#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kmf s LEU 402 N 0.00 3.98 0.64 6.55 1.43 -1.26 -5.03 118.68 124.99 3kmf s LEU 402 Ca 0.00 0.86 -0.14 0.00 -1.03 0.00 0.00 54.13 53.83 3kmf s LEU 402 Cb 0.00 -3.38 -0.01 0.00 0.03 0.00 0.00 46.19 42.83 3kmf s LEU 402 CO 0.00 -0.82 1.06 -0.94 0.23 0.00 0.00 176.35 175.88 3kmf s SER 403 N 1.70 5.55 0.23 2.29 1.04 -1.26 -4.83 113.70 118.41 3kmf s SER 403 Ca 0.41 1.76 -0.10 0.00 0.48 0.00 0.00 55.95 58.50 3kmf s SER 403 Cb -0.13 -2.52 0.35 0.00 0.10 0.00 0.00 66.02 63.83 3kmf s SER 403 CO 0.15 -1.33 1.63 -0.65 0.98 0.00 0.00 173.24 174.03 3kmf h PRO 404 N -0.05 0.06 -0.43 4.02 0.11 -2.00 0.77 132.00 134.47 3kmf h PRO 404 Ca -0.46 -0.00 0.13 0.00 0.11 0.00 0.00 66.00 65.78 3kmf h PRO 404 Cb 1.22 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 3kmf h PRO 404 CO 0.57 0.04 0.42 0.00 -0.21 0.00 0.00 178.00 178.82 3kmf h ALA 405 N 1.69 2.18 -0.01 -0.75 0.00 -1.99 -1.00 119.26 119.38 3kmf h ALA 405 Ca 0.37 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 55.10 3kmf h ALA 405 Cb 0.62 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.45 3kmf h ALA 405 CO -0.67 -0.64 -0.64 -0.44 0.00 0.00 0.00 179.25 176.85 3kmf h ASP 406 N 0.00 0.58 -0.13 0.00 3.32 0.23 -2.52 116.42 117.89 3kmf h ASP 406 Ca 0.21 -0.75 -0.16 0.00 0.02 0.00 0.00 57.03 56.35 3kmf h ASP 406 Cb 1.05 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.41 3kmf h ASP 406 CO -0.00 1.25 -0.46 0.11 -1.72 0.00 0.00 179.24 178.42 3kmf h LYS 407 N -0.03 0.69 -0.65 3.56 1.57 -0.93 -0.90 116.57 119.88 3kmf h LYS 407 Ca -0.08 -0.39 -0.07 0.00 -1.87 0.00 0.00 60.65 58.24 3kmf h LYS 407 Cb 1.34 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.65 3kmf h LYS 407 CO 0.13 1.01 0.14 1.15 -0.57 0.00 0.00 179.45 181.31 3kmf h THR 408 N 0.55 1.26 0.54 -0.16 2.02 -1.41 0.15 112.91 115.86 3kmf h THR 408 Ca 0.03 -0.97 -0.03 0.00 0.77 0.00 0.00 66.41 66.22 3kmf h THR 408 Cb 1.01 0.63 0.01 0.00 -1.74 0.00 0.00 68.15 68.06 3kmf h THR 408 CO 0.10 0.37 -0.26 0.78 0.37 0.00 0.00 175.52 176.87 3kmf h ASN 409 N 0.98 -0.61 -0.67 4.18 2.35 -1.29 0.03 115.58 120.55 3kmf h ASN 409 Ca 0.20 0.02 0.13 0.00 -0.55 0.00 0.00 56.30 56.10 3kmf h ASN 409 Cb 0.39 0.16 -0.13 0.00 0.05 0.00 0.00 38.32 38.79 3kmf h ASN 409 CO 0.01 -0.32 -0.22 0.58 -1.65 0.00 0.00 177.43 175.83 3kmf h VAL 410 N -0.95 0.27 -0.66 2.81 2.07 -1.17 0.11 116.25 118.72 3kmf h VAL 410 Ca -0.07 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.42 3kmf h VAL 410 Cb 0.55 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 3kmf h VAL 410 CO 0.12 0.00 0.31 0.11 0.02 0.00 0.00 177.57 178.13 3kmf h LYS 411 N -0.04 0.95 0.28 1.57 1.57 -1.00 -1.31 116.57 118.58 3kmf h LYS 411 Ca 0.31 -0.14 -0.00 0.00 -1.87 0.00 0.00 60.65 58.94 3kmf h LYS 411 Cb 0.52 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 3kmf h LYS 411 CO -0.71 0.76 -0.22 0.00 -0.57 0.00 0.00 179.45 178.71 3kmf h ALA 412 N 1.14 -0.49 -0.02 3.86 0.00 0.12 -0.29 119.26 123.58 3kmf h ALA 412 Ca 0.23 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 3kmf h ALA 412 Cb 0.13 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3kmf h ALA 412 CO -0.03 -0.80 -0.55 0.00 0.00 0.00 0.00 179.25 177.88 3kmf h ALA 413 N 0.16 1.07 0.00 0.00 0.00 -1.08 -2.72 119.26 116.68 3kmf h ALA 413 Ca -0.02 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3kmf h ALA 413 Cb 0.45 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3kmf h ALA 413 CO -0.02 0.68 0.00 2.35 0.00 0.00 0.00 179.25 182.27 3kmf h TRP 414 N 0.03 0.00 0.10 0.00 2.91 -1.10 -2.99 115.95 114.90 3kmf h TRP 414 Ca -0.00 0.00 -0.26 0.00 1.13 0.00 0.00 58.89 59.76 3kmf h TRP 414 Cb 0.98 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 29.62 3kmf h TRP 414 CO 0.00 0.00 -1.18 0.78 -1.03 0.00 0.00 178.44 177.02 3kmf h GLY 415 N 3.89 0.24 1.16 2.65 0.00 -0.74 -3.26 103.07 107.01 3kmf h GLY 415 Ca 0.00 -0.61 -0.11 0.00 0.00 0.00 0.00 47.33 46.60 3kmf h GLY 415 CO 0.00 0.54 -0.13 1.70 0.00 0.00 0.00 176.54 178.65 3kmf h LYS 416 N 0.06 0.98 0.01 4.80 3.11 -1.38 -3.24 116.57 120.91 3kmf h LYS 416 Ca -0.10 -0.36 0.00 0.00 -2.81 0.00 0.00 60.65 57.38 3kmf h LYS 416 Cb 1.91 -0.06 -0.01 0.00 -1.00 0.00 0.00 32.23 33.07 3kmf h LYS 416 CO 0.19 1.04 -0.08 0.28 -2.81 0.00 0.00 179.45 178.06 3kmf h VAL 417 N 0.87 0.00 0.00 2.00 2.07 -1.58 -3.46 116.25 116.15 3kmf h VAL 417 Ca 0.13 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.65 3kmf h VAL 417 Cb 0.68 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 3kmf h VAL 417 CO 0.05 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.25 3kmf n GLY 418 N -1.07 2.84 0.35 2.17 0.00 -1.22 -3.38 105.19 104.87 3kmf n GLY 418 Ca -0.01 -0.23 0.06 0.00 0.00 0.00 0.00 46.02 45.84 3kmf n GLY 418 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kmf h ALA 419 N -0.59 1.71 0.00 4.61 0.00 -1.92 -2.90 119.26 120.17 3kmf h ALA 419 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3kmf h ALA 419 Cb 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.60 3kmf h ALA 419 CO 0.00 0.19 0.00 0.72 0.00 0.00 0.00 179.25 180.16 3kmf n HIS 420 N -4.47 0.07 -0.30 0.00 -0.00 -1.22 -3.87 115.22 105.43 3kmf n HIS 420 Ca 0.10 0.03 0.00 0.00 -0.00 0.00 0.00 57.72 57.85 3kmf n HIS 420 Cb 0.20 -0.55 0.07 0.00 -0.00 0.00 0.00 29.99 29.71 3kmf n HIS 420 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3kmf h ALA 421 N 2.11 0.34 -0.28 -1.41 0.00 -1.76 0.11 119.26 118.37 3kmf h ALA 421 Ca 0.00 0.28 0.05 0.00 0.00 0.00 0.00 54.91 55.25 3kmf h ALA 421 Cb 0.06 0.75 -0.05 0.00 0.00 0.00 0.00 17.79 18.55 3kmf h ALA 421 CO 0.00 -0.51 -0.05 0.78 0.00 0.00 0.00 179.25 179.47 3kmf h GLY 422 N -0.04 0.22 0.97 0.00 0.00 -1.87 0.20 103.07 102.55 3kmf h GLY 422 Ca 0.36 0.07 0.01 0.00 0.00 0.00 0.00 47.33 47.77 3kmf h GLY 422 CO -0.86 -0.09 0.29 -2.09 0.00 0.00 0.00 176.54 173.79 3kmf h GLU 423 N 0.02 0.57 -0.19 4.80 4.57 -1.29 -1.95 114.58 121.11 3kmf h GLU 423 Ca 0.14 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.28 3kmf h GLU 423 Cb 0.20 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.65 3kmf h GLU 423 CO -0.27 0.38 0.10 1.88 -1.18 0.00 0.00 179.01 179.92 3kmf h TYR 424 N 0.59 0.27 -0.37 0.92 0.99 -0.18 -2.78 116.97 116.41 3kmf h TYR 424 Ca 0.17 -0.01 0.03 0.00 2.00 0.00 0.00 58.73 60.92 3kmf h TYR 424 Cb -0.04 -0.08 -0.03 0.00 1.00 0.00 0.00 36.73 37.57 3kmf h TYR 424 CO -0.05 0.26 0.19 0.78 -0.00 0.00 0.00 178.16 179.34 3kmf h GLY 425 N 0.19 0.51 0.24 3.88 0.00 -0.51 -2.39 103.07 104.99 3kmf h GLY 425 Ca 0.07 -0.13 0.17 0.00 0.00 0.00 0.00 47.33 47.44 3kmf h GLY 425 CO -0.01 0.10 0.61 0.00 0.00 0.00 0.00 176.54 177.24 3kmf h ALA 426 N 1.19 1.72 0.00 3.60 0.00 -1.18 -1.37 119.26 123.23 3kmf h ALA 426 Ca 0.16 0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.98 3kmf h ALA 426 Cb 0.06 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3kmf h ALA 426 CO -0.11 -0.05 -0.69 1.49 0.00 0.00 0.00 179.25 179.89 3kmf h GLU 427 N 0.77 0.00 0.00 0.00 4.81 -1.17 -3.17 114.58 115.81 3kmf h GLU 427 Ca 0.54 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.73 3kmf h GLU 427 Cb 0.84 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.21 3kmf h GLU 427 CO -0.32 0.69 -0.20 0.00 -0.73 0.00 0.00 179.01 178.45 3kmf h ALA 428 N 1.31 1.53 0.09 2.92 0.00 -0.83 -2.12 119.26 122.15 3kmf h ALA 428 Ca -0.01 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.60 3kmf h ALA 428 Cb 1.26 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 19.04 3kmf h ALA 428 CO 0.09 0.25 -0.52 -0.07 0.00 0.00 0.00 179.25 179.00 3kmf h LEU 429 N 0.00 0.31 -1.80 0.00 3.38 -1.54 -2.76 115.31 112.90 3kmf h LEU 429 Ca -0.00 -0.96 0.07 0.00 0.09 0.00 0.00 57.88 57.08 3kmf h LEU 429 Cb 0.39 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 3kmf h LEU 429 CO 0.03 1.24 0.27 -0.08 0.09 0.00 0.00 178.44 179.99 3kmf h GLU 430 N -0.57 0.24 0.00 1.13 4.81 -1.49 0.75 114.58 119.45 3kmf h GLU 430 Ca -0.09 -0.01 -0.16 0.00 -0.13 0.00 0.00 59.36 58.97 3kmf h GLU 430 Cb 1.40 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.70 3kmf h GLU 430 CO 0.10 0.16 -0.74 0.00 -0.73 0.00 0.00 179.01 177.79 3kmf h ARG 431 N 0.25 0.00 -0.01 1.92 3.08 -1.46 -2.70 114.38 115.45 3kmf h ARG 431 Ca 0.18 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 60.06 3kmf h ARG 431 Cb 0.38 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.44 3kmf h ARG 431 CO -0.03 0.74 -0.64 1.98 -1.07 0.00 0.00 179.97 180.95 3kmf h MET 432 N 0.00 0.46 -0.04 0.04 4.05 0.58 -0.90 114.93 119.11 3kmf h MET 432 Ca -0.01 -0.47 -0.09 0.00 -0.28 0.00 0.00 59.70 58.85 3kmf h MET 432 Cb 1.37 0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 32.29 3kmf h MET 432 CO 0.10 1.12 -0.40 0.74 0.23 0.00 0.00 176.91 178.70 3kmf h PHE 433 N -0.02 0.11 0.04 1.39 0.04 -0.34 0.24 116.94 118.40 3kmf h PHE 433 Ca -0.08 -0.03 -0.28 0.00 2.80 0.00 0.00 57.97 60.39 3kmf h PHE 433 Cb 1.34 -0.02 -0.03 0.00 2.20 0.00 0.00 35.95 39.43 3kmf h PHE 433 CO 0.14 0.48 -1.49 -0.07 -0.60 0.00 0.00 178.31 176.76 3kmf h LEU 434 N 0.08 0.15 0.00 1.54 3.38 -1.53 -3.25 115.31 115.67 3kmf h LEU 434 Ca 0.01 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.72 3kmf h LEU 434 Cb 0.74 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 3kmf h LEU 434 CO 0.06 1.19 -1.27 -1.20 0.09 0.00 0.00 178.44 177.30 3kmf n SER 435 N -3.28 0.67 -3.29 -0.43 7.64 -0.34 -4.61 113.62 109.98 3kmf n SER 435 Ca -0.13 0.26 -0.25 0.00 1.01 0.00 0.00 58.87 59.76 3kmf n SER 435 Cb 1.02 0.73 -0.08 0.00 -1.01 0.00 0.00 64.21 64.87 3kmf n SER 435 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 3kmf n PHE 436 N -2.62 -0.58 -0.11 1.43 3.01 0.83 -5.00 117.46 114.42 3kmf n PHE 436 Ca -0.03 -3.45 0.26 0.00 1.01 0.00 0.00 57.45 55.25 3kmf n PHE 436 Cb 0.60 -0.07 0.62 0.00 -0.01 0.00 0.00 39.48 40.62 3kmf n PHE 436 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 3kmf h PRO 437 N 4.77 0.00 0.00 -1.08 0.11 -1.73 -0.99 132.00 133.08 3kmf h PRO 437 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 3kmf h PRO 437 Cb 0.89 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.00 3kmf h PRO 437 CO 0.42 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.46 3kmf n THR 438 N -3.55 0.46 1.14 -1.15 -2.24 -1.26 -1.78 114.28 105.90 3kmf n THR 438 Ca 0.17 0.12 0.12 0.00 -2.27 0.00 0.00 64.05 62.19 3kmf n THR 438 Cb 1.12 -0.86 0.20 0.00 -2.10 0.00 0.00 70.33 68.70 3kmf n THR 438 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3kmf n THR 439 N -1.24 0.00 0.21 4.28 -2.24 -0.38 -3.74 114.28 111.18 3kmf n THR 439 Ca 0.08 -0.33 0.11 0.00 -2.27 0.00 0.00 64.05 61.65 3kmf n THR 439 Cb 0.11 1.06 0.17 0.00 -2.10 0.00 0.00 70.33 69.57 3kmf n THR 439 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3kmf h LYS 440 N 3.09 0.00 -0.87 -0.78 1.57 -1.53 -3.28 116.57 114.77 3kmf h LYS 440 Ca 0.00 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.85 3kmf h LYS 440 Cb 0.76 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.00 3kmf h LYS 440 CO 0.00 0.05 0.54 1.79 -0.57 0.00 0.00 179.45 181.25 3kmf h THR 441 N 0.00 1.02 0.00 -0.16 1.35 -1.73 -1.65 112.91 111.74 3kmf h THR 441 Ca -0.00 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 3kmf h THR 441 Cb 1.03 -0.02 0.00 0.00 -1.73 0.00 0.00 68.15 67.42 3kmf h THR 441 CO 0.01 0.18 0.00 -1.22 -0.25 0.00 0.00 175.52 174.23 3kmf n TYR 442 N -4.63 0.00 -3.14 4.73 4.01 -1.24 -3.62 117.16 113.28 3kmf n TYR 442 Ca 0.13 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.65 3kmf n TYR 442 Cb 0.20 -0.31 -0.04 0.00 -0.31 0.00 0.00 39.34 38.88 3kmf n TYR 442 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3kmf n PHE 443 N -1.31 1.59 1.20 -0.72 3.01 -0.62 -4.88 117.46 115.74 3kmf n PHE 443 Ca 0.05 -3.87 0.14 0.00 1.01 0.00 0.00 57.45 54.78 3kmf n PHE 443 Cb 0.09 -0.44 0.65 0.00 -0.01 0.00 0.00 39.48 39.76 3kmf n PHE 443 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 3kmf n PRO 444 N 0.34 0.23 -0.48 -1.08 -0.04 -1.24 -3.20 135.00 129.52 3kmf n PRO 444 Ca 0.27 -0.02 0.10 0.00 -0.04 0.00 0.00 63.50 63.81 3kmf n PRO 444 Cb 0.54 -1.50 0.33 0.00 -0.04 0.00 0.00 33.50 32.83 3kmf n PRO 444 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 3kmf n HIS 445 N -1.36 1.21 -4.26 0.54 1.44 -1.26 -4.95 115.22 106.57 3kmf n HIS 445 Ca 0.10 -0.56 -0.24 0.00 -2.01 0.00 0.00 57.72 55.01 3kmf n HIS 445 Cb 0.30 -0.13 -0.08 0.00 0.12 0.00 0.00 29.99 30.20 3kmf n HIS 445 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 3kmf s PHE 446 N -1.44 2.60 -0.42 -1.40 2.99 -1.20 -5.09 117.98 114.01 3kmf s PHE 446 Ca 0.49 -0.43 -0.10 0.00 0.00 0.00 0.00 56.93 56.89 3kmf s PHE 446 Cb 0.29 -1.57 0.08 0.00 0.00 0.00 0.00 43.02 41.82 3kmf s PHE 446 CO 0.28 0.42 0.27 0.34 -0.00 0.00 0.00 175.22 176.53 3kmf s ASP 447 N -3.77 5.70 -0.18 1.36 2.15 -1.26 -4.98 116.67 115.69 3kmf s ASP 447 Ca 0.36 -1.47 0.04 0.00 0.43 0.00 0.00 52.55 51.91 3kmf s ASP 447 Cb -0.00 -2.01 0.38 0.00 -0.30 0.00 0.00 42.92 40.99 3kmf s ASP 447 CO 0.20 -0.55 1.32 0.18 -0.17 0.00 0.00 175.17 176.16 3kmf n LEU 448 N 4.95 4.26 -4.87 -1.34 4.77 -1.26 -4.69 117.00 118.82 3kmf n LEU 448 Ca -0.10 -2.20 -0.31 0.00 -0.03 0.00 0.00 56.01 53.36 3kmf n LEU 448 Cb 0.43 -0.64 -0.05 0.00 -2.33 0.00 0.00 43.42 40.83 3kmf n LEU 448 CO 0.40 0.63 0.36 -0.94 -1.33 0.00 0.00 177.39 176.50 3kmf s SER 449 N -0.28 6.63 0.14 -1.43 1.04 -1.26 -4.97 113.70 113.57 3kmf s SER 449 Ca 0.29 1.09 -0.34 0.00 0.48 0.00 0.00 55.95 57.47 3kmf s SER 449 Cb 0.23 -2.30 -0.16 0.00 0.10 0.00 0.00 66.02 63.89 3kmf s SER 449 CO 0.07 -0.23 1.16 1.57 0.98 0.00 0.00 173.24 176.79 3kmf n HIS 450 N -0.66 1.20 -0.70 5.02 -0.00 -1.26 -0.81 115.22 118.01 3kmf n HIS 450 Ca 0.02 0.72 0.00 0.00 0.46 0.00 0.00 57.72 58.92 3kmf n HIS 450 Cb 0.53 -2.26 0.00 0.00 -0.12 0.00 0.00 29.99 28.14 3kmf n HIS 450 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3kmf n GLY 451 N 2.08 0.79 3.66 1.57 0.00 -1.26 -5.00 105.19 107.03 3kmf n GLY 451 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 3kmf n GLY 451 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3kmf n SER 452 N 0.00 4.03 -0.37 1.61 2.88 0.01 -4.87 113.62 116.91 3kmf n SER 452 Ca 0.00 0.91 -0.02 0.00 -1.33 0.00 0.00 58.87 58.43 3kmf n SER 452 Cb 0.00 -1.50 0.10 0.00 -0.75 0.00 0.00 64.21 62.07 3kmf n SER 452 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3kmf h ALA 453 N 10.37 1.25 -0.65 -1.46 0.00 -1.89 -2.31 119.26 124.56 3kmf h ALA 453 Ca -0.50 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 54.42 3kmf h ALA 453 Cb 1.25 -0.40 -0.07 0.00 0.00 0.00 0.00 17.79 18.57 3kmf h ALA 453 CO 0.94 0.65 0.31 1.96 0.00 0.00 0.00 179.25 183.11 3kmf h GLN 454 N 1.34 0.53 -0.38 0.00 4.20 -1.89 0.31 115.11 119.22 3kmf h GLN 454 Ca 0.36 -0.03 -0.09 0.00 0.06 0.00 0.00 58.65 58.95 3kmf h GLN 454 Cb -0.14 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.51 3kmf h GLN 454 CO -0.08 0.35 -0.14 -0.24 -0.67 0.00 0.00 178.83 178.05 3kmf h VAL 455 N 0.54 1.26 -0.04 -0.54 3.04 -1.71 -0.62 116.25 118.17 3kmf h VAL 455 Ca 0.32 -1.17 -0.15 0.00 -1.01 0.00 0.00 66.70 64.69 3kmf h VAL 455 Cb 0.33 1.12 -0.01 0.00 -2.01 0.00 0.00 31.29 30.72 3kmf h VAL 455 CO -0.26 0.39 -0.65 0.11 -1.01 0.00 0.00 177.57 176.15 3kmf h LYS 456 N 0.62 0.16 -0.03 4.17 6.56 -0.79 -1.21 116.57 126.04 3kmf h LYS 456 Ca 0.10 -0.12 -0.15 0.00 -1.06 0.00 0.00 60.65 59.43 3kmf h LYS 456 Cb 0.60 0.02 -0.02 0.00 -0.57 0.00 0.00 32.23 32.26 3kmf h LYS 456 CO 0.04 0.75 -0.66 0.78 -2.06 0.00 0.00 179.45 178.30 3kmf h GLY 457 N 1.66 0.13 0.74 3.86 0.00 -0.00 -2.65 103.07 106.81 3kmf h GLY 457 Ca -0.01 -0.18 -0.15 0.00 0.00 0.00 0.00 47.33 46.99 3kmf h GLY 457 CO 0.10 0.16 -0.59 0.84 0.00 0.00 0.00 176.54 177.05 3kmf h HIS 458 N 0.09 0.57 -1.00 5.60 -0.00 -0.99 -3.17 115.15 116.25 3kmf h HIS 458 Ca -0.01 -0.32 0.16 0.00 -0.00 0.00 0.00 60.37 60.20 3kmf h HIS 458 Cb 1.18 -0.06 -0.09 0.00 -0.00 0.00 0.00 27.41 28.43 3kmf h HIS 458 CO 0.01 1.15 0.62 0.78 -0.00 0.00 0.00 177.93 180.49 3kmf h GLY 459 N -0.17 1.67 0.68 5.26 0.00 -1.21 -0.51 103.07 108.79 3kmf h GLY 459 Ca -0.08 -0.38 0.03 0.00 0.00 0.00 0.00 47.33 46.90 3kmf h GLY 459 CO 0.12 0.05 -0.08 1.70 0.00 0.00 0.00 176.54 178.32 3kmf h LYS 460 N 0.86 -0.10 0.37 4.80 1.63 -1.47 -0.22 116.57 122.44 3kmf h LYS 460 Ca 0.53 0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 60.33 3kmf h LYS 460 Cb 0.72 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.36 3kmf h LYS 460 CO -0.32 -0.07 -0.25 0.87 -3.45 0.00 0.00 179.45 176.23 3kmf h LYS 461 N -0.11 -0.59 -0.74 1.90 1.57 -1.10 -1.30 116.57 116.20 3kmf h LYS 461 Ca 0.06 0.04 0.15 0.00 -1.87 0.00 0.00 60.65 59.03 3kmf h LYS 461 Cb 0.19 0.13 -0.10 0.00 0.08 0.00 0.00 32.23 32.54 3kmf h LYS 461 CO -0.15 -0.39 0.25 0.28 -0.57 0.00 0.00 179.45 178.87 3kmf h VAL 462 N -0.61 0.61 -0.19 0.50 2.07 -1.15 -0.61 116.25 116.86 3kmf h VAL 462 Ca -0.04 -0.13 -0.12 0.00 0.82 0.00 0.00 66.70 67.24 3kmf h VAL 462 Cb 0.52 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 3kmf h VAL 462 CO 0.02 0.07 -0.40 0.00 0.02 0.00 0.00 177.57 177.28 3kmf h ALA 463 N 1.56 0.96 -0.17 1.67 0.00 -0.80 -2.66 119.26 119.82 3kmf h ALA 463 Ca 0.41 -0.43 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 3kmf h ALA 463 Cb 0.65 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3kmf h ALA 463 CO -0.44 0.62 -0.49 -0.44 0.00 0.00 0.00 179.25 178.50 3kmf h ASP 464 N 0.36 0.49 0.56 0.00 5.19 -0.22 -1.91 116.42 120.88 3kmf h ASP 464 Ca 0.03 -0.24 -0.04 0.00 -0.62 0.00 0.00 57.03 56.16 3kmf h ASP 464 Cb 0.86 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 40.23 3kmf h ASP 464 CO 0.07 0.91 -0.20 0.00 -3.12 0.00 0.00 179.24 176.90 3kmf h ALA 465 N 1.11 1.20 0.17 3.45 0.00 -0.96 -0.04 119.26 124.20 3kmf h ALA 465 Ca 0.02 -0.18 -0.32 0.00 0.00 0.00 0.00 54.91 54.43 3kmf h ALA 465 Cb 1.00 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.77 3kmf h ALA 465 CO 0.09 0.24 -1.55 -0.07 0.00 0.00 0.00 179.25 177.96 3kmf h LEU 466 N 0.00 0.58 -1.20 0.00 3.38 -1.12 -2.39 115.31 114.56 3kmf h LEU 466 Ca -0.00 -0.73 -0.04 0.00 0.09 0.00 0.00 57.88 57.20 3kmf h LEU 466 Cb 0.53 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 3kmf h LEU 466 CO 0.03 1.60 0.15 0.74 0.09 0.00 0.00 178.44 181.05 3kmf h THR 467 N 0.10 1.20 -0.53 0.22 2.02 -1.09 0.22 112.91 115.04 3kmf h THR 467 Ca -0.26 -0.67 -0.12 0.00 0.77 0.00 0.00 66.41 66.14 3kmf h THR 467 Cb 2.08 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 69.14 3kmf h THR 467 CO 0.20 0.25 -0.12 -1.13 0.37 0.00 0.00 175.52 175.09 3kmf h ASN 468 N 0.70 1.02 -0.14 4.18 -1.24 -1.01 -2.38 115.58 116.70 3kmf h ASN 468 Ca 0.16 -0.34 -0.16 0.00 0.71 0.00 0.00 56.30 56.66 3kmf h ASN 468 Cb 0.21 -0.28 -0.00 0.00 0.73 0.00 0.00 38.32 38.97 3kmf h ASN 468 CO -0.01 1.14 -0.50 0.00 -1.29 0.00 0.00 177.43 176.77 3kmf h ALA 469 N 0.94 0.64 -0.15 1.57 0.00 -0.71 -2.49 119.26 119.06 3kmf h ALA 469 Ca 0.14 -0.49 -0.05 0.00 0.00 0.00 0.00 54.91 54.51 3kmf h ALA 469 Cb 0.69 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3kmf h ALA 469 CO 0.05 0.68 -0.13 0.28 0.00 0.00 0.00 179.25 180.13 3kmf h VAL 470 N 0.56 1.18 -0.04 0.00 2.07 -0.52 0.15 116.25 119.64 3kmf h VAL 470 Ca 0.02 -0.78 -0.03 0.00 0.82 0.00 0.00 66.70 66.73 3kmf h VAL 470 Cb 1.06 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 32.04 3kmf h VAL 470 CO 0.10 0.24 -0.10 0.00 0.02 0.00 0.00 177.57 177.84 3kmf h ALA 471 N 1.64 0.07 -1.05 1.67 0.00 -1.31 -3.25 119.26 117.03 3kmf h ALA 471 Ca 0.05 -0.34 -0.75 0.00 0.00 0.00 0.00 54.91 53.87 3kmf h ALA 471 Cb 0.37 -0.01 -0.29 0.00 0.00 0.00 0.00 17.79 17.87 3kmf h ALA 471 CO 0.02 -0.06 0.89 0.72 0.00 0.00 0.00 179.25 180.82 3kmf n HIS 472 N -4.67 3.03 0.29 0.00 8.25 -0.95 -4.69 115.22 116.48 3kmf n HIS 472 Ca -0.08 -2.42 0.17 0.00 -0.26 0.00 0.00 57.72 55.12 3kmf n HIS 472 Cb 0.36 -1.10 0.85 0.00 1.12 0.00 0.00 29.99 31.22 3kmf n HIS 472 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 3kmf h VAL 473 N 2.01 0.25 0.06 1.59 3.04 -1.01 -2.57 116.25 119.62 3kmf h VAL 473 Ca 0.55 -0.39 -0.25 0.00 -1.01 0.00 0.00 66.70 65.59 3kmf h VAL 473 Cb 0.14 1.30 0.01 0.00 -2.01 0.00 0.00 31.29 30.73 3kmf h VAL 473 CO 1.39 0.05 -1.09 0.44 -1.01 0.00 0.00 177.57 177.36 3kmf h ASP 474 N 0.00 0.55 -2.52 3.17 3.32 -1.85 -3.39 116.42 115.71 3kmf h ASP 474 Ca -0.00 -0.50 -0.60 0.00 0.02 0.00 0.00 57.03 55.95 3kmf h ASP 474 Cb 0.30 -0.17 -0.40 0.00 0.22 0.00 0.00 39.33 39.27 3kmf h ASP 474 CO 0.01 1.33 -0.78 -0.67 -1.72 0.00 0.00 179.24 177.41 3kmf n ASP 475 N -3.69 1.75 -0.05 6.45 2.03 -0.99 -4.95 116.55 117.11 3kmf n ASP 475 Ca -0.08 -2.95 -0.15 0.00 0.52 0.00 0.00 54.79 52.13 3kmf n ASP 475 Cb 0.92 -0.66 -0.13 0.00 -0.72 0.00 0.00 41.12 40.53 3kmf n ASP 475 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 3kmf h MET 476 N 4.97 0.04 -1.48 -0.67 2.86 -1.73 -3.25 114.93 115.67 3kmf h MET 476 Ca 0.18 -0.06 0.49 0.00 -2.06 0.00 0.00 59.70 58.24 3kmf h MET 476 Cb 0.80 0.02 -0.13 0.00 0.06 0.00 0.00 31.60 32.35 3kmf h MET 476 CO 0.61 0.97 0.98 -1.35 1.06 0.00 0.00 176.91 179.17 3kmf h PRO 477 N -0.85 0.02 0.13 -0.22 0.11 -1.92 0.56 132.00 129.83 3kmf h PRO 477 Ca -0.02 -0.00 -0.36 0.00 0.11 0.00 0.00 66.00 65.73 3kmf h PRO 477 Cb 1.01 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 3kmf h PRO 477 CO 0.02 0.01 -1.94 -0.97 -0.21 0.00 0.00 178.00 174.91 3kmf h ASN 478 N 0.02 0.45 0.07 -2.05 -1.24 -1.98 -2.61 115.58 108.24 3kmf h ASN 478 Ca 0.88 -0.93 -0.05 0.00 0.71 0.00 0.00 56.30 56.92 3kmf h ASN 478 Cb 2.97 -0.15 -0.01 0.00 0.73 0.00 0.00 38.32 41.86 3kmf h ASN 478 CO -0.37 1.82 -0.15 0.00 -1.29 0.00 0.00 177.43 177.44 3kmf h ALA 479 N 0.11 1.53 -0.48 1.57 0.00 -1.15 -2.52 119.26 118.32 3kmf h ALA 479 Ca -0.40 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.30 3kmf h ALA 479 Cb 2.05 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.76 3kmf h ALA 479 CO 0.11 0.34 0.00 1.28 0.00 0.00 0.00 179.25 180.98 3kmf n LEU 480 N -4.27 4.40 -0.15 0.00 4.77 0.03 -4.67 117.00 117.11 3kmf n LEU 480 Ca -0.01 -2.63 -0.07 0.00 -0.03 0.00 0.00 56.01 53.27 3kmf n LEU 480 Cb 0.27 -0.53 0.02 0.00 -2.33 0.00 0.00 43.42 40.84 3kmf n LEU 480 CO 0.38 0.73 1.06 -1.28 -1.33 0.00 0.00 177.39 176.95 3kmf h SER 481 N 3.09 0.51 -0.30 -1.43 0.87 -1.04 -1.42 113.55 113.83 3kmf h SER 481 Ca 0.00 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.53 3kmf h SER 481 Cb 1.43 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 63.25 3kmf h SER 481 CO 0.24 0.37 0.13 0.00 -0.53 0.00 0.00 176.83 177.03 3kmf h ALA 482 N 1.18 1.56 -0.12 6.23 0.00 -1.83 -2.34 119.26 123.93 3kmf h ALA 482 Ca 0.17 -0.11 -0.20 0.00 0.00 0.00 0.00 54.91 54.77 3kmf h ALA 482 Cb -0.05 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.60 3kmf h ALA 482 CO -0.05 0.34 -0.71 -0.07 0.00 0.00 0.00 179.25 178.76 3kmf h LEU 483 N 0.51 0.84 -0.65 0.00 3.38 -1.81 -2.93 115.31 114.64 3kmf h LEU 483 Ca 0.12 -0.64 0.08 0.00 0.09 0.00 0.00 57.88 57.53 3kmf h LEU 483 Cb 0.13 -0.25 -0.07 0.00 0.09 0.00 0.00 40.66 40.56 3kmf h LEU 483 CO -0.01 1.35 0.31 0.28 0.09 0.00 0.00 178.44 180.46 3kmf h SER 484 N 0.39 0.39 -0.57 -0.43 0.02 -0.92 -1.67 113.55 110.77 3kmf h SER 484 Ca -0.05 0.06 -0.08 0.00 -0.84 0.00 0.00 61.79 60.87 3kmf h SER 484 Cb 1.35 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 63.87 3kmf h SER 484 CO 0.15 0.24 0.02 0.44 -1.14 0.00 0.00 176.83 176.54 3kmf h ASP 485 N 0.54 0.96 -0.60 3.07 3.32 -1.46 -2.16 116.42 120.10 3kmf h ASP 485 Ca 0.32 -0.30 -0.02 0.00 0.02 0.00 0.00 57.03 57.05 3kmf h ASP 485 Cb 0.32 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.58 3kmf h ASP 485 CO -0.26 1.02 0.30 0.25 -1.72 0.00 0.00 179.24 178.83 3kmf h LEU 486 N 0.87 0.80 0.00 1.55 5.85 -1.18 -1.32 115.31 121.89 3kmf h LEU 486 Ca 0.16 -0.08 -0.13 0.00 0.84 0.00 0.00 57.88 58.67 3kmf h LEU 486 Cb 0.51 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 3kmf h LEU 486 CO 0.02 0.69 -0.94 0.45 -0.34 0.00 0.00 178.44 178.32 3kmf h HIS 487 N 0.89 0.00 0.20 1.25 3.86 -1.27 -1.26 115.15 118.82 3kmf h HIS 487 Ca 0.22 0.00 -0.32 0.00 -1.16 0.00 0.00 60.37 59.11 3kmf h HIS 487 Cb 0.10 0.00 0.02 0.00 1.06 0.00 0.00 27.41 28.59 3kmf h HIS 487 CO 0.01 0.52 -1.44 0.00 0.86 0.00 0.00 177.93 177.88 3kmf h ALA 488 N 1.48 -0.03 -0.00 2.45 0.00 -1.17 0.74 119.26 122.72 3kmf h ALA 488 Ca -0.07 -0.91 0.00 0.00 0.00 0.00 0.00 54.91 53.93 3kmf h ALA 488 Cb 1.46 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.41 3kmf h ALA 488 CO 0.06 0.83 -0.13 0.72 0.00 0.00 0.00 179.25 180.73 3kmf n HIS 489 N -3.63 0.00 0.04 0.00 8.25 -0.52 -4.65 115.22 114.70 3kmf n HIS 489 Ca -0.15 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.31 3kmf n HIS 489 Cb 1.08 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.19 3kmf n HIS 489 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 3kmf n LYS 490 N -0.76 0.00 -0.01 -0.41 3.00 -1.06 -4.88 118.16 114.04 3kmf n LYS 490 Ca 0.01 0.00 -0.17 0.00 -0.00 0.00 0.00 58.31 58.16 3kmf n LYS 490 Cb 0.07 -0.48 -0.13 0.00 0.00 0.00 0.00 35.03 34.49 3kmf n LYS 490 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 3kmf h LEU 491 N 0.00 0.23 -1.06 3.14 3.38 -1.41 -3.49 115.31 116.11 3kmf h LEU 491 Ca 0.00 -0.93 -0.38 0.00 0.09 0.00 0.00 57.88 56.65 3kmf h LEU 491 Cb 0.34 -0.07 0.14 0.00 0.09 0.00 0.00 40.66 41.16 3kmf h LEU 491 CO 0.00 1.14 -0.71 0.54 0.09 0.00 0.00 178.44 179.51 3kmf n ARG 492 N -4.40 -7.59 -2.14 1.13 1.74 0.25 -4.95 116.66 100.70 3kmf n ARG 492 Ca -0.11 0.83 -0.42 0.00 -0.77 0.00 0.00 57.85 57.37 3kmf n ARG 492 Cb 0.62 -5.87 -0.03 0.00 -1.02 0.00 0.00 32.46 26.16 3kmf n ARG 492 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3kmf s VAL 493 N -3.33 3.29 0.28 1.55 1.01 -1.25 -4.95 120.40 117.01 3kmf s VAL 493 Ca 0.44 0.89 -0.30 0.00 0.00 0.00 0.00 61.98 63.01 3kmf s VAL 493 Cb -0.19 -3.57 -0.12 0.00 0.00 0.00 0.00 36.38 32.49 3kmf s VAL 493 CO 0.73 0.05 1.57 -0.67 0.00 0.00 0.00 175.10 176.78 3kmf n ASP 494 N 4.27 3.68 -0.34 3.32 2.03 -1.26 -4.85 116.55 123.40 3kmf n ASP 494 Ca 0.12 1.15 0.28 0.00 0.52 0.00 0.00 54.79 56.86 3kmf n ASP 494 Cb 0.42 -1.57 0.60 0.00 -0.72 0.00 0.00 41.12 39.85 3kmf n ASP 494 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3kmf h PRO 495 N 4.71 0.23 -0.53 -0.67 0.11 -2.00 -2.78 132.00 131.08 3kmf h PRO 495 Ca -0.47 -0.01 0.11 0.00 0.11 0.00 0.00 66.00 65.74 3kmf h PRO 495 Cb 1.23 -0.05 -0.09 0.00 0.11 0.00 0.00 31.00 32.19 3kmf h PRO 495 CO 0.79 0.16 -0.06 -0.24 -0.21 0.00 0.00 178.00 178.43 3kmf h VAL 496 N 0.24 0.52 0.00 3.15 3.04 -2.02 -2.48 116.25 118.70 3kmf h VAL 496 Ca 0.61 -0.02 0.00 0.00 -1.01 0.00 0.00 66.70 66.28 3kmf h VAL 496 Cb 1.86 0.46 0.00 0.00 -2.01 0.00 0.00 31.29 31.60 3kmf h VAL 496 CO -0.23 0.01 0.20 0.78 -1.01 0.00 0.00 177.57 177.32 3kmf h ASN 497 N 0.06 0.00 0.11 3.17 2.35 -1.87 -1.24 115.58 118.16 3kmf h ASN 497 Ca 0.27 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.94 3kmf h ASN 497 Cb 0.41 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.77 3kmf h ASN 497 CO -0.50 0.00 -0.25 -0.26 -1.65 0.00 0.00 177.43 174.77 3kmf h PHE 498 N 0.00 0.27 -0.38 1.19 0.04 -1.64 -2.54 116.94 113.87 3kmf h PHE 498 Ca 0.00 -0.05 -0.14 0.00 2.80 0.00 0.00 57.97 60.58 3kmf h PHE 498 Cb 0.39 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.47 3kmf h PHE 498 CO 0.00 0.48 -0.31 0.87 -0.60 0.00 0.00 178.31 178.75 3kmf h LYS 499 N 0.22 0.85 -0.37 1.51 1.57 -1.40 -2.48 116.57 116.48 3kmf h LYS 499 Ca 0.04 -0.40 -0.08 0.00 -1.87 0.00 0.00 60.65 58.33 3kmf h LYS 499 Cb 0.57 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.85 3kmf h LYS 499 CO 0.04 1.04 -0.11 -0.07 -0.57 0.00 0.00 179.45 179.78 3kmf h LEU 500 N 0.72 0.64 0.01 2.94 3.38 -1.57 -1.84 115.31 119.58 3kmf h LEU 500 Ca 0.08 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 3kmf h LEU 500 Cb 0.87 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.45 3kmf h LEU 500 CO 0.08 0.78 -0.00 0.25 0.09 0.00 0.00 178.44 179.64 3kmf h LEU 501 N 0.60 -0.01 -0.29 1.67 5.85 -1.44 -1.47 115.31 120.21 3kmf h LEU 501 Ca 0.11 -0.59 0.06 0.00 0.84 0.00 0.00 57.88 58.30 3kmf h LEU 501 Cb 0.54 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.50 3kmf h LEU 501 CO 0.03 0.59 -0.42 0.28 -0.34 0.00 0.00 178.44 178.58 3kmf h SER 502 N -0.61 -1.37 -0.39 1.25 0.02 -1.41 0.45 113.55 111.48 3kmf h SER 502 Ca -0.00 0.20 0.08 0.00 -0.84 0.00 0.00 61.79 61.23 3kmf h SER 502 Cb 0.60 0.58 -0.08 0.00 0.14 0.00 0.00 62.40 63.64 3kmf h SER 502 CO 0.00 -0.39 -0.14 -0.74 -1.14 0.00 0.00 176.83 174.42 3kmf h HIS 503 N -0.40 -0.34 0.00 3.45 -0.00 -1.38 0.42 115.15 116.91 3kmf h HIS 503 Ca 0.11 0.04 -0.00 0.00 -0.00 0.00 0.00 60.37 60.52 3kmf h HIS 503 Cb 0.60 0.21 -0.00 0.00 -0.00 0.00 0.00 27.41 28.22 3kmf h HIS 503 CO -0.56 -0.22 -0.01 0.00 -0.00 0.00 0.00 177.93 177.14 3kmf h LEU 505 N 0.00 -0.12 -0.93 0.00 5.85 0.19 -3.04 115.31 117.26 3kmf h LEU 505 Ca -0.00 -0.08 0.25 0.00 0.84 0.00 0.00 57.88 58.88 3kmf h LEU 505 Cb 0.28 0.03 -0.13 0.00 0.37 0.00 0.00 40.66 41.21 3kmf h LEU 505 CO 0.00 0.41 0.42 -0.07 -0.34 0.00 0.00 178.44 178.85 3kmf h LEU 506 N -1.03 0.33 -0.75 2.25 3.38 -1.04 0.31 115.31 118.76 3kmf h LEU 506 Ca -0.01 0.17 0.04 0.00 0.09 0.00 0.00 57.88 58.16 3kmf h LEU 506 Cb 0.19 0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.05 3kmf h LEU 506 CO 0.02 -0.05 0.47 0.58 0.09 0.00 0.00 178.44 179.55 3kmf h VAL 507 N 0.36 1.08 0.00 1.22 2.07 -1.52 -1.16 116.25 118.30 3kmf h VAL 507 Ca 0.61 -0.31 -0.04 0.00 0.82 0.00 0.00 66.70 67.78 3kmf h VAL 507 Cb 1.23 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 3kmf h VAL 507 CO -0.57 0.17 -0.19 0.74 0.02 0.00 0.00 177.57 177.73 3kmf h THR 508 N 0.90 0.59 0.00 2.57 2.02 -0.31 -2.50 112.91 116.19 3kmf h THR 508 Ca 0.31 -0.89 -0.08 0.00 0.77 0.00 0.00 66.41 66.52 3kmf h THR 508 Cb 0.05 1.59 -0.01 0.00 -1.74 0.00 0.00 68.15 68.04 3kmf h THR 508 CO -0.13 0.19 -0.64 -0.07 0.37 0.00 0.00 175.52 175.24 3kmf h LEU 509 N 0.00 0.00 0.17 2.58 3.38 -0.21 -3.28 115.31 117.94 3kmf h LEU 509 Ca -0.00 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.71 3kmf h LEU 509 Cb 0.57 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.34 3kmf h LEU 509 CO 0.03 0.33 -1.18 0.00 0.09 0.00 0.00 178.44 177.70 3kmf h ALA 510 N 1.67 -0.04 0.00 1.53 0.00 -1.07 0.43 119.26 121.79 3kmf h ALA 510 Ca -0.03 -0.85 0.00 0.00 0.00 0.00 0.00 54.91 54.02 3kmf h ALA 510 Cb 1.28 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.30 3kmf h ALA 510 CO 0.04 0.60 0.00 0.00 0.00 0.00 0.00 179.25 179.89 3kmf n ALA 511 N -2.76 2.29 0.00 0.00 0.00 -0.97 -3.48 120.51 115.59 3kmf n ALA 511 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 3kmf n ALA 511 Cb 0.93 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.38 3kmf n ALA 511 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3kmf n HIS 512 N -0.22 0.00 -3.45 0.00 -0.00 -1.23 -4.96 115.22 105.36 3kmf n HIS 512 Ca 0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.45 3kmf n HIS 512 Cb 0.10 0.00 -0.08 0.00 -0.00 0.00 0.00 29.99 30.01 3kmf n HIS 512 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 3kmf n LEU 513 N -1.11 3.03 0.10 2.41 4.77 0.14 -4.94 117.00 121.39 3kmf n LEU 513 Ca 0.00 -5.28 -0.05 0.00 -0.03 0.00 0.00 56.01 50.65 3kmf n LEU 513 Cb 0.02 -0.45 0.08 0.00 -2.33 0.00 0.00 43.42 40.74 3kmf n LEU 513 CO 0.00 2.02 0.40 1.55 -1.33 0.00 0.00 177.39 180.02 3kmf h PRO 514 N 4.34 0.15 -0.01 3.23 0.13 -1.77 -2.88 132.00 135.20 3kmf h PRO 514 Ca 0.18 -0.13 -0.15 0.00 -0.87 0.00 0.00 66.00 65.02 3kmf h PRO 514 Cb 0.71 0.03 -0.02 0.00 0.13 0.00 0.00 31.00 31.85 3kmf h PRO 514 CO 0.76 0.80 -0.71 0.00 -0.23 0.00 0.00 178.00 178.62 3kmf h ALA 515 N 1.16 0.81 -0.02 -0.56 0.00 -1.92 -3.19 119.26 115.54 3kmf h ALA 515 Ca -0.02 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.26 3kmf h ALA 515 Cb 1.26 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3kmf h ALA 515 CO 0.10 0.86 -0.28 -0.85 0.00 0.00 0.00 179.25 179.08 3kmf n GLU 516 N -3.72 1.41 -1.97 0.00 0.00 -1.24 -4.58 120.64 110.52 3kmf n GLU 516 Ca -0.01 -1.08 -0.38 0.00 0.00 0.00 0.00 57.16 55.68 3kmf n GLU 516 Cb 0.69 -1.48 -0.01 0.00 0.00 0.00 0.00 31.44 30.64 3kmf n GLU 516 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 3kmf n PHE 517 N 0.14 2.48 -1.55 -1.84 7.35 -1.09 -4.80 117.46 118.16 3kmf n PHE 517 Ca 0.12 -2.69 -0.31 0.00 -0.76 0.00 0.00 57.45 53.82 3kmf n PHE 517 Cb 0.46 -1.72 0.07 0.00 0.35 0.00 0.00 39.48 38.63 3kmf n PHE 517 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3kmf s THR 518 N -1.57 3.57 -0.09 -2.13 -4.23 -1.26 -4.76 115.64 105.16 3kmf s THR 518 Ca 0.54 0.51 0.27 0.00 -1.18 0.00 0.00 61.69 61.82 3kmf s THR 518 Cb 0.21 -3.24 0.27 0.00 1.34 0.00 0.00 72.50 71.08 3kmf s THR 518 CO -0.12 -0.67 1.81 -0.65 -0.54 0.00 0.00 174.62 174.46 3kmf h PRO 519 N -0.90 0.00 0.03 3.99 0.11 -1.98 0.16 132.00 133.41 3kmf h PRO 519 Ca -0.45 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.66 3kmf h PRO 519 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3kmf h PRO 519 CO 0.58 0.00 -0.02 0.00 -0.21 0.00 0.00 178.00 178.35 3kmf h ALA 520 N 2.06 -0.04 -0.49 -0.75 0.00 -1.97 -3.16 119.26 114.90 3kmf h ALA 520 Ca 0.00 -0.06 0.09 0.00 0.00 0.00 0.00 54.91 54.94 3kmf h ALA 520 Cb 0.11 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.85 3kmf h ALA 520 CO 0.00 -0.04 0.08 0.28 0.00 0.00 0.00 179.25 179.57 3kmf h VAL 521 N -1.01 0.70 -1.06 0.00 2.07 -1.80 -0.87 116.25 114.28 3kmf h VAL 521 Ca -0.00 -0.07 0.31 0.00 0.82 0.00 0.00 66.70 67.75 3kmf h VAL 521 Cb 0.13 0.47 -0.13 0.00 -1.52 0.00 0.00 31.29 30.25 3kmf h VAL 521 CO 0.01 0.04 0.64 -0.74 0.02 0.00 0.00 177.57 177.54 3kmf h HIS 522 N 0.21 0.82 0.00 1.57 6.17 -0.80 0.32 115.15 123.44 3kmf h HIS 522 Ca 0.25 0.03 -0.17 0.00 0.71 0.00 0.00 60.37 61.19 3kmf h HIS 522 Cb 0.34 -0.22 -0.02 0.00 2.52 0.00 0.00 27.41 30.02 3kmf h HIS 522 CO -0.24 -0.07 -0.84 0.00 0.71 0.00 0.00 177.93 177.49 3kmf h ALA 523 N 1.73 0.53 -0.10 5.26 0.00 -1.13 -3.05 119.26 122.50 3kmf h ALA 523 Ca 0.69 -0.73 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 3kmf h ALA 523 Cb 1.67 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.39 3kmf h ALA 523 CO -0.47 0.98 -0.12 0.77 0.00 0.00 0.00 179.25 180.40 3kmf h SER 524 N 0.00 0.29 0.78 0.00 0.02 0.07 -3.03 113.55 111.67 3kmf h SER 524 Ca -0.03 -0.50 -0.04 0.00 -0.84 0.00 0.00 61.79 60.38 3kmf h SER 524 Cb 1.60 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 64.07 3kmf h SER 524 CO 0.09 0.73 -0.41 -0.07 -1.14 0.00 0.00 176.83 176.04 3kmf h LEU 525 N -0.15 -0.99 -0.92 5.07 3.38 -1.25 0.36 115.31 120.80 3kmf h LEU 525 Ca 0.01 0.04 0.26 0.00 0.09 0.00 0.00 57.88 58.29 3kmf h LEU 525 Cb 0.66 0.27 -0.15 0.00 0.09 0.00 0.00 40.66 41.53 3kmf h LEU 525 CO 0.03 -0.67 0.26 -0.78 0.09 0.00 0.00 178.44 177.37 3kmf h ASP 526 N -1.09 0.01 -0.10 -0.43 3.58 -1.63 1.14 116.42 117.89 3kmf h ASP 526 Ca -0.10 0.21 -0.01 0.00 0.42 0.00 0.00 57.03 57.55 3kmf h ASP 526 Cb 0.85 0.28 -0.00 0.00 1.72 0.00 0.00 39.33 42.18 3kmf h ASP 526 CO 0.15 -0.20 0.04 0.11 -2.88 0.00 0.00 179.24 176.46 3kmf h LYS 527 N 0.18 0.16 -0.06 0.28 1.57 -1.36 -0.47 116.57 116.87 3kmf h LYS 527 Ca 0.60 -0.03 0.04 0.00 -1.87 0.00 0.00 60.65 59.38 3kmf h LYS 527 Cb 1.27 -0.02 -0.06 0.00 0.08 0.00 0.00 32.23 33.50 3kmf h LYS 527 CO -0.70 0.29 -0.41 0.35 -0.57 0.00 0.00 179.45 178.41 3kmf h PHE 528 N -0.00 -1.17 -0.61 -1.35 3.57 0.33 0.38 116.94 118.09 3kmf h PHE 528 Ca 0.03 0.04 0.09 0.00 3.53 0.00 0.00 57.97 61.67 3kmf h PHE 528 Cb 0.19 0.52 -0.04 0.00 2.79 0.00 0.00 35.95 39.41 3kmf h PHE 528 CO -0.01 -0.48 0.41 -0.07 -2.23 0.00 0.00 178.31 175.93 3kmf h LEU 529 N -0.53 0.42 -0.17 0.59 3.38 0.07 0.03 115.31 119.09 3kmf h LEU 529 Ca 0.06 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 3kmf h LEU 529 Cb 0.63 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 3kmf h LEU 529 CO -0.35 0.26 0.01 0.00 0.09 0.00 0.00 178.44 178.45 3kmf h ALA 530 N 1.69 0.23 -0.19 1.53 0.00 0.65 -2.38 119.26 120.79 3kmf h ALA 530 Ca 0.28 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 55.04 3kmf h ALA 530 Cb 0.48 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3kmf h ALA 530 CO -0.08 -0.08 0.13 1.03 0.00 0.00 0.00 179.25 180.25 3kmf h SER 531 N 0.06 0.08 0.94 0.00 0.87 0.16 -1.06 113.55 114.59 3kmf h SER 531 Ca 0.05 -0.00 -0.22 0.00 -1.23 0.00 0.00 61.79 60.39 3kmf h SER 531 Cb 0.35 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.26 3kmf h SER 531 CO 0.01 0.06 -1.04 0.58 -0.53 0.00 0.00 176.83 175.91 3kmf h VAL 532 N 0.09 1.68 0.00 2.23 2.07 -1.16 -3.05 116.25 118.12 3kmf h VAL 532 Ca 0.08 -3.37 -0.06 0.00 0.82 0.00 0.00 66.70 64.18 3kmf h VAL 532 Cb 0.22 2.86 -0.01 0.00 -1.52 0.00 0.00 31.29 32.84 3kmf h VAL 532 CO -0.01 0.96 -0.29 0.28 0.02 0.00 0.00 177.57 178.54 3kmf h SER 533 N 0.01 0.00 0.99 0.57 0.02 -0.74 -1.51 113.55 112.90 3kmf h SER 533 Ca -0.03 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.75 3kmf h SER 533 Cb 1.80 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 64.31 3kmf h SER 533 CO 0.14 0.29 -0.82 0.74 -1.14 0.00 0.00 176.83 176.04 3kmf h THR 534 N 0.00 1.50 0.00 -2.27 2.02 -1.18 -3.24 112.91 109.74 3kmf h THR 534 Ca -0.00 -2.90 0.00 0.00 0.77 0.00 0.00 66.41 64.27 3kmf h THR 534 Cb 0.85 2.60 0.00 0.00 -1.74 0.00 0.00 68.15 69.87 3kmf h THR 534 CO 0.04 0.81 -0.03 0.58 0.37 0.00 0.00 175.52 177.29 3kmf h VAL 535 N 0.00 0.00 0.00 3.16 2.07 -1.41 -2.92 116.25 117.15 3kmf h VAL 535 Ca -0.01 -0.75 0.00 0.00 0.82 0.00 0.00 66.70 66.76 3kmf h VAL 535 Cb 1.54 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 3kmf h VAL 535 CO 0.11 0.00 0.54 -0.07 0.02 0.00 0.00 177.57 178.17 3kmf h LEU 536 N -0.75 0.00 -0.66 2.57 3.38 -1.43 0.14 115.31 118.57 3kmf h LEU 536 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kmf h LEU 536 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3kmf h LEU 536 CO 0.00 0.00 -0.00 0.35 0.09 0.00 0.00 178.44 178.88 3kmf n THR 537 N -2.03 0.00 -0.33 0.22 -2.24 -1.22 -4.62 114.28 104.06 3kmf n THR 537 Ca -0.01 -0.50 0.28 0.00 -2.27 0.00 0.00 64.05 61.56 3kmf n THR 537 Cb 0.56 1.00 0.61 0.00 -2.10 0.00 0.00 70.33 70.39 3kmf n THR 537 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3kmf h SER 538 N 0.01 0.27 -0.79 3.42 4.64 -0.50 -2.11 113.55 118.48 3kmf h SER 538 Ca 0.00 0.06 -0.33 0.00 -0.47 0.00 0.00 61.79 61.05 3kmf h SER 538 Cb 0.00 0.01 -0.20 0.00 -0.31 0.00 0.00 62.40 61.91 3kmf h SER 538 CO 0.00 0.04 0.38 0.29 -0.87 0.00 0.00 176.83 176.67 3kmf n LYS 539 N -4.47 2.92 0.25 4.77 5.02 -1.26 -4.58 118.16 120.81 3kmf n LYS 539 Ca 0.26 -3.06 0.16 0.00 -2.02 0.00 0.00 58.31 53.64 3kmf n LYS 539 Cb 1.04 -2.15 0.59 0.00 -0.02 0.00 0.00 35.03 34.49 3kmf n LYS 539 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 3kmf h TYR 540 N 1.80 0.00 0.00 2.13 0.99 -1.70 -3.46 116.97 116.73 3kmf h TYR 540 Ca 0.40 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.13 3kmf h TYR 540 Cb 2.46 0.00 0.00 0.00 1.00 0.00 0.00 36.73 40.19 3kmf h TYR 540 CO 1.36 0.00 0.00 2.89 -0.00 0.00 0.00 178.16 182.41