2wmi s LEU 781 Ca 0.45 -0.97 0.09 0.00 -1.03 0.00 0.00 54.13 52.67 2wmi s LEU 781 Cb 0.25 -1.50 -0.04 0.00 0.03 0.00 0.00 46.19 44.92 2wmi s LEU 781 CO 0.28 -0.39 -0.08 -0.31 0.23 0.00 0.00 176.35 176.09 2wmi s TYR 782 N -2.53 2.67 -0.33 0.29 2.02 -1.26 -4.70 117.35 113.52 2wmi s TYR 782 Ca 0.38 -0.20 0.22 0.00 -0.37 0.00 0.00 57.07 57.10 2wmi s TYR 782 Cb 0.01 -1.31 -0.25 0.00 -0.40 0.00 0.00 41.96 40.01 2wmi s TYR 782 CO 0.22 0.51 0.67 0.00 -1.57 0.00 0.00 175.55 175.37 2wmi n MET 783 N 0.02 0.47 -3.76 -0.62 0.00 0.13 -4.61 117.12 108.75 2wmi n MET 783 Ca -0.11 -0.12 -0.13 0.00 0.00 0.00 0.00 57.70 57.35 2wmi n MET 783 Cb 0.55 -1.54 -0.09 0.00 0.00 0.00 0.00 33.22 32.14 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 -3.36 0.04 -2.32 3.17 -1.32 -1.25 -3.71 115.64 106.89 2wmi s THR 784 Ca -0.03 -0.32 0.22 0.00 -1.21 0.00 0.00 61.69 60.35 2wmi s THR 784 Cb 0.14 -0.56 0.47 0.00 -1.51 0.00 0.00 72.50 71.04 2wmi s THR 784 CO 0.88 -0.18 1.44 0.61 -2.21 0.00 0.00 174.62 175.17 2wmi n GLY 785 N 1.83 1.57 0.24 6.08 0.00 -1.01 -4.65 105.19 109.24 2wmi n GLY 785 Ca -0.19 -0.68 0.02 0.00 0.00 0.00 0.00 46.02 45.17 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 3.92 0.22 -0.65 1.61 2.43 -1.94 -0.31 114.38 119.66 2wmi h ARG 786 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2wmi h ARG 786 Cb 0.87 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.37 2wmi h ARG 786 CO 0.00 0.15 0.00 0.66 -1.51 0.00 0.00 179.97 179.27 2wmi n TYR 787 N -5.17 1.11 0.00 2.20 4.01 -1.26 -4.83 117.16 113.21 2wmi n TYR 787 Ca 0.10 -0.49 0.00 0.00 -0.16 0.00 0.00 57.90 57.35 2wmi n TYR 787 Cb 0.36 -0.11 0.00 0.00 -0.31 0.00 0.00 39.34 39.28 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 1.21 0.00 -4.32 7.72 6.94 -0.13 -3.78 115.26 122.90 2wmi n ASN 788 Ca 0.22 0.00 -0.36 0.00 -0.02 0.00 0.00 54.58 54.43 2wmi n ASN 788 Cb 0.68 0.00 -0.13 0.00 -2.36 0.00 0.00 39.78 37.97 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 3.64 -0.04 3.53 1.01 -1.26 -4.91 120.40 122.38 2wmi s VAL 789 Ca 0.00 -0.62 -0.30 0.00 0.00 0.00 0.00 61.98 61.06 2wmi s VAL 789 Cb 0.00 -2.79 -0.05 0.00 0.00 0.00 0.00 36.38 33.55 2wmi s VAL 789 CO 0.00 0.24 1.40 -0.63 0.00 0.00 0.00 175.10 176.11 2wmi s ILE 790 N 1.48 3.83 0.40 2.22 1.01 -1.25 -4.99 121.20 123.90 2wmi s ILE 790 Ca 0.04 1.15 -0.23 0.00 0.00 0.00 0.00 60.65 61.61 2wmi s ILE 790 Cb -0.16 -3.74 -0.11 0.00 0.01 0.00 0.00 42.46 38.47 2wmi s ILE 790 CO -0.00 -0.03 0.95 -2.16 0.00 0.00 0.00 174.94 173.70 2wmi s PRO 791 N 2.81 4.32 0.05 2.79 0.04 -1.26 -4.60 135.00 139.15 2wmi s PRO 791 Ca 0.63 1.20 -0.03 0.00 0.04 0.00 0.00 61.00 62.84 2wmi s PRO 791 Cb -0.30 -2.37 -0.03 0.00 0.04 0.00 0.00 34.50 31.85 2wmi s PRO 791 CO 0.25 0.05 0.02 0.00 0.04 0.00 0.00 177.00 177.35 2wmi s ALA 792 N -2.00 0.28 0.09 8.56 0.00 -0.94 -0.36 121.76 127.40 2wmi s ALA 792 Ca 0.59 -0.98 0.06 0.00 0.00 0.00 0.00 51.96 51.63 2wmi s ALA 792 Cb -0.12 0.29 -0.03 0.00 0.00 0.00 0.00 23.12 23.26 2wmi s ALA 792 CO 0.17 -0.37 -0.15 0.96 0.00 0.00 0.00 175.76 176.36 2wmi s ILE 793 N -3.54 1.28 0.84 0.00 -4.36 -0.55 -3.63 121.20 111.23 2wmi s ILE 793 Ca 0.03 -1.45 -0.13 0.00 -0.26 0.00 0.00 60.65 58.84 2wmi s ILE 793 Cb 0.05 -1.27 0.05 0.00 1.25 0.00 0.00 42.46 42.54 2wmi s ILE 793 CO -0.09 -0.24 0.83 -2.65 0.24 0.00 0.00 174.94 173.03 2wmi n PRO 794 N 1.07 0.02 0.23 0.37 -0.02 -1.26 -1.49 135.00 133.91 2wmi n PRO 794 Ca -0.20 0.07 0.08 0.00 -2.02 0.00 0.00 63.50 61.43 2wmi n PRO 794 Cb 0.55 -2.14 0.56 0.00 -0.02 0.00 0.00 33.50 32.45 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 -1.06 0.00 2.00 -1.23 0.00 -1.89 -2.44 103.07 98.45 2wmi h GLY 795 Ca -0.45 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.87 2wmi h GLY 795 CO 0.41 0.00 -0.03 -0.24 0.00 0.00 0.00 176.54 176.68 2wmi h VAL 796 N 0.00 0.49 -3.67 4.60 3.04 -1.92 -3.44 116.25 115.34 2wmi h VAL 796 Ca -0.00 -0.15 -0.50 0.00 -1.01 0.00 0.00 66.70 65.04 2wmi h VAL 796 Cb 0.42 1.10 -0.03 0.00 -2.01 0.00 0.00 31.29 30.77 2wmi h VAL 796 CO 0.03 0.03 0.10 -0.76 -1.01 0.00 0.00 177.57 175.96 2wmi s LEU 797 N -7.43 4.16 0.35 3.16 1.43 -0.92 -5.04 118.68 114.40 2wmi s LEU 797 Ca -0.04 1.33 -0.05 0.00 -1.03 0.00 0.00 54.13 54.34 2wmi s LEU 797 Cb 0.14 -3.91 -0.05 0.00 0.03 0.00 0.00 46.19 42.41 2wmi s LEU 797 CO 0.54 -0.12 0.63 -0.54 0.23 0.00 0.00 176.35 177.09 2wmi s LYS 798 N -2.63 3.61 -0.61 1.70 1.02 -1.26 -4.96 119.74 116.61 2wmi s LYS 798 Ca 0.50 0.05 0.06 0.00 0.02 0.00 0.00 55.97 56.59 2wmi s LYS 798 Cb -0.12 -2.56 0.20 0.00 -0.52 0.00 0.00 37.83 34.83 2wmi s LYS 798 CO 0.19 0.08 0.56 0.25 -0.92 0.00 0.00 175.35 175.51 2wmi n THR 799 N -1.40 1.18 -1.07 2.17 -2.24 -1.26 -5.16 114.28 106.50 2wmi n THR 799 Ca -0.01 -4.67 -0.08 0.00 -2.27 0.00 0.00 64.05 57.02 2wmi n THR 799 Cb 0.55 -2.05 -0.03 0.00 -2.10 0.00 0.00 70.33 66.69 2wmi n THR 799 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2wmi n ASP 800 N 1.66 -3.89 -0.44 3.42 8.00 -1.26 -5.15 116.55 118.89 2wmi n ASP 800 Ca 0.25 0.19 0.00 0.00 0.71 0.00 0.00 54.79 55.94 2wmi n ASP 800 Cb 0.41 -3.03 0.00 0.00 -0.02 0.00 0.00 41.12 38.48 2wmi n ASP 800 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2wmi n ILE 813 N -1.67 -1.79 -3.04 0.53 5.41 -1.26 -5.12 119.36 112.42 2wmi n ILE 813 Ca -0.08 0.00 -0.41 0.00 1.00 0.00 0.00 62.75 63.26 2wmi n ILE 813 Cb 0.41 -1.79 -0.06 0.00 -0.71 0.00 0.00 39.64 37.49 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 -3.04 4.04 -0.37 0.38 -1.52 -0.45 -4.96 119.66 113.73 2wmi s GLN 814 Ca 0.00 0.55 -0.25 0.00 -1.95 0.00 0.00 55.36 53.71 2wmi s GLN 814 Cb 0.00 -3.69 0.01 0.00 -0.22 0.00 0.00 33.01 29.12 2wmi s GLN 814 CO 0.00 -0.53 0.87 0.42 -0.25 0.00 0.00 175.29 175.80 2wmi s ILE 815 N 2.68 4.64 -0.09 1.08 1.01 -1.26 -0.64 121.20 128.62 2wmi s ILE 815 Ca 0.29 1.05 0.04 0.00 0.00 0.00 0.00 60.65 62.03 2wmi s ILE 815 Cb -0.15 -4.29 -0.01 0.00 0.01 0.00 0.00 42.46 38.02 2wmi s ILE 815 CO 0.10 -0.51 -0.23 -0.54 0.00 0.00 0.00 174.94 173.76 2wmi s LYS 816 N 3.34 2.88 0.32 2.79 -0.14 -0.02 -4.96 119.74 123.94 2wmi s LYS 816 Ca 0.35 -0.86 -0.29 0.00 -1.36 0.00 0.00 55.97 53.81 2wmi s LYS 816 Cb -0.12 -2.28 -0.10 0.00 -1.68 0.00 0.00 37.83 33.64 2wmi s LYS 816 CO 0.18 0.27 1.23 -1.21 -0.76 0.00 0.00 175.35 175.06 2wmi s GLU 817 N 0.11 4.43 0.60 1.68 0.41 -1.26 -1.03 118.70 123.65 2wmi s GLU 817 Ca -0.11 2.05 0.32 0.00 -0.41 0.00 0.00 54.97 56.82 2wmi s GLU 817 Cb -0.16 -3.08 1.89 0.00 -1.78 0.00 0.00 34.13 30.99 2wmi s GLU 817 CO 0.06 -0.06 2.24 0.97 -0.49 0.00 0.00 175.26 177.98 2wmi h ILE 818 N 3.01 0.42 -0.00 -1.63 2.10 -1.37 -1.57 117.51 118.46 2wmi h ILE 818 Ca -0.48 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.46 2wmi h ILE 818 Cb 1.22 0.96 0.00 0.00 -1.09 0.00 0.00 36.82 37.91 2wmi h ILE 818 CO 0.66 0.00 -0.08 0.35 -1.08 0.00 0.00 178.15 178.00 2wmi n THR 819 N -3.70 0.00 -1.61 2.19 -2.24 -1.26 -4.69 114.28 102.97 2wmi n THR 819 Ca -0.02 -0.08 -0.33 0.00 -2.27 0.00 0.00 64.05 61.35 2wmi n THR 819 Cb 0.13 -0.06 0.07 0.00 -2.10 0.00 0.00 70.33 68.37 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 -2.32 4.76 0.40 3.42 1.04 -0.59 -4.90 113.70 115.51 2wmi s SER 820 Ca 0.34 2.09 0.12 0.00 0.48 0.00 0.00 55.95 58.97 2wmi s SER 820 Cb 0.21 -2.56 0.94 0.00 0.10 0.00 0.00 66.02 64.70 2wmi s SER 820 CO 0.43 -1.87 1.93 -0.65 0.98 0.00 0.00 173.24 174.06 2wmi h PRO 821 N -0.18 0.52 -0.13 4.02 0.11 -1.91 -2.06 132.00 132.37 2wmi h PRO 821 Ca -0.47 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 65.65 2wmi h PRO 821 Cb 1.26 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 2wmi h PRO 821 CO 0.52 0.35 0.15 0.93 -0.21 0.00 0.00 178.00 179.74 2wmi h GLU 822 N 0.54 0.00 -0.39 1.05 3.07 -1.90 -2.05 114.58 114.89 2wmi h GLU 822 Ca 0.36 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.22 2wmi h GLU 822 Cb 0.66 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.57 2wmi h GLU 822 CO -0.13 0.00 0.00 1.19 -1.40 0.00 0.00 179.01 178.67 2wmi n PHE 823 N -3.78 0.51 0.29 4.33 3.72 -0.77 -1.56 117.46 120.20 2wmi n PHE 823 Ca 0.00 -0.33 0.18 0.00 -0.05 0.00 0.00 57.45 57.25 2wmi n PHE 823 Cb 0.26 -0.01 0.84 0.00 -0.94 0.00 0.00 39.48 39.63 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 3.46 0.00 -5.17 4.37 4.64 -1.42 -3.46 113.55 115.97 2wmi h SER 824 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 2wmi h SER 824 Cb 0.85 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.85 2wmi h SER 824 CO 0.00 0.03 -0.04 -0.94 -0.87 0.00 0.00 176.83 175.00 2wmi s SER 825 N -5.62 -0.14 0.11 4.97 1.04 -1.26 -5.04 113.70 107.75 2wmi s SER 825 Ca -0.01 -0.78 -0.24 0.00 0.48 0.00 0.00 55.95 55.40 2wmi s SER 825 Cb 0.11 0.60 -0.08 0.00 0.10 0.00 0.00 66.02 66.75 2wmi s SER 825 CO 0.51 -1.14 1.68 0.74 0.98 0.00 0.00 173.24 176.01 2wmi h THR 826 N 2.22 0.65 -0.38 2.02 2.02 -1.91 -1.11 112.91 116.42 2wmi h THR 826 Ca -0.26 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 66.90 2wmi h THR 826 Cb 1.25 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 68.29 2wmi h THR 826 CO 0.34 0.00 0.14 1.56 0.37 0.00 0.00 175.52 177.94 2wmi h GLN 827 N -0.25 0.58 -0.50 6.66 1.08 -1.96 -2.48 115.11 118.24 2wmi h GLN 827 Ca 0.04 -0.11 0.07 0.00 -1.45 0.00 0.00 58.65 57.20 2wmi h GLN 827 Cb 0.30 -0.09 -0.06 0.00 -0.05 0.00 0.00 27.48 27.58 2wmi h GLN 827 CO -0.13 0.56 0.17 0.00 -0.95 0.00 0.00 178.83 178.49 2wmi h ALA 828 N 0.99 0.61 -0.34 3.87 0.00 -1.77 -0.54 119.26 122.07 2wmi h ALA 828 Ca 0.13 0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.16 2wmi h ALA 828 Cb 0.21 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 2wmi h ALA 828 CO -0.01 -0.22 0.02 0.00 0.00 0.00 0.00 179.25 179.04 2wmi h ARG 829 N 0.35 0.12 -0.25 0.00 3.08 -0.15 -1.65 114.38 115.88 2wmi h ARG 829 Ca 0.24 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.25 2wmi h ARG 829 Cb 0.26 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 2wmi h ARG 829 CO -0.25 0.08 0.00 0.87 -1.07 0.00 0.00 179.97 179.60 2wmi h LYS 830 N 0.13 0.44 -0.32 0.04 1.57 -0.98 -0.91 116.57 116.54 2wmi h LYS 830 Ca 0.16 -0.14 0.07 0.00 -1.87 0.00 0.00 60.65 58.88 2wmi h LYS 830 Cb 0.21 -0.04 -0.07 0.00 0.08 0.00 0.00 32.23 32.41 2wmi h LYS 830 CO -0.26 0.61 -0.17 0.93 -0.57 0.00 0.00 179.45 179.99 2wmi h GLU 831 N 0.21 -0.12 -0.18 3.15 5.08 -0.93 0.62 114.58 122.42 2wmi h GLU 831 Ca 0.07 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 2wmi h GLU 831 Cb 0.41 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 2wmi h GLU 831 CO 0.01 -0.08 0.05 -0.92 -1.00 0.00 0.00 179.01 177.08 2wmi h TYR 832 N -0.12 0.30 -0.38 4.33 3.20 -1.21 -2.98 116.97 120.11 2wmi h TYR 832 Ca 0.17 -0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.90 2wmi h TYR 832 Cb 0.38 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.54 2wmi h TYR 832 CO -0.37 0.39 -0.18 -0.07 -1.64 0.00 0.00 178.16 176.29 2wmi h LEU 833 N 0.12 0.71 -1.89 2.82 3.38 -0.83 -3.05 115.31 116.56 2wmi h LEU 833 Ca 0.06 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 2wmi h LEU 833 Cb 0.24 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 2wmi h LEU 833 CO -0.00 0.89 -0.12 0.78 0.09 0.00 0.00 178.44 180.08 2wmi h ASN 834 N 0.63 0.00 0.19 -0.43 2.35 0.34 0.19 115.58 118.84 2wmi h ASN 834 Ca 0.10 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.70 2wmi h ASN 834 Cb 0.65 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.02 2wmi h ASN 834 CO 0.05 0.12 -0.55 0.11 -1.65 0.00 0.00 177.43 175.50 2wmi h LYS 835 N 0.00 0.39 0.00 0.81 6.56 -1.41 -3.36 116.57 119.56 2wmi h LYS 835 Ca -0.00 -0.24 -0.20 0.00 -1.06 0.00 0.00 60.65 59.15 2wmi h LYS 835 Cb 0.25 0.03 -0.04 0.00 -0.57 0.00 0.00 32.23 31.90 2wmi h LYS 835 CO 0.02 0.84 -1.89 1.28 -2.06 0.00 0.00 179.45 177.63 2wmi n LEU 836 N -3.93 0.36 -4.15 2.94 4.77 -0.72 -4.75 117.00 111.51 2wmi n LEU 836 Ca -0.03 0.16 -0.35 0.00 -0.03 0.00 0.00 56.01 55.76 2wmi n LEU 836 Cb 0.59 0.20 -0.14 0.00 -2.33 0.00 0.00 43.42 41.75 2wmi n LEU 836 CO 0.45 0.23 -0.34 -0.31 -1.33 0.00 0.00 177.39 176.10 2wmi s TYR 837 N -2.92 3.33 0.56 -1.77 2.02 0.57 -4.94 117.35 114.20 2wmi s TYR 837 Ca -0.07 -2.01 -0.18 0.00 -0.37 0.00 0.00 57.07 54.45 2wmi s TYR 837 Cb 0.09 -2.27 -0.05 0.00 -0.40 0.00 0.00 41.96 39.33 2wmi s TYR 837 CO 0.84 -0.83 1.07 -1.25 -1.57 0.00 0.00 175.55 173.81 2wmi s PRO 838 N 1.22 3.41 0.08 -1.71 0.04 -1.26 -4.48 135.00 132.29 2wmi s PRO 838 Ca -0.03 1.35 -0.31 0.00 0.04 0.00 0.00 61.00 62.05 2wmi s PRO 838 Cb -0.20 -2.04 -0.09 0.00 0.04 0.00 0.00 34.50 32.22 2wmi s PRO 838 CO -0.02 -0.76 1.68 1.41 0.04 0.00 0.00 177.00 179.35 2wmi s MET 839 N -3.68 4.19 -0.01 4.56 1.75 -1.26 -4.90 119.30 119.95 2wmi s MET 839 Ca 0.67 2.38 0.01 0.00 -1.25 0.00 0.00 55.69 57.50 2wmi s MET 839 Cb -0.18 -3.58 0.02 0.00 2.84 0.00 0.00 34.83 33.94 2wmi s MET 839 CO 0.30 -0.75 0.92 0.27 -0.65 0.00 0.00 175.02 175.12 2wmi n ASN 840 N 5.53 1.64 -3.80 1.11 6.94 -1.26 -5.05 115.26 120.37 2wmi n ASN 840 Ca 0.16 -1.91 -0.08 0.00 -0.02 0.00 0.00 54.58 52.74 2wmi n ASN 840 Cb 0.40 -0.04 -0.02 0.00 -2.36 0.00 0.00 39.78 37.76 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 -0.95 -0.05 0.13 -2.53 -0.85 -1.26 -4.77 117.35 107.07 2wmi s TYR 841 Ca 0.02 -0.41 0.10 0.00 -0.52 0.00 0.00 57.07 56.26 2wmi s TYR 841 Cb 0.02 0.62 -0.04 0.00 0.38 0.00 0.00 41.96 42.94 2wmi s TYR 841 CO 0.00 -1.22 -0.20 -1.21 -1.52 0.00 0.00 175.55 171.40 2wmi s GLU 842 N -3.79 1.70 0.00 -3.49 2.02 -0.88 -5.00 118.70 109.26 2wmi s GLU 842 Ca 0.14 -1.26 0.00 0.00 0.02 0.00 0.00 54.97 53.87 2wmi s GLU 842 Cb -0.05 -2.05 0.00 0.00 0.10 0.00 0.00 34.13 32.13 2wmi s GLU 842 CO 0.08 0.46 0.00 0.41 0.02 0.00 0.00 175.26 176.23 2wmi n GLY 843 N 0.71 2.90 3.48 -1.39 0.00 -1.26 -0.57 105.19 109.05 2wmi n GLY 843 Ca -0.15 -1.71 -0.44 0.00 0.00 0.00 0.00 46.02 43.72 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 6.86 -0.09 1.61 2.15 -1.17 -4.88 116.67 121.15 2wmi s ASP 844 Ca 0.00 -2.51 -0.30 0.00 0.43 0.00 0.00 52.55 50.17 2wmi s ASP 844 Cb 0.00 -2.43 0.11 0.00 -0.30 0.00 0.00 42.92 40.31 2wmi s ASP 844 CO 0.00 -0.95 0.94 -0.51 -0.17 0.00 0.00 175.17 174.49 2wmi s ILE 845 N 2.45 0.00 -0.08 4.11 2.07 -1.26 -4.14 121.20 124.34 2wmi s ILE 845 Ca 0.41 0.00 -0.27 0.00 -1.41 0.00 0.00 60.65 59.38 2wmi s ILE 845 Cb -0.03 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.54 2wmi s ILE 845 CO -0.03 0.00 0.87 0.12 -1.91 0.00 0.00 174.94 173.99 2wmi s PHE 846 N -2.10 3.55 -0.07 3.50 5.36 -0.82 -4.55 117.98 122.84 2wmi s PHE 846 Ca 0.02 1.44 -0.08 0.00 -0.96 0.00 0.00 56.93 57.35 2wmi s PHE 846 Cb -0.01 -3.01 0.02 0.00 -0.34 0.00 0.00 43.02 39.68 2wmi s PHE 846 CO -0.03 -0.07 0.22 0.00 -1.46 0.00 0.00 175.22 173.88 2wmi s ALA 847 N 1.40 -0.55 -0.01 11.12 0.00 -1.26 -1.38 121.76 131.08 2wmi s ALA 847 Ca 0.44 0.55 -0.01 0.00 0.00 0.00 0.00 51.96 52.93 2wmi s ALA 847 Cb -0.18 -0.30 0.00 0.00 0.00 0.00 0.00 23.12 22.63 2wmi s ALA 847 CO 0.20 -0.12 0.04 -1.14 0.00 0.00 0.00 175.76 174.73 2wmi s GLN 848 N -0.09 0.07 -0.11 0.00 0.74 -0.12 -2.42 119.66 117.73 2wmi s GLN 848 Ca -0.02 0.01 -0.02 0.00 0.05 0.00 0.00 55.36 55.38 2wmi s GLN 848 Cb -0.02 0.03 -0.03 0.00 1.10 0.00 0.00 33.01 34.09 2wmi s GLN 848 CO 0.01 -0.01 -0.02 0.21 -0.55 0.00 0.00 175.29 174.93 2wmi s LYS 849 N -0.09 3.24 -0.08 1.67 2.20 -1.26 -0.73 119.74 124.69 2wmi s LYS 849 Ca -0.01 -0.47 0.00 0.00 -0.36 0.00 0.00 55.97 55.14 2wmi s LYS 849 Cb -0.01 -2.82 0.02 0.00 -1.51 0.00 0.00 37.83 33.51 2wmi s LYS 849 CO 0.00 0.51 -0.06 -0.51 -0.36 0.00 0.00 175.35 174.94 2wmi s LEU 850 N -0.37 1.18 0.00 5.43 1.43 -0.17 -5.01 118.68 121.16 2wmi s LEU 850 Ca 0.07 -0.21 0.00 0.00 -1.03 0.00 0.00 54.13 52.96 2wmi s LEU 850 Cb -0.12 -0.64 0.00 0.00 0.03 0.00 0.00 46.19 45.45 2wmi s LEU 850 CO 0.02 -0.09 0.00 -0.90 0.23 0.00 0.00 176.35 175.61 2wmi n ASP 851 N 4.52 0.00 -0.88 2.29 5.75 -1.26 -0.50 116.55 126.47 2wmi n ASP 851 Ca -0.17 0.00 0.06 0.00 -0.01 0.00 0.00 54.79 54.67 2wmi n ASP 851 Cb 0.51 0.00 0.19 0.00 -1.03 0.00 0.00 41.12 40.79 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 3.23 2.53 -4.28 -1.12 5.03 -1.26 -4.91 115.26 114.48 2wmi n ASN 852 Ca 0.00 -2.12 -0.32 0.00 0.87 0.00 0.00 54.58 53.01 2wmi n ASN 852 Cb 0.00 -0.35 -0.16 0.00 -1.02 0.00 0.00 39.78 38.25 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 -1.58 2.83 -0.23 3.52 0.52 0.34 -1.32 118.95 123.04 2wmi s ARG 853 Ca 0.28 -0.85 -0.08 0.00 -0.52 0.00 0.00 55.73 54.56 2wmi s ARG 853 Cb 0.16 -2.29 -0.03 0.00 0.52 0.00 0.00 34.95 33.31 2wmi s ARG 853 CO 0.16 0.31 0.07 -1.58 0.02 0.00 0.00 175.30 174.28 2wmi s TRP 854 N 0.04 3.14 -0.20 -0.53 0.52 0.15 -1.00 118.94 121.05 2wmi s TRP 854 Ca -0.09 -0.21 -0.08 0.00 0.02 0.00 0.00 56.10 55.75 2wmi s TRP 854 Cb -0.15 -2.19 -0.04 0.00 -1.15 0.00 0.00 33.47 29.94 2wmi s TRP 854 CO 0.06 -0.16 0.07 -0.06 0.02 0.00 0.00 176.95 176.87 2wmi s PHE 855 N 1.19 3.21 -0.01 -1.98 0.08 0.09 -0.93 117.98 119.63 2wmi s PHE 855 Ca 0.05 -0.02 0.01 0.00 0.12 0.00 0.00 56.93 57.09 2wmi s PHE 855 Cb -0.14 -2.13 0.00 0.00 -0.57 0.00 0.00 43.02 40.18 2wmi s PHE 855 CO 0.04 0.03 -0.05 0.08 -0.10 0.00 0.00 175.22 175.22 2wmi s VAL 856 N 0.72 0.41 0.07 -0.44 1.01 0.09 -0.94 120.40 121.31 2wmi s VAL 856 Ca 0.04 -0.19 -0.09 0.00 0.00 0.00 0.00 61.98 61.73 2wmi s VAL 856 Cb -0.13 -0.37 0.00 0.00 0.00 0.00 0.00 36.38 35.88 2wmi s VAL 856 CO 0.02 0.13 0.20 -0.72 0.00 0.00 0.00 175.10 174.73 2wmi s TYR 857 N 0.08 0.10 -0.08 5.22 -0.85 -0.48 -0.51 117.35 120.83 2wmi s TYR 857 Ca -0.00 -0.45 -0.28 0.00 -0.52 0.00 0.00 57.07 55.81 2wmi s TYR 857 Cb -0.04 -0.03 -0.02 0.00 0.38 0.00 0.00 41.96 42.24 2wmi s TYR 857 CO -0.00 -0.51 0.94 1.21 -1.52 0.00 0.00 175.55 175.67 2wmi s ASN 858 N -2.59 7.21 0.00 -0.18 3.84 -0.94 -1.95 114.94 120.32 2wmi s ASN 858 Ca 0.01 1.48 0.22 0.00 0.21 0.00 0.00 52.86 54.78 2wmi s ASN 858 Cb 0.03 -2.53 0.68 0.00 -0.55 0.00 0.00 41.25 38.88 2wmi s ASN 858 CO -0.09 -0.36 1.52 0.00 -2.79 0.00 0.00 177.10 175.38 2wmi n TYR 859 N 4.63 0.24 -2.14 0.43 0.18 -1.26 -4.32 117.16 114.93 2wmi n TYR 859 Ca 0.06 -0.12 -0.41 0.00 1.88 0.00 0.00 57.90 59.32 2wmi n TYR 859 Cb 0.50 0.00 -0.02 0.00 -0.38 0.00 0.00 39.34 39.43 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 -1.76 4.37 -0.16 -3.48 -0.14 -1.26 -4.92 119.74 112.40 2wmi s LYS 860 Ca 0.34 2.19 -0.12 0.00 -1.36 0.00 0.00 55.97 57.01 2wmi s LYS 860 Cb 0.19 -3.08 -0.05 0.00 -1.68 0.00 0.00 37.83 33.20 2wmi s LYS 860 CO 0.28 -0.17 -0.20 0.28 -0.76 0.00 0.00 175.35 174.78 2wmi n VAL 861 N 0.93 1.45 -2.45 3.17 0.31 -1.26 -4.53 118.33 115.95 2wmi n VAL 861 Ca 0.00 0.17 0.00 0.00 -0.01 0.00 0.00 64.34 64.51 2wmi n VAL 861 Cb 0.42 -2.35 0.05 0.00 -0.91 0.00 0.00 33.84 31.06 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 -4.56 1.64 -3.98 4.52 4.05 -1.26 -4.98 115.26 110.69 2wmi n ASN 862 Ca -0.12 -2.42 -0.23 0.00 0.45 0.00 0.00 54.58 52.27 2wmi n ASN 862 Cb 0.37 -0.39 -0.16 0.00 1.23 0.00 0.00 39.78 40.82 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 -1.99 1.42 -1.29 1.20 8.01 -1.26 -4.24 118.70 120.55 2wmi s GLU 863 Ca 0.34 -0.31 -0.12 0.00 0.01 0.00 0.00 54.97 54.88 2wmi s GLU 863 Cb 0.37 -1.22 0.14 0.00 -4.31 0.00 0.00 34.13 29.10 2wmi s GLU 863 CO -0.10 -0.01 1.80 -1.71 0.01 0.00 0.00 175.26 175.26 2wmi n ASN 864 N 3.88 4.90 -4.12 -0.19 5.15 -1.26 -4.83 115.26 118.81 2wmi n ASN 864 Ca -0.24 -3.01 -0.30 0.00 -0.60 0.00 0.00 54.58 50.43 2wmi n ASN 864 Cb 0.51 -1.56 -0.17 0.00 -0.53 0.00 0.00 39.78 38.03 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 1.61 1.75 0.51 3.44 1.01 -1.26 -5.02 120.40 122.43 2wmi s VAL 865 Ca 0.43 -0.80 -0.19 0.00 0.00 0.00 0.00 61.98 61.42 2wmi s VAL 865 Cb 0.06 -1.56 -0.07 0.00 0.00 0.00 0.00 36.38 34.81 2wmi s VAL 865 CO -0.00 0.49 1.03 -0.54 0.00 0.00 0.00 175.10 176.08 2wmi s LYS 866 N 0.82 3.73 0.08 2.72 1.02 -1.26 -3.99 119.74 122.86 2wmi s LYS 866 Ca -0.09 1.28 0.04 0.00 0.02 0.00 0.00 55.97 57.23 2wmi s LYS 866 Cb -0.16 -2.09 -0.03 0.00 -0.52 0.00 0.00 37.83 35.03 2wmi s LYS 866 CO 0.00 -0.48 -0.12 -0.65 -0.92 0.00 0.00 175.35 173.18 2wmi s GLN 867 N -3.48 0.81 0.04 1.68 -0.21 -0.04 -4.98 119.66 113.49 2wmi s GLN 867 Ca 0.66 -1.02 0.02 0.00 0.02 0.00 0.00 55.36 55.04 2wmi s GLN 867 Cb -0.15 -0.68 -0.02 0.00 1.00 0.00 0.00 33.01 33.16 2wmi s GLN 867 CO 0.24 0.13 -0.08 0.95 -2.12 0.00 0.00 175.29 174.41 2wmi s THR 868 N -1.73 0.57 0.11 -0.19 -4.23 -1.26 -0.74 115.64 108.17 2wmi s THR 868 Ca 0.00 -1.01 -0.11 0.00 -1.18 0.00 0.00 61.69 59.40 2wmi s THR 868 Cb -0.07 -0.62 0.01 0.00 1.34 0.00 0.00 72.50 73.16 2wmi s THR 868 CO 0.01 -0.32 0.25 -0.83 -0.54 0.00 0.00 174.62 173.20 2wmi s GLY 869 N -1.44 0.05 -0.13 3.99 0.00 -0.86 -3.02 107.32 105.91 2wmi s GLY 869 Ca -0.08 -0.51 0.00 0.00 0.00 0.00 0.00 44.72 44.13 2wmi s GLY 869 CO 0.00 -0.69 -0.12 1.25 0.00 0.00 0.00 173.10 173.55 2wmi s LYS 870 N -3.86 2.03 0.06 2.90 2.20 0.26 -1.28 119.74 122.05 2wmi s LYS 870 Ca 0.06 -0.46 0.09 0.00 -0.36 0.00 0.00 55.97 55.30 2wmi s LYS 870 Cb 0.04 -1.91 -0.03 0.00 -1.51 0.00 0.00 37.83 34.42 2wmi s LYS 870 CO -0.10 -0.23 -0.24 -0.51 -0.36 0.00 0.00 175.35 173.92 2wmi s LEU 871 N 1.50 2.19 -0.06 5.43 2.01 0.63 -2.06 118.68 128.32 2wmi s LEU 871 Ca 0.04 -0.59 0.04 0.00 0.01 0.00 0.00 54.13 53.63 2wmi s LEU 871 Cb -0.13 -1.13 -0.00 0.00 0.01 0.00 0.00 46.19 44.94 2wmi s LEU 871 CO -0.09 0.20 -0.19 -0.54 1.01 0.00 0.00 176.35 176.74 2wmi s LYS 872 N -1.36 2.09 0.00 1.70 1.02 -1.26 -0.12 119.74 121.80 2wmi s LYS 872 Ca 0.10 -0.68 0.00 0.00 0.02 0.00 0.00 55.97 55.41 2wmi s LYS 872 Cb -0.10 -1.75 0.00 0.00 -0.52 0.00 0.00 37.83 35.46 2wmi s LYS 872 CO 0.03 0.24 0.00 1.19 -0.92 0.00 0.00 175.35 175.88 2wmi n PHE 873 N 3.23 0.00 0.00 3.18 3.72 -0.24 -5.03 117.46 122.33 2wmi n PHE 873 Ca -0.19 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.21 2wmi n PHE 873 Cb 0.53 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 39.04 2wmi n PHE 873 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 2wmi n ASN 874 N -1.68 0.00 0.00 4.37 4.13 -1.26 -4.83 115.26 115.98 2wmi n ASN 874 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 2wmi n ASN 874 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 2wmi n ASN 874 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 2wmi n SER 875 N 0.00 0.00 -4.71 6.41 7.64 -1.26 -4.95 113.62 116.75 2wmi n SER 875 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.46 2wmi n SER 875 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 2wmi n SER 875 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2wmi s LEU 876 N 0.00 4.38 -0.11 -3.43 2.96 -1.26 -4.92 118.68 116.30 2wmi s LEU 876 Ca 0.00 2.71 0.01 0.00 -0.22 0.00 0.00 54.13 56.62 2wmi s LEU 876 Cb 0.00 -3.58 -0.02 0.00 0.50 0.00 0.00 46.19 43.09 2wmi s LEU 876 CO 0.00 -0.93 -0.13 -0.70 -1.32 0.00 0.00 176.35 173.27 2wmi s GLU 877 N 1.89 3.15 -0.10 1.98 2.12 -1.21 -1.08 118.70 125.45 2wmi s GLU 877 Ca 0.75 -0.68 0.00 0.00 0.36 0.00 0.00 54.97 55.41 2wmi s GLU 877 Cb -0.45 -2.57 0.02 0.00 0.26 0.00 0.00 34.13 31.38 2wmi s GLU 877 CO 0.33 0.34 -0.09 1.41 -0.54 0.00 0.00 175.26 176.71 2wmi s MET 878 N 0.03 1.58 -0.03 4.30 -2.45 0.82 -0.38 119.30 123.17 2wmi s MET 878 Ca -0.04 -0.30 -0.03 0.00 -1.25 0.00 0.00 55.69 54.06 2wmi s MET 878 Cb -0.14 -1.54 -0.04 0.00 1.25 0.00 0.00 34.83 34.36 2wmi s MET 878 CO 0.04 -0.18 0.15 -0.80 1.05 0.00 0.00 175.02 175.28 2wmi s ASN 879 N 1.39 6.23 0.09 1.11 0.01 0.40 -0.27 114.94 123.90 2wmi s ASN 879 Ca -0.01 0.33 0.05 0.00 -0.71 0.00 0.00 52.86 52.53 2wmi s ASN 879 Cb -0.13 -1.94 -0.03 0.00 0.41 0.00 0.00 41.25 39.55 2wmi s ASN 879 CO -0.05 0.30 -0.14 0.68 -1.51 0.00 0.00 177.10 176.38 2wmi s VAL 880 N -1.23 1.21 -0.11 1.60 -7.23 -0.40 -0.13 120.40 114.12 2wmi s VAL 880 Ca 0.23 -1.47 -0.01 0.00 -1.81 0.00 0.00 61.98 58.93 2wmi s VAL 880 Cb -0.12 -1.26 0.02 0.00 0.56 0.00 0.00 36.38 35.58 2wmi s VAL 880 CO 0.14 -0.29 -0.07 -0.70 -0.31 0.00 0.00 175.10 173.88 2wmi s GLU 881 N -2.09 1.40 -0.06 4.82 2.12 -0.24 -2.03 118.70 122.62 2wmi s GLU 881 Ca 0.02 -0.21 0.05 0.00 0.36 0.00 0.00 54.97 55.20 2wmi s GLU 881 Cb -0.08 -1.50 -0.01 0.00 0.26 0.00 0.00 34.13 32.80 2wmi s GLU 881 CO 0.02 -0.27 -0.23 -0.06 -0.54 0.00 0.00 175.26 174.19 2wmi s PHE 882 N 1.72 2.49 0.86 5.30 0.40 0.08 -2.13 117.98 126.71 2wmi s PHE 882 Ca 0.05 -0.68 -0.12 0.00 -0.60 0.00 0.00 56.93 55.58 2wmi s PHE 882 Cb -0.13 -1.62 0.11 0.00 0.51 0.00 0.00 43.02 41.89 2wmi s PHE 882 CO -0.08 -0.19 1.10 -1.21 0.70 0.00 0.00 175.22 175.54 2wmi s GLU 883 N -0.16 1.53 0.71 0.44 2.02 -1.26 -0.86 118.70 121.12 2wmi s GLU 883 Ca -0.03 0.74 -0.16 0.00 0.02 0.00 0.00 54.97 55.54 2wmi s GLU 883 Cb -0.14 -1.85 0.00 0.00 0.10 0.00 0.00 34.13 32.25 2wmi s GLU 883 CO 0.04 -2.03 0.94 -2.30 0.02 0.00 0.00 175.26 171.93 2wmi n PRO 884 N -3.73 0.52 -3.19 0.39 -0.02 -1.26 -3.67 135.00 124.04 2wmi n PRO 884 Ca 0.07 0.23 -0.14 0.00 -2.02 0.00 0.00 63.50 61.64 2wmi n PRO 884 Cb 0.56 -2.20 0.07 0.00 -0.02 0.00 0.00 33.50 31.92 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 -2.46 -1.91 -3.72 6.00 8.25 -1.26 -5.02 115.22 115.11 2wmi n HIS 885 Ca 0.13 0.80 -0.15 0.00 -0.26 0.00 0.00 57.72 58.23 2wmi n HIS 885 Cb 0.49 -4.55 -0.15 0.00 1.12 0.00 0.00 29.99 26.91 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 -3.31 -0.13 0.13 1.59 2.01 -1.24 -4.38 115.64 110.31 2wmi s THR 886 Ca 0.05 0.25 0.08 0.00 0.31 0.00 0.00 61.69 62.38 2wmi s THR 886 Cb -0.01 -0.25 -0.04 0.00 0.01 0.00 0.00 72.50 72.21 2wmi s THR 886 CO 0.63 0.11 -0.18 -0.72 -0.69 0.00 0.00 174.62 173.76 2wmi s TYR 887 N 1.62 1.68 0.03 4.92 -0.85 -0.00 -2.22 117.35 122.53 2wmi s TYR 887 Ca -0.04 -0.47 -0.03 0.00 -0.52 0.00 0.00 57.07 56.01 2wmi s TYR 887 Cb -0.12 -0.88 -0.02 0.00 0.38 0.00 0.00 41.96 41.32 2wmi s TYR 887 CO -0.06 0.23 0.03 0.20 -1.52 0.00 0.00 175.55 174.43 2wmi s GLY 888 N -2.31 0.25 -0.17 5.49 0.00 0.33 -0.51 107.32 110.40 2wmi s GLY 888 Ca 0.10 -0.68 0.01 0.00 0.00 0.00 0.00 44.72 44.15 2wmi s GLY 888 CO 0.05 -0.79 -0.18 -0.42 0.00 0.00 0.00 173.10 171.76 2wmi s ILE 889 N -2.39 1.89 -0.26 0.90 1.01 -0.11 -0.73 121.20 121.50 2wmi s ILE 889 Ca -0.07 -0.85 -0.01 0.00 0.00 0.00 0.00 60.65 59.72 2wmi s ILE 889 Cb -0.03 -1.73 0.03 0.00 0.01 0.00 0.00 42.46 40.74 2wmi s ILE 889 CO -0.04 0.50 -0.05 -0.36 0.00 0.00 0.00 174.94 174.99 2wmi s PHE 890 N 1.36 3.12 -0.23 3.97 0.08 -0.10 -1.52 117.98 124.66 2wmi s PHE 890 Ca 0.05 -1.66 -0.03 0.00 0.12 0.00 0.00 56.93 55.40 2wmi s PHE 890 Cb -0.13 -2.06 -0.00 0.00 -0.57 0.00 0.00 43.02 40.25 2wmi s PHE 890 CO -0.12 -0.75 -0.05 -2.00 -0.10 0.00 0.00 175.22 172.20 2wmi s GLU 891 N 1.30 3.27 -0.06 0.44 2.12 -0.37 -0.68 118.70 124.72 2wmi s GLU 891 Ca -0.01 -0.70 -0.30 0.00 0.36 0.00 0.00 54.97 54.32 2wmi s GLU 891 Cb -0.17 -3.00 -0.04 0.00 0.26 0.00 0.00 34.13 31.17 2wmi s GLU 891 CO -0.04 -0.24 1.37 0.50 -0.54 0.00 0.00 175.26 176.31 2wmi s ARG 892 N 1.45 4.27 0.40 4.30 6.06 -0.43 -1.10 118.95 133.90 2wmi s ARG 892 Ca 0.05 1.87 0.07 0.00 -2.50 0.00 0.00 55.73 55.23 2wmi s ARG 892 Cb -0.15 -3.68 -0.06 0.00 0.06 0.00 0.00 34.95 31.13 2wmi s ARG 892 CO -0.04 -0.63 0.14 0.96 -2.50 0.00 0.00 175.30 173.23 2wmi s ILE 893 N 2.89 2.31 0.24 4.11 -4.36 -0.22 -4.93 121.20 121.24 2wmi s ILE 893 Ca 0.62 -1.77 -0.05 0.00 -0.26 0.00 0.00 60.65 59.19 2wmi s ILE 893 Cb -0.28 -2.98 0.21 0.00 1.25 0.00 0.00 42.46 40.66 2wmi s ILE 893 CO 0.23 -0.02 1.74 0.77 0.24 0.00 0.00 174.94 177.90 2wmi h SER 894 N 1.52 0.30 -0.47 4.36 4.64 -2.00 -2.60 113.55 119.30 2wmi h SER 894 Ca -0.43 0.10 -0.06 0.00 -0.47 0.00 0.00 61.79 60.93 2wmi h SER 894 Cb 1.25 0.07 -0.04 0.00 -0.31 0.00 0.00 62.40 63.37 2wmi h SER 894 CO 0.71 0.13 0.06 -0.46 -0.87 0.00 0.00 176.83 176.40 2wmi n ASN 895 N -4.98 4.57 0.00 4.97 0.23 -1.26 -5.05 115.26 113.75 2wmi n ASN 895 Ca 0.14 -3.10 0.00 0.00 -0.53 0.00 0.00 54.58 51.09 2wmi n ASN 895 Cb 0.39 -0.64 0.00 0.00 -2.08 0.00 0.00 39.78 37.45 2wmi n ASN 895 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2wmi n GLY 896 N -0.14 -0.06 2.98 4.83 0.00 -0.98 -0.88 105.19 110.94 2wmi n GLY 896 Ca 0.29 -0.34 -0.14 0.00 0.00 0.00 0.00 46.02 45.83 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 0.23 -0.12 0.99 2.96 -0.34 -1.06 118.68 121.35 2wmi s LEU 897 Ca 0.00 0.47 -0.14 0.00 -0.22 0.00 0.00 54.13 54.23 2wmi s LEU 897 Cb 0.00 0.58 -0.05 0.00 0.50 0.00 0.00 46.19 47.22 2wmi s LEU 897 CO 0.00 -0.19 0.34 -0.75 -1.32 0.00 0.00 176.35 174.42 2wmi s LYS 898 N 1.67 4.15 -0.08 1.98 2.47 -0.26 -0.20 119.74 129.47 2wmi s LYS 898 Ca -0.05 0.20 0.04 0.00 -1.56 0.00 0.00 55.97 54.60 2wmi s LYS 898 Cb -0.11 -3.37 0.00 0.00 -1.46 0.00 0.00 37.83 32.89 2wmi s LYS 898 CO -0.08 0.35 -0.20 0.08 0.16 0.00 0.00 175.35 175.66 2wmi s VAL 899 N 0.09 1.75 -0.13 4.02 1.01 0.13 -1.24 120.40 126.02 2wmi s VAL 899 Ca 0.19 -0.85 0.02 0.00 0.00 0.00 0.00 61.98 61.34 2wmi s VAL 899 Cb -0.14 -1.52 0.01 0.00 0.00 0.00 0.00 36.38 34.73 2wmi s VAL 899 CO 0.07 0.49 -0.19 0.20 0.00 0.00 0.00 175.10 175.66 2wmi s ASN 900 N 0.32 2.90 0.04 3.32 0.01 -0.58 -1.75 114.94 119.20 2wmi s ASN 900 Ca -0.14 -0.55 0.07 0.00 -0.71 0.00 0.00 52.86 51.53 2wmi s ASN 900 Cb -0.16 -1.33 -0.02 0.00 0.41 0.00 0.00 41.25 40.14 2wmi s ASN 900 CO 0.06 0.05 -0.20 -0.22 -1.51 0.00 0.00 177.10 175.28 2wmi s LEU 901 N 0.94 2.16 -0.10 0.60 2.96 0.89 -0.93 118.68 125.20 2wmi s LEU 901 Ca -0.05 -0.50 -0.03 0.00 -0.22 0.00 0.00 54.13 53.32 2wmi s LEU 901 Cb -0.15 -0.94 0.05 0.00 0.50 0.00 0.00 46.19 45.65 2wmi s LEU 901 CO -0.03 0.15 0.12 0.21 -1.32 0.00 0.00 176.35 175.48 2wmi s ASN 902 N -1.12 1.28 -0.06 3.68 3.84 0.33 -1.13 114.94 121.76 2wmi s ASN 902 Ca 0.07 -0.01 0.15 0.00 0.21 0.00 0.00 52.86 53.28 2wmi s ASN 902 Cb -0.09 0.05 0.30 0.00 -0.55 0.00 0.00 41.25 40.97 2wmi s ASN 902 CO 0.02 -0.28 1.14 -0.46 -2.79 0.00 0.00 177.10 174.72 2wmi n ASN 903 N 5.31 1.09 -4.65 -4.21 6.94 -0.89 -0.82 115.26 118.03 2wmi n ASN 903 Ca -0.05 -2.56 -0.42 0.00 -0.02 0.00 0.00 54.58 51.53 2wmi n ASN 903 Cb 0.50 -0.34 -0.03 0.00 -2.36 0.00 0.00 39.78 37.54 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 -1.09 1.33 -0.27 -2.53 5.36 -1.23 -4.24 117.98 115.31 2wmi s PHE 904 Ca 0.26 -0.25 -0.00 0.00 -0.96 0.00 0.00 56.93 55.98 2wmi s PHE 904 Cb 0.27 -4.17 0.16 0.00 -0.34 0.00 0.00 43.02 38.94 2wmi s PHE 904 CO -0.08 -5.18 0.43 0.50 -1.46 0.00 0.00 175.22 169.43 2wmi s ARG 905 N 4.71 0.42 0.75 10.12 3.52 -1.26 -1.15 118.95 136.06 2wmi s ARG 905 Ca 0.89 0.45 -0.12 0.00 -0.13 0.00 0.00 55.73 56.82 2wmi s ARG 905 Cb -0.40 -0.22 0.04 0.00 -1.56 0.00 0.00 34.95 32.81 2wmi s ARG 905 CO 0.39 -0.82 1.11 0.95 -0.81 0.00 0.00 175.30 176.13 2wmi s THR 906 N 2.61 3.08 -0.28 4.11 -4.23 -1.26 -3.37 115.64 116.30 2wmi s THR 906 Ca 0.12 0.35 -0.21 0.00 -1.18 0.00 0.00 61.69 60.78 2wmi s THR 906 Cb -0.14 -3.29 -0.01 0.00 1.34 0.00 0.00 72.50 70.40 2wmi s THR 906 CO -0.23 -0.46 0.65 0.21 -0.54 0.00 0.00 174.62 174.25 2wmi s ASN 907 N -4.30 6.55 0.00 3.99 3.84 -0.25 -4.65 114.94 120.12 2wmi s ASN 907 Ca 0.60 0.59 0.21 0.00 0.21 0.00 0.00 52.86 54.46 2wmi s ASN 907 Cb -0.12 -2.34 0.47 0.00 -0.55 0.00 0.00 41.25 38.71 2wmi s ASN 907 CO 0.52 -0.44 1.41 0.29 -2.79 0.00 0.00 177.10 176.08 2wmi n LYS 908 N 5.83 2.54 -0.06 0.43 4.76 -1.26 -4.57 118.16 125.83 2wmi n LYS 908 Ca -0.00 -2.35 0.08 0.00 -2.87 0.00 0.00 58.31 53.17 2wmi n LYS 908 Cb 0.49 -1.49 0.45 0.00 -1.84 0.00 0.00 35.03 32.63 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 4.04 0.45 -0.25 4.39 3.32 -1.97 -1.78 116.42 124.62 2wmi h ASP 909 Ca 0.00 -0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.09 2wmi h ASP 909 Cb 0.94 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.38 2wmi h ASP 909 CO 0.00 0.30 0.17 0.77 -1.72 0.00 0.00 179.24 178.76 2wmi h SER 910 N 0.52 0.15 0.41 6.45 4.64 -1.99 0.30 113.55 124.03 2wmi h SER 910 Ca 0.23 -0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.52 2wmi h SER 910 Cb 0.26 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.31 2wmi h SER 910 CO -0.06 0.10 -0.14 -0.07 -0.87 0.00 0.00 176.83 175.79 2wmi h LEU 911 N 0.17 0.00 -3.13 5.97 3.38 -1.68 -2.79 115.31 117.23 2wmi h LEU 911 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2wmi h LEU 911 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2wmi h LEU 911 CO -0.02 0.14 0.00 0.79 0.09 0.00 0.00 178.44 179.44 2wmi n TRP 912 N -3.66 0.89 -1.31 1.13 7.02 0.10 -5.02 117.44 116.59 2wmi n TRP 912 Ca -0.02 -0.71 -0.36 0.00 -1.02 0.00 0.00 57.50 55.40 2wmi n TRP 912 Cb 0.26 -0.21 0.07 0.00 -2.42 0.00 0.00 31.31 29.01 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 0.09 -0.53 -0.02 -0.99 7.64 -0.84 -3.01 113.62 115.97 2wmi n SER 913 Ca 0.19 0.63 -0.00 0.00 1.01 0.00 0.00 58.87 60.69 2wmi n SER 913 Cb 0.74 -1.29 -0.00 0.00 -1.01 0.00 0.00 64.21 62.65 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 -0.80 -4.44 -3.92 6.43 3.02 -1.26 -4.97 115.26 109.32 2wmi n ASN 914 Ca 0.11 0.01 -0.30 0.00 -0.03 0.00 0.00 54.58 54.37 2wmi n ASN 914 Cb 0.50 -1.95 -0.16 0.00 -0.61 0.00 0.00 39.78 37.55 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 -1.54 1.78 -0.50 5.41 0.00 -1.16 -4.89 121.76 120.86 2wmi s ALA 915 Ca 0.00 -1.16 0.23 0.00 0.00 0.00 0.00 51.96 51.03 2wmi s ALA 915 Cb 0.00 -1.32 0.17 0.00 0.00 0.00 0.00 23.12 21.97 2wmi s ALA 915 CO 0.00 -1.05 1.17 1.04 0.00 0.00 0.00 175.76 176.92 2wmi n GLN 916 N 4.75 0.39 -4.06 0.00 1.13 -1.26 -4.83 117.38 113.50 2wmi n GLN 916 Ca -0.12 0.08 -0.12 0.00 -1.94 0.00 0.00 57.00 54.90 2wmi n GLN 916 Cb 0.45 -1.71 -0.05 0.00 0.11 0.00 0.00 30.24 29.04 2wmi n GLN 916 CO 0.00 0.00 0.00 0.16 -1.44 0.00 0.00 177.06 175.78 2wmi s ASP 917 N -4.52 0.38 0.34 1.08 1.47 -1.26 -5.05 116.67 109.11 2wmi s ASP 917 Ca 0.04 -1.24 0.02 0.00 1.18 0.00 0.00 52.55 52.54 2wmi s ASP 917 Cb 0.12 0.60 0.60 0.00 -0.34 0.00 0.00 42.92 43.91 2wmi s ASP 917 CO 0.76 -1.19 1.99 0.00 0.68 0.00 0.00 175.17 177.41 2wmi h ALA 918 N 2.23 1.50 -0.59 2.11 0.00 -1.92 -1.07 119.26 121.51 2wmi h ALA 918 Ca -0.28 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 2wmi h ALA 918 Cb 1.25 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 2wmi h ALA 918 CO 0.39 0.44 0.28 -0.97 0.00 0.00 0.00 179.25 179.39 2wmi h ASN 919 N 0.86 0.78 -0.07 0.00 -0.73 -1.95 -0.95 115.58 113.53 2wmi h ASN 919 Ca 0.23 -0.14 -0.17 0.00 1.87 0.00 0.00 56.30 58.09 2wmi h ASN 919 Cb -0.05 -0.20 -0.00 0.00 0.27 0.00 0.00 38.32 38.33 2wmi h ASN 919 CO -0.05 0.70 -0.57 1.56 -0.37 0.00 0.00 177.43 178.71 2wmi h GLN 920 N 0.81 0.67 -0.25 6.67 4.20 -1.85 -3.17 115.11 122.20 2wmi h GLN 920 Ca 0.20 -0.43 0.00 0.00 0.06 0.00 0.00 58.65 58.48 2wmi h GLN 920 Cb 0.13 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 2wmi h GLN 920 CO -0.02 1.05 0.16 0.00 -0.67 0.00 0.00 178.83 179.35 2wmi h ALA 921 N 0.86 0.31 -0.55 3.87 0.00 -1.05 -2.55 119.26 120.15 2wmi h ALA 921 Ca 0.01 -0.02 0.16 0.00 0.00 0.00 0.00 54.91 55.05 2wmi h ALA 921 Cb 1.14 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 2wmi h ALA 921 CO 0.11 -0.21 0.40 -0.22 0.00 0.00 0.00 179.25 179.34 2wmi h LYS 922 N 0.33 0.00 -0.28 0.00 3.64 -1.14 -2.28 116.57 116.84 2wmi h LYS 922 Ca 0.09 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 2wmi h LYS 922 Cb -0.02 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 2wmi h LYS 922 CO -0.02 0.00 0.00 1.63 -2.27 0.00 0.00 179.45 178.79 2wmi n LYS 923 N -4.33 2.40 -1.36 1.90 5.02 -0.98 -4.85 118.16 115.95 2wmi n LYS 923 Ca 0.10 -2.09 -0.36 0.00 -2.02 0.00 0.00 58.31 53.94 2wmi n LYS 923 Cb 0.63 -1.49 0.09 0.00 -0.02 0.00 0.00 35.03 34.23 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 1.36 3.57 -4.78 -0.35 4.77 -0.86 -4.90 117.00 115.82 2wmi n LEU 924 Ca 0.18 0.67 -0.41 0.00 -0.03 0.00 0.00 56.01 56.42 2wmi n LEU 924 Cb 0.58 -1.41 -0.01 0.00 -2.33 0.00 0.00 43.42 40.25 2wmi n LEU 924 CO 0.16 -2.01 1.10 -2.16 -1.33 0.00 0.00 177.39 173.14 2wmi s PRO 925 N -3.35 4.17 0.15 3.23 0.04 -1.26 -4.89 135.00 133.10 2wmi s PRO 925 Ca 0.73 2.48 -0.34 0.00 0.04 0.00 0.00 61.00 63.91 2wmi s PRO 925 Cb -0.34 -3.00 -0.16 0.00 0.04 0.00 0.00 34.50 31.04 2wmi s PRO 925 CO 0.50 -0.45 1.27 1.04 0.04 0.00 0.00 177.00 179.40 2wmi n GLN 926 N 0.62 1.30 0.06 4.56 1.13 -1.26 -4.90 117.38 118.89 2wmi n GLN 926 Ca 0.01 0.47 -0.03 0.00 -1.94 0.00 0.00 57.00 55.50 2wmi n GLN 926 Cb 0.40 -2.04 0.19 0.00 0.11 0.00 0.00 30.24 28.90 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 3.97 0.36 -0.40 1.08 5.85 -1.93 -3.50 115.31 120.73 2wmi h LEU 927 Ca -0.45 -0.15 0.17 0.00 0.84 0.00 0.00 57.88 58.29 2wmi h LEU 927 Cb 1.33 -0.10 -0.09 0.00 0.37 0.00 0.00 40.66 42.17 2wmi h LEU 927 CO 0.74 0.72 -0.74 0.35 -0.34 0.00 0.00 178.44 179.17 2wmi n THR 928 N -4.04 -0.85 0.09 1.05 -2.24 -1.26 -3.40 114.28 103.63 2wmi n THR 928 Ca -0.01 0.65 -0.12 0.00 -2.27 0.00 0.00 64.05 62.30 2wmi n THR 928 Cb 0.48 -1.01 -0.06 0.00 -2.10 0.00 0.00 70.33 67.63 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 -0.66 -0.21 -0.29 -0.78 3.64 -1.97 0.10 116.57 116.41 2wmi h LYS 929 Ca -0.10 0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.23 2wmi h LYS 929 Cb 0.79 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.64 2wmi h LYS 929 CO 0.04 -0.14 -0.09 0.87 -2.27 0.00 0.00 179.45 177.86 2wmi h LYS 930 N -0.21 0.47 -0.26 1.90 1.57 -2.00 -2.10 116.57 115.94 2wmi h LYS 930 Ca 0.01 -0.12 -0.12 0.00 -1.87 0.00 0.00 60.65 58.55 2wmi h LYS 930 Cb 0.21 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 2wmi h LYS 930 CO -0.03 0.57 -0.33 0.78 -0.57 0.00 0.00 179.45 179.86 2wmi h GLY 931 N 0.88 0.60 1.33 3.86 0.00 -1.50 -1.46 103.07 106.78 2wmi h GLY 931 Ca 0.09 -0.56 -0.21 0.00 0.00 0.00 0.00 47.33 46.65 2wmi h GLY 931 CO 0.02 0.50 -0.77 0.00 0.00 0.00 0.00 176.54 176.30 2wmi h ALA 932 N 1.16 0.41 -0.58 3.60 0.00 -0.55 0.22 119.26 123.52 2wmi h ALA 932 Ca 0.05 -0.61 -0.02 0.00 0.00 0.00 0.00 54.91 54.34 2wmi h ALA 932 Cb 0.81 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 2wmi h ALA 932 CO 0.07 0.71 0.29 0.82 0.00 0.00 0.00 179.25 181.14 2wmi h ILE 933 N 0.45 1.20 -0.53 0.00 2.04 -1.35 -1.57 117.51 117.75 2wmi h ILE 933 Ca -0.05 -0.56 -0.04 0.00 1.00 0.00 0.00 64.86 65.21 2wmi h ILE 933 Cb 1.38 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 37.94 2wmi h ILE 933 CO 0.15 0.23 0.16 0.50 0.00 0.00 0.00 178.15 179.19 2wmi h LYS 934 N 0.79 0.82 -1.00 2.37 1.63 -0.99 -1.53 116.57 118.67 2wmi h LYS 934 Ca 0.20 -0.18 0.07 0.00 -0.85 0.00 0.00 60.65 59.90 2wmi h LYS 934 Cb 0.09 -0.12 -0.07 0.00 -0.60 0.00 0.00 32.23 31.54 2wmi h LYS 934 CO -0.03 0.76 0.64 2.35 -3.45 0.00 0.00 179.45 179.72 2wmi h TRP 935 N 0.73 1.18 -0.03 1.91 7.01 -0.38 -0.32 115.95 126.06 2wmi h TRP 935 Ca 0.17 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.20 2wmi h TRP 935 Cb 0.28 -0.39 -0.00 0.00 -2.10 0.00 0.00 29.16 26.95 2wmi h TRP 935 CO 0.02 0.59 0.01 0.82 -2.79 0.00 0.00 178.44 177.09 2wmi h ILE 936 N 1.14 1.14 -0.41 2.65 2.04 -0.84 0.79 117.51 124.03 2wmi h ILE 936 Ca 0.44 -0.43 0.07 0.00 1.00 0.00 0.00 64.86 65.94 2wmi h ILE 936 Cb 0.21 1.38 -0.06 0.00 -0.74 0.00 0.00 36.82 37.61 2wmi h ILE 936 CO -0.19 0.12 0.04 -0.33 0.00 0.00 0.00 178.15 177.79 2wmi h GLU 937 N -0.13 0.15 0.00 2.37 5.08 -0.88 0.99 114.58 122.16 2wmi h GLU 937 Ca 0.01 -0.01 -0.21 0.00 -1.00 0.00 0.00 59.36 58.15 2wmi h GLU 937 Cb 0.18 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 2wmi h GLU 937 CO -0.00 0.10 -1.24 0.93 -1.00 0.00 0.00 179.01 177.80 2wmi h GLU 938 N 0.15 0.00 0.00 2.33 5.08 -0.96 -3.31 114.58 117.88 2wmi h GLU 938 Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 2wmi h GLU 938 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 2wmi h GLU 938 CO -0.30 0.59 0.00 0.72 -1.00 0.00 0.00 179.01 179.02 2wmi n HIS 939 N -3.13 0.00 0.01 4.33 8.25 0.26 -4.42 115.22 120.52 2wmi n HIS 939 Ca -0.07 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.36 2wmi n HIS 939 Cb 0.92 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 32.02 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 -0.13 0.00 -0.24 4.41 9.36 -0.93 -3.87 117.16 125.76 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 0.10 -0.13 0.25 0.00 -0.63 0.00 0.00 39.34 38.92 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 -0.21 1.16 -3.95 2.97 1.08 -0.99 -3.40 117.51 114.17 2wmi h ILE 941 Ca -0.04 -0.35 -0.29 0.00 -0.39 0.00 0.00 64.86 63.79 2wmi h ILE 941 Cb 0.46 0.05 -0.15 0.00 -3.07 0.00 0.00 36.82 34.12 2wmi h ILE 941 CO -0.02 0.19 -0.64 -1.59 -0.69 0.00 0.00 178.15 175.39 2wmi s LYS 942 N -5.86 1.21 -1.51 2.37 -2.85 -1.24 -4.86 119.74 106.99 2wmi s LYS 942 Ca -0.11 -1.62 -0.13 0.00 -1.00 0.00 0.00 55.97 53.11 2wmi s LYS 942 Cb 0.18 -0.13 0.08 0.00 -2.06 0.00 0.00 37.83 35.89 2wmi s LYS 942 CO 0.79 -0.24 0.94 -0.25 0.10 0.00 0.00 175.35 176.68 2wmi n ASP 943 N -0.31 -4.94 -4.75 0.03 8.00 -1.26 -3.04 116.55 110.28 2wmi n ASP 943 Ca -0.03 -0.70 -0.41 0.00 0.71 0.00 0.00 54.79 54.36 2wmi n ASP 943 Cb 0.65 -3.95 -0.02 0.00 -0.02 0.00 0.00 41.12 37.78 2wmi n ASP 943 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2wmi s THR 944 N -3.26 2.48 -0.97 -3.53 2.01 -1.25 -4.68 115.64 106.44 2wmi s THR 944 Ca 0.62 0.42 -0.17 0.00 0.31 0.00 0.00 61.69 62.87 2wmi s THR 944 Cb -0.31 -3.27 0.15 0.00 0.01 0.00 0.00 72.50 69.08 2wmi s THR 944 CO 0.77 0.08 1.14 -1.10 -0.69 0.00 0.00 174.62 174.82 2wmi s GLN 945 N -0.76 3.68 0.61 4.92 -1.52 -1.26 -5.02 119.66 120.32 2wmi s GLN 945 Ca 0.58 -1.97 -0.18 0.00 -1.95 0.00 0.00 55.36 51.85 2wmi s GLN 945 Cb -0.43 -4.89 -0.02 0.00 -0.22 0.00 0.00 33.01 27.44 2wmi s GLN 945 CO 0.48 -1.72 1.17 -0.06 -0.25 0.00 0.00 175.29 174.90 2wmi s PHE 946 N 2.25 2.44 0.76 0.91 0.08 -1.26 -1.10 117.98 122.06 2wmi s PHE 946 Ca 0.33 1.54 -0.11 0.00 0.12 0.00 0.00 56.93 58.81 2wmi s PHE 946 Cb -0.05 -3.39 0.04 0.00 -0.57 0.00 0.00 43.02 39.06 2wmi s PHE 946 CO -0.08 -2.04 1.08 0.20 -0.10 0.00 0.00 175.22 174.28 2wmi s GLY 947 N -1.86 1.64 0.49 4.36 0.00 -1.22 -4.28 107.32 106.45 2wmi s GLY 947 Ca 0.74 -0.12 -0.23 0.00 0.00 0.00 0.00 44.72 45.11 2wmi s GLY 947 CO 0.35 0.26 1.30 -0.54 0.00 0.00 0.00 173.10 174.47 2wmi s GLU 948 N -5.14 3.49 0.50 2.90 0.41 -1.26 -4.92 118.70 114.68 2wmi s GLU 948 Ca 0.60 2.11 -0.22 0.00 -0.41 0.00 0.00 54.97 57.04 2wmi s GLU 948 Cb -0.14 -2.41 -0.06 0.00 -1.78 0.00 0.00 34.13 29.74 2wmi s GLU 948 CO 0.54 -0.87 1.27 0.15 -0.49 0.00 0.00 175.26 175.86 2wmi s LYS 949 N -2.71 3.44 0.06 1.61 1.02 -1.26 -4.66 119.74 117.23 2wmi s LYS 949 Ca 0.66 2.02 -0.05 0.00 0.02 0.00 0.00 55.97 58.62 2wmi s LYS 949 Cb -0.37 -2.33 -0.02 0.00 -0.52 0.00 0.00 37.83 34.59 2wmi s LYS 949 CO 0.45 -0.88 0.10 -0.98 -0.92 0.00 0.00 175.35 173.11 2wmi s ARG 950 N -2.80 0.68 -0.09 1.68 1.70 -0.01 -4.76 118.95 115.35 2wmi s ARG 950 Ca 0.68 -0.94 -0.14 0.00 -0.47 0.00 0.00 55.73 54.86 2wmi s ARG 950 Cb -0.35 0.26 -0.05 0.00 -0.57 0.00 0.00 34.95 34.25 2wmi s ARG 950 CO 0.42 -0.18 0.34 0.08 -1.08 0.00 0.00 175.30 174.88 2wmi s VAL 951 N -3.37 5.21 -0.05 4.99 1.01 -1.26 -1.96 120.40 124.97 2wmi s VAL 951 Ca 0.01 0.66 0.05 0.00 0.00 0.00 0.00 61.98 62.71 2wmi s VAL 951 Cb 0.03 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.74 2wmi s VAL 951 CO -0.08 0.49 -0.21 -0.89 0.00 0.00 0.00 175.10 174.40 2wmi s THR 952 N -0.31 2.43 -0.03 3.92 2.01 -0.35 -4.47 115.64 118.84 2wmi s THR 952 Ca 0.20 -0.94 0.06 0.00 0.31 0.00 0.00 61.69 61.32 2wmi s THR 952 Cb -0.15 -1.91 -0.02 0.00 0.01 0.00 0.00 72.50 70.43 2wmi s THR 952 CO 0.08 0.57 -0.22 -0.54 -0.69 0.00 0.00 174.62 173.83 2wmi s LYS 953 N -0.35 2.24 -0.08 4.92 1.02 -0.91 -1.02 119.74 125.56 2wmi s LYS 953 Ca 0.03 -0.85 0.02 0.00 0.02 0.00 0.00 55.97 55.18 2wmi s LYS 953 Cb -0.12 -2.16 0.02 0.00 -0.52 0.00 0.00 37.83 35.04 2wmi s LYS 953 CO 0.02 0.58 -0.11 0.42 -0.92 0.00 0.00 175.35 175.35 2wmi s ILE 954 N -0.67 1.07 -0.20 2.17 1.01 -0.67 -1.08 121.20 122.84 2wmi s ILE 954 Ca 0.11 -0.41 0.01 0.00 0.00 0.00 0.00 60.65 60.36 2wmi s ILE 954 Cb -0.10 -1.01 0.03 0.00 0.01 0.00 0.00 42.46 41.39 2wmi s ILE 954 CO -0.00 0.35 -0.18 -0.69 0.00 0.00 0.00 174.94 174.42 2wmi s VAL 955 N 0.93 2.06 -0.12 2.92 1.01 0.82 -0.20 120.40 127.83 2wmi s VAL 955 Ca -0.10 -1.09 -0.13 0.00 0.00 0.00 0.00 61.98 60.66 2wmi s VAL 955 Cb -0.15 -1.94 -0.05 0.00 0.00 0.00 0.00 36.38 34.24 2wmi s VAL 955 CO 0.01 0.41 0.30 -0.76 0.00 0.00 0.00 175.10 175.06 2wmi s LEU 956 N 1.26 4.31 0.20 3.92 1.43 -0.16 -0.46 118.68 129.18 2wmi s LEU 956 Ca 0.02 0.60 0.09 0.00 -1.03 0.00 0.00 54.13 53.81 2wmi s LEU 956 Cb -0.15 -2.39 -0.04 0.00 0.03 0.00 0.00 46.19 43.64 2wmi s LEU 956 CO -0.11 0.17 -0.11 -0.13 0.23 0.00 0.00 176.35 176.41 2wmi s ARG 957 N 0.01 2.00 -0.25 1.70 0.52 0.49 -1.82 118.95 121.60 2wmi s ARG 957 Ca 0.18 -1.35 -0.01 0.00 -0.52 0.00 0.00 55.73 54.02 2wmi s ARG 957 Cb -0.14 -2.10 0.00 0.00 0.52 0.00 0.00 34.95 33.24 2wmi s ARG 957 CO 0.06 0.41 0.22 0.41 0.02 0.00 0.00 175.30 176.42 2wmi n GLY 958 N -0.11 0.64 3.37 -3.53 0.00 0.56 -3.36 105.19 102.76 2wmi n GLY 958 Ca -0.10 -0.49 -0.33 0.00 0.00 0.00 0.00 46.02 45.10 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 -3.06 2.96 -0.13 -0.61 1.09 0.28 -4.96 121.20 116.77 2wmi s ILE 959 Ca 0.10 -0.70 -0.25 0.00 -1.10 0.00 0.00 60.65 58.70 2wmi s ILE 959 Cb -0.04 -2.23 -0.26 0.00 -1.06 0.00 0.00 42.46 38.87 2wmi s ILE 959 CO 0.14 0.53 0.66 -2.24 -0.10 0.00 0.00 174.94 173.93 2wmi h ASP 960 N 6.60 0.13 -4.51 3.58 2.03 -1.95 -3.37 116.42 118.93 2wmi h ASP 960 Ca -0.27 -0.88 -0.34 0.00 -0.73 0.00 0.00 57.03 54.81 2wmi h ASP 960 Cb 1.21 -0.04 -0.14 0.00 -0.83 0.00 0.00 39.33 39.52 2wmi h ASP 960 CO 0.54 1.24 -0.62 -1.59 -1.03 0.00 0.00 179.24 177.78 2wmi s LYS 961 N -2.31 1.39 0.00 4.15 -2.85 -1.26 -5.02 119.74 113.84 2wmi s LYS 961 Ca -0.20 -1.75 -0.30 0.00 -1.00 0.00 0.00 55.97 52.72 2wmi s LYS 961 Cb 0.00 -0.26 -0.08 0.00 -2.06 0.00 0.00 37.83 35.43 2wmi s LYS 961 CO 0.71 -0.29 1.97 -1.17 0.10 0.00 0.00 175.35 176.67 2wmi s LEU 962 N -3.30 4.33 0.76 2.77 2.96 -1.26 -4.98 118.68 119.95 2wmi s LEU 962 Ca 0.37 2.56 -0.11 0.00 -0.22 0.00 0.00 54.13 56.74 2wmi s LEU 962 Cb 0.08 -3.53 0.05 0.00 0.50 0.00 0.00 46.19 43.29 2wmi s LEU 962 CO 0.13 -1.14 1.09 -2.84 -1.32 0.00 0.00 176.35 172.27 2wmi s PRO 963 N 4.63 2.37 0.14 0.98 0.02 -1.26 -4.95 135.00 136.92 2wmi s PRO 963 Ca 0.89 1.13 0.09 0.00 0.02 0.00 0.00 61.00 63.13 2wmi s PRO 963 Cb -0.41 -1.91 -0.04 0.00 0.02 0.00 0.00 34.50 32.16 2wmi s PRO 963 CO 0.40 -1.55 -0.17 0.95 -0.33 0.00 0.00 177.00 176.30 2wmi s THR 964 N -2.93 2.85 -0.12 0.99 -4.23 -0.64 -4.93 115.64 106.62 2wmi s THR 964 Ca 0.61 -1.60 -0.09 0.00 -1.18 0.00 0.00 61.69 59.43 2wmi s THR 964 Cb -0.17 -2.33 -0.04 0.00 1.34 0.00 0.00 72.50 71.30 2wmi s THR 964 CO 0.56 0.03 0.18 -0.63 -0.54 0.00 0.00 174.62 174.23 2wmi s ILE 965 N -1.31 5.42 0.08 2.99 1.01 -1.26 -0.83 121.20 127.30 2wmi s ILE 965 Ca 0.20 0.31 0.02 0.00 0.00 0.00 0.00 60.65 61.17 2wmi s ILE 965 Cb -0.10 -3.47 -0.04 0.00 0.01 0.00 0.00 42.46 38.86 2wmi s ILE 965 CO 0.11 0.56 -0.07 -1.00 0.00 0.00 0.00 174.94 174.54 2wmi s HIS 966 N -0.66 0.84 -1.52 3.97 3.76 0.10 -4.91 115.29 116.86 2wmi s HIS 966 Ca 0.15 -0.82 -0.08 0.00 -0.15 0.00 0.00 55.06 54.16 2wmi s HIS 966 Cb -0.12 -0.49 0.06 0.00 1.11 0.00 0.00 32.58 33.14 2wmi s HIS 966 CO 0.04 -0.13 0.61 0.43 -0.85 0.00 0.00 174.74 174.83 2wmi n SER 967 N 0.31 -1.81 -4.66 1.40 7.64 -1.26 -1.14 113.62 114.09 2wmi n SER 967 Ca -0.15 -0.98 -0.43 0.00 1.01 0.00 0.00 58.87 58.33 2wmi n SER 967 Cb 0.59 -3.06 -0.02 0.00 -1.01 0.00 0.00 64.21 60.71 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 -7.10 4.20 0.18 -3.43 2.96 -1.26 -4.10 118.68 110.14 2wmi s LEU 968 Ca 0.32 1.74 -0.09 0.00 -0.22 0.00 0.00 54.13 55.88 2wmi s LEU 968 Cb -0.17 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 42.97 2wmi s LEU 968 CO 0.89 -0.74 0.31 -0.94 -1.32 0.00 0.00 176.35 174.55 2wmi s SER 969 N 1.96 0.02 0.00 3.68 1.04 -0.69 -5.02 113.70 114.68 2wmi s SER 969 Ca 0.56 -0.91 0.00 0.00 0.48 0.00 0.00 55.95 56.07 2wmi s SER 969 Cb -0.23 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.35 2wmi s SER 969 CO 0.16 -0.93 0.00 0.61 0.98 0.00 0.00 173.24 174.06 2wmi n GLY 970 N -0.25 -1.47 3.61 7.32 0.00 -1.26 -0.93 105.19 112.21 2wmi n GLY 970 Ca -0.06 -1.02 -0.49 0.00 0.00 0.00 0.00 46.02 44.45 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 2.30 0.45 -1.65 2.61 -1.04 -0.13 -4.84 114.28 111.99 2wmi n THR 971 Ca 0.00 -0.11 -0.47 0.00 -2.04 0.00 0.00 64.05 61.42 2wmi n THR 971 Cb 0.00 -1.00 -0.05 0.00 -1.82 0.00 0.00 70.33 67.46 2wmi n THR 971 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 2wmi n ASN 972 N 2.40 2.77 -3.20 8.00 5.15 -1.26 -2.69 115.26 126.42 2wmi n ASN 972 Ca 0.16 1.09 -0.23 0.00 -0.60 0.00 0.00 54.58 55.00 2wmi n ASN 972 Cb 0.24 -1.37 0.04 0.00 -0.53 0.00 0.00 39.78 38.16 2wmi n ASN 972 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2wmi n ASN 973 N 3.22 -5.97 0.00 1.20 5.03 -1.26 -4.89 115.26 112.59 2wmi n ASN 973 Ca 0.17 -0.37 0.00 0.00 0.87 0.00 0.00 54.58 55.25 2wmi n ASN 973 Cb 0.27 -4.80 0.00 0.00 -1.02 0.00 0.00 39.78 34.23 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 -2.63 0.64 -3.85 6.41 3.41 -1.10 -5.04 113.62 111.47 2wmi n SER 974 Ca -0.07 -0.86 -0.12 0.00 -0.26 0.00 0.00 58.87 57.56 2wmi n SER 974 Cb 0.60 0.22 -0.11 0.00 -0.26 0.00 0.00 64.21 64.66 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 -0.22 -0.05 0.60 7.33 -0.85 -1.26 -1.07 117.35 121.83 2wmi s TYR 975 Ca 0.00 0.11 -0.08 0.00 -0.52 0.00 0.00 57.07 56.58 2wmi s TYR 975 Cb 0.00 -0.00 -0.00 0.00 0.38 0.00 0.00 41.96 42.34 2wmi s TYR 975 CO 0.00 -0.20 0.94 -0.51 -1.52 0.00 0.00 175.55 174.26 2wmi s ASP 976 N -0.74 5.72 0.08 -0.18 1.01 -0.52 -5.02 116.67 117.02 2wmi s ASP 976 Ca -0.08 0.91 -0.31 0.00 0.71 0.00 0.00 52.55 53.78 2wmi s ASP 976 Cb -0.05 -1.91 -0.08 0.00 1.01 0.00 0.00 42.92 41.89 2wmi s ASP 976 CO 0.01 -1.04 1.63 -1.58 0.21 0.00 0.00 175.17 174.40 2wmi s GLN 977 N -5.06 4.21 0.56 8.23 2.00 -1.26 -4.69 119.66 123.65 2wmi s GLN 977 Ca 0.54 2.31 -0.20 0.00 -2.00 0.00 0.00 55.36 56.01 2wmi s GLN 977 Cb -0.11 -3.55 -0.06 0.00 0.80 0.00 0.00 33.01 30.10 2wmi s GLN 977 CO 0.47 -0.71 1.06 -2.30 -0.50 0.00 0.00 175.29 173.32 2wmi n PRO 978 N 5.39 1.14 -4.24 1.67 -0.02 -1.26 -4.92 135.00 132.76 2wmi n PRO 978 Ca 0.15 0.43 -0.35 0.00 -2.02 0.00 0.00 63.50 61.72 2wmi n PRO 978 Cb 0.40 -2.24 -0.10 0.00 -0.02 0.00 0.00 33.50 31.54 2wmi n PRO 978 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2wmi s SER 979 N -1.10 5.34 -0.01 2.55 0.15 -0.44 -4.95 113.70 115.24 2wmi s SER 979 Ca 0.73 0.10 0.04 0.00 0.70 0.00 0.00 55.95 57.52 2wmi s SER 979 Cb -0.44 -1.71 -0.03 0.00 -1.71 0.00 0.00 66.02 62.13 2wmi s SER 979 CO 0.49 0.28 -0.12 -0.76 1.20 0.00 0.00 173.24 174.33 2wmi s LEU 980 N -0.31 2.88 -0.21 3.45 1.02 -1.26 -0.47 118.68 123.78 2wmi s LEU 980 Ca 0.07 -0.23 -0.03 0.00 0.02 0.00 0.00 54.13 53.95 2wmi s LEU 980 Cb -0.12 -1.65 0.07 0.00 0.02 0.00 0.00 46.19 44.51 2wmi s LEU 980 CO 0.02 0.30 0.06 0.21 0.02 0.00 0.00 176.35 176.96 2wmi s ASN 981 N -1.19 2.93 -0.28 2.29 3.84 -0.05 -4.98 114.94 117.51 2wmi s ASN 981 Ca 0.14 -0.88 -0.09 0.00 0.21 0.00 0.00 52.86 52.25 2wmi s ASN 981 Cb -0.11 -0.52 -0.02 0.00 -0.55 0.00 0.00 41.25 40.05 2wmi s ASN 981 CO 0.04 -0.33 0.12 0.12 -2.79 0.00 0.00 177.10 174.26 2wmi s PHE 982 N 1.92 3.14 -0.62 0.43 5.36 -1.26 -0.63 117.98 126.32 2wmi s PHE 982 Ca 0.01 -0.45 -0.14 0.00 -0.96 0.00 0.00 56.93 55.40 2wmi s PHE 982 Cb -0.17 -2.30 0.16 0.00 -0.34 0.00 0.00 43.02 40.37 2wmi s PHE 982 CO -0.12 -0.39 0.55 0.34 -1.46 0.00 0.00 175.22 174.15 2wmi s ASP 983 N 1.63 6.24 0.30 6.13 -1.08 0.32 -4.96 116.67 125.24 2wmi s ASP 983 Ca 0.06 -2.13 -0.02 0.00 -0.52 0.00 0.00 52.55 49.94 2wmi s ASP 983 Cb -0.16 -2.16 0.45 0.00 -1.46 0.00 0.00 42.92 39.59 2wmi s ASP 983 CO 0.05 -0.73 1.94 -0.61 0.52 0.00 0.00 175.17 176.35 2wmi h GLN 984 N 8.40 1.00 -0.07 4.34 5.75 -1.95 -2.19 115.11 130.40 2wmi h GLN 984 Ca -0.15 -0.09 -0.13 0.00 -0.15 0.00 0.00 58.65 58.12 2wmi h GLN 984 Cb 1.07 -0.21 -0.01 0.00 1.07 0.00 0.00 27.48 29.40 2wmi h GLN 984 CO 0.91 0.71 -0.56 1.57 -2.65 0.00 0.00 178.83 178.81 2wmi h LYS 985 N 1.02 0.20 -0.66 1.69 2.10 -1.94 -2.96 116.57 116.02 2wmi h LYS 985 Ca 0.26 -0.13 0.00 0.00 -2.00 0.00 0.00 60.65 58.79 2wmi h LYS 985 Cb -0.02 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.32 2wmi h LYS 985 CO -0.05 0.71 0.00 0.09 -2.00 0.00 0.00 179.45 178.20 2wmi n ASN 986 N -3.90 3.88 -4.01 7.07 5.03 -0.87 -4.94 115.26 117.53 2wmi n ASN 986 Ca -0.02 -2.16 -0.31 0.00 0.87 0.00 0.00 54.58 52.96 2wmi n ASN 986 Cb 0.59 -0.49 0.00 0.00 -1.02 0.00 0.00 39.78 38.86 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 1.29 -2.04 -3.92 3.10 8.25 -0.93 -4.62 115.22 116.35 2wmi n HIS 987 Ca 0.23 0.85 -0.10 0.00 -0.26 0.00 0.00 57.72 58.44 2wmi n HIS 987 Cb 0.66 -3.63 -0.11 0.00 1.12 0.00 0.00 29.99 28.03 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 -6.68 0.31 -0.03 -0.41 0.23 -1.11 0.10 119.30 111.70 2wmi s MET 988 Ca 0.60 -0.41 0.01 0.00 -1.03 0.00 0.00 55.69 54.86 2wmi s MET 988 Cb -0.31 0.12 0.01 0.00 -1.53 0.00 0.00 34.83 33.12 2wmi s MET 988 CO 0.87 -0.06 -0.05 0.08 -2.03 0.00 0.00 175.02 173.83 2wmi s VAL 989 N -1.13 0.55 -0.25 5.16 1.01 -0.76 -0.52 120.40 124.45 2wmi s VAL 989 Ca -0.12 -0.18 -0.09 0.00 0.00 0.00 0.00 61.98 61.59 2wmi s VAL 989 Cb -0.07 -0.54 -0.04 0.00 0.00 0.00 0.00 36.38 35.73 2wmi s VAL 989 CO -0.00 0.21 0.12 -0.89 0.00 0.00 0.00 175.10 174.53 2wmi s THR 990 N 0.60 4.78 -0.22 3.92 2.01 0.20 -0.99 115.64 125.95 2wmi s THR 990 Ca -0.08 -0.01 -0.08 0.00 0.31 0.00 0.00 61.69 61.83 2wmi s THR 990 Cb -0.11 -3.24 -0.04 0.00 0.01 0.00 0.00 72.50 69.11 2wmi s THR 990 CO 0.00 0.32 0.09 -0.63 -0.69 0.00 0.00 174.62 173.71 2wmi s ILE 991 N 1.49 4.75 -0.20 1.82 1.09 0.73 -0.87 121.20 130.00 2wmi s ILE 991 Ca 0.06 -0.04 -0.03 0.00 -1.10 0.00 0.00 60.65 59.55 2wmi s ILE 991 Cb -0.15 -3.19 -0.01 0.00 -1.06 0.00 0.00 42.46 38.06 2wmi s ILE 991 CO 0.06 0.39 -0.07 -0.89 -0.10 0.00 0.00 174.94 174.33 2wmi s THR 992 N 0.99 3.23 -0.09 2.92 2.01 0.38 -1.67 115.64 123.41 2wmi s THR 992 Ca 0.05 -0.55 0.01 0.00 0.31 0.00 0.00 61.69 61.51 2wmi s THR 992 Cb -0.14 -2.45 -0.02 0.00 0.01 0.00 0.00 72.50 69.90 2wmi s THR 992 CO 0.03 0.45 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.66 2wmi s ILE 993 N 1.30 3.22 -0.21 1.82 1.01 -0.19 -1.33 121.20 126.83 2wmi s ILE 993 Ca 0.04 -0.64 0.00 0.00 0.00 0.00 0.00 60.65 60.05 2wmi s ILE 993 Cb -0.14 -2.31 0.05 0.00 0.01 0.00 0.00 42.46 40.07 2wmi s ILE 993 CO -0.03 0.56 -0.06 0.21 0.00 0.00 0.00 174.94 175.62 2wmi s ASN 994 N -0.33 3.49 0.20 3.58 3.04 -1.26 -1.21 114.94 122.45 2wmi s ASN 994 Ca 0.03 -0.99 -0.23 0.00 0.04 0.00 0.00 52.86 51.71 2wmi s ASN 994 Cb -0.13 -1.11 0.05 0.00 -1.54 0.00 0.00 41.25 38.53 2wmi s ASN 994 CO 0.02 -0.21 0.81 -0.94 -3.04 0.00 0.00 177.10 173.75 2wmi s SER 995 N 1.47 -0.27 -0.37 -4.21 1.04 -0.83 -1.44 113.70 109.09 2wmi s SER 995 Ca -0.03 -0.42 0.05 0.00 0.48 0.00 0.00 55.95 56.03 2wmi s SER 995 Cb -0.17 0.60 0.17 0.00 0.10 0.00 0.00 66.02 66.72 2wmi s SER 995 CO -0.07 -1.08 0.52 0.21 0.98 0.00 0.00 173.24 173.79 2wmi s ASN 996 N -2.88 -0.44 0.00 7.02 3.04 -0.23 -0.83 114.94 120.62 2wmi s ASN 996 Ca 0.10 -0.85 0.00 0.00 0.04 0.00 0.00 52.86 52.15 2wmi s ASN 996 Cb -0.03 1.42 0.00 0.00 -1.54 0.00 0.00 41.25 41.10 2wmi s ASN 996 CO 0.02 -0.24 0.00 0.61 -3.04 0.00 0.00 177.10 174.45 2wmi n GLY 997 N 4.63 -0.50 3.94 1.21 0.00 -1.26 -4.78 105.19 108.43 2wmi n GLY 997 Ca 0.09 -1.07 -0.24 0.00 0.00 0.00 0.00 46.02 44.80 2wmi n GLY 997 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wmi s ASN 998 N -4.00 6.12 -0.26 1.61 4.22 -1.26 -2.08 114.94 119.29 2wmi s ASN 998 Ca 0.00 0.51 -0.22 0.00 -2.14 0.00 0.00 52.86 51.01 2wmi s ASN 998 Cb 0.00 -1.92 0.07 0.00 1.28 0.00 0.00 41.25 40.68 2wmi s ASN 998 CO 0.00 -0.51 0.68 -0.22 -2.04 0.00 0.00 177.10 175.01 2wmi s LEU 999 N -4.50 -0.64 -0.01 3.54 2.96 -0.28 -0.96 118.68 118.79 2wmi s LEU 999 Ca 0.44 1.38 -0.07 0.00 -0.22 0.00 0.00 54.13 55.67 2wmi s LEU 999 Cb -0.10 2.33 0.00 0.00 0.50 0.00 0.00 46.19 48.92 2wmi s LEU 999 CO 0.39 -0.24 0.13 -1.83 -1.32 0.00 0.00 176.35 173.48 2wmi s GLU 1000N 0.53 0.42 0.10 1.98 -1.05 -0.11 -0.07 118.70 120.50 2wmi s GLU 1000Ca -0.01 -0.29 -0.26 0.00 -0.15 0.00 0.00 54.97 54.25 2wmi s GLU 1000Cb -0.05 0.17 0.08 0.00 -0.44 0.00 0.00 34.13 33.89 2wmi s GLU 1000CO -0.02 -0.09 0.94 -0.59 0.95 0.00 0.00 175.26 176.44 2wmi s PHE 1001N -1.11 -0.20 0.05 4.83 -0.12 -0.72 -1.71 117.98 119.00 2wmi s PHE 1001Ca -0.12 -0.04 0.08 0.00 -0.05 0.00 0.00 56.93 56.79 2wmi s PHE 1001Cb -0.06 0.60 -0.03 0.00 -0.63 0.00 0.00 43.02 42.90 2wmi s PHE 1001CO 0.01 -0.73 -0.19 -1.21 -0.05 0.00 0.00 175.22 173.05 2wmi s GLU 1002N -3.22 2.00 -0.18 1.99 2.02 -0.29 0.18 118.70 121.20 2wmi s GLU 1002Ca 0.10 -1.02 -0.06 0.00 0.02 0.00 0.00 54.97 54.01 2wmi s GLU 1002Cb -0.01 -2.15 -0.03 0.00 0.10 0.00 0.00 34.13 32.03 2wmi s GLU 1002CO -0.02 0.53 0.02 -0.51 0.02 0.00 0.00 175.26 175.30 2wmi s LEU 1003N -1.49 3.52 -0.16 1.80 1.43 0.72 -0.72 118.68 123.77 2wmi s LEU 1003Ca 0.15 -0.04 -0.05 0.00 -1.03 0.00 0.00 54.13 53.16 2wmi s LEU 1003Cb -0.10 -1.88 -0.03 0.00 0.03 0.00 0.00 46.19 44.21 2wmi s LEU 1003CO 0.05 0.16 -0.01 -1.00 0.23 0.00 0.00 176.35 175.78 2wmi s HIS 1004N 0.47 3.08 0.00 0.29 3.76 -0.01 -1.20 115.29 121.67 2wmi s HIS 1004Ca -0.00 -0.22 0.00 0.00 -0.15 0.00 0.00 55.06 54.69 2wmi s HIS 1004Cb -0.13 -1.99 0.00 0.00 1.11 0.00 0.00 32.58 31.56 2wmi s HIS 1004CO 0.02 -0.00 0.00 1.97 -0.85 0.00 0.00 174.74 175.87