#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b8h n PHE 400 N 0.00 0.42 1.44 0.00 3.72 -1.26 -4.59 117.46 117.19 3b8h n PHE 400 Ca 0.00 -0.62 0.14 0.00 -0.05 0.00 0.00 57.45 56.92 3b8h n PHE 400 Cb 0.00 -0.10 0.48 0.00 -0.94 0.00 0.00 39.48 38.92 3b8h n PHE 400 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3b8h n LEU 401 N -0.08 1.49 0.00 4.37 4.77 -1.26 -4.73 117.00 121.56 3b8h n LEU 401 Ca 0.11 -0.48 0.00 0.00 -0.03 0.00 0.00 56.01 55.61 3b8h n LEU 401 Cb 0.50 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 3b8h n LEU 401 CO 0.07 0.25 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 3b8h n GLY 402 N 1.21 -0.87 3.89 -0.72 0.00 -1.26 -4.78 105.19 102.66 3b8h n GLY 402 Ca 0.18 -1.17 -0.35 0.00 0.00 0.00 0.00 46.02 44.68 3b8h n GLY 402 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3b8h s ASP 403 N -4.00 6.41 0.00 1.61 1.01 -1.26 -5.01 116.67 115.43 3b8h s ASP 403 Ca 0.00 0.44 0.00 0.00 0.71 0.00 0.00 52.55 53.70 3b8h s ASP 403 Cb 0.00 -2.05 0.00 0.00 1.01 0.00 0.00 42.92 41.88 3b8h s ASP 403 CO 0.00 0.31 0.00 0.61 0.21 0.00 0.00 175.17 176.30 3b8h n GLY 404 N 1.32 0.17 3.95 0.21 0.00 -1.26 -4.93 105.19 104.66 3b8h n GLY 404 Ca -0.14 -1.32 -0.27 0.00 0.00 0.00 0.00 46.02 44.30 3b8h n GLY 404 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3b8h s GLY 405 N 0.00 1.75 0.24 -0.02 0.00 -1.26 -5.01 107.32 103.02 3b8h s GLY 405 Ca 0.00 -1.30 -0.31 0.00 0.00 0.00 0.00 44.72 43.11 3b8h s GLY 405 CO 0.00 -0.70 1.68 0.99 0.00 0.00 0.00 173.10 175.07 3b8h s ASP 406 N -4.73 6.36 0.01 1.64 -0.00 -1.26 -4.94 116.67 113.75 3b8h s ASP 406 Ca 0.67 2.91 -0.17 0.00 -0.00 0.00 0.00 52.55 55.96 3b8h s ASP 406 Cb -0.06 -2.61 -0.06 0.00 -0.00 0.00 0.00 42.92 40.19 3b8h s ASP 406 CO 0.48 -0.96 0.50 -0.69 -0.00 0.00 0.00 175.17 174.49 3b8h s VAL 407 N 0.74 4.94 0.13 -1.27 1.01 -1.26 -4.56 120.40 120.12 3b8h s VAL 407 Ca 0.71 1.03 -0.14 0.00 0.00 0.00 0.00 61.98 63.58 3b8h s VAL 407 Cb -0.49 -3.82 0.02 0.00 0.00 0.00 0.00 36.38 32.09 3b8h s VAL 407 CO 0.38 0.52 0.37 -0.94 0.00 0.00 0.00 175.10 175.43 3b8h s SER 408 N -0.74 -0.15 -0.07 3.32 1.04 -1.22 -5.00 113.70 110.87 3b8h s SER 408 Ca 0.27 -0.45 0.01 0.00 0.48 0.00 0.00 55.95 56.26 3b8h s SER 408 Cb -0.18 0.46 -0.03 0.00 0.10 0.00 0.00 66.02 66.38 3b8h s SER 408 CO 0.15 -0.87 -0.09 -0.36 0.98 0.00 0.00 173.24 173.05 3b8h s PHE 409 N -3.84 2.86 0.19 5.02 0.08 -1.26 -0.73 117.98 120.29 3b8h s PHE 409 Ca 0.06 -0.11 -0.14 0.00 0.12 0.00 0.00 56.93 56.86 3b8h s PHE 409 Cb 0.02 -1.71 0.01 0.00 -0.57 0.00 0.00 43.02 40.77 3b8h s PHE 409 CO -0.09 0.22 0.43 -1.54 -0.10 0.00 0.00 175.22 174.13 3b8h s SER 410 N -0.61 -0.13 0.56 1.36 1.04 -1.22 -4.97 113.70 109.73 3b8h s SER 410 Ca 0.09 -0.65 0.31 0.00 0.48 0.00 0.00 55.95 56.18 3b8h s SER 410 Cb -0.11 0.52 1.69 0.00 0.10 0.00 0.00 66.02 68.22 3b8h s SER 410 CO 0.02 -1.00 2.16 0.71 0.98 0.00 0.00 173.24 176.11 3b8h h THR 411 N 2.34 0.42 0.00 2.02 1.35 -1.94 0.12 112.91 117.22 3b8h h THR 411 Ca -0.30 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.24 3b8h h THR 411 Cb 1.25 1.22 0.00 0.00 -1.73 0.00 0.00 68.15 68.89 3b8h h THR 411 CO 0.41 0.06 0.00 0.03 -0.25 0.00 0.00 175.52 175.78 3b8h h ARG 412 N 0.00 0.00 0.00 4.72 3.08 -1.96 -3.41 114.38 116.81 3b8h h ARG 412 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3b8h h ARG 412 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.27 3b8h h ARG 412 CO 0.01 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.32 3b8h n GLY 413 N -0.13 2.64 3.67 0.04 0.00 0.43 -5.03 105.19 106.82 3b8h n GLY 413 Ca 0.01 -2.10 -0.42 0.00 0.00 0.00 0.00 46.02 43.51 3b8h n GLY 413 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3b8h s THR 414 N -2.24 3.67 0.20 2.61 2.01 -1.26 -3.41 115.64 117.22 3b8h s THR 414 Ca 0.00 0.95 -0.29 0.00 0.31 0.00 0.00 61.69 62.66 3b8h s THR 414 Cb 0.00 -3.61 -0.08 0.00 0.01 0.00 0.00 72.50 68.82 3b8h s THR 414 CO 0.00 -0.04 0.91 -1.10 -0.69 0.00 0.00 174.62 173.69 3b8h s GLN 415 N 3.17 4.77 -1.24 4.92 -1.52 0.09 -4.05 119.66 125.81 3b8h s GLN 415 Ca 0.67 1.41 -0.01 0.00 -1.95 0.00 0.00 55.36 55.48 3b8h s GLN 415 Cb -0.32 -3.30 0.00 0.00 -0.22 0.00 0.00 33.01 29.18 3b8h s GLN 415 CO 0.26 0.47 0.99 0.09 -0.25 0.00 0.00 175.29 176.86 3b8h n ASN 416 N 1.77 -2.50 -3.18 5.90 3.02 -1.26 -3.43 115.26 115.57 3b8h n ASN 416 Ca -0.02 -0.63 -0.22 0.00 -0.03 0.00 0.00 54.58 53.68 3b8h n ASN 416 Cb 0.48 -4.98 -0.06 0.00 -0.61 0.00 0.00 39.78 34.60 3b8h n ASN 416 CO 0.00 0.00 0.00 1.87 -2.62 0.00 0.00 177.26 176.51 3b8h n TRP 417 N -4.26 -1.19 -1.36 3.10 -0.00 -1.26 -4.69 117.44 107.78 3b8h n TRP 417 Ca -0.25 -3.09 -0.29 0.00 -0.00 0.00 0.00 57.50 53.87 3b8h n TRP 417 Cb 0.66 0.23 0.14 0.00 -0.00 0.00 0.00 31.31 32.34 3b8h n TRP 417 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 177.69 178.64 3b8h s THR 418 N -0.36 2.33 0.16 5.87 -4.23 -1.26 -4.89 115.64 113.27 3b8h s THR 418 Ca 0.34 0.11 -0.12 0.00 -1.18 0.00 0.00 61.69 60.83 3b8h s THR 418 Cb 0.11 -2.73 0.05 0.00 1.34 0.00 0.00 72.50 71.28 3b8h s THR 418 CO -0.15 -0.14 1.67 0.58 -0.54 0.00 0.00 174.62 176.04 3b8h h VAL 419 N -1.57 1.25 -0.66 2.29 2.07 -1.99 -2.59 116.25 115.05 3b8h h VAL 419 Ca -0.51 -0.88 0.06 0.00 0.82 0.00 0.00 66.70 66.19 3b8h h VAL 419 Cb 1.31 0.77 -0.06 0.00 -1.52 0.00 0.00 31.29 31.80 3b8h h VAL 419 CO 0.59 0.32 0.36 -0.33 0.02 0.00 0.00 177.57 178.53 3b8h h GLU 420 N 0.77 0.64 -0.78 1.57 4.39 -1.99 0.15 114.58 119.33 3b8h h GLU 420 Ca 0.17 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.83 3b8h h GLU 420 Cb 0.34 -0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 28.81 3b8h h GLU 420 CO 0.00 0.42 0.47 -0.09 -1.16 0.00 0.00 179.01 178.65 3b8h h ARG 421 N 0.66 1.07 -0.28 2.33 2.43 -1.88 -1.79 114.38 116.92 3b8h h ARG 421 Ca 0.30 -0.10 0.02 0.00 -0.81 0.00 0.00 59.98 59.38 3b8h h ARG 421 Cb 0.20 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 3b8h h ARG 421 CO -0.19 0.76 0.14 1.25 -1.51 0.00 0.00 179.97 180.42 3b8h h LEU 422 N 1.07 0.21 -1.18 3.80 5.85 -0.84 -0.50 115.31 123.73 3b8h h LEU 422 Ca 0.28 0.01 0.10 0.00 0.84 0.00 0.00 57.88 59.11 3b8h h LEU 422 Cb -0.03 -0.03 -0.07 0.00 0.37 0.00 0.00 40.66 40.90 3b8h h LEU 422 CO -0.05 0.16 0.58 -0.07 -0.34 0.00 0.00 178.44 178.72 3b8h h LEU 423 N 0.29 0.82 0.13 2.25 3.38 -0.60 0.25 115.31 121.82 3b8h h LEU 423 Ca 0.11 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 3b8h h LEU 423 Cb 0.03 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.64 3b8h h LEU 423 CO -0.08 0.48 -0.06 -0.61 0.09 0.00 0.00 178.44 178.26 3b8h h GLN 424 N 0.90 -0.17 -0.34 1.13 4.15 -0.70 -2.28 115.11 117.80 3b8h h GLN 424 Ca 0.42 0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.89 3b8h h GLN 424 Cb 0.41 0.04 -0.04 0.00 0.21 0.00 0.00 27.48 28.10 3b8h h GLN 424 CO -0.18 0.06 0.12 0.00 -1.93 0.00 0.00 178.83 176.90 3b8h h ALA 425 N 0.46 0.40 0.02 3.38 0.00 -0.20 -1.75 119.26 121.57 3b8h h ALA 425 Ca -0.02 0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.96 3b8h h ALA 425 Cb 0.31 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 3b8h h ALA 425 CO 0.03 -0.28 -0.19 1.25 0.00 0.00 0.00 179.25 180.06 3b8h h HIS 426 N 0.26 -0.51 -0.27 0.00 -0.00 -0.54 -1.28 115.15 112.81 3b8h h HIS 426 Ca 0.16 0.02 0.03 0.00 -0.00 0.00 0.00 60.37 60.57 3b8h h HIS 426 Cb 0.13 0.22 -0.03 0.00 -0.00 0.00 0.00 27.41 27.73 3b8h h HIS 426 CO -0.14 -0.28 0.07 -0.09 -0.00 0.00 0.00 177.93 177.49 3b8h h ARG 427 N -0.33 0.18 0.00 5.26 2.43 -1.18 -1.53 114.38 119.21 3b8h h ARG 427 Ca 0.05 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 3b8h h ARG 427 Cb 0.39 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.90 3b8h h ARG 427 CO -0.16 0.12 -0.06 1.96 -1.51 0.00 0.00 179.97 180.31 3b8h h GLN 428 N 0.18 0.00 0.02 0.20 4.20 -1.10 0.12 115.11 118.72 3b8h h GLN 428 Ca 0.12 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 58.57 3b8h h GLN 428 Cb 0.11 0.00 0.02 0.00 0.30 0.00 0.00 27.48 27.91 3b8h h GLN 428 CO -0.15 0.06 -1.05 -0.07 -0.67 0.00 0.00 178.83 176.96 3b8h h LEU 429 N 0.00 0.89 -0.76 1.46 3.38 -0.31 -3.14 115.31 116.82 3b8h h LEU 429 Ca -0.00 -0.75 -0.10 0.00 0.09 0.00 0.00 57.88 57.12 3b8h h LEU 429 Cb 0.29 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 3b8h h LEU 429 CO 0.01 1.53 -0.12 -0.33 0.09 0.00 0.00 178.44 179.62 3b8h h GLU 430 N 0.35 0.82 0.00 1.13 5.08 -0.37 -0.20 114.58 121.39 3b8h h GLU 430 Ca -0.14 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 3b8h h GLU 430 Cb 1.71 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.89 3b8h h GLU 430 CO 0.21 0.90 0.00 0.39 -1.00 0.00 0.00 179.01 179.50 3b8h n GLU 431 N -4.16 0.16 -0.23 2.33 1.02 0.32 -1.72 120.64 118.36 3b8h n GLU 431 Ca 0.01 0.49 0.06 0.00 -0.02 0.00 0.00 57.16 57.70 3b8h n GLU 431 Cb 0.38 -1.87 0.17 0.00 -0.02 0.00 0.00 31.44 30.10 3b8h n GLU 431 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3b8h n ARG 432 N -2.18 2.89 -1.38 3.49 1.74 -1.01 -4.97 116.66 115.22 3b8h n ARG 432 Ca 0.01 -2.20 0.00 0.00 -0.77 0.00 0.00 57.85 54.89 3b8h n ARG 432 Cb 0.16 -1.38 0.00 0.00 -1.02 0.00 0.00 32.46 30.21 3b8h n ARG 432 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3b8h n GLY 433 N 0.26 0.66 3.88 -0.13 0.00 -0.70 -4.99 105.19 104.17 3b8h n GLY 433 Ca 0.13 -0.74 -0.22 0.00 0.00 0.00 0.00 46.02 45.19 3b8h n GLY 433 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3b8h s TYR 434 N -2.00 3.26 -0.01 1.61 1.51 -0.12 -0.47 117.35 121.13 3b8h s TYR 434 Ca 0.00 -0.06 -0.01 0.00 -1.01 0.00 0.00 57.07 55.99 3b8h s TYR 434 Cb 0.00 -1.48 0.00 0.00 -0.11 0.00 0.00 41.96 40.37 3b8h s TYR 434 CO 0.00 0.49 0.03 0.54 -1.11 0.00 0.00 175.55 175.50 3b8h s VAL 435 N -2.03 -0.00 0.08 0.71 0.11 0.91 -4.03 120.40 116.15 3b8h s VAL 435 Ca 0.33 0.02 -0.31 0.00 -2.93 0.00 0.00 61.98 59.09 3b8h s VAL 435 Cb -0.09 -0.06 -0.06 0.00 -1.53 0.00 0.00 36.38 34.65 3b8h s VAL 435 CO 0.26 0.01 1.25 0.12 -3.33 0.00 0.00 175.10 173.41 3b8h s PHE 436 N 0.09 3.38 0.00 1.54 5.36 -1.26 -1.30 117.98 125.79 3b8h s PHE 436 Ca -0.01 1.20 0.00 0.00 -0.96 0.00 0.00 56.93 57.17 3b8h s PHE 436 Cb -0.01 -3.49 0.00 0.00 -0.34 0.00 0.00 43.02 39.17 3b8h s PHE 436 CO -0.00 -1.59 0.38 1.33 -1.46 0.00 0.00 175.22 173.88 3b8h n VAL 437 N 3.90 0.03 -0.80 3.12 0.24 -0.41 -4.40 118.33 120.02 3b8h n VAL 437 Ca 0.10 -0.38 0.00 0.00 -2.04 0.00 0.00 64.34 62.02 3b8h n VAL 437 Cb 0.45 1.25 0.00 0.00 -1.47 0.00 0.00 33.84 34.07 3b8h n VAL 437 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3b8h n GLY 438 N -0.02 0.11 3.68 7.63 0.00 -1.23 -4.53 105.19 110.84 3b8h n GLY 438 Ca 0.00 -1.72 -0.27 0.00 0.00 0.00 0.00 46.02 44.02 3b8h n GLY 438 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3b8h s TYR 439 N -1.96 2.91 -0.10 1.61 2.02 0.91 -0.41 117.35 122.33 3b8h s TYR 439 Ca 0.00 -0.10 -0.02 0.00 -0.37 0.00 0.00 57.07 56.58 3b8h s TYR 439 Cb 0.00 -1.43 0.04 0.00 -0.40 0.00 0.00 41.96 40.17 3b8h s TYR 439 CO 0.00 0.51 0.02 -1.58 -1.57 0.00 0.00 175.55 172.92 3b8h s HIS 440 N -1.62 0.66 -0.11 2.71 5.65 0.01 -0.44 115.29 122.16 3b8h s HIS 440 Ca 0.27 -0.29 -0.14 0.00 0.25 0.00 0.00 55.06 55.16 3b8h s HIS 440 Cb -0.10 -0.82 -0.05 0.00 -1.18 0.00 0.00 32.58 30.44 3b8h s HIS 440 CO 0.19 -0.39 0.32 0.20 -0.65 0.00 0.00 174.74 174.41 3b8h s GLY 441 N 1.98 2.29 0.33 1.59 0.00 -1.21 -0.98 107.32 111.32 3b8h s GLY 441 Ca 0.04 -0.39 -0.12 0.00 0.00 0.00 0.00 44.72 44.25 3b8h s GLY 441 CO -0.06 0.29 0.65 -0.37 0.00 0.00 0.00 173.10 173.61 3b8h n THR 442 N 2.93 0.00 -2.25 0.90 5.66 -0.99 -4.14 114.28 116.39 3b8h n THR 442 Ca -0.13 -0.88 -0.29 0.00 -3.05 0.00 0.00 64.05 59.70 3b8h n THR 442 Cb 0.52 0.84 0.01 0.00 -1.55 0.00 0.00 70.33 70.15 3b8h n THR 442 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 175.07 172.74 3b8h s PHE 443 N -3.25 3.52 0.17 1.09 -0.71 -1.26 -1.16 117.98 116.38 3b8h s PHE 443 Ca 0.14 0.99 -0.21 0.00 -1.04 0.00 0.00 56.93 56.81 3b8h s PHE 443 Cb -0.04 -2.59 0.08 0.00 -1.21 0.00 0.00 43.02 39.26 3b8h s PHE 443 CO 0.11 -0.59 1.62 -0.07 -1.34 0.00 0.00 175.22 174.94 3b8h h LEU 444 N -0.12 -0.86 -1.08 -1.99 3.38 -1.89 -1.15 115.31 111.61 3b8h h LEU 444 Ca -0.45 0.17 0.02 0.00 0.09 0.00 0.00 57.88 57.71 3b8h h LEU 444 Cb 1.21 0.43 -0.05 0.00 0.09 0.00 0.00 40.66 42.34 3b8h h LEU 444 CO 0.62 -0.28 0.62 -0.33 0.09 0.00 0.00 178.44 179.16 3b8h h GLU 445 N -0.20 1.20 -0.54 1.13 3.07 -1.94 -1.67 114.58 115.64 3b8h h GLU 445 Ca 0.18 -0.07 -0.04 0.00 -0.50 0.00 0.00 59.36 58.93 3b8h h GLU 445 Cb 0.49 -0.27 -0.02 0.00 -0.84 0.00 0.00 28.75 28.10 3b8h h GLU 445 CO -0.50 0.80 0.17 0.00 -1.40 0.00 0.00 179.01 178.08 3b8h h ALA 446 N 1.43 0.70 -0.33 3.43 0.00 -1.65 -1.54 119.26 121.30 3b8h h ALA 446 Ca 0.36 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 55.10 3b8h h ALA 446 Cb -0.08 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 3b8h h ALA 446 CO -0.09 0.36 0.17 0.00 0.00 0.00 0.00 179.25 179.69 3b8h h ALA 447 N 1.03 0.40 -0.66 0.00 0.00 -0.66 0.94 119.26 120.31 3b8h h ALA 447 Ca 0.17 0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.15 3b8h h ALA 447 Cb 0.27 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.95 3b8h h ALA 447 CO -0.01 -0.20 0.36 0.37 0.00 0.00 0.00 179.25 179.77 3b8h h GLN 448 N 0.35 0.65 -0.36 0.00 5.75 -1.11 -0.69 115.11 119.70 3b8h h GLN 448 Ca 0.14 -0.04 -0.03 0.00 -0.15 0.00 0.00 58.65 58.57 3b8h h GLN 448 Cb 0.04 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.43 3b8h h GLN 448 CO -0.09 0.43 0.11 1.03 -2.65 0.00 0.00 178.83 177.66 3b8h h SER 449 N 0.67 0.52 -0.10 -0.69 0.87 -0.68 -1.91 113.55 112.23 3b8h h SER 449 Ca 0.30 -0.21 -0.14 0.00 -1.23 0.00 0.00 61.79 60.51 3b8h h SER 449 Cb 0.20 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.01 3b8h h SER 449 CO -0.19 0.59 -0.41 0.40 -0.53 0.00 0.00 176.83 176.69 3b8h h ILE 450 N 0.43 1.30 0.00 2.23 2.04 -0.43 -2.66 117.51 120.41 3b8h h ILE 450 Ca 0.11 -1.59 -0.22 0.00 1.00 0.00 0.00 64.86 64.16 3b8h h ILE 450 Cb 0.26 1.54 -0.04 0.00 -0.74 0.00 0.00 36.82 37.85 3b8h h ILE 450 CO -0.00 0.51 -1.30 0.58 0.00 0.00 0.00 178.15 177.93 3b8h h VAL 451 N 0.52 1.04 -0.58 1.67 2.07 -1.14 -2.47 116.25 117.35 3b8h h VAL 451 Ca 0.04 -2.73 -0.41 0.00 0.82 0.00 0.00 66.70 64.43 3b8h h VAL 451 Cb 0.94 2.47 -0.29 0.00 -1.52 0.00 0.00 31.29 32.89 3b8h h VAL 451 CO 0.08 0.59 -0.46 0.49 0.02 0.00 0.00 177.57 178.29 3b8h n PHE 452 N -3.13 2.04 -0.10 1.57 3.01 -0.72 -4.60 117.46 115.54 3b8h n PHE 452 Ca -0.08 -2.09 0.00 0.00 1.01 0.00 0.00 57.45 56.29 3b8h n PHE 452 Cb 0.94 -0.47 0.00 0.00 -0.01 0.00 0.00 39.48 39.94 3b8h n PHE 452 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3b8h n GLY 453 N -0.87 0.10 0.00 1.37 0.00 -1.01 -4.93 105.19 99.84 3b8h n GLY 453 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.42 3b8h n GLY 453 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3b8h n GLY 454 N 0.00 -0.33 3.75 -0.02 0.00 -0.93 -4.93 105.19 102.73 3b8h n GLY 454 Ca 0.00 -1.54 -0.41 0.00 0.00 0.00 0.00 46.02 44.06 3b8h n GLY 454 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3b8h s VAL 455 N -3.02 2.21 -0.04 1.61 1.01 -1.25 -4.56 120.40 116.37 3b8h s VAL 455 Ca 0.00 0.18 -0.04 0.00 0.00 0.00 0.00 61.98 62.12 3b8h s VAL 455 Cb 0.00 -3.11 0.01 0.00 0.00 0.00 0.00 36.38 33.28 3b8h s VAL 455 CO 0.00 0.03 0.11 -0.13 0.00 0.00 0.00 175.10 175.11 3b8h s ARG 456 N -0.55 0.14 0.32 2.72 0.52 -1.26 -4.40 118.95 116.43 3b8h s ARG 456 Ca 0.62 0.13 -0.29 0.00 -0.52 0.00 0.00 55.73 55.67 3b8h s ARG 456 Cb -0.46 0.07 -0.12 0.00 0.52 0.00 0.00 34.95 34.95 3b8h s ARG 456 CO 0.48 -0.02 1.43 0.00 0.02 0.00 0.00 175.30 177.20 3b8h n ALA 457 N 2.97 1.78 -2.75 2.13 0.00 -1.26 -5.01 120.51 118.38 3b8h n ALA 457 Ca -0.13 0.37 -0.10 0.00 0.00 0.00 0.00 53.44 53.59 3b8h n ALA 457 Cb 0.59 -2.34 -0.07 0.00 0.00 0.00 0.00 19.45 17.63 3b8h n ALA 457 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 3b8h s ARG 458 N -1.33 1.20 0.39 0.00 1.70 -1.26 -5.15 118.95 114.49 3b8h s ARG 458 Ca 0.59 -1.19 -0.25 0.00 -0.47 0.00 0.00 55.73 54.41 3b8h s ARG 458 Cb -0.55 0.38 -0.09 0.00 -0.57 0.00 0.00 34.95 34.13 3b8h s ARG 458 CO 0.57 -0.44 1.09 0.45 -1.08 0.00 0.00 175.30 175.89 3b8h s SER 459 N -2.98 6.73 -0.09 -2.89 0.15 -1.26 -4.95 113.70 108.41 3b8h s SER 459 Ca 0.18 2.17 -0.15 0.00 0.70 0.00 0.00 55.95 58.85 3b8h s SER 459 Cb 0.03 -2.60 0.03 0.00 -1.71 0.00 0.00 66.02 61.77 3b8h s SER 459 CO 0.01 -0.52 0.38 0.00 1.20 0.00 0.00 173.24 174.31 3b8h s GLN 460 N -2.31 0.58 -0.96 5.44 -2.07 -1.26 -5.10 119.66 113.97 3b8h s GLN 460 Ca 0.56 0.25 -0.22 0.00 -1.82 0.00 0.00 55.36 54.14 3b8h s GLN 460 Cb -0.26 0.27 0.08 0.00 -1.09 0.00 0.00 33.01 32.01 3b8h s GLN 460 CO 0.33 -0.12 1.32 0.16 -1.32 0.00 0.00 175.29 175.65 3b8h s ASP 461 N -0.46 6.52 0.18 12.60 -4.77 -1.26 -4.88 116.67 124.60 3b8h s ASP 461 Ca -0.06 -1.59 -0.24 0.00 -3.30 0.00 0.00 52.55 47.36 3b8h s ASP 461 Cb -0.04 -2.51 0.05 0.00 -1.09 0.00 0.00 42.92 39.34 3b8h s ASP 461 CO 0.03 -1.37 0.89 -1.48 0.70 0.00 0.00 175.17 173.94 3b8h s LEU 462 N 4.20 -0.21 0.15 2.11 0.05 -1.26 -5.12 118.68 118.61 3b8h s LEU 462 Ca 0.40 -0.44 -0.33 0.00 0.05 0.00 0.00 54.13 53.81 3b8h s LEU 462 Cb -0.03 2.30 -0.13 0.00 -2.05 0.00 0.00 46.19 46.29 3b8h s LEU 462 CO -0.08 -1.01 1.68 -0.67 -0.55 0.00 0.00 176.35 175.72 3b8h n ASP 463 N -0.46 3.50 -0.42 1.48 -0.08 -1.26 -4.80 116.55 114.51 3b8h n ASP 463 Ca -0.06 1.06 0.36 0.00 -1.51 0.00 0.00 54.79 54.64 3b8h n ASP 463 Cb 0.60 -1.48 0.70 0.00 2.34 0.00 0.00 41.12 43.28 3b8h n ASP 463 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3b8h h ALA 464 N 6.74 3.01 0.00 -1.67 0.00 -2.00 0.11 119.26 125.46 3b8h h ALA 464 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3b8h h ALA 464 Cb 1.24 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.14 3b8h h ALA 464 CO 0.92 -1.46 0.00 0.44 0.00 0.00 0.00 179.25 179.15 3b8h n ILE 465 N -4.32 0.81 -0.60 0.00 -5.35 -1.26 -2.60 119.36 106.04 3b8h n ILE 465 Ca 0.31 0.17 0.08 0.00 -0.27 0.00 0.00 62.75 63.04 3b8h n ILE 465 Cb 1.35 -1.07 0.24 0.00 -1.74 0.00 0.00 39.64 38.42 3b8h n ILE 465 CO 0.00 0.00 0.00 0.79 -1.76 0.00 0.00 176.55 175.58 3b8h n TRP 466 N -2.15 0.88 -2.28 4.28 7.02 0.39 -3.97 117.44 121.60 3b8h n TRP 466 Ca 0.03 -0.67 -0.37 0.00 -1.02 0.00 0.00 57.50 55.47 3b8h n TRP 466 Cb 0.25 -0.19 -0.01 0.00 -2.42 0.00 0.00 31.31 28.94 3b8h n TRP 466 CO 0.00 0.00 0.00 -0.98 -2.02 0.00 0.00 177.69 174.69 3b8h s ARG 467 N -1.91 3.74 0.00 -0.99 1.70 -1.07 -4.95 118.95 115.48 3b8h s ARG 467 Ca 0.37 1.74 0.00 0.00 -0.47 0.00 0.00 55.73 57.36 3b8h s ARG 467 Cb 0.25 -2.37 0.00 0.00 -0.57 0.00 0.00 34.95 32.26 3b8h s ARG 467 CO 0.15 -0.56 0.00 0.41 -1.08 0.00 0.00 175.30 174.22 3b8h n GLY 468 N 0.40 -1.16 3.70 3.88 0.00 -1.26 -4.57 105.19 106.17 3b8h n GLY 468 Ca 0.08 -1.41 -0.37 0.00 0.00 0.00 0.00 46.02 44.31 3b8h n GLY 468 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3b8h s PHE 469 N -2.49 3.42 -0.24 1.61 5.36 0.35 -4.90 117.98 121.09 3b8h s PHE 469 Ca 0.00 0.65 -0.10 0.00 -0.96 0.00 0.00 56.93 56.52 3b8h s PHE 469 Cb 0.00 -2.47 -0.05 0.00 -0.34 0.00 0.00 43.02 40.16 3b8h s PHE 469 CO 0.00 0.10 0.14 0.71 -1.46 0.00 0.00 175.22 174.71 3b8h s TYR 470 N 0.92 3.26 0.28 10.12 1.51 -1.26 -0.87 117.35 131.31 3b8h s TYR 470 Ca 0.19 0.10 0.02 0.00 -1.01 0.00 0.00 57.07 56.37 3b8h s TYR 470 Cb -0.14 -2.27 -0.04 0.00 -0.11 0.00 0.00 41.96 39.40 3b8h s TYR 470 CO 0.07 -0.03 0.13 0.96 -1.11 0.00 0.00 175.55 175.57 3b8h s ILE 471 N 1.20 0.39 -0.04 2.71 -4.36 -0.58 -4.78 121.20 115.75 3b8h s ILE 471 Ca 0.07 -2.00 -0.02 0.00 -0.26 0.00 0.00 60.65 58.43 3b8h s ILE 471 Cb -0.14 -2.56 0.02 0.00 1.25 0.00 0.00 42.46 41.03 3b8h s ILE 471 CO 0.05 0.00 0.09 0.00 0.24 0.00 0.00 174.94 175.33 3b8h s ALA 472 N -3.71 -0.16 0.25 2.27 0.00 0.42 -0.25 121.76 120.58 3b8h s ALA 472 Ca 0.37 0.40 -0.06 0.00 0.00 0.00 0.00 51.96 52.67 3b8h s ALA 472 Cb 0.06 -0.27 0.30 0.00 0.00 0.00 0.00 23.12 23.22 3b8h s ALA 472 CO 0.15 -0.09 1.89 0.78 0.00 0.00 0.00 175.76 178.49 3b8h h GLY 473 N 6.70 1.36 -6.26 0.00 0.00 -1.80 0.26 103.07 103.33 3b8h h GLY 473 Ca -0.35 -0.45 -0.60 0.00 0.00 0.00 0.00 47.33 45.92 3b8h h GLY 473 CO 0.45 0.38 0.46 -0.35 0.00 0.00 0.00 176.54 177.48 3b8h s ASP 474 N -5.93 6.68 0.56 0.19 -1.08 -1.26 -4.64 116.67 111.19 3b8h s ASP 474 Ca -0.13 0.66 0.29 0.00 -0.52 0.00 0.00 52.55 52.86 3b8h s ASP 474 Cb 0.18 -2.43 1.67 0.00 -1.46 0.00 0.00 42.92 40.89 3b8h s ASP 474 CO 0.80 -0.68 2.18 1.55 0.52 0.00 0.00 175.17 179.54 3b8h h PRO 475 N 8.18 0.00 -0.63 4.34 0.13 -1.96 -2.27 132.00 139.78 3b8h h PRO 475 Ca -0.24 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.86 3b8h h PRO 475 Cb 1.09 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.19 3b8h h PRO 475 CO 0.91 0.05 0.25 0.00 -0.23 0.00 0.00 178.00 178.98 3b8h h ALA 476 N 1.95 1.24 -0.24 -0.56 0.00 -1.94 0.86 119.26 120.57 3b8h h ALA 476 Ca -0.00 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 3b8h h ALA 476 Cb 0.15 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 3b8h h ALA 476 CO 0.01 0.55 -0.17 1.25 0.00 0.00 0.00 179.25 180.89 3b8h h LEU 477 N 0.91 0.56 -1.15 0.00 5.85 -1.80 -3.07 115.31 116.62 3b8h h LEU 477 Ca 0.21 -0.44 -0.07 0.00 0.84 0.00 0.00 57.88 58.42 3b8h h LEU 477 Cb 0.18 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 3b8h h LEU 477 CO -0.02 0.89 -0.34 0.00 -0.34 0.00 0.00 178.44 178.63 3b8h h ALA 478 N 0.69 1.11 -0.99 1.25 0.00 -1.51 -3.08 119.26 116.73 3b8h h ALA 478 Ca 0.05 -0.31 0.10 0.00 0.00 0.00 0.00 54.91 54.74 3b8h h ALA 478 Cb 0.70 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.36 3b8h h ALA 478 CO 0.05 0.42 0.63 -0.92 0.00 0.00 0.00 179.25 179.43 3b8h h TYR 479 N 0.00 1.15 -0.00 0.00 5.03 -0.73 -1.94 116.97 120.48 3b8h h TYR 479 Ca -0.00 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.34 3b8h h TYR 479 Cb 0.77 -0.37 -0.00 0.00 1.55 0.00 0.00 36.73 38.68 3b8h h TYR 479 CO 0.00 0.52 0.00 0.78 -1.32 0.00 0.00 178.16 178.14 3b8h h GLY 480 N 1.06 0.00 -0.99 1.82 0.00 -1.59 -0.94 103.07 102.43 3b8h h GLY 480 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.79 3b8h h GLY 480 CO -0.23 0.00 -0.45 -1.72 0.00 0.00 0.00 176.54 174.14 3b8h n TYR 481 N -3.10 0.00 -1.82 5.60 4.01 -0.74 -4.72 117.16 116.39 3b8h n TYR 481 Ca -0.03 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.29 3b8h n TYR 481 Cb 0.07 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.10 3b8h n TYR 481 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3b8h n ALA 482 N -0.00 5.79 -3.62 -0.72 0.00 -0.36 -3.15 120.51 118.44 3b8h n ALA 482 Ca 0.09 -3.94 -0.04 0.00 0.00 0.00 0.00 53.44 49.55 3b8h n ALA 482 Cb 0.46 -3.38 -0.01 0.00 0.00 0.00 0.00 19.45 16.52 3b8h n ALA 482 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 3b8h s GLN 483 N 2.33 0.75 0.60 0.00 -2.07 -1.22 0.36 119.66 120.41 3b8h s GLN 483 Ca 0.48 -0.36 -0.19 0.00 -1.82 0.00 0.00 55.36 53.47 3b8h s GLN 483 Cb 0.14 0.29 -0.03 0.00 -1.09 0.00 0.00 33.01 32.32 3b8h s GLN 483 CO -0.07 -0.34 1.24 -0.51 -1.32 0.00 0.00 175.29 174.29 3b8h s ASP 484 N -2.67 5.07 -0.01 12.60 1.01 -0.48 -4.12 116.67 128.07 3b8h s ASP 484 Ca 0.10 2.47 0.16 0.00 0.71 0.00 0.00 52.55 55.99 3b8h s ASP 484 Cb 0.00 -2.61 -0.21 0.00 1.01 0.00 0.00 42.92 41.12 3b8h s ASP 484 CO -0.04 -1.68 0.55 0.00 0.21 0.00 0.00 175.17 174.21 3b8h n GLN 485 N -1.60 1.24 -4.55 8.23 1.13 -1.26 -4.85 117.38 115.71 3b8h n GLN 485 Ca 0.14 -0.06 -0.21 0.00 -1.94 0.00 0.00 57.00 54.92 3b8h n GLN 485 Cb 0.49 -1.31 -0.15 0.00 0.11 0.00 0.00 30.24 29.38 3b8h n GLN 485 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 3b8h s GLU 486 N -2.76 1.07 0.93 -1.09 0.41 -1.26 -5.15 118.70 110.84 3b8h s GLU 486 Ca 0.01 -0.43 -0.11 0.00 -0.41 0.00 0.00 54.97 54.02 3b8h s GLU 486 Cb 0.11 -1.01 0.15 0.00 -1.78 0.00 0.00 34.13 31.60 3b8h s GLU 486 CO 0.66 0.24 1.09 -1.25 -0.49 0.00 0.00 175.26 175.51 3b8h s PRO 487 N -0.18 1.00 0.49 0.39 0.04 -1.26 -4.86 135.00 130.62 3b8h s PRO 487 Ca 0.03 0.94 -0.08 0.00 0.04 0.00 0.00 61.00 61.93 3b8h s PRO 487 Cb -0.06 -1.77 0.12 0.00 0.04 0.00 0.00 34.50 32.83 3b8h s PRO 487 CO -0.00 -2.45 0.45 -0.25 0.04 0.00 0.00 177.00 174.78 3b8h n ASP 488 N -4.05 -1.39 0.19 6.66 8.00 -0.65 -4.78 116.55 120.53 3b8h n ASP 488 Ca 0.07 -0.78 0.14 0.00 0.71 0.00 0.00 54.79 54.93 3b8h n ASP 488 Cb 0.55 -0.41 0.59 0.00 -0.02 0.00 0.00 41.12 41.83 3b8h n ASP 488 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3b8h h ALA 489 N -2.29 1.00 -0.00 2.24 0.00 -1.97 -2.02 119.26 116.22 3b8h h ALA 489 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3b8h h ALA 489 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3b8h h ALA 489 CO 0.11 0.00 -0.03 -2.13 0.00 0.00 0.00 179.25 177.20 3b8h n ARG 490 N -2.54 0.10 -2.60 0.00 0.63 -1.26 -4.93 116.66 106.07 3b8h n ARG 490 Ca 0.01 -0.01 -0.12 0.00 -0.92 0.00 0.00 57.85 56.82 3b8h n ARG 490 Cb 0.23 -1.50 0.02 0.00 0.45 0.00 0.00 32.46 31.66 3b8h n ARG 490 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3b8h n GLY 491 N 1.46 0.04 3.30 5.14 0.00 -0.76 -5.03 105.19 109.33 3b8h n GLY 491 Ca 0.08 -0.32 -0.21 0.00 0.00 0.00 0.00 46.02 45.57 3b8h n GLY 491 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3b8h s ARG 492 N -5.06 1.19 -0.21 1.61 0.52 -1.26 -4.81 118.95 110.93 3b8h s ARG 492 Ca 0.14 -1.34 -0.04 0.00 -0.52 0.00 0.00 55.73 53.96 3b8h s ARG 492 Cb -0.06 -1.21 -0.01 0.00 0.52 0.00 0.00 34.95 34.18 3b8h s ARG 492 CO 0.17 0.25 -0.04 0.42 0.02 0.00 0.00 175.30 176.12 3b8h s ILE 493 N -2.02 3.51 0.27 1.52 -1.09 -1.26 -1.63 121.20 120.49 3b8h s ILE 493 Ca 0.13 -0.45 -0.20 0.00 -2.23 0.00 0.00 60.65 57.90 3b8h s ILE 493 Cb -0.06 -2.59 -0.09 0.00 -1.58 0.00 0.00 42.46 38.15 3b8h s ILE 493 CO 0.05 0.43 0.78 -0.13 -1.23 0.00 0.00 174.94 174.84 3b8h s ARG 494 N 1.30 4.27 0.61 2.79 0.52 -1.26 -4.91 118.95 122.27 3b8h s ARG 494 Ca 0.04 0.93 -0.17 0.00 -0.52 0.00 0.00 55.73 56.01 3b8h s ARG 494 Cb -0.14 -2.76 -0.02 0.00 0.52 0.00 0.00 34.95 32.55 3b8h s ARG 494 CO -0.01 0.31 1.12 0.54 0.02 0.00 0.00 175.30 177.28 3b8h s ASN 495 N -1.77 5.32 0.00 0.23 4.22 -1.26 -1.38 114.94 120.30 3b8h s ASN 495 Ca 0.47 2.09 0.00 0.00 -2.14 0.00 0.00 52.86 53.28 3b8h s ASN 495 Cb -0.16 -2.57 0.00 0.00 1.28 0.00 0.00 41.25 39.81 3b8h s ASN 495 CO 0.20 -1.49 0.00 0.61 -2.04 0.00 0.00 177.10 174.39 3b8h n GLY 496 N -0.20 3.21 3.02 0.45 0.00 0.16 -4.61 105.19 107.21 3b8h n GLY 496 Ca 0.11 -1.77 -0.10 0.00 0.00 0.00 0.00 46.02 44.26 3b8h n GLY 496 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3b8h s ALA 497 N -2.60 -0.05 -0.14 4.61 0.00 -0.31 -4.57 121.76 118.71 3b8h s ALA 497 Ca 0.00 -0.40 -0.12 0.00 0.00 0.00 0.00 51.96 51.44 3b8h s ALA 497 Cb 0.00 0.12 -0.05 0.00 0.00 0.00 0.00 23.12 23.20 3b8h s ALA 497 CO 0.00 -0.17 0.27 -0.51 0.00 0.00 0.00 175.76 175.35 3b8h s LEU 498 N -1.35 4.30 -0.01 0.00 1.43 -1.26 -2.33 118.68 119.44 3b8h s LEU 498 Ca -0.15 0.54 0.06 0.00 -1.03 0.00 0.00 54.13 53.56 3b8h s LEU 498 Cb -0.09 -2.33 -0.02 0.00 0.03 0.00 0.00 46.19 43.78 3b8h s LEU 498 CO -0.00 0.19 -0.21 -0.76 0.23 0.00 0.00 176.35 175.80 3b8h s LEU 499 N 0.00 2.40 -0.07 1.79 1.43 -0.15 -1.36 118.68 122.72 3b8h s LEU 499 Ca 0.16 -0.38 -0.17 0.00 -1.03 0.00 0.00 54.13 52.71 3b8h s LEU 499 Cb -0.13 -1.44 -0.05 0.00 0.03 0.00 0.00 46.19 44.60 3b8h s LEU 499 CO 0.05 0.31 0.46 -0.13 0.23 0.00 0.00 176.35 177.27 3b8h s ARG 500 N -0.86 4.22 -0.19 1.70 0.52 0.15 -0.81 118.95 123.67 3b8h s ARG 500 Ca 0.11 0.46 -0.03 0.00 -0.52 0.00 0.00 55.73 55.75 3b8h s ARG 500 Cb -0.10 -3.36 -0.01 0.00 0.52 0.00 0.00 34.95 32.00 3b8h s ARG 500 CO 0.01 0.34 -0.07 0.08 0.02 0.00 0.00 175.30 175.68 3b8h s VAL 501 N 0.02 3.28 0.01 3.52 1.01 0.45 -1.64 120.40 127.06 3b8h s VAL 501 Ca 0.25 -0.54 0.06 0.00 0.00 0.00 0.00 61.98 61.76 3b8h s VAL 501 Cb -0.16 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.73 3b8h s VAL 501 CO 0.12 0.46 -0.17 -0.31 0.00 0.00 0.00 175.10 175.19 3b8h s TYR 502 N 1.15 2.60 0.19 5.22 1.51 0.22 -1.28 117.35 126.95 3b8h s TYR 502 Ca 0.02 -0.23 0.08 0.00 -1.01 0.00 0.00 57.07 55.93 3b8h s TYR 502 Cb -0.14 -1.51 -0.04 0.00 -0.11 0.00 0.00 41.96 40.15 3b8h s TYR 502 CO -0.02 0.23 -0.17 0.14 -1.11 0.00 0.00 175.55 174.63 3b8h s VAL 503 N -0.87 1.83 0.27 0.71 -7.23 -0.42 -0.40 120.40 114.29 3b8h s VAL 503 Ca 0.14 -2.07 -0.30 0.00 -1.81 0.00 0.00 61.98 57.94 3b8h s VAL 503 Cb -0.11 -1.95 -0.11 0.00 0.56 0.00 0.00 36.38 34.78 3b8h s VAL 503 CO 0.04 -0.44 1.51 -2.84 -0.31 0.00 0.00 175.10 173.06 3b8h s PRO 504 N -3.19 4.20 0.54 4.82 0.02 -1.26 -0.06 135.00 140.06 3b8h s PRO 504 Ca 0.19 2.44 0.26 0.00 0.02 0.00 0.00 61.00 63.91 3b8h s PRO 504 Cb -0.04 -3.06 1.43 0.00 0.02 0.00 0.00 34.50 32.85 3b8h s PRO 504 CO 0.07 -0.52 1.99 0.00 -0.33 0.00 0.00 177.00 178.21 3b8h h ARG 505 N 4.87 0.00 0.00 5.54 3.08 -1.08 0.88 114.38 127.67 3b8h h ARG 505 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.58 3b8h h ARG 505 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.27 3b8h h ARG 505 CO 0.78 0.00 0.21 0.66 -1.07 0.00 0.00 179.97 180.55 3b8h h SER 506 N 0.00 0.00 0.88 7.04 4.64 -1.90 -0.38 113.55 123.83 3b8h h SER 506 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 3b8h h SER 506 Cb 1.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 3b8h h SER 506 CO -0.00 0.00 -0.90 -1.54 -0.87 0.00 0.00 176.83 173.52 3b8h n SER 507 N -2.70 0.77 -0.34 4.97 3.41 0.30 -4.40 113.62 115.64 3b8h n SER 507 Ca -0.02 0.20 0.17 0.00 -0.26 0.00 0.00 58.87 58.96 3b8h n SER 507 Cb 0.25 0.41 0.37 0.00 -0.26 0.00 0.00 64.21 64.99 3b8h n SER 507 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3b8h h LEU 508 N 0.00 0.64 -1.61 1.04 3.38 -1.19 0.20 115.31 117.77 3b8h h LEU 508 Ca 0.00 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3b8h h LEU 508 Cb 0.89 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.68 3b8h h LEU 508 CO 0.00 0.10 0.10 -0.65 0.09 0.00 0.00 178.44 178.08 3b8h h PRO 509 N 0.57 0.00 -0.01 1.13 0.11 -1.78 -0.03 132.00 131.99 3b8h h PRO 509 Ca 0.63 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.74 3b8h h PRO 509 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3b8h h PRO 509 CO -0.48 0.00 -0.06 0.41 -0.21 0.00 0.00 178.00 177.66 3b8h n GLY 510 N -1.25 -0.10 3.70 -0.55 0.00 0.71 -4.88 105.19 102.81 3b8h n GLY 510 Ca -0.02 -0.45 -0.39 0.00 0.00 0.00 0.00 46.02 45.17 3b8h n GLY 510 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3b8h s PHE 511 N -2.12 3.47 0.29 1.61 0.40 -0.03 -0.84 117.98 120.77 3b8h s PHE 511 Ca 0.34 0.95 0.03 0.00 -0.60 0.00 0.00 56.93 57.65 3b8h s PHE 511 Cb 0.21 -2.68 -0.06 0.00 0.51 0.00 0.00 43.02 41.00 3b8h s PHE 511 CO 0.38 0.03 0.07 0.71 0.70 0.00 0.00 175.22 177.11 3b8h s TYR 512 N 1.12 1.76 0.01 0.36 1.51 -0.76 -2.83 117.35 118.52 3b8h s TYR 512 Ca 0.29 -1.05 -0.10 0.00 -1.01 0.00 0.00 57.07 55.20 3b8h s TYR 512 Cb -0.16 -1.10 0.01 0.00 -0.11 0.00 0.00 41.96 40.60 3b8h s TYR 512 CO 0.12 -0.14 0.20 -0.98 -1.11 0.00 0.00 175.55 173.64 3b8h s ARG 513 N -3.95 0.59 0.09 -0.62 1.70 -0.30 -1.03 118.95 115.42 3b8h s ARG 513 Ca 0.37 -0.41 -0.07 0.00 -0.47 0.00 0.00 55.73 55.15 3b8h s ARG 513 Cb 0.08 0.25 -0.01 0.00 -0.57 0.00 0.00 34.95 34.70 3b8h s ARG 513 CO 0.14 -0.16 0.16 -0.08 -1.08 0.00 0.00 175.30 174.28 3b8h s THR 514 N -1.68 0.15 -0.65 4.99 -1.32 -0.24 -4.53 115.64 112.36 3b8h s THR 514 Ca -0.12 -1.31 0.24 0.00 -1.21 0.00 0.00 61.69 59.29 3b8h s THR 514 Cb -0.05 -1.42 0.03 0.00 -1.51 0.00 0.00 72.50 69.55 3b8h s THR 514 CO 0.01 -0.68 1.29 -1.20 -2.21 0.00 0.00 174.62 171.83 3b8h n SER 515 N -0.04 0.68 -4.78 8.08 7.64 -1.26 -4.31 113.62 119.63 3b8h n SER 515 Ca -0.14 0.08 -0.36 0.00 1.01 0.00 0.00 58.87 59.47 3b8h n SER 515 Cb 0.62 0.22 -0.01 0.00 -1.01 0.00 0.00 64.21 64.03 3b8h n SER 515 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3b8h s LEU 516 N -4.16 3.88 -0.01 -3.43 1.43 -1.26 -4.64 118.68 110.49 3b8h s LEU 516 Ca 0.06 2.15 -0.30 0.00 -1.03 0.00 0.00 54.13 55.01 3b8h s LEU 516 Cb 0.14 -4.44 -0.05 0.00 0.03 0.00 0.00 46.19 41.86 3b8h s LEU 516 CO 0.73 -0.97 1.36 -0.89 0.23 0.00 0.00 176.35 176.81 3b8h s THR 517 N -1.74 3.81 1.11 5.49 2.01 -1.26 -3.92 115.64 121.15 3b8h s THR 517 Ca 0.68 1.19 -0.17 0.00 0.31 0.00 0.00 61.69 63.69 3b8h s THR 517 Cb -0.23 -3.76 0.24 0.00 0.01 0.00 0.00 72.50 68.76 3b8h s THR 517 CO 0.28 -0.00 1.14 -0.76 -0.69 0.00 0.00 174.62 174.58 3b8h s LEU 518 N 2.37 1.23 -1.23 4.42 1.43 -0.96 -4.08 118.68 121.86 3b8h s LEU 518 Ca 0.62 0.72 -0.02 0.00 -1.03 0.00 0.00 54.13 54.42 3b8h s LEU 518 Cb -0.30 -2.63 0.01 0.00 0.03 0.00 0.00 46.19 43.31 3b8h s LEU 518 CO 0.26 -3.63 0.14 0.00 0.23 0.00 0.00 176.35 173.35 3b8h n ALA 519 N -4.44 -0.83 -2.66 4.21 0.00 -1.26 -4.90 120.51 110.63 3b8h n ALA 519 Ca 0.11 0.12 -0.19 0.00 0.00 0.00 0.00 53.44 53.48 3b8h n ALA 519 Cb 0.59 -2.02 -0.14 0.00 0.00 0.00 0.00 19.45 17.88 3b8h n ALA 519 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3b8h s ALA 520 N -2.77 1.05 0.53 0.00 0.00 -1.26 -5.02 121.76 114.30 3b8h s ALA 520 Ca 0.10 -0.73 0.23 0.00 0.00 0.00 0.00 51.96 51.55 3b8h s ALA 520 Cb -0.05 -0.18 1.38 0.00 0.00 0.00 0.00 23.12 24.27 3b8h s ALA 520 CO 0.12 0.20 2.06 -1.35 0.00 0.00 0.00 175.76 176.79 3b8h h PRO 521 N 5.14 0.00 0.00 0.00 0.11 -1.92 -0.09 132.00 135.24 3b8h h PRO 521 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3b8h h PRO 521 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3b8h h PRO 521 CO 0.45 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.63 3b8h n GLU 522 N -4.38 0.75 -0.00 1.05 4.71 -1.26 -3.03 120.64 118.48 3b8h n GLU 522 Ca 0.05 0.01 0.02 0.00 -0.01 0.00 0.00 57.16 57.23 3b8h n GLU 522 Cb 0.41 -1.50 -0.03 0.00 -1.01 0.00 0.00 31.44 29.31 3b8h n GLU 522 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3b8h n ALA 523 N -1.10 2.49 -0.11 0.62 0.00 -0.07 -4.71 120.51 117.63 3b8h n ALA 523 Ca 0.19 -0.13 -0.06 0.00 0.00 0.00 0.00 53.44 53.45 3b8h n ALA 523 Cb 0.15 -0.17 0.02 0.00 0.00 0.00 0.00 19.45 19.45 3b8h n ALA 523 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3b8h h ALA 524 N 0.59 0.41 -0.21 0.00 0.00 -1.40 -2.42 119.26 116.23 3b8h h ALA 524 Ca 0.00 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3b8h h ALA 524 Cb 0.14 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3b8h h ALA 524 CO 0.00 -0.28 0.13 0.78 0.00 0.00 0.00 179.25 179.88 3b8h h GLY 525 N 0.26 0.31 0.99 0.00 0.00 -1.84 -2.01 103.07 100.77 3b8h h GLY 525 Ca 0.17 -0.13 -0.02 0.00 0.00 0.00 0.00 47.33 47.34 3b8h h GLY 525 CO -0.18 0.13 0.28 -2.09 0.00 0.00 0.00 176.54 174.67 3b8h h GLU 526 N 0.26 0.85 -0.72 4.80 4.57 -1.83 -0.85 114.58 121.66 3b8h h GLU 526 Ca 0.08 -0.13 -0.02 0.00 -1.18 0.00 0.00 59.36 58.11 3b8h h GLU 526 Cb 0.02 -0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 28.43 3b8h h GLU 526 CO -0.01 0.70 0.38 0.28 -1.18 0.00 0.00 179.01 179.17 3b8h h VAL 527 N 0.81 1.23 -0.51 0.32 2.07 -1.34 -1.30 116.25 117.52 3b8h h VAL 527 Ca 0.20 -0.59 -0.06 0.00 0.82 0.00 0.00 66.70 67.08 3b8h h VAL 527 Cb 0.13 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.17 3b8h h VAL 527 CO -0.02 0.25 0.08 -0.33 0.02 0.00 0.00 177.57 177.57 3b8h h GLU 528 N 1.00 0.80 -0.23 1.57 5.08 -1.02 -0.17 114.58 121.60 3b8h h GLU 528 Ca 0.25 -0.18 -0.05 0.00 -1.00 0.00 0.00 59.36 58.39 3b8h h GLU 528 Cb 0.06 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 3b8h h GLU 528 CO -0.04 0.75 -0.06 -0.09 -1.00 0.00 0.00 179.01 178.57 3b8h h ARG 529 N 0.76 0.36 0.15 2.33 2.43 -0.62 -0.70 114.38 119.09 3b8h h ARG 529 Ca 0.16 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 3b8h h ARG 529 Cb 0.35 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 3b8h h ARG 529 CO 0.01 0.44 -0.07 -0.07 -1.51 0.00 0.00 179.97 178.77 3b8h h LEU 530 N 0.35 -0.17 -0.29 3.80 3.38 -0.27 -3.32 115.31 118.80 3b8h h LEU 530 Ca 0.07 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.67 3b8h h LEU 530 Cb 0.33 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3b8h h LEU 530 CO 0.01 0.40 0.00 2.30 0.09 0.00 0.00 178.44 181.25 3b8h n ILE 531 N -4.90 0.67 -0.76 1.22 -5.35 -0.17 -4.34 119.36 105.72 3b8h n ILE 531 Ca -0.08 -0.04 0.00 0.00 -0.27 0.00 0.00 62.75 62.37 3b8h n ILE 531 Cb 0.27 -0.83 0.00 0.00 -1.74 0.00 0.00 39.64 37.34 3b8h n ILE 531 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3b8h n GLY 532 N 0.74 0.59 3.46 3.28 0.00 -0.29 -5.01 105.19 107.96 3b8h n GLY 532 Ca 0.04 -0.26 -0.11 0.00 0.00 0.00 0.00 46.02 45.70 3b8h n GLY 532 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3b8h s HIS 533 N -2.00 -0.47 0.54 1.61 0.00 -1.07 -5.03 115.29 108.86 3b8h s HIS 533 Ca 0.00 0.27 -0.22 0.00 -3.00 0.00 0.00 55.06 52.11 3b8h s HIS 533 Cb 0.00 0.56 -0.05 0.00 -4.00 0.00 0.00 32.58 29.09 3b8h s HIS 533 CO 0.00 -0.79 1.32 -2.14 -1.00 0.00 0.00 174.74 172.12 3b8h s PRO 534 N -3.60 3.22 0.93 -0.38 0.02 -1.26 -4.52 135.00 129.40 3b8h s PRO 534 Ca 0.03 2.14 -0.11 0.00 0.02 0.00 0.00 61.00 63.08 3b8h s PRO 534 Cb -0.01 -2.26 0.11 0.00 0.02 0.00 0.00 34.50 32.36 3b8h s PRO 534 CO -0.11 -1.10 0.91 1.28 -0.33 0.00 0.00 177.00 177.65 3b8h n LEU 535 N -0.99 2.15 -4.90 -5.54 4.77 -1.26 -4.75 117.00 106.49 3b8h n LEU 535 Ca 0.10 0.39 -0.28 0.00 -0.03 0.00 0.00 56.01 56.18 3b8h n LEU 535 Cb 0.46 -1.39 0.08 0.00 -2.33 0.00 0.00 43.42 40.24 3b8h n LEU 535 CO 0.51 -2.64 0.75 -2.16 -1.33 0.00 0.00 177.39 172.52 3b8h s PRO 536 N -4.31 2.11 0.32 3.23 0.04 -1.25 -4.96 135.00 130.17 3b8h s PRO 536 Ca 0.64 0.07 -0.29 0.00 0.04 0.00 0.00 61.00 61.45 3b8h s PRO 536 Cb -0.22 -2.01 -0.12 0.00 0.04 0.00 0.00 34.50 32.19 3b8h s PRO 536 CO 0.61 -1.46 1.52 1.28 0.04 0.00 0.00 177.00 179.00 3b8h n LEU 537 N -3.20 4.31 0.00 -3.56 4.77 -1.26 -4.99 117.00 113.07 3b8h n LEU 537 Ca 0.08 1.18 0.00 0.00 -0.03 0.00 0.00 56.01 57.23 3b8h n LEU 537 Cb 0.60 -1.58 0.00 0.00 -2.33 0.00 0.00 43.42 40.12 3b8h n LEU 537 CO 0.56 0.04 0.00 0.54 -1.33 0.00 0.00 177.39 177.20 3b8h n ARG 538 N 1.50 0.00 -1.53 3.23 3.00 -1.26 -4.05 116.66 117.55 3b8h n ARG 538 Ca 0.06 0.00 -0.28 0.00 -0.01 0.00 0.00 57.85 57.62 3b8h n ARG 538 Cb 0.37 0.00 -0.05 0.00 0.00 0.00 0.00 32.46 32.78 3b8h n ARG 538 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 3b8h n LEU 539 N 0.00 6.57 -3.92 0.55 4.77 -1.26 -2.80 117.00 120.91 3b8h n LEU 539 Ca 0.00 -4.14 -0.09 0.00 -0.03 0.00 0.00 56.01 51.76 3b8h n LEU 539 Cb 0.00 -1.22 -0.05 0.00 -2.33 0.00 0.00 43.42 39.83 3b8h n LEU 539 CO 0.00 1.73 0.22 1.51 -1.33 0.00 0.00 177.39 179.52 3b8h s ASP 540 N 0.21 -0.14 0.09 -1.43 -4.77 -1.26 -4.70 116.67 104.67 3b8h s ASP 540 Ca 0.58 -0.78 0.02 0.00 -3.30 0.00 0.00 52.55 49.07 3b8h s ASP 540 Cb 0.39 0.59 -0.04 0.00 -1.09 0.00 0.00 42.92 42.77 3b8h s ASP 540 CO -0.24 -1.12 -0.07 0.00 0.70 0.00 0.00 175.17 174.44 3b8h s ALA 541 N -3.97 0.95 -0.04 2.11 0.00 -0.02 -1.97 121.76 118.82 3b8h s ALA 541 Ca 0.17 -1.29 0.00 0.00 0.00 0.00 0.00 51.96 50.84 3b8h s ALA 541 Cb -0.01 0.15 0.03 0.00 0.00 0.00 0.00 23.12 23.28 3b8h s ALA 541 CO 0.05 -0.21 -0.01 -1.50 0.00 0.00 0.00 175.76 174.09 3b8h s ILE 542 N -3.39 0.31 -0.16 0.00 1.10 -0.93 -1.82 121.20 116.32 3b8h s ILE 542 Ca 0.10 0.02 -0.00 0.00 -0.51 0.00 0.00 60.65 60.26 3b8h s ILE 542 Cb 0.04 -0.39 -0.00 0.00 0.15 0.00 0.00 42.46 42.25 3b8h s ILE 542 CO -0.04 0.18 -0.14 -0.89 -2.11 0.00 0.00 174.94 171.94 3b8h s THR 543 N 1.10 2.78 0.27 4.00 2.01 -0.20 -0.79 115.64 124.81 3b8h s THR 543 Ca -0.09 -0.73 -0.21 0.00 0.31 0.00 0.00 61.69 60.97 3b8h s THR 543 Cb -0.14 -2.18 0.04 0.00 0.01 0.00 0.00 72.50 70.23 3b8h s THR 543 CO -0.01 0.51 0.80 -0.83 -0.69 0.00 0.00 174.62 174.40 3b8h s GLY 544 N 0.80 -0.03 0.12 4.40 0.00 -0.82 -1.08 107.32 110.71 3b8h s GLY 544 Ca -0.05 -0.29 -0.32 0.00 0.00 0.00 0.00 44.72 44.05 3b8h s GLY 544 CO 0.00 0.03 1.77 -1.05 0.00 0.00 0.00 173.10 173.85 3b8h n PRO 545 N -0.49 2.58 0.10 2.90 -0.02 -1.25 -1.06 135.00 137.75 3b8h n PRO 545 Ca -0.05 0.94 0.09 0.00 -2.02 0.00 0.00 63.50 62.45 3b8h n PRO 545 Cb 0.60 -2.79 0.41 0.00 -0.02 0.00 0.00 33.50 31.69 3b8h n PRO 545 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3b8h n ALA 546 N 4.98 1.34 -3.57 3.55 0.00 -0.58 -2.26 120.51 123.97 3b8h n ALA 546 Ca 0.18 0.09 -0.05 0.00 0.00 0.00 0.00 53.44 53.65 3b8h n ALA 546 Cb 0.34 -1.27 -0.02 0.00 0.00 0.00 0.00 19.45 18.50 3b8h n ALA 546 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 3b8h s GLU 547 N -3.29 0.46 -0.04 0.00 -1.05 -1.26 -4.74 118.70 108.78 3b8h s GLU 547 Ca 0.02 -0.17 -0.34 0.00 -0.15 0.00 0.00 54.97 54.33 3b8h s GLU 547 Cb 0.07 0.21 -0.12 0.00 -0.44 0.00 0.00 34.13 33.85 3b8h s GLU 547 CO 0.24 -0.20 1.85 -1.91 0.95 0.00 0.00 175.26 176.18 3b8h n GLU 548 N -0.14 2.25 -0.19 -4.83 0.00 -1.26 0.35 120.64 116.82 3b8h n GLU 548 Ca -0.02 0.82 0.00 0.00 0.00 0.00 0.00 57.16 57.96 3b8h n GLU 548 Cb 0.59 -2.67 0.00 0.00 0.00 0.00 0.00 31.44 29.36 3b8h n GLU 548 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3b8h n GLY 549 N 4.28 2.38 3.92 8.31 0.00 -1.26 -5.01 105.19 117.81 3b8h n GLY 549 Ca 0.21 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.97 3b8h n GLY 549 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3b8h s GLY 550 N -1.98 1.66 0.95 -0.02 0.00 0.16 -5.08 107.32 103.01 3b8h s GLY 550 Ca 0.00 -0.84 -0.12 0.00 0.00 0.00 0.00 44.72 43.76 3b8h s GLY 550 CO 0.00 -0.46 1.10 0.50 0.00 0.00 0.00 173.10 174.24 3b8h s ARG 551 N -5.21 0.84 0.31 2.90 0.52 -1.26 -4.56 118.95 112.49 3b8h s ARG 551 Ca 0.59 0.50 -0.25 0.00 -0.52 0.00 0.00 55.73 56.05 3b8h s ARG 551 Cb -0.11 -1.79 -0.10 0.00 0.52 0.00 0.00 34.95 33.48 3b8h s ARG 551 CO 0.45 -2.45 0.91 -0.51 0.02 0.00 0.00 175.30 173.72 3b8h s LEU 552 N -6.27 4.34 0.14 2.53 1.43 -1.26 -1.53 118.68 118.06 3b8h s LEU 552 Ca 0.64 1.78 0.07 0.00 -1.03 0.00 0.00 54.13 55.59 3b8h s LEU 552 Cb -0.17 -3.95 -0.04 0.00 0.03 0.00 0.00 46.19 42.06 3b8h s LEU 552 CO 0.56 -0.05 -0.16 -1.83 0.23 0.00 0.00 176.35 175.10 3b8h s GLU 553 N -2.04 1.12 -0.06 1.70 -1.05 -0.22 -4.37 118.70 113.78 3b8h s GLU 553 Ca 0.49 -1.31 0.05 0.00 -0.15 0.00 0.00 54.97 54.06 3b8h s GLU 553 Cb -0.18 -1.06 -0.01 0.00 -0.44 0.00 0.00 34.13 32.44 3b8h s GLU 553 CO 0.23 0.21 -0.23 0.99 0.95 0.00 0.00 175.26 177.41 3b8h s THR 554 N -2.13 1.91 -0.32 1.83 2.01 0.66 -1.94 115.64 117.65 3b8h s THR 554 Ca 0.12 -0.98 -0.05 0.00 0.31 0.00 0.00 61.69 61.09 3b8h s THR 554 Cb -0.05 -1.62 0.04 0.00 0.01 0.00 0.00 72.50 70.87 3b8h s THR 554 CO 0.04 0.53 0.07 -0.63 -0.69 0.00 0.00 174.62 173.95 3b8h s ILE 555 N -0.04 3.62 -0.21 1.82 1.01 0.03 -1.53 121.20 125.90 3b8h s ILE 555 Ca -0.06 -1.12 -0.23 0.00 0.00 0.00 0.00 60.65 59.24 3b8h s ILE 555 Cb -0.14 -3.02 -0.01 0.00 0.01 0.00 0.00 42.46 39.29 3b8h s ILE 555 CO 0.04 -0.12 0.76 -0.76 0.00 0.00 0.00 174.94 174.86 3b8h s LEU 556 N 1.38 4.12 0.43 2.97 1.43 -0.05 -2.18 118.68 126.79 3b8h s LEU 556 Ca -0.02 0.99 -0.24 0.00 -1.03 0.00 0.00 54.13 53.83 3b8h s LEU 556 Cb -0.19 -3.09 -0.10 0.00 0.03 0.00 0.00 46.19 42.84 3b8h s LEU 556 CO 0.02 -0.41 1.11 0.61 0.23 0.00 0.00 176.35 177.91 3b8h n GLY 557 N 3.73 0.08 0.24 -3.19 0.00 -0.83 -0.49 105.19 104.72 3b8h n GLY 557 Ca 0.03 0.14 0.02 0.00 0.00 0.00 0.00 46.02 46.21 3b8h n GLY 557 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3b8h h TRP 558 N 1.67 0.20 -0.79 1.61 -0.00 -1.71 0.47 115.95 117.40 3b8h h TRP 558 Ca -0.46 0.04 0.12 0.00 -0.00 0.00 0.00 58.89 58.58 3b8h h TRP 558 Cb 1.32 0.01 -0.08 0.00 -0.00 0.00 0.00 29.16 30.41 3b8h h TRP 558 CO 0.45 -0.05 0.41 -1.35 -0.00 0.00 0.00 178.44 177.90 3b8h h PRO 559 N 0.26 0.62 -0.32 0.49 0.11 -1.85 -1.27 132.00 130.03 3b8h h PRO 559 Ca 0.34 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 66.28 3b8h h PRO 559 Cb 0.52 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.48 3b8h h PRO 559 CO -0.43 0.41 -0.29 1.25 -0.21 0.00 0.00 178.00 178.73 3b8h h LEU 560 N 0.64 0.81 -1.86 2.35 5.85 -0.61 -3.18 115.31 119.31 3b8h h LEU 560 Ca 0.41 -0.46 0.01 0.00 0.84 0.00 0.00 57.88 58.68 3b8h h LEU 560 Cb 0.49 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 3b8h h LEU 560 CO -0.31 1.10 0.12 0.00 -0.34 0.00 0.00 178.44 179.01 3b8h h ALA 561 N 0.73 1.94 -0.00 1.25 0.00 0.55 -1.59 119.26 122.14 3b8h h ALA 561 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3b8h h ALA 561 Cb 0.86 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3b8h h ALA 561 CO 0.07 0.04 -0.01 0.39 0.00 0.00 0.00 179.25 179.74 3b8h n GLU 562 N -4.51 0.96 -0.25 0.00 1.02 -0.55 -2.61 120.64 114.70 3b8h n GLU 562 Ca 0.00 -0.14 0.08 0.00 -0.02 0.00 0.00 57.16 57.08 3b8h n GLU 562 Cb 0.12 -1.50 0.21 0.00 -0.02 0.00 0.00 31.44 30.26 3b8h n GLU 562 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3b8h n ARG 563 N -0.90 2.85 -1.76 3.49 5.12 -0.60 -4.88 116.66 119.97 3b8h n ARG 563 Ca 0.21 -2.26 -0.30 0.00 -1.93 0.00 0.00 57.85 53.57 3b8h n ARG 563 Cb 0.18 -1.38 0.07 0.00 -1.16 0.00 0.00 32.46 30.16 3b8h n ARG 563 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3b8h s THR 564 N -1.04 3.23 -0.11 0.55 -4.23 -1.07 -4.44 115.64 108.53 3b8h s THR 564 Ca 0.32 0.40 0.02 0.00 -1.18 0.00 0.00 61.69 61.25 3b8h s THR 564 Cb 0.17 -3.30 0.01 0.00 1.34 0.00 0.00 72.50 70.72 3b8h s THR 564 CO 0.21 -0.52 -0.19 -0.69 -0.54 0.00 0.00 174.62 172.89 3b8h s VAL 565 N -3.30 1.73 -0.13 2.29 1.01 0.47 -4.84 120.40 117.62 3b8h s VAL 565 Ca 0.59 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.79 3b8h s VAL 565 Cb -0.12 -1.54 -0.00 0.00 0.00 0.00 0.00 36.38 34.72 3b8h s VAL 565 CO 0.52 0.49 -0.18 -0.69 0.00 0.00 0.00 175.10 175.24 3b8h s VAL 566 N 0.77 2.50 0.18 2.92 1.01 -1.26 -0.61 120.40 125.90 3b8h s VAL 566 Ca -0.10 -0.84 0.09 0.00 0.00 0.00 0.00 61.98 61.12 3b8h s VAL 566 Cb -0.16 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.16 3b8h s VAL 566 CO 0.01 0.53 -0.18 0.27 0.00 0.00 0.00 175.10 175.73 3b8h s ILE 567 N 0.60 1.87 0.74 2.22 -4.36 -0.65 -4.61 121.20 117.01 3b8h s ILE 567 Ca -0.10 -1.99 -0.15 0.00 -0.26 0.00 0.00 60.65 58.15 3b8h s ILE 567 Cb -0.16 -1.91 0.04 0.00 1.25 0.00 0.00 42.46 41.68 3b8h s ILE 567 CO 0.03 -0.35 1.22 -2.84 0.24 0.00 0.00 174.94 173.24 3b8h s PRO 568 N -2.95 2.07 0.32 0.37 0.02 -1.26 0.31 135.00 133.88 3b8h s PRO 568 Ca 0.18 1.79 -0.02 0.00 0.02 0.00 0.00 61.00 62.97 3b8h s PRO 568 Cb -0.05 -1.82 -0.04 0.00 0.02 0.00 0.00 34.50 32.61 3b8h s PRO 568 CO 0.07 -1.90 0.56 0.45 -0.33 0.00 0.00 177.00 175.85 3b8h s SER 569 N -1.99 6.36 0.00 2.53 0.15 -0.46 -4.48 113.70 115.81 3b8h s SER 569 Ca 0.75 0.59 0.28 0.00 0.70 0.00 0.00 55.95 58.27 3b8h s SER 569 Cb -0.30 -2.09 1.05 0.00 -1.71 0.00 0.00 66.02 62.97 3b8h s SER 569 CO 0.46 -0.26 1.74 0.00 1.20 0.00 0.00 173.24 176.38 3b8h n ALA 570 N -1.40 2.81 -2.63 5.45 0.00 -1.26 -4.78 120.51 118.69 3b8h n ALA 570 Ca -0.03 -0.37 -0.42 0.00 0.00 0.00 0.00 53.44 52.62 3b8h n ALA 570 Cb 0.55 -1.22 -0.03 0.00 0.00 0.00 0.00 19.45 18.74 3b8h n ALA 570 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3b8h s ILE 571 N -2.31 4.71 0.47 0.00 1.01 -1.26 -4.80 121.20 119.01 3b8h s ILE 571 Ca 0.31 1.56 -0.11 0.00 0.00 0.00 0.00 60.65 62.41 3b8h s ILE 571 Cb 0.20 -4.24 -0.06 0.00 0.01 0.00 0.00 42.46 38.37 3b8h s ILE 571 CO 0.44 -0.26 0.84 -2.84 0.00 0.00 0.00 174.94 173.12 3b8h s PRO 572 N 3.16 3.74 0.48 2.79 0.02 -1.26 -4.51 135.00 139.42 3b8h s PRO 572 Ca 0.38 0.54 -0.00 0.00 0.02 0.00 0.00 61.00 61.94 3b8h s PRO 572 Cb -0.14 -2.30 0.00 0.00 0.02 0.00 0.00 34.50 32.08 3b8h s PRO 572 CO 0.11 -0.18 0.71 0.95 -0.33 0.00 0.00 177.00 178.26 3b8h s THR 573 N -2.59 3.79 -0.40 0.99 -4.23 -1.26 -5.01 115.64 106.94 3b8h s THR 573 Ca 0.52 -0.46 -0.07 0.00 -1.18 0.00 0.00 61.69 60.50 3b8h s THR 573 Cb -0.10 -3.42 0.08 0.00 1.34 0.00 0.00 72.50 70.40 3b8h s THR 573 CO 0.37 -0.31 0.21 -0.62 -0.54 0.00 0.00 174.62 173.73 3b8h s ASP 574 N -4.25 5.49 0.40 3.99 -1.08 -1.26 -4.95 116.67 115.01 3b8h s ASP 574 Ca 0.50 -1.51 0.09 0.00 -0.52 0.00 0.00 52.55 51.11 3b8h s ASP 574 Cb -0.10 -1.93 0.87 0.00 -1.46 0.00 0.00 42.92 40.30 3b8h s ASP 574 CO 0.39 -0.49 1.99 1.55 0.52 0.00 0.00 175.17 179.13 3b8h h PRO 575 N 8.30 0.57 -0.25 4.34 0.13 -1.97 -1.55 132.00 141.58 3b8h h PRO 575 Ca -0.21 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 3b8h h PRO 575 Cb 1.08 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.08 3b8h h PRO 575 CO 0.71 0.38 0.00 0.54 -0.23 0.00 0.00 178.00 179.40 3b8h n ARG 576 N -4.47 1.97 -2.74 0.86 1.74 -1.26 -4.31 116.66 108.44 3b8h n ARG 576 Ca 0.08 -1.46 -0.10 0.00 -0.77 0.00 0.00 57.85 55.61 3b8h n ARG 576 Cb 0.23 -1.42 0.05 0.00 -1.02 0.00 0.00 32.46 30.30 3b8h n ARG 576 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3b8h n ASN 577 N 0.69 0.23 -4.75 0.55 5.15 -0.61 -5.12 115.26 111.40 3b8h n ASN 577 Ca 0.17 -2.75 -0.41 0.00 -0.60 0.00 0.00 54.58 50.99 3b8h n ASN 577 Cb 0.41 0.03 -0.02 0.00 -0.53 0.00 0.00 39.78 39.66 3b8h n ASN 577 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3b8h s VAL 578 N -1.93 2.71 0.00 3.44 1.01 -1.07 -2.19 120.40 122.37 3b8h s VAL 578 Ca 0.27 0.62 0.00 0.00 0.00 0.00 0.00 61.98 62.87 3b8h s VAL 578 Cb 0.42 -3.40 0.00 0.00 0.00 0.00 0.00 36.38 33.40 3b8h s VAL 578 CO -0.02 0.11 0.00 0.61 0.00 0.00 0.00 175.10 175.80 3b8h n GLY 579 N 1.86 2.74 3.73 4.51 0.00 -1.26 -5.05 105.19 111.71 3b8h n GLY 579 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 3b8h n GLY 579 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3b8h s GLY 580 N -2.46 1.63 0.36 -0.02 0.00 -0.93 -5.05 107.32 100.86 3b8h s GLY 580 Ca 0.00 -0.00 -0.06 0.00 0.00 0.00 0.00 44.72 44.66 3b8h s GLY 580 CO 0.00 0.46 0.66 0.99 0.00 0.00 0.00 173.10 175.20 3b8h s ASP 581 N -3.43 6.42 0.04 1.64 1.01 -1.26 -4.88 116.67 116.21 3b8h s ASP 581 Ca 0.63 0.85 -0.31 0.00 0.71 0.00 0.00 52.55 54.43 3b8h s ASP 581 Cb -0.18 -2.20 -0.07 0.00 1.01 0.00 0.00 42.92 41.48 3b8h s ASP 581 CO 0.57 -0.34 1.55 -0.22 0.21 0.00 0.00 175.17 176.94 3b8h s LEU 582 N -3.93 4.35 -0.29 1.23 2.96 -1.26 -4.98 118.68 116.75 3b8h s LEU 582 Ca 0.46 2.34 -0.25 0.00 -0.22 0.00 0.00 54.13 56.46 3b8h s LEU 582 Cb -0.10 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.03 3b8h s LEU 582 CO 0.34 -0.81 0.87 -0.62 -1.32 0.00 0.00 176.35 174.80 3b8h s ASP 583 N 2.14 6.78 0.54 3.68 2.15 -1.26 -4.93 116.67 125.77 3b8h s ASP 583 Ca 0.70 0.88 0.32 0.00 0.43 0.00 0.00 52.55 54.87 3b8h s ASP 583 Cb -0.36 -2.45 1.49 0.00 -0.30 0.00 0.00 42.92 41.29 3b8h s ASP 583 CO 0.30 -0.64 1.88 1.55 -0.17 0.00 0.00 175.17 178.09 3b8h h PRO 584 N 7.96 0.00 0.00 4.34 0.13 -1.97 0.11 132.00 142.56 3b8h h PRO 584 Ca -0.23 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 3b8h h PRO 584 Cb 1.09 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 3b8h h PRO 584 CO 0.91 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 179.35 3b8h h SER 585 N 0.00 0.00 0.06 1.44 4.64 -2.03 -2.39 113.55 115.27 3b8h h SER 585 Ca 0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.76 3b8h h SER 585 Cb 1.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.84 3b8h h SER 585 CO -0.01 0.00 -0.01 -1.54 -0.87 0.00 0.00 176.83 174.40 3b8h n SER 586 N -2.58 0.38 -4.60 4.97 3.41 0.37 -4.70 113.62 110.87 3b8h n SER 586 Ca 0.03 -1.02 -0.41 0.00 -0.26 0.00 0.00 58.87 57.21 3b8h n SER 586 Cb 0.35 -0.02 -0.06 0.00 -0.26 0.00 0.00 64.21 64.21 3b8h n SER 586 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3b8h s ILE 587 N -2.08 4.93 0.21 -1.33 1.01 -0.90 -4.58 121.20 118.45 3b8h s ILE 587 Ca 0.43 0.88 -0.32 0.00 0.00 0.00 0.00 60.65 61.63 3b8h s ILE 587 Cb 0.21 -4.01 -0.12 0.00 0.01 0.00 0.00 42.46 38.55 3b8h s ILE 587 CO 0.38 -0.15 1.68 -2.65 0.00 0.00 0.00 174.94 174.20 3b8h n PRO 588 N 5.90 2.66 -0.31 2.79 -0.02 -1.26 -4.87 135.00 139.90 3b8h n PRO 588 Ca -0.01 0.96 0.17 0.00 -2.02 0.00 0.00 63.50 62.60 3b8h n PRO 588 Cb 0.49 -2.79 0.42 0.00 -0.02 0.00 0.00 33.50 31.61 3b8h n PRO 588 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3b8h h ASP 589 N 6.40 0.59 0.55 2.55 3.32 -1.96 -0.56 116.42 127.32 3b8h h ASP 589 Ca -0.44 0.08 -0.08 0.00 0.02 0.00 0.00 57.03 56.60 3b8h h ASP 589 Cb 1.21 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.72 3b8h h ASP 589 CO 0.93 0.20 -0.40 0.11 -1.72 0.00 0.00 179.24 178.36 3b8h h LYS 590 N 0.57 0.00 0.01 3.56 1.57 -2.00 -1.65 116.57 118.63 3b8h h LYS 590 Ca 0.55 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 59.09 3b8h h LYS 590 Cb 1.12 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.44 3b8h h LYS 590 CO -0.30 0.40 -0.99 1.49 -0.57 0.00 0.00 179.45 179.48 3b8h h GLU 591 N 0.00 0.48 -0.32 3.15 4.81 -1.49 -3.19 114.58 118.02 3b8h h GLU 591 Ca -0.00 -0.53 -0.03 0.00 -0.13 0.00 0.00 59.36 58.67 3b8h h GLU 591 Cb 0.78 0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.30 3b8h h GLU 591 CO 0.05 1.17 0.09 0.37 -0.73 0.00 0.00 179.01 179.96 3b8h h GLN 592 N 0.27 0.46 0.00 1.92 5.75 -1.04 -2.49 115.11 119.97 3b8h h GLN 592 Ca -0.10 -0.07 -0.05 0.00 -0.15 0.00 0.00 58.65 58.29 3b8h h GLN 592 Cb 1.63 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 30.09 3b8h h GLN 592 CO 0.18 0.42 -0.23 0.00 -2.65 0.00 0.00 178.83 176.55 3b8h h ALA 593 N 1.64 1.17 -0.39 3.38 0.00 -1.30 -2.77 119.26 121.00 3b8h h ALA 593 Ca 0.11 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3b8h h ALA 593 Cb 0.17 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3b8h h ALA 593 CO -0.01 0.29 0.00 0.44 0.00 0.00 0.00 179.25 179.97 3b8h n ILE 594 N -3.62 2.29 -1.21 0.00 -5.35 -0.95 -4.61 119.36 105.90 3b8h n ILE 594 Ca -0.01 -1.63 0.07 0.00 -0.27 0.00 0.00 62.75 60.91 3b8h n ILE 594 Cb 0.36 -0.17 0.19 0.00 -1.74 0.00 0.00 39.64 38.28 3b8h n ILE 594 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 3b8h n SER 595 N 0.01 2.58 -4.77 7.28 7.64 -1.05 -4.97 113.62 120.34 3b8h n SER 595 Ca 0.23 -3.34 -0.36 0.00 1.01 0.00 0.00 58.87 56.42 3b8h n SER 595 Cb 0.94 -0.51 -0.00 0.00 -1.01 0.00 0.00 64.21 63.64 3b8h n SER 595 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3b8h s ALA 596 N -2.99 2.76 0.07 -0.43 0.00 -1.26 -5.02 121.76 114.89 3b8h s ALA 596 Ca 0.37 0.85 0.01 0.00 0.00 0.00 0.00 51.96 53.19 3b8h s ALA 596 Cb 0.33 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 20.05 3b8h s ALA 596 CO 0.02 -0.74 0.19 -0.51 0.00 0.00 0.00 175.76 174.72 3b8h s LEU 597 N -3.61 4.24 0.61 0.00 1.43 -1.26 -4.86 118.68 115.23 3b8h s LEU 597 Ca 0.71 0.20 -0.18 0.00 -1.03 0.00 0.00 54.13 53.83 3b8h s LEU 597 Cb -0.25 -2.85 -0.03 0.00 0.03 0.00 0.00 46.19 43.09 3b8h s LEU 597 CO 0.29 0.16 1.19 -2.16 0.23 0.00 0.00 176.35 176.06 3b8h s PRO 598 N -2.56 2.89 -0.16 1.29 0.04 -1.26 -4.97 135.00 130.27 3b8h s PRO 598 Ca 0.34 1.76 -0.29 0.00 0.04 0.00 0.00 61.00 62.84 3b8h s PRO 598 Cb -0.13 -1.93 -0.01 0.00 0.04 0.00 0.00 34.50 32.48 3b8h s PRO 598 CO 0.27 -1.25 1.20 0.34 0.04 0.00 0.00 177.00 177.59 3b8h s ASP 599 N -1.75 7.00 0.29 6.66 2.15 -1.26 -5.02 116.67 124.74 3b8h s ASP 599 Ca 0.76 1.63 -0.08 0.00 0.43 0.00 0.00 52.55 55.29 3b8h s ASP 599 Cb -0.29 -2.54 -0.06 0.00 -0.30 0.00 0.00 42.92 39.73 3b8h s ASP 599 CO 0.35 -0.71 0.59 -0.31 -0.17 0.00 0.00 175.17 174.92 3b8h s TYR 600 N 3.22 3.46 0.07 -5.34 2.02 -1.26 -5.05 117.35 114.46 3b8h s TYR 600 Ca 0.52 0.80 -0.30 0.00 -0.37 0.00 0.00 57.07 57.72 3b8h s TYR 600 Cb -0.20 -2.22 -0.05 0.00 -0.40 0.00 0.00 41.96 39.08 3b8h s TYR 600 CO 0.14 0.15 1.07 0.00 -1.57 0.00 0.00 175.55 175.34 3b8h s ALA 601 N -2.05 3.29 -1.78 3.71 0.00 -1.13 -4.78 121.76 119.02 3b8h s ALA 601 Ca 0.46 0.70 0.18 0.00 0.00 0.00 0.00 51.96 53.31 3b8h s ALA 601 Cb -0.11 -3.37 0.39 0.00 0.00 0.00 0.00 23.12 20.04 3b8h s ALA 601 CO 0.27 -0.26 1.32 -1.13 0.00 0.00 0.00 175.76 175.96 3b8h n SER 602 N 3.43 3.22 -4.09 0.00 3.41 -1.26 -1.15 113.62 117.18 3b8h n SER 602 Ca 0.06 -1.93 -0.15 0.00 -0.26 0.00 0.00 58.87 56.59 3b8h n SER 602 Cb 0.48 -0.26 -0.12 0.00 -0.26 0.00 0.00 64.21 64.05 3b8h n SER 602 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3b8h s GLN 603 N -1.17 0.63 0.63 4.33 -1.52 -1.26 -4.90 119.66 116.40 3b8h s GLN 603 Ca 0.33 -0.75 -0.19 0.00 -1.95 0.00 0.00 55.36 52.80 3b8h s GLN 603 Cb 0.19 -0.50 -0.02 0.00 -0.22 0.00 0.00 33.01 32.45 3b8h s GLN 603 CO 0.25 0.11 1.31 -2.14 -0.25 0.00 0.00 175.29 174.57 3b8h s PRO 604 N -1.43 2.67 0.00 2.91 0.02 -1.26 -5.04 135.00 132.86 3b8h s PRO 604 Ca -0.06 2.10 0.17 0.00 0.02 0.00 0.00 61.00 63.23 3b8h s PRO 604 Cb -0.09 -1.93 1.00 0.00 0.02 0.00 0.00 34.50 33.51 3b8h s PRO 604 CO 0.01 -1.52 1.41 0.41 -0.33 0.00 0.00 177.00 176.98