#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b86 s LEU 402 N 0.00 4.40 0.65 6.55 1.43 -1.26 -5.02 118.68 125.43 1b86 s LEU 402 Ca 0.00 1.83 -0.01 0.00 -1.03 0.00 0.00 54.13 54.92 1b86 s LEU 402 Cb 0.00 -3.58 0.08 0.00 0.03 0.00 0.00 46.19 42.72 1b86 s LEU 402 CO 0.00 -0.29 0.91 -0.94 0.23 0.00 0.00 176.35 176.25 1b86 s SER 403 N 0.78 4.81 0.41 2.29 1.04 -1.26 -4.86 113.70 116.90 1b86 s SER 403 Ca 0.53 -0.06 0.11 0.00 0.48 0.00 0.00 55.95 57.01 1b86 s SER 403 Cb -0.25 -0.58 0.87 0.00 0.10 0.00 0.00 66.02 66.16 1b86 s SER 403 CO 0.29 -1.52 1.96 -0.65 0.98 0.00 0.00 173.24 174.30 1b86 h PRO 404 N -0.30 0.19 -0.32 4.02 0.11 -1.99 -0.51 132.00 133.19 1b86 h PRO 404 Ca -0.40 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.61 1b86 h PRO 404 Cb 1.29 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 1b86 h PRO 404 CO 0.49 0.31 -0.04 0.00 -0.21 0.00 0.00 178.00 178.54 1b86 h ALA 405 N 1.72 0.44 0.01 -0.75 0.00 -1.99 -2.63 119.26 116.06 1b86 h ALA 405 Ca 0.04 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1b86 h ALA 405 Cb 0.31 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1b86 h ALA 405 CO 0.02 0.24 -0.03 -0.44 0.00 0.00 0.00 179.25 179.04 1b86 h ASP 406 N 0.39 -0.08 -0.85 0.00 3.32 -1.82 0.14 116.42 117.52 1b86 h ASP 406 Ca 0.09 0.01 0.23 0.00 0.02 0.00 0.00 57.03 57.37 1b86 h ASP 406 Cb 0.52 0.03 -0.04 0.00 0.22 0.00 0.00 39.33 40.05 1b86 h ASP 406 CO 0.03 -0.03 0.59 0.11 -1.72 0.00 0.00 179.24 178.22 1b86 h LYS 407 N -0.04 0.13 -0.03 3.56 1.57 -1.16 0.16 116.57 120.77 1b86 h LYS 407 Ca -0.00 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1b86 h LYS 407 Cb 0.04 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.32 1b86 h LYS 407 CO -0.01 0.09 -0.03 1.15 -0.57 0.00 0.00 179.45 180.08 1b86 h THR 408 N 0.14 1.36 -0.73 -0.16 2.02 -1.26 0.23 112.91 114.51 1b86 h THR 408 Ca 0.42 -1.12 0.01 0.00 0.77 0.00 0.00 66.41 66.49 1b86 h THR 408 Cb 1.44 2.04 -0.04 0.00 -1.74 0.00 0.00 68.15 69.85 1b86 h THR 408 CO -0.07 0.30 0.48 0.78 0.37 0.00 0.00 175.52 177.38 1b86 h ASN 409 N -0.36 0.83 -0.21 4.18 2.35 0.55 -0.22 115.58 122.70 1b86 h ASN 409 Ca 0.01 -0.02 -0.14 0.00 -0.55 0.00 0.00 56.30 55.60 1b86 h ASN 409 Cb 0.50 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.67 1b86 h ASN 409 CO 0.01 0.59 -0.42 -0.37 -1.65 0.00 0.00 177.43 175.60 1b86 h VAL 410 N 0.98 1.32 -0.68 2.81 -1.51 -0.63 -2.09 116.25 116.46 1b86 h VAL 410 Ca 0.27 -1.64 0.13 0.00 -1.23 0.00 0.00 66.70 64.23 1b86 h VAL 410 Cb -0.10 1.84 -0.09 0.00 -2.13 0.00 0.00 31.29 30.81 1b86 h VAL 410 CO -0.07 0.51 0.19 0.11 -1.23 0.00 0.00 177.57 177.08 1b86 h LYS 411 N 0.34 0.30 0.62 5.19 1.57 -0.35 -2.50 116.57 121.75 1b86 h LYS 411 Ca 0.01 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1b86 h LYS 411 Cb 1.02 -0.07 0.01 0.00 0.08 0.00 0.00 32.23 33.26 1b86 h LYS 411 CO 0.09 0.20 -0.30 0.00 -0.57 0.00 0.00 179.45 178.88 1b86 h ALA 412 N 1.53 -1.11 -0.73 3.86 0.00 -0.79 -0.42 119.26 121.59 1b86 h ALA 412 Ca 0.37 -0.18 0.16 0.00 0.00 0.00 0.00 54.91 55.26 1b86 h ALA 412 Cb 0.56 0.32 -0.12 0.00 0.00 0.00 0.00 17.79 18.56 1b86 h ALA 412 CO -0.43 -1.05 0.09 0.00 0.00 0.00 0.00 179.25 177.86 1b86 h ALA 413 N -1.54 0.86 -0.05 0.00 0.00 -1.35 -1.53 119.26 115.64 1b86 h ALA 413 Ca -0.08 0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1b86 h ALA 413 Cb 0.63 0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 1b86 h ALA 413 CO 0.14 -0.39 0.03 2.35 0.00 0.00 0.00 179.25 181.38 1b86 h TRP 414 N 0.18 0.08 -0.65 0.00 2.91 -1.50 -2.21 115.95 114.75 1b86 h TRP 414 Ca 0.41 -0.00 0.13 0.00 1.13 0.00 0.00 58.89 60.56 1b86 h TRP 414 Cb 0.72 -0.02 -0.12 0.00 -0.51 0.00 0.00 29.16 29.22 1b86 h TRP 414 CO -0.33 0.13 -0.13 0.78 -1.03 0.00 0.00 178.44 177.86 1b86 h GLY 415 N 0.00 0.53 2.00 2.65 0.00 -0.02 0.11 103.07 108.34 1b86 h GLY 415 Ca 0.02 0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.54 1b86 h GLY 415 CO -0.00 -0.25 0.00 0.28 0.00 0.00 0.00 176.54 176.57 1b86 n LYS 416 N -5.41 0.10 0.02 4.80 4.76 -0.86 -1.86 118.16 119.71 1b86 n LYS 416 Ca 0.09 0.48 -0.14 0.00 -2.87 0.00 0.00 58.31 55.87 1b86 n LYS 416 Cb 0.35 -1.76 -0.03 0.00 -1.84 0.00 0.00 35.03 31.75 1b86 n LYS 416 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1b86 h VAL 417 N 0.00 1.34 0.00 -0.18 2.07 -0.41 -3.46 116.25 115.61 1b86 h VAL 417 Ca 0.00 -2.12 0.00 0.00 0.82 0.00 0.00 66.70 65.40 1b86 h VAL 417 Cb 0.15 2.12 0.00 0.00 -1.52 0.00 0.00 31.29 32.03 1b86 h VAL 417 CO 0.00 0.65 0.00 0.61 0.02 0.00 0.00 177.57 178.85 1b86 n GLY 418 N 0.69 1.33 0.19 2.17 0.00 -0.78 0.18 105.19 108.98 1b86 n GLY 418 Ca -0.06 0.62 0.14 0.00 0.00 0.00 0.00 46.02 46.71 1b86 n GLY 418 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b86 h ALA 419 N -0.33 1.00 -0.54 4.61 0.00 -1.88 -3.17 119.26 118.95 1b86 h ALA 419 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1b86 h ALA 419 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1b86 h ALA 419 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 179.25 179.97 1b86 n HIS 420 N -2.71 0.71 -0.32 0.00 8.25 0.47 -4.51 115.22 117.11 1b86 n HIS 420 Ca 0.03 -0.35 0.12 0.00 -0.26 0.00 0.00 57.72 57.26 1b86 n HIS 420 Cb 0.35 0.00 0.30 0.00 1.12 0.00 0.00 29.99 31.77 1b86 n HIS 420 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1b86 h ALA 421 N 4.39 1.52 0.02 -1.41 0.00 -1.60 0.24 119.26 122.42 1b86 h ALA 421 Ca 0.00 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1b86 h ALA 421 Cb 0.94 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1b86 h ALA 421 CO 0.00 -0.19 -0.01 0.78 0.00 0.00 0.00 179.25 179.83 1b86 h GLY 422 N 0.58 -0.03 -0.11 0.00 0.00 -1.85 0.59 103.07 102.26 1b86 h GLY 422 Ca 0.56 0.01 0.07 0.00 0.00 0.00 0.00 47.33 47.97 1b86 h GLY 422 CO -0.44 -0.01 -0.33 0.83 0.00 0.00 0.00 176.54 176.59 1b86 h GLU 423 N -0.18 -0.27 -0.46 4.80 3.07 -1.18 -0.30 114.58 120.06 1b86 h GLU 423 Ca -0.00 0.02 -0.09 0.00 -0.50 0.00 0.00 59.36 58.78 1b86 h GLU 423 Cb 0.17 0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.13 1b86 h GLU 423 CO 0.00 -0.18 -0.10 1.88 -1.40 0.00 0.00 179.01 179.22 1b86 h TYR 424 N -0.28 0.90 -0.19 4.33 0.05 -0.32 -2.37 116.97 119.09 1b86 h TYR 424 Ca 0.16 -0.16 0.04 0.00 0.05 0.00 0.00 58.73 58.81 1b86 h TYR 424 Cb 0.54 -0.23 -0.04 0.00 1.01 0.00 0.00 36.73 38.01 1b86 h TYR 424 CO -0.52 0.87 -0.04 0.78 -1.05 0.00 0.00 178.16 178.21 1b86 h GLY 425 N 0.97 0.14 1.19 3.88 0.00 0.14 -1.73 103.07 107.67 1b86 h GLY 425 Ca 0.13 0.06 -0.01 0.00 0.00 0.00 0.00 47.33 47.50 1b86 h GLY 425 CO 0.04 -0.07 0.42 0.00 0.00 0.00 0.00 176.54 176.94 1b86 h ALA 426 N 1.19 1.30 0.00 3.60 0.00 -0.89 -1.89 119.26 122.57 1b86 h ALA 426 Ca 0.09 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1b86 h ALA 426 Cb 0.13 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1b86 h ALA 426 CO -0.19 0.57 -0.24 1.49 0.00 0.00 0.00 179.25 180.89 1b86 h GLU 427 N 1.07 0.00 -0.30 0.00 4.81 -1.01 -2.23 114.58 116.92 1b86 h GLU 427 Ca 0.27 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.42 1b86 h GLU 427 Cb 0.02 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 1b86 h GLU 427 CO -0.04 0.00 -0.14 0.00 -0.73 0.00 0.00 179.01 178.09 1b86 h ALA 428 N 2.17 0.42 -0.26 2.92 0.00 -1.01 0.18 119.26 123.68 1b86 h ALA 428 Ca 0.00 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 1b86 h ALA 428 Cb 0.91 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1b86 h ALA 428 CO 0.00 0.31 0.08 -0.07 0.00 0.00 0.00 179.25 179.57 1b86 h LEU 429 N 0.38 0.38 -1.27 0.00 3.38 -1.22 -2.26 115.31 114.69 1b86 h LEU 429 Ca 0.07 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.76 1b86 h LEU 429 Cb 0.66 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1b86 h LEU 429 CO 0.04 0.49 -0.18 -0.08 0.09 0.00 0.00 178.44 178.80 1b86 h GLU 430 N 0.25 0.28 -0.23 1.13 4.81 -1.20 -2.47 114.58 117.14 1b86 h GLU 430 Ca 0.08 -0.08 -0.19 0.00 -0.13 0.00 0.00 59.36 59.04 1b86 h GLU 430 Cb 0.25 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.60 1b86 h GLU 430 CO -0.00 0.46 -0.61 0.00 -0.73 0.00 0.00 179.01 178.12 1b86 h ARG 431 N 0.26 0.82 -0.26 1.92 3.08 -0.33 -3.12 114.38 116.75 1b86 h ARG 431 Ca 0.05 -0.58 0.02 0.00 0.07 0.00 0.00 59.98 59.54 1b86 h ARG 431 Cb 0.47 0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.59 1b86 h ARG 431 CO 0.03 1.20 0.13 1.98 -1.07 0.00 0.00 179.97 182.24 1b86 h MET 432 N 0.58 0.27 -1.01 0.04 4.05 -1.12 0.25 114.93 117.99 1b86 h MET 432 Ca -0.01 -0.02 0.03 0.00 -0.28 0.00 0.00 59.70 59.42 1b86 h MET 432 Cb 1.23 -0.06 -0.06 0.00 -0.80 0.00 0.00 31.60 31.91 1b86 h MET 432 CO 0.13 0.18 0.66 0.74 0.23 0.00 0.00 176.91 178.85 1b86 h PHE 433 N 0.28 1.24 0.14 1.39 0.04 -1.53 1.67 116.94 120.17 1b86 h PHE 433 Ca 0.11 0.03 -0.31 0.00 2.80 0.00 0.00 57.97 60.60 1b86 h PHE 433 Cb 0.02 -0.42 0.00 0.00 2.20 0.00 0.00 35.95 37.76 1b86 h PHE 433 CO -0.09 0.73 -1.48 -0.07 -0.60 0.00 0.00 178.31 176.80 1b86 h LEU 434 N 1.29 0.47 0.00 1.54 3.38 -1.46 -3.26 115.31 117.27 1b86 h LEU 434 Ca 0.39 -0.59 -0.23 0.00 0.09 0.00 0.00 57.88 57.54 1b86 h LEU 434 Cb -0.04 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.52 1b86 h LEU 434 CO -0.12 1.49 -1.35 0.28 0.09 0.00 0.00 178.44 178.83 1b86 h SER 435 N 0.08 0.00 -2.65 -0.43 0.02 -0.11 -3.40 113.55 107.07 1b86 h SER 435 Ca -0.23 0.00 -0.60 0.00 -0.84 0.00 0.00 61.79 60.12 1b86 h SER 435 Cb 2.03 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 64.17 1b86 h SER 435 CO 0.19 0.87 -0.78 0.49 -1.14 0.00 0.00 176.83 176.46 1b86 n PHE 436 N -3.11 1.33 0.06 3.45 3.72 0.56 -5.01 117.46 118.46 1b86 n PHE 436 Ca -0.09 -3.84 0.20 0.00 -0.05 0.00 0.00 57.45 53.67 1b86 n PHE 436 Cb 0.95 -0.24 0.73 0.00 -0.94 0.00 0.00 39.48 39.98 1b86 n PHE 436 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1b86 h PRO 437 N 5.29 0.00 -0.07 -1.08 0.13 -1.70 -0.07 132.00 134.50 1b86 h PRO 437 Ca 0.20 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.35 1b86 h PRO 437 Cb 0.82 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.94 1b86 h PRO 437 CO 0.57 0.00 0.06 1.79 -0.23 0.00 0.00 178.00 180.19 1b86 h THR 438 N 0.00 0.87 0.00 1.56 1.35 -1.91 -1.42 112.91 113.36 1b86 h THR 438 Ca 0.21 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.07 1b86 h THR 438 Cb 0.95 0.96 0.00 0.00 -1.73 0.00 0.00 68.15 68.32 1b86 h THR 438 CO -0.00 0.00 0.00 0.71 -0.25 0.00 0.00 175.52 175.98 1b86 h THR 439 N 0.00 0.00 0.00 6.82 1.35 -1.31 -2.11 112.91 117.66 1b86 h THR 439 Ca 0.04 -0.22 -0.04 0.00 -0.55 0.00 0.00 66.41 65.63 1b86 h THR 439 Cb 0.15 1.07 -0.01 0.00 -1.73 0.00 0.00 68.15 67.64 1b86 h THR 439 CO -0.00 0.00 -0.20 0.11 -0.25 0.00 0.00 175.52 175.18 1b86 h LYS 440 N 0.00 0.00 0.00 4.72 1.57 -1.44 -3.24 116.57 118.19 1b86 h LYS 440 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1b86 h LYS 440 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1b86 h LYS 440 CO 0.00 0.20 0.00 0.25 -0.57 0.00 0.00 179.45 179.33 1b86 n THR 441 N -3.43 1.80 0.80 -0.16 -2.24 -0.79 -1.07 114.28 109.19 1b86 n THR 441 Ca -0.00 0.54 0.11 0.00 -2.27 0.00 0.00 64.05 62.43 1b86 n THR 441 Cb 0.39 -1.54 0.05 0.00 -2.10 0.00 0.00 70.33 67.12 1b86 n THR 441 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1b86 n TYR 442 N -1.65 0.11 -2.28 4.78 4.01 -1.22 -4.36 117.16 116.55 1b86 n TYR 442 Ca -0.00 0.03 -0.19 0.00 -0.16 0.00 0.00 57.90 57.58 1b86 n TYR 442 Cb 0.01 -0.26 0.02 0.00 -0.31 0.00 0.00 39.34 38.80 1b86 n TYR 442 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1b86 n PHE 443 N -1.71 2.47 0.31 -0.72 3.01 -0.23 -4.87 117.46 115.73 1b86 n PHE 443 Ca 0.03 -2.35 0.21 0.00 1.01 0.00 0.00 57.45 56.36 1b86 n PHE 443 Cb 0.38 -0.28 1.10 0.00 -0.01 0.00 0.00 39.48 40.67 1b86 n PHE 443 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1b86 h PRO 444 N 2.36 0.00 -0.15 -1.08 0.13 -1.76 -0.19 132.00 131.31 1b86 h PRO 444 Ca 0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.37 1b86 h PRO 444 Cb 1.39 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.52 1b86 h PRO 444 CO 0.64 0.00 0.00 -2.39 -0.23 0.00 0.00 178.00 176.02 1b86 n HIS 445 N -2.97 0.18 -4.10 1.56 1.44 -1.26 -4.94 115.22 105.12 1b86 n HIS 445 Ca -0.02 -0.09 -0.28 0.00 -2.01 0.00 0.00 57.72 55.32 1b86 n HIS 445 Cb 0.09 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.13 1b86 n HIS 445 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1b86 s PHE 446 N -1.82 3.09 -0.10 -1.40 0.40 -0.09 -5.06 117.98 113.00 1b86 s PHE 446 Ca 0.34 -0.02 -0.30 0.00 -0.60 0.00 0.00 56.93 56.36 1b86 s PHE 446 Cb 0.20 -1.51 -0.01 0.00 0.51 0.00 0.00 43.02 42.20 1b86 s PHE 446 CO 0.30 0.51 1.02 0.34 0.70 0.00 0.00 175.22 178.09 1b86 s ASP 447 N -2.85 7.23 0.00 1.36 2.15 -1.26 -4.90 116.67 118.40 1b86 s ASP 447 Ca 0.29 1.55 0.23 0.00 0.43 0.00 0.00 52.55 55.05 1b86 s ASP 447 Cb -0.11 -2.56 0.49 0.00 -0.30 0.00 0.00 42.92 40.45 1b86 s ASP 447 CO 0.22 -0.46 1.43 0.18 -0.17 0.00 0.00 175.17 176.37 1b86 n LEU 448 N 5.03 2.99 -4.54 -1.34 4.77 -1.26 -4.52 117.00 118.13 1b86 n LEU 448 Ca 0.09 -1.27 -0.30 0.00 -0.03 0.00 0.00 56.01 54.50 1b86 n LEU 448 Cb 0.48 -0.20 0.21 0.00 -2.33 0.00 0.00 43.42 41.58 1b86 n LEU 448 CO 0.52 0.63 0.48 -1.54 -1.33 0.00 0.00 177.39 176.16 1b86 n SER 449 N 1.20 -0.93 -4.71 -1.43 3.41 -1.26 -4.83 113.62 105.06 1b86 n SER 449 Ca 0.18 0.11 -0.42 0.00 -0.26 0.00 0.00 58.87 58.48 1b86 n SER 449 Cb 0.54 -1.33 -0.03 0.00 -0.26 0.00 0.00 64.21 63.13 1b86 n SER 449 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 1b86 s HIS 450 N -2.49 3.35 -0.86 7.33 2.46 -1.26 -1.44 115.29 122.38 1b86 s HIS 450 Ca 0.67 1.21 -0.00 0.00 0.47 0.00 0.00 55.06 57.40 1b86 s HIS 450 Cb -0.23 -3.48 0.00 0.00 -0.13 0.00 0.00 32.58 28.74 1b86 s HIS 450 CO 0.62 -1.54 0.03 0.41 -2.47 0.00 0.00 174.74 171.79 1b86 n GLY 451 N 3.30 -0.04 3.75 1.59 0.00 -1.26 -5.00 105.19 107.53 1b86 n GLY 451 Ca 0.10 -0.45 -0.33 0.00 0.00 0.00 0.00 46.02 45.34 1b86 n GLY 451 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1b86 s SER 452 N -2.57 4.75 0.13 1.61 1.04 -0.52 -4.92 113.70 113.22 1b86 s SER 452 Ca 0.01 2.11 0.01 0.00 0.48 0.00 0.00 55.95 58.57 1b86 s SER 452 Cb -0.01 -2.56 -0.14 0.00 0.10 0.00 0.00 66.02 63.41 1b86 s SER 452 CO 0.02 -1.88 1.28 0.00 0.98 0.00 0.00 173.24 173.64 1b86 h ALA 453 N -0.15 0.35 0.44 5.32 0.00 -1.90 -2.89 119.26 120.43 1b86 h ALA 453 Ca -0.47 -0.82 -0.02 0.00 0.00 0.00 0.00 54.91 53.60 1b86 h ALA 453 Cb 1.26 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1b86 h ALA 453 CO 0.52 1.02 -0.21 1.96 0.00 0.00 0.00 179.25 182.54 1b86 h GLN 454 N 0.07 -0.57 -0.61 0.00 4.20 -1.91 0.30 115.11 116.58 1b86 h GLN 454 Ca -0.06 0.04 0.02 0.00 0.06 0.00 0.00 58.65 58.71 1b86 h GLN 454 Cb 1.71 0.13 -0.04 0.00 0.30 0.00 0.00 27.48 29.59 1b86 h GLN 454 CO 0.15 -0.27 0.38 0.28 -0.67 0.00 0.00 178.83 178.71 1b86 h VAL 455 N -0.89 1.09 -0.10 -0.54 2.07 -1.80 0.38 116.25 116.47 1b86 h VAL 455 Ca -0.06 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 1b86 h VAL 455 Cb 0.57 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 30.60 1b86 h VAL 455 CO 0.10 0.14 0.04 0.11 0.02 0.00 0.00 177.57 177.98 1b86 h LYS 456 N 0.76 0.15 -0.44 1.57 1.57 -1.48 1.01 116.57 119.70 1b86 h LYS 456 Ca 0.24 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.94 1b86 h LYS 456 Cb -0.00 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 1b86 h LYS 456 CO -0.09 0.26 0.04 0.78 -0.57 0.00 0.00 179.45 179.87 1b86 h GLY 457 N 0.00 0.80 0.78 3.86 0.00 -0.06 -1.71 103.07 106.75 1b86 h GLY 457 Ca 0.03 -0.56 0.07 0.00 0.00 0.00 0.00 47.33 46.88 1b86 h GLY 457 CO -0.00 0.52 0.60 0.84 0.00 0.00 0.00 176.54 178.50 1b86 h HIS 458 N 0.60 1.07 -0.64 5.60 -0.00 0.16 -1.20 115.15 120.74 1b86 h HIS 458 Ca 0.13 0.03 0.07 0.00 -0.00 0.00 0.00 60.37 60.60 1b86 h HIS 458 Cb 0.43 -0.35 -0.06 0.00 -0.00 0.00 0.00 27.41 27.43 1b86 h HIS 458 CO 0.03 0.54 0.32 0.78 -0.00 0.00 0.00 177.93 179.59 1b86 h GLY 459 N 1.03 0.93 0.94 5.26 0.00 0.20 -2.05 103.07 109.37 1b86 h GLY 459 Ca 0.41 -0.21 -0.09 0.00 0.00 0.00 0.00 47.33 47.45 1b86 h GLY 459 CO -0.16 0.09 -0.13 1.70 0.00 0.00 0.00 176.54 178.03 1b86 h LYS 460 N 0.57 0.67 -0.11 4.80 3.64 -1.03 0.13 116.57 125.24 1b86 h LYS 460 Ca 0.30 -0.28 0.04 0.00 -1.27 0.00 0.00 60.65 59.44 1b86 h LYS 460 Cb 0.26 -0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 31.99 1b86 h LYS 460 CO -0.23 0.87 -0.45 0.87 -2.27 0.00 0.00 179.45 178.24 1b86 h LYS 461 N 0.45 -0.51 -0.50 1.90 1.57 -0.58 0.71 116.57 119.61 1b86 h LYS 461 Ca 0.08 0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.94 1b86 h LYS 461 Cb 0.65 0.12 -0.04 0.00 0.08 0.00 0.00 32.23 33.03 1b86 h LYS 461 CO 0.04 -0.34 0.25 0.28 -0.57 0.00 0.00 179.45 179.11 1b86 h VAL 462 N -0.53 0.96 -0.51 0.50 2.07 -1.42 -0.82 116.25 116.50 1b86 h VAL 462 Ca 0.06 -0.17 0.07 0.00 0.82 0.00 0.00 66.70 67.49 1b86 h VAL 462 Cb 0.65 0.42 -0.06 0.00 -1.52 0.00 0.00 31.29 30.78 1b86 h VAL 462 CO -0.40 0.09 0.17 0.00 0.02 0.00 0.00 177.57 177.46 1b86 h ALA 463 N 1.27 0.62 -0.36 1.67 0.00 -0.48 -0.51 119.26 121.47 1b86 h ALA 463 Ca 0.22 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.15 1b86 h ALA 463 Cb 0.13 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1b86 h ALA 463 CO -0.15 -0.22 0.02 -0.44 0.00 0.00 0.00 179.25 178.45 1b86 h ASP 464 N 0.35 0.52 0.13 0.00 3.32 -0.44 0.42 116.42 120.72 1b86 h ASP 464 Ca 0.25 -0.10 -0.11 0.00 0.02 0.00 0.00 57.03 57.09 1b86 h ASP 464 Cb 0.28 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 1b86 h ASP 464 CO -0.26 0.58 -0.39 0.00 -1.72 0.00 0.00 179.24 177.46 1b86 h ALA 465 N 1.49 1.05 -0.17 3.45 0.00 0.37 -2.44 119.26 123.00 1b86 h ALA 465 Ca 0.12 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1b86 h ALA 465 Cb 0.32 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1b86 h ALA 465 CO 0.01 0.60 0.11 -0.07 0.00 0.00 0.00 179.25 179.89 1b86 h LEU 466 N 0.29 0.19 -0.19 0.00 4.07 -0.99 0.59 115.31 119.27 1b86 h LEU 466 Ca 0.03 -0.00 0.05 0.00 0.08 0.00 0.00 57.88 58.04 1b86 h LEU 466 Cb 0.81 -0.04 -0.06 0.00 1.08 0.00 0.00 40.66 42.45 1b86 h LEU 466 CO 0.07 0.14 -0.18 0.74 -1.08 0.00 0.00 178.44 178.13 1b86 h THR 467 N 0.23 0.53 -0.24 0.22 2.02 -0.93 0.48 112.91 115.21 1b86 h THR 467 Ca 0.06 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.16 1b86 h THR 467 Cb -0.02 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 1b86 h THR 467 CO -0.02 0.00 -0.20 -1.13 0.37 0.00 0.00 175.52 174.54 1b86 h ASN 468 N -0.19 0.43 -0.16 4.18 -1.24 -1.03 -1.27 115.58 116.29 1b86 h ASN 468 Ca 0.12 -0.13 -0.12 0.00 0.71 0.00 0.00 56.30 56.88 1b86 h ASN 468 Cb 0.37 -0.12 0.00 0.00 0.73 0.00 0.00 38.32 39.30 1b86 h ASN 468 CO -0.31 0.65 -0.35 0.00 -1.29 0.00 0.00 177.43 176.13 1b86 h ALA 469 N 1.39 0.26 -0.48 1.57 0.00 0.13 -3.13 119.26 119.01 1b86 h ALA 469 Ca 0.07 -0.43 0.10 0.00 0.00 0.00 0.00 54.91 54.64 1b86 h ALA 469 Cb 0.58 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 18.23 1b86 h ALA 469 CO 0.04 0.32 -0.22 0.28 0.00 0.00 0.00 179.25 179.68 1b86 h VAL 470 N 0.16 0.36 -0.74 0.00 2.07 0.58 -1.43 116.25 117.25 1b86 h VAL 470 Ca 0.00 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.58 1b86 h VAL 470 Cb 0.95 0.36 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 1b86 h VAL 470 CO 0.08 0.00 0.48 0.00 0.02 0.00 0.00 177.57 178.15 1b86 h ALA 471 N 1.21 1.66 -0.84 1.67 0.00 -1.27 -2.51 119.26 119.18 1b86 h ALA 471 Ca 0.22 -0.02 -0.57 0.00 0.00 0.00 0.00 54.91 54.54 1b86 h ALA 471 Cb 0.46 -0.21 -0.32 0.00 0.00 0.00 0.00 17.79 17.72 1b86 h ALA 471 CO -0.55 0.23 0.19 0.72 0.00 0.00 0.00 179.25 179.84 1b86 n HIS 472 N -4.47 2.82 0.08 0.00 -0.00 -1.03 -4.77 115.22 107.84 1b86 n HIS 472 Ca 0.10 -2.52 0.20 0.00 -0.00 0.00 0.00 57.72 55.51 1b86 n HIS 472 Cb 0.20 -0.94 0.75 0.00 -0.00 0.00 0.00 29.99 29.99 1b86 n HIS 472 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.34 176.10 1b86 h VAL 473 N 1.39 0.42 -0.00 1.59 3.04 -0.80 -1.66 116.25 120.23 1b86 h VAL 473 Ca 0.49 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.18 1b86 h VAL 473 Cb 1.29 0.67 0.00 0.00 -2.01 0.00 0.00 31.29 31.24 1b86 h VAL 473 CO 1.15 0.00 -0.74 0.47 -1.01 0.00 0.00 177.57 177.44 1b86 n ASP 474 N -3.80 0.90 -2.68 3.17 8.00 -1.26 -4.43 116.55 116.46 1b86 n ASP 474 Ca 0.07 -0.77 -0.05 0.00 0.71 0.00 0.00 54.79 54.75 1b86 n ASP 474 Cb 0.60 0.64 0.04 0.00 -0.02 0.00 0.00 41.12 42.39 1b86 n ASP 474 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1b86 n ASP 475 N -1.34 2.19 -0.04 -2.24 2.03 -0.68 -4.95 116.55 111.52 1b86 n ASP 475 Ca 0.05 -2.40 -0.08 0.00 0.52 0.00 0.00 54.79 52.88 1b86 n ASP 475 Cb 0.34 -0.46 -0.02 0.00 -0.72 0.00 0.00 41.12 40.26 1b86 n ASP 475 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1b86 h MET 476 N 2.57 -0.21 -1.00 -0.67 2.86 -1.61 0.58 114.93 117.46 1b86 h MET 476 Ca -0.04 0.01 0.38 0.00 -2.06 0.00 0.00 59.70 57.99 1b86 h MET 476 Cb 1.30 0.05 -0.18 0.00 0.06 0.00 0.00 31.60 32.83 1b86 h MET 476 CO 0.32 -0.14 0.39 -1.35 1.06 0.00 0.00 176.91 177.19 1b86 h PRO 477 N -0.21 0.00 0.02 -0.22 0.11 -1.92 1.01 132.00 130.79 1b86 h PRO 477 Ca 0.13 -0.00 -0.30 0.00 0.11 0.00 0.00 66.00 65.94 1b86 h PRO 477 Cb 0.40 -0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.47 1b86 h PRO 477 CO -0.34 0.00 -1.71 -0.91 -0.21 0.00 0.00 178.00 174.83 1b86 h ASN 478 N 0.00 0.08 -0.03 -2.05 -0.26 -1.40 -2.49 115.58 109.43 1b86 h ASN 478 Ca 0.78 -0.17 -0.07 0.00 -0.56 0.00 0.00 56.30 56.28 1b86 h ASN 478 Cb 1.96 -0.03 -0.01 0.00 -1.06 0.00 0.00 38.32 39.18 1b86 h ASN 478 CO -0.82 1.15 -0.16 0.00 -1.06 0.00 0.00 177.43 176.55 1b86 h ALA 479 N 0.83 1.34 -0.34 -0.83 0.00 0.55 -3.28 119.26 117.53 1b86 h ALA 479 Ca -0.29 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1b86 h ALA 479 Cb 2.01 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.69 1b86 h ALA 479 CO 0.09 0.45 0.00 1.28 0.00 0.00 0.00 179.25 181.07 1b86 n LEU 480 N -4.21 2.99 -0.11 0.00 4.77 0.29 -4.74 117.00 115.98 1b86 n LEU 480 Ca -0.00 -1.70 -0.11 0.00 -0.03 0.00 0.00 56.01 54.17 1b86 n LEU 480 Cb 0.32 -0.22 -0.08 0.00 -2.33 0.00 0.00 43.42 41.10 1b86 n LEU 480 CO 0.39 0.70 0.50 0.77 -1.33 0.00 0.00 177.39 178.42 1b86 h SER 481 N 2.89 -1.52 -1.07 -1.43 4.64 -1.51 -0.23 113.55 115.32 1b86 h SER 481 Ca 0.00 0.20 0.29 0.00 -0.47 0.00 0.00 61.79 61.81 1b86 h SER 481 Cb 0.77 0.62 -0.11 0.00 -0.31 0.00 0.00 62.40 63.37 1b86 h SER 481 CO 0.00 -0.33 0.67 0.00 -0.87 0.00 0.00 176.83 176.30 1b86 h ALA 482 N -0.28 2.17 0.02 5.18 0.00 -1.85 -1.81 119.26 122.69 1b86 h ALA 482 Ca 0.06 0.10 -0.22 0.00 0.00 0.00 0.00 54.91 54.85 1b86 h ALA 482 Cb 0.49 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1b86 h ALA 482 CO -0.48 -0.65 -1.03 1.25 0.00 0.00 0.00 179.25 178.34 1b86 h LEU 483 N 0.39 0.09 -0.65 0.00 5.85 -1.43 0.27 115.31 119.83 1b86 h LEU 483 Ca 0.65 -0.09 -0.14 0.00 0.84 0.00 0.00 57.88 59.14 1b86 h LEU 483 Cb 1.61 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.60 1b86 h LEU 483 CO -0.38 1.05 -0.46 0.28 -0.34 0.00 0.00 178.44 178.59 1b86 h SER 484 N 0.02 0.56 0.12 1.25 0.02 -0.45 -2.10 113.55 112.96 1b86 h SER 484 Ca -0.03 -0.26 -0.01 0.00 -0.84 0.00 0.00 61.79 60.65 1b86 h SER 484 Cb 1.77 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 64.16 1b86 h SER 484 CO 0.14 0.93 -0.06 0.44 -1.14 0.00 0.00 176.83 177.15 1b86 h ASP 485 N 0.42 -0.13 -0.53 3.07 3.32 -1.40 0.55 116.42 121.71 1b86 h ASP 485 Ca 0.03 -0.23 0.09 0.00 0.02 0.00 0.00 57.03 56.94 1b86 h ASP 485 Cb 0.96 0.03 -0.07 0.00 0.22 0.00 0.00 39.33 40.47 1b86 h ASP 485 CO 0.09 0.16 0.11 0.25 -1.72 0.00 0.00 179.24 178.12 1b86 h LEU 486 N -0.43 0.01 -0.19 1.55 5.85 -0.59 -2.16 115.31 119.34 1b86 h LEU 486 Ca -0.02 0.10 -0.11 0.00 0.84 0.00 0.00 57.88 58.69 1b86 h LEU 486 Cb 0.35 0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.51 1b86 h LEU 486 CO 0.03 0.03 -0.32 0.45 -0.34 0.00 0.00 178.44 178.28 1b86 h HIS 487 N 0.25 0.69 -0.22 1.25 3.86 -1.30 -1.92 115.15 117.77 1b86 h HIS 487 Ca 0.27 -0.24 -0.17 0.00 -1.16 0.00 0.00 60.37 59.08 1b86 h HIS 487 Cb 0.37 -0.13 -0.00 0.00 1.06 0.00 0.00 27.41 28.71 1b86 h HIS 487 CO -0.23 0.96 -0.54 0.00 0.86 0.00 0.00 177.93 178.98 1b86 h ALA 488 N 0.60 0.65 0.00 2.45 0.00 0.27 0.83 119.26 124.05 1b86 h ALA 488 Ca 0.01 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1b86 h ALA 488 Cb 0.91 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1b86 h ALA 488 CO 0.07 0.69 -1.41 0.72 0.00 0.00 0.00 179.25 179.32 1b86 n HIS 489 N -3.97 0.00 0.03 0.00 8.25 -0.83 -4.55 115.22 114.15 1b86 n HIS 489 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 1b86 n HIS 489 Cb 0.61 -0.25 0.00 0.00 1.12 0.00 0.00 29.99 31.47 1b86 n HIS 489 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1b86 n LYS 490 N -1.83 0.00 -0.01 -0.41 4.81 -0.96 -4.86 118.16 114.90 1b86 n LYS 490 Ca -0.01 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.30 1b86 n LYS 490 Cb 0.33 -0.49 -0.10 0.00 0.02 0.00 0.00 35.03 34.79 1b86 n LYS 490 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1b86 h LEU 491 N 0.00 -0.05 -1.38 3.14 3.38 -1.48 -3.48 115.31 115.44 1b86 h LEU 491 Ca 0.00 -0.57 -0.37 0.00 0.09 0.00 0.00 57.88 57.03 1b86 h LEU 491 Cb 0.37 0.01 0.14 0.00 0.09 0.00 0.00 40.66 41.28 1b86 h LEU 491 CO 0.00 0.58 -0.75 0.54 0.09 0.00 0.00 178.44 178.91 1b86 n ARG 492 N -4.81 -6.86 -2.14 1.13 1.74 0.29 -4.96 116.66 101.05 1b86 n ARG 492 Ca -0.09 0.81 -0.40 0.00 -0.77 0.00 0.00 57.85 57.41 1b86 n ARG 492 Cb 0.31 -5.80 -0.02 0.00 -1.02 0.00 0.00 32.46 25.94 1b86 n ARG 492 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1b86 s VAL 493 N -3.37 2.78 0.18 1.55 1.01 -1.26 -4.91 120.40 116.38 1b86 s VAL 493 Ca 0.22 0.73 -0.31 0.00 0.00 0.00 0.00 61.98 62.62 1b86 s VAL 493 Cb -0.10 -3.44 -0.10 0.00 0.00 0.00 0.00 36.38 32.74 1b86 s VAL 493 CO 0.74 0.13 1.56 -0.62 0.00 0.00 0.00 175.10 176.91 1b86 s ASP 494 N -0.71 6.58 0.59 3.32 -1.08 -1.26 -4.85 116.67 119.26 1b86 s ASP 494 Ca 0.53 2.64 0.33 0.00 -0.52 0.00 0.00 52.55 55.53 1b86 s ASP 494 Cb -0.37 -2.60 1.30 0.00 -1.46 0.00 0.00 42.92 39.79 1b86 s ASP 494 CO 0.48 -0.81 1.58 -0.65 0.52 0.00 0.00 175.17 176.29 1b86 h PRO 495 N 6.50 0.00 0.00 4.34 0.11 -1.99 -2.02 132.00 138.93 1b86 h PRO 495 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1b86 h PRO 495 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1b86 h PRO 495 CO 0.89 0.00 0.00 -0.24 -0.21 0.00 0.00 178.00 178.44 1b86 h VAL 496 N 0.00 0.00 0.00 3.15 3.04 -2.02 -2.62 116.25 117.80 1b86 h VAL 496 Ca 0.51 -0.25 -0.08 0.00 -1.01 0.00 0.00 66.70 65.87 1b86 h VAL 496 Cb 2.53 1.17 -0.01 0.00 -2.01 0.00 0.00 31.29 32.96 1b86 h VAL 496 CO -0.01 0.00 -0.39 0.78 -1.01 0.00 0.00 177.57 176.95 1b86 h ASN 497 N 0.00 0.00 -0.76 3.17 4.21 -1.73 -3.25 115.58 117.22 1b86 h ASN 497 Ca 0.00 0.00 0.05 0.00 1.21 0.00 0.00 56.30 57.56 1b86 h ASN 497 Cb 0.27 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 37.42 1b86 h ASN 497 CO 0.00 0.39 0.50 -0.26 -1.29 0.00 0.00 177.43 176.76 1b86 h PHE 498 N 0.00 0.86 0.00 1.19 -1.00 -1.68 -0.86 116.94 115.45 1b86 h PHE 498 Ca -0.00 0.02 -0.17 0.00 2.81 0.00 0.00 57.97 60.62 1b86 h PHE 498 Cb 1.11 -0.29 -0.02 0.00 3.61 0.00 0.00 35.95 40.36 1b86 h PHE 498 CO 0.00 0.48 -0.83 0.87 -1.61 0.00 0.00 178.31 177.22 1b86 h LYS 499 N 0.88 0.00 -0.18 1.51 1.57 -1.74 -1.80 116.57 116.81 1b86 h LYS 499 Ca 0.31 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.91 1b86 h LYS 499 Cb 0.13 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.45 1b86 h LYS 499 CO -0.10 0.83 -0.58 -0.07 -0.57 0.00 0.00 179.45 178.96 1b86 h LEU 500 N 0.00 0.82 -0.51 2.94 3.38 -1.34 -3.05 115.31 117.56 1b86 h LEU 500 Ca -0.01 -0.59 -0.15 0.00 0.09 0.00 0.00 57.88 57.22 1b86 h LEU 500 Cb 1.48 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.97 1b86 h LEU 500 CO 0.11 1.28 -0.72 0.25 0.09 0.00 0.00 178.44 179.44 1b86 h LEU 501 N 0.42 0.00 0.07 1.67 5.85 -1.22 -3.03 115.31 119.07 1b86 h LEU 501 Ca -0.02 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 1b86 h LEU 501 Cb 1.20 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.23 1b86 h LEU 501 CO 0.12 0.72 -0.03 0.28 -0.34 0.00 0.00 178.44 179.19 1b86 h SER 502 N 0.00 -0.08 -0.72 1.25 0.02 -1.36 -2.50 113.55 110.16 1b86 h SER 502 Ca -0.01 -0.05 0.13 0.00 -0.84 0.00 0.00 61.79 61.02 1b86 h SER 502 Cb 1.31 0.02 -0.09 0.00 0.14 0.00 0.00 62.40 63.78 1b86 h SER 502 CO 0.09 0.00 0.26 -0.74 -1.14 0.00 0.00 176.83 175.31 1b86 h HIS 503 N -0.15 0.45 0.00 3.45 -0.00 -1.55 -0.57 115.15 116.78 1b86 h HIS 503 Ca -0.01 0.04 0.00 0.00 -0.00 0.00 0.00 60.37 60.40 1b86 h HIS 503 Cb 0.12 -0.09 0.00 0.00 -0.00 0.00 0.00 27.41 27.45 1b86 h HIS 503 CO -0.05 0.05 0.00 0.00 -0.00 0.00 0.00 177.93 177.92 1b86 h LEU 505 N 0.00 0.27 0.29 0.00 7.12 -0.66 -2.94 115.31 119.39 1b86 h LEU 505 Ca 0.00 -0.33 -0.01 0.00 0.13 0.00 0.00 57.88 57.66 1b86 h LEU 505 Cb 0.47 -0.09 0.00 0.00 -0.53 0.00 0.00 40.66 40.51 1b86 h LEU 505 CO 0.00 1.27 -0.14 -0.07 -0.13 0.00 0.00 178.44 179.37 1b86 h LEU 506 N 0.05 -0.33 -0.54 2.25 4.07 -0.96 -1.46 115.31 118.38 1b86 h LEU 506 Ca -0.16 0.01 0.06 0.00 0.08 0.00 0.00 57.88 57.87 1b86 h LEU 506 Cb 1.94 0.09 -0.08 0.00 1.08 0.00 0.00 40.66 43.68 1b86 h LEU 506 CO 0.16 -0.19 -0.51 0.58 -1.08 0.00 0.00 178.44 177.40 1b86 h VAL 507 N -0.49 0.00 -0.62 1.22 2.07 -1.43 0.24 116.25 117.25 1b86 h VAL 507 Ca -0.04 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.60 1b86 h VAL 507 Cb 0.30 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 29.95 1b86 h VAL 507 CO 0.07 0.00 -0.26 0.74 0.02 0.00 0.00 177.57 178.14 1b86 h THR 508 N -0.24 0.24 -0.10 2.57 2.02 -1.55 -0.33 112.91 115.53 1b86 h THR 508 Ca 0.09 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.30 1b86 h THR 508 Cb 0.48 0.24 -0.03 0.00 -1.74 0.00 0.00 68.15 67.10 1b86 h THR 508 CO -0.64 0.00 -0.08 -0.07 0.37 0.00 0.00 175.52 175.10 1b86 h LEU 509 N -0.09 -0.26 -0.77 2.58 3.38 -0.16 -2.62 115.31 117.36 1b86 h LEU 509 Ca 0.27 0.06 0.12 0.00 0.09 0.00 0.00 57.88 58.42 1b86 h LEU 509 Cb 0.53 0.14 -0.09 0.00 0.09 0.00 0.00 40.66 41.33 1b86 h LEU 509 CO -0.68 -0.12 0.37 0.00 0.09 0.00 0.00 178.44 178.11 1b86 h ALA 510 N 0.98 1.11 0.00 1.53 0.00 0.10 0.22 119.26 123.20 1b86 h ALA 510 Ca 0.07 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1b86 h ALA 510 Cb 0.20 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1b86 h ALA 510 CO -0.16 -0.10 0.00 0.00 0.00 0.00 0.00 179.25 178.99 1b86 n ALA 511 N -2.44 2.03 -0.02 0.00 0.00 -0.33 -3.41 120.51 116.33 1b86 n ALA 511 Ca 0.14 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1b86 n ALA 511 Cb 0.37 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.46 1b86 n ALA 511 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1b86 n HIS 512 N -1.48 0.00 -3.13 0.00 8.25 -0.39 -4.83 115.22 113.63 1b86 n HIS 512 Ca 0.06 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.32 1b86 n HIS 512 Cb 0.25 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.33 1b86 n HIS 512 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1b86 n LEU 513 N -0.66 1.67 0.14 2.41 4.77 0.63 -4.98 117.00 120.97 1b86 n LEU 513 Ca 0.00 -5.16 -0.14 0.00 -0.03 0.00 0.00 56.01 50.68 1b86 n LEU 513 Cb 0.00 0.43 -0.07 0.00 -2.33 0.00 0.00 43.42 41.45 1b86 n LEU 513 CO 0.00 2.30 0.62 1.55 -1.33 0.00 0.00 177.39 180.54 1b86 h PRO 514 N 3.00 -0.60 -0.62 3.23 0.13 -1.79 0.77 132.00 136.11 1b86 h PRO 514 Ca 0.11 0.04 0.10 0.00 -0.87 0.00 0.00 66.00 65.38 1b86 h PRO 514 Cb 0.86 0.14 -0.08 0.00 0.13 0.00 0.00 31.00 32.05 1b86 h PRO 514 CO 0.57 -0.40 0.21 0.00 -0.23 0.00 0.00 178.00 178.15 1b86 h ALA 515 N -0.08 0.80 0.00 -0.56 0.00 -1.94 -3.00 119.26 114.49 1b86 h ALA 515 Ca 0.02 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1b86 h ALA 515 Cb 0.63 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1b86 h ALA 515 CO -0.18 -0.22 -0.40 1.05 0.00 0.00 0.00 179.25 179.50 1b86 h GLU 516 N 0.38 0.00 -3.65 0.00 9.09 -1.87 -3.39 114.58 115.15 1b86 h GLU 516 Ca 0.32 0.00 -0.69 0.00 0.05 0.00 0.00 59.36 59.04 1b86 h GLU 516 Cb 0.43 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.51 1b86 h GLU 516 CO -0.34 0.00 3.37 0.34 0.05 0.00 0.00 179.01 182.43 1b86 n PHE 517 N -2.22 3.05 -2.05 2.06 7.35 0.22 -4.71 117.46 121.17 1b86 n PHE 517 Ca 0.04 -2.97 -0.29 0.00 -0.76 0.00 0.00 57.45 53.47 1b86 n PHE 517 Cb 0.44 -2.50 0.05 0.00 0.35 0.00 0.00 39.48 37.83 1b86 n PHE 517 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 1b86 s THR 518 N 2.89 3.12 0.26 -2.13 2.01 -1.26 -4.73 115.64 115.80 1b86 s THR 518 Ca 0.55 0.19 -0.02 0.00 0.31 0.00 0.00 61.69 62.72 1b86 s THR 518 Cb 0.15 -3.33 0.24 0.00 0.01 0.00 0.00 72.50 69.57 1b86 s THR 518 CO -0.07 -0.40 1.76 -0.65 -0.69 0.00 0.00 174.62 174.57 1b86 h PRO 519 N -0.60 0.59 0.00 4.92 0.11 -1.98 0.50 132.00 135.55 1b86 h PRO 519 Ca -0.45 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.59 1b86 h PRO 519 Cb 1.28 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 1b86 h PRO 519 CO 0.63 0.39 -0.18 0.00 -0.21 0.00 0.00 178.00 178.64 1b86 h ALA 520 N 1.55 0.89 0.13 -0.75 0.00 -1.96 -0.75 119.26 118.37 1b86 h ALA 520 Ca 0.45 -0.16 -0.29 0.00 0.00 0.00 0.00 54.91 54.91 1b86 h ALA 520 Cb 0.63 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1b86 h ALA 520 CO -0.36 0.22 -1.34 0.28 0.00 0.00 0.00 179.25 178.05 1b86 h VAL 521 N 0.00 1.38 -0.03 0.00 2.07 -0.98 -2.68 116.25 116.01 1b86 h VAL 521 Ca -0.00 -2.97 -0.00 0.00 0.82 0.00 0.00 66.70 64.55 1b86 h VAL 521 Cb 1.09 2.89 -0.00 0.00 -1.52 0.00 0.00 31.29 33.75 1b86 h VAL 521 CO 0.02 0.86 0.02 -0.74 0.02 0.00 0.00 177.57 177.75 1b86 h HIS 522 N 0.07 0.04 -0.97 1.57 6.17 -0.03 -1.85 115.15 120.15 1b86 h HIS 522 Ca -0.17 -0.00 0.01 0.00 0.71 0.00 0.00 60.37 60.92 1b86 h HIS 522 Cb 1.99 -0.01 -0.05 0.00 2.52 0.00 0.00 27.41 31.86 1b86 h HIS 522 CO 0.07 0.13 0.65 0.00 0.71 0.00 0.00 177.93 179.48 1b86 h ALA 523 N 0.91 1.32 -0.00 5.26 0.00 -1.17 -2.14 119.26 123.43 1b86 h ALA 523 Ca 0.01 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1b86 h ALA 523 Cb 0.10 -0.39 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 1b86 h ALA 523 CO -0.00 0.63 0.00 0.77 0.00 0.00 0.00 179.25 180.65 1b86 h SER 524 N 1.31 0.00 -0.52 0.00 0.02 -1.18 -2.71 113.55 110.47 1b86 h SER 524 Ca 0.36 -0.13 -0.02 0.00 -0.84 0.00 0.00 61.79 61.16 1b86 h SER 524 Cb -0.13 -0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 1b86 h SER 524 CO -0.08 0.13 0.23 -0.07 -1.14 0.00 0.00 176.83 175.90 1b86 h LEU 525 N -0.12 0.70 0.05 5.07 3.38 -1.19 0.11 115.31 123.30 1b86 h LEU 525 Ca 0.00 -0.15 0.03 0.00 0.09 0.00 0.00 57.88 57.85 1b86 h LEU 525 Cb 0.13 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 1b86 h LEU 525 CO -0.00 0.65 -0.39 -0.78 0.09 0.00 0.00 178.44 178.01 1b86 h ASP 526 N 0.70 -1.16 -0.16 -0.43 3.58 -1.46 0.44 116.42 117.93 1b86 h ASP 526 Ca 0.18 0.14 -0.03 0.00 0.42 0.00 0.00 57.03 57.74 1b86 h ASP 526 Cb 0.15 0.45 -0.01 0.00 1.72 0.00 0.00 39.33 41.63 1b86 h ASP 526 CO -0.02 -0.45 0.03 0.11 -2.88 0.00 0.00 179.24 176.03 1b86 h LYS 527 N -0.58 0.37 0.48 0.28 1.57 -1.09 -1.03 116.57 116.58 1b86 h LYS 527 Ca 0.04 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 1b86 h LYS 527 Cb 0.64 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.88 1b86 h LYS 527 CO -0.27 0.38 -0.27 0.35 -0.57 0.00 0.00 179.45 179.06 1b86 h PHE 528 N 0.37 -0.73 -0.86 -1.35 3.57 0.04 -0.65 116.94 117.33 1b86 h PHE 528 Ca 0.09 -0.01 0.21 0.00 3.53 0.00 0.00 57.97 61.79 1b86 h PHE 528 Cb 0.20 0.25 -0.05 0.00 2.79 0.00 0.00 35.95 39.14 1b86 h PHE 528 CO 0.01 -0.42 0.59 -0.07 -2.23 0.00 0.00 178.31 176.19 1b86 h LEU 529 N -0.70 0.25 -0.22 0.59 3.38 0.10 0.36 115.31 119.07 1b86 h LEU 529 Ca -0.06 0.03 -0.21 0.00 0.09 0.00 0.00 57.88 57.72 1b86 h LEU 529 Cb 0.55 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.29 1b86 h LEU 529 CO 0.08 0.10 -0.70 0.00 0.09 0.00 0.00 178.44 178.00 1b86 h ALA 530 N 1.61 0.37 0.02 1.53 0.00 -0.75 -2.36 119.26 119.68 1b86 h ALA 530 Ca 0.44 -0.57 -0.21 0.00 0.00 0.00 0.00 54.91 54.56 1b86 h ALA 530 Cb 1.30 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 1b86 h ALA 530 CO -0.11 0.69 -0.97 0.66 0.00 0.00 0.00 179.25 179.52 1b86 h SER 531 N 0.58 0.11 -0.36 0.00 4.64 0.12 0.09 113.55 118.73 1b86 h SER 531 Ca -0.03 -0.11 -0.03 0.00 -0.47 0.00 0.00 61.79 61.15 1b86 h SER 531 Cb 1.32 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 63.36 1b86 h SER 531 CO 0.15 1.01 0.13 0.58 -0.87 0.00 0.00 176.83 177.82 1b86 h VAL 532 N 0.03 1.18 -0.41 0.95 2.07 -1.26 -2.31 116.25 116.50 1b86 h VAL 532 Ca -0.03 -0.62 -0.06 0.00 0.82 0.00 0.00 66.70 66.81 1b86 h VAL 532 Cb 1.67 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 32.15 1b86 h VAL 532 CO 0.14 0.23 0.03 0.28 0.02 0.00 0.00 177.57 178.27 1b86 h SER 533 N 0.61 0.69 -0.58 0.57 0.02 -1.21 -1.67 113.55 111.98 1b86 h SER 533 Ca 0.14 -0.29 -0.01 0.00 -0.84 0.00 0.00 61.79 60.79 1b86 h SER 533 Cb 0.20 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.52 1b86 h SER 533 CO -0.01 0.81 0.32 0.74 -1.14 0.00 0.00 176.83 177.55 1b86 h THR 534 N 0.55 1.19 -0.03 -2.27 2.02 -0.68 -2.17 112.91 111.52 1b86 h THR 534 Ca 0.12 -0.48 -0.14 0.00 0.77 0.00 0.00 66.41 66.68 1b86 h THR 534 Cb 0.43 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 67.21 1b86 h THR 534 CO 0.02 0.21 -0.64 0.58 0.37 0.00 0.00 175.52 176.05 1b86 h VAL 535 N 0.84 1.43 -0.14 3.16 2.07 -1.19 -2.74 116.25 119.67 1b86 h VAL 535 Ca 0.21 -2.12 -0.18 0.00 0.82 0.00 0.00 66.70 65.44 1b86 h VAL 535 Cb 0.04 2.11 0.01 0.00 -1.52 0.00 0.00 31.29 31.93 1b86 h VAL 535 CO -0.03 0.62 -0.61 -0.07 0.02 0.00 0.00 177.57 177.49 1b86 h LEU 536 N 0.10 0.79 -2.38 2.57 3.38 -0.87 -3.31 115.31 115.57 1b86 h LEU 536 Ca -0.01 -0.62 0.00 0.00 0.09 0.00 0.00 57.88 57.34 1b86 h LEU 536 Cb 1.15 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.67 1b86 h LEU 536 CO 0.09 1.28 0.00 0.35 0.09 0.00 0.00 178.44 180.25 1b86 n THR 537 N -4.10 1.13 0.21 0.22 -2.24 -0.86 -4.27 114.28 104.37 1b86 n THR 537 Ca -0.07 -0.87 0.08 0.00 -2.27 0.00 0.00 64.05 60.92 1b86 n THR 537 Cb 0.66 0.22 0.36 0.00 -2.10 0.00 0.00 70.33 69.47 1b86 n THR 537 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1b86 h SER 538 N 3.40 0.00 -0.40 3.42 4.64 -1.57 -3.05 113.55 119.98 1b86 h SER 538 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 1b86 h SER 538 Cb 1.01 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.07 1b86 h SER 538 CO 0.09 0.27 0.03 0.29 -0.87 0.00 0.00 176.83 176.65 1b86 n LYS 539 N -3.35 3.38 0.21 4.77 5.02 -1.26 -4.67 118.16 122.25 1b86 n LYS 539 Ca 0.01 -2.98 0.05 0.00 -2.02 0.00 0.00 58.31 53.36 1b86 n LYS 539 Cb 0.49 -1.99 0.46 0.00 -0.02 0.00 0.00 35.03 33.97 1b86 n LYS 539 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1b86 h TYR 540 N 2.33 0.00 0.00 2.13 -1.99 -1.82 -3.46 116.97 114.16 1b86 h TYR 540 Ca 0.05 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.78 1b86 h TYR 540 Cb 1.71 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.44 1b86 h TYR 540 CO 0.78 0.27 0.00 2.89 -0.00 0.00 0.00 178.16 182.09