#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 0.21 0.91 0.00 3.72 -1.26 -4.66 117.46 116.38 3b8h n PHE 400 Ca 0.00 -0.61 0.11 0.00 -0.05 0.00 0.00 57.45 56.90 3b8h n PHE 400 Cb 0.00 -0.08 0.08 0.00 -0.94 0.00 0.00 39.48 38.53 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 -0.37 0.69 0.00 4.37 4.77 -1.26 -4.71 117.00 120.49 3b8h n LEU 401 Ca 0.07 -0.17 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 3b8h n LEU 401 Cb 0.41 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 3b8h n LEU 401 CO 0.04 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 176.86 3b8h n GLY 402 N 1.47 -0.81 3.71 -0.72 0.00 -1.26 -4.73 105.19 102.85 3b8h n GLY 402 Ca 0.04 -1.42 -0.33 0.00 0.00 0.00 0.00 46.02 44.31 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 5.27 0.00 1.61 -0.00 -1.26 -5.04 116.67 113.25 3b8h s ASP 403 Ca 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 52.55 52.59 3b8h s ASP 403 Cb 0.00 -1.42 0.00 0.00 -0.00 0.00 0.00 42.92 41.50 3b8h s ASP 403 CO 0.00 0.28 0.00 0.61 -0.00 0.00 0.00 175.17 176.06 3b8h n GLY 404 N 1.36 0.92 3.66 0.21 0.00 -1.26 -4.97 105.19 105.11 3b8h n GLY 404 Ca -0.14 -1.94 -0.30 0.00 0.00 0.00 0.00 46.02 43.64 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 1.64 0.22 -0.02 0.00 -1.26 -4.98 107.32 102.91 3b8h s GLY 405 Ca 0.00 -1.13 -0.30 0.00 0.00 0.00 0.00 44.72 43.30 3b8h s GLY 405 CO 0.00 -0.21 1.28 0.99 0.00 0.00 0.00 173.10 175.16 3b8h s ASP 406 N -4.22 6.94 -0.13 1.64 -0.00 -1.26 -4.95 116.67 114.69 3b8h s ASP 406 Ca 0.73 2.40 -0.20 0.00 -0.00 0.00 0.00 52.55 55.48 3b8h s ASP 406 Cb -0.06 -2.61 -0.04 0.00 -0.00 0.00 0.00 42.92 40.21 3b8h s ASP 406 CO 0.55 -0.48 0.57 -0.69 -0.00 0.00 0.00 175.17 175.13 3b8h s VAL 407 N -0.14 5.10 0.10 -1.27 1.01 -1.26 -4.48 120.40 119.46 3b8h s VAL 407 Ca 0.54 1.13 -0.00 0.00 0.00 0.00 0.00 61.98 63.65 3b8h s VAL 407 Cb -0.36 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 3b8h s VAL 407 CO 0.40 0.24 0.00 -0.94 0.00 0.00 0.00 175.10 174.80 3b8h s SER 408 N 0.86 0.57 -0.17 3.32 1.04 -1.19 -4.97 113.70 113.16 3b8h s SER 408 Ca 0.29 -1.10 -0.04 0.00 0.48 0.00 0.00 55.95 55.59 3b8h s SER 408 Cb -0.16 0.22 -0.02 0.00 0.10 0.00 0.00 66.02 66.15 3b8h s SER 408 CO 0.12 -0.63 -0.04 -0.36 0.98 0.00 0.00 173.24 173.31 3b8h s PHE 409 N -3.91 3.00 0.01 5.02 0.08 -1.26 -0.52 117.98 120.40 3b8h s PHE 409 Ca 0.16 -0.45 -0.02 0.00 0.12 0.00 0.00 56.93 56.75 3b8h s PHE 409 Cb 0.07 -2.00 -0.01 0.00 -0.57 0.00 0.00 43.02 40.51 3b8h s PHE 409 CO -0.03 -0.17 0.01 0.45 -0.10 0.00 0.00 175.22 175.38 3b8h s SER 410 N 0.66 0.18 0.54 1.36 0.15 -1.20 -4.97 113.70 110.42 3b8h s SER 410 Ca -0.02 -0.40 0.23 0.00 0.70 0.00 0.00 55.95 56.45 3b8h s SER 410 Cb -0.14 0.12 1.42 0.00 -1.71 0.00 0.00 66.02 65.71 3b8h s SER 410 CO 0.02 -0.30 2.09 0.71 1.20 0.00 0.00 173.24 176.96 3b8h h THR 411 N 4.59 0.77 0.00 6.45 1.35 -1.92 0.49 112.91 124.64 3b8h h THR 411 Ca -0.31 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.55 3b8h h THR 411 Cb 1.21 0.86 0.00 0.00 -1.73 0.00 0.00 68.15 68.49 3b8h h THR 411 CO 0.41 0.00 0.00 0.54 -0.25 0.00 0.00 175.52 176.22 3b8h n ARG 412 N -4.29 0.15 0.00 4.72 1.74 -1.26 -4.48 116.66 113.25 3b8h n ARG 412 Ca 0.03 0.13 0.00 0.00 -0.77 0.00 0.00 57.85 57.24 3b8h n ARG 412 Cb 0.34 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.28 3b8h n ARG 412 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3b8h n GLY 413 N 0.46 3.27 3.68 -0.13 0.00 0.17 -5.03 105.19 107.61 3b8h n GLY 413 Ca 0.07 -1.94 -0.42 0.00 0.00 0.00 0.00 46.02 43.73 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 -2.83 3.24 0.16 2.61 2.01 -1.26 -3.25 115.64 116.32 3b8h s THR 414 Ca 0.00 0.56 -0.29 0.00 0.31 0.00 0.00 61.69 62.26 3b8h s THR 414 Cb 0.00 -3.36 -0.07 0.00 0.01 0.00 0.00 72.50 69.08 3b8h s THR 414 CO 0.00 -0.02 0.93 -1.10 -0.69 0.00 0.00 174.62 173.74 3b8h s GLN 415 N 3.15 4.74 -1.42 4.92 -1.52 0.32 -3.84 119.66 126.01 3b8h s GLN 415 Ca 0.74 1.42 -0.07 0.00 -1.95 0.00 0.00 55.36 55.50 3b8h s GLN 415 Cb -0.38 -3.33 0.01 0.00 -0.22 0.00 0.00 33.01 29.09 3b8h s GLN 415 CO 0.32 0.35 0.98 0.09 -0.25 0.00 0.00 175.29 176.78 3b8h n ASN 416 N 2.23 -6.29 -3.68 5.90 3.02 -1.26 -3.20 115.26 111.98 3b8h n ASN 416 Ca -0.00 -0.45 -0.30 0.00 -0.03 0.00 0.00 54.58 53.81 3b8h n ASN 416 Cb 0.48 -4.98 -0.13 0.00 -0.61 0.00 0.00 39.78 34.54 3b8h n ASN 416 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 3b8h s TRP 417 N -3.27 1.77 0.53 3.10 -0.11 -1.25 -4.75 118.94 114.96 3b8h s TRP 417 Ca 0.49 -2.20 -0.01 0.00 1.22 0.00 0.00 56.10 55.60 3b8h s TRP 417 Cb -0.21 -1.73 0.02 0.00 -1.50 0.00 0.00 33.47 30.04 3b8h s TRP 417 CO 0.60 -0.81 0.77 0.95 -4.62 0.00 0.00 176.95 173.85 3b8h s THR 418 N 0.68 3.38 0.20 5.86 -4.23 -1.26 -4.95 115.64 115.31 3b8h s THR 418 Ca 0.16 -0.45 0.22 0.00 -1.18 0.00 0.00 61.69 60.45 3b8h s THR 418 Cb -0.23 -3.28 0.21 0.00 1.34 0.00 0.00 72.50 70.53 3b8h s THR 418 CO -0.04 -0.22 1.83 1.62 -0.54 0.00 0.00 174.62 177.27 3b8h h VAL 419 N 0.12 0.69 -0.14 2.29 3.04 -1.99 -2.27 116.25 117.98 3b8h h VAL 419 Ca -0.45 -1.16 -0.08 0.00 -1.01 0.00 0.00 66.70 64.00 3b8h h VAL 419 Cb 1.27 1.75 -0.00 0.00 -2.01 0.00 0.00 31.29 32.30 3b8h h VAL 419 CO 0.56 0.26 -0.22 -0.33 -1.01 0.00 0.00 177.57 176.83 3b8h h GLU 420 N 0.00 0.40 -0.28 4.17 3.07 -2.00 -2.43 114.58 117.52 3b8h h GLU 420 Ca -0.00 -0.24 -0.01 0.00 -0.50 0.00 0.00 59.36 58.61 3b8h h GLU 420 Cb 0.73 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.65 3b8h h GLU 420 CO 0.03 0.83 0.12 -0.09 -1.40 0.00 0.00 179.01 178.50 3b8h h ARG 421 N 0.01 0.38 -0.38 2.33 2.43 -1.90 -2.27 114.38 114.98 3b8h h ARG 421 Ca 0.01 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.12 3b8h h ARG 421 Cb 0.79 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.25 3b8h h ARG 421 CO 0.05 0.31 0.14 1.25 -1.51 0.00 0.00 179.97 180.21 3b8h h LEU 422 N 0.38 0.54 -1.49 3.80 5.85 -1.26 -0.98 115.31 122.16 3b8h h LEU 422 Ca 0.10 -0.18 -0.04 0.00 0.84 0.00 0.00 57.88 58.60 3b8h h LEU 422 Cb 0.06 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 3b8h h LEU 422 CO -0.01 0.58 -0.08 -0.07 -0.34 0.00 0.00 178.44 178.52 3b8h h LEU 423 N 0.47 0.22 0.05 2.25 3.38 -0.93 0.19 115.31 120.94 3b8h h LEU 423 Ca 0.13 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 3b8h h LEU 423 Cb 0.21 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3b8h h LEU 423 CO -0.01 0.33 -0.02 -0.61 0.09 0.00 0.00 178.44 178.22 3b8h h GLN 424 N 0.23 -0.06 -0.78 1.13 4.15 -1.10 -1.51 115.11 117.16 3b8h h GLN 424 Ca 0.05 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.46 3b8h h GLN 424 Cb 0.29 0.01 -0.04 0.00 0.21 0.00 0.00 27.48 27.96 3b8h h GLN 424 CO 0.01 0.41 0.41 0.00 -1.93 0.00 0.00 178.83 177.73 3b8h h ALA 425 N 0.35 1.26 -0.08 3.38 0.00 -0.91 -1.46 119.26 121.80 3b8h h ALA 425 Ca -0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3b8h h ALA 425 Cb 0.50 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 3b8h h ALA 425 CO 0.01 0.59 0.01 1.25 0.00 0.00 0.00 179.25 181.12 3b8h h HIS 426 N 1.10 0.14 -0.64 0.00 -0.00 -0.66 -1.86 115.15 113.23 3b8h h HIS 426 Ca 0.27 -0.02 0.04 0.00 -0.00 0.00 0.00 60.37 60.67 3b8h h HIS 426 Cb 0.05 -0.04 -0.05 0.00 -0.00 0.00 0.00 27.41 27.37 3b8h h HIS 426 CO 0.01 0.34 0.37 -0.09 -0.00 0.00 0.00 177.93 178.56 3b8h h ARG 427 N -0.10 0.68 0.00 5.26 2.43 -1.05 -2.03 114.38 119.57 3b8h h ARG 427 Ca 0.02 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.09 3b8h h ARG 427 Cb 0.28 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 3b8h h ARG 427 CO 0.00 0.45 -0.29 1.96 -1.51 0.00 0.00 179.97 180.58 3b8h h GLN 428 N 0.70 0.00 -0.24 0.20 4.20 -1.19 -0.47 115.11 118.31 3b8h h GLN 428 Ca 0.27 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.90 3b8h h GLN 428 Cb 0.11 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 3b8h h GLN 428 CO -0.15 0.29 -0.16 -0.07 -0.67 0.00 0.00 178.83 178.08 3b8h h LEU 429 N 0.00 0.56 -0.88 1.46 3.38 -0.67 -2.83 115.31 116.32 3b8h h LEU 429 Ca -0.00 -0.43 -0.09 0.00 0.09 0.00 0.00 57.88 57.44 3b8h h LEU 429 Cb 0.61 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 3b8h h LEU 429 CO 0.04 0.87 -0.12 -0.33 0.09 0.00 0.00 178.44 178.99 3b8h h GLU 430 N 0.24 0.69 0.00 1.13 5.08 -0.94 -0.29 114.58 120.50 3b8h h GLU 430 Ca 0.05 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 3b8h h GLU 430 Cb 0.68 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.87 3b8h h GLU 430 CO 0.04 0.79 0.00 0.93 -1.00 0.00 0.00 179.01 179.78 3b8h h GLU 431 N 0.63 0.00 -0.37 2.33 5.08 -1.07 -1.86 114.58 119.32 3b8h h GLU 431 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 3b8h h GLU 431 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 3b8h h GLU 431 CO 0.04 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 178.59 3b8h n ARG 432 N -2.32 2.37 -0.98 2.33 1.74 -0.75 -4.97 116.66 114.08 3b8h n ARG 432 Ca 0.01 -2.06 0.00 0.00 -0.77 0.00 0.00 57.85 55.03 3b8h n ARG 432 Cb 0.18 -1.37 0.00 0.00 -1.02 0.00 0.00 32.46 30.26 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 0.95 1.14 3.75 -0.13 0.00 -0.70 -5.00 105.19 105.20 3b8h n GLY 433 Ca 0.15 -0.46 -0.24 0.00 0.00 0.00 0.00 46.02 45.47 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 2.98 -0.01 1.61 1.51 -0.19 -0.70 117.35 120.55 3b8h s TYR 434 Ca 0.00 -0.12 -0.00 0.00 -1.01 0.00 0.00 57.07 55.93 3b8h s TYR 434 Cb 0.00 -1.37 0.01 0.00 -0.11 0.00 0.00 41.96 40.49 3b8h s TYR 434 CO 0.00 0.54 0.01 0.54 -1.11 0.00 0.00 175.55 175.53 3b8h s VAL 435 N -2.05 -0.01 0.10 0.71 0.11 -0.28 -3.96 120.40 115.01 3b8h s VAL 435 Ca 0.31 0.05 -0.31 0.00 -2.93 0.00 0.00 61.98 59.10 3b8h s VAL 435 Cb -0.08 -0.03 -0.07 0.00 -1.53 0.00 0.00 36.38 34.67 3b8h s VAL 435 CO 0.23 0.02 1.24 0.12 -3.33 0.00 0.00 175.10 173.37 3b8h s PHE 436 N 0.23 3.40 0.00 1.54 5.36 -1.26 -1.99 117.98 125.25 3b8h s PHE 436 Ca -0.02 1.26 0.00 0.00 -0.96 0.00 0.00 56.93 57.21 3b8h s PHE 436 Cb -0.03 -3.48 0.00 0.00 -0.34 0.00 0.00 43.02 39.18 3b8h s PHE 436 CO -0.01 -1.48 0.24 1.33 -1.46 0.00 0.00 175.22 173.84 3b8h n VAL 437 N 3.56 0.00 -1.28 3.12 0.24 -0.52 -4.36 118.33 119.09 3b8h n VAL 437 Ca 0.08 -0.37 0.00 0.00 -2.04 0.00 0.00 64.34 62.01 3b8h n VAL 437 Cb 0.45 1.17 0.00 0.00 -1.47 0.00 0.00 33.84 33.99 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 0.26 -0.14 3.69 7.63 0.00 -1.23 -4.53 105.19 110.88 3b8h n GLY 438 Ca 0.00 -1.64 -0.27 0.00 0.00 0.00 0.00 46.02 44.10 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 -2.19 2.94 -0.08 1.61 2.02 0.19 -0.72 117.35 121.12 3b8h s TYR 439 Ca 0.00 -0.09 -0.01 0.00 -0.37 0.00 0.00 57.07 56.60 3b8h s TYR 439 Cb 0.00 -1.44 0.03 0.00 -0.40 0.00 0.00 41.96 40.14 3b8h s TYR 439 CO 0.00 0.51 -0.02 -1.58 -1.57 0.00 0.00 175.55 172.89 3b8h s HIS 440 N -1.62 0.83 -0.09 2.71 5.65 0.71 -0.94 115.29 122.55 3b8h s HIS 440 Ca 0.28 -0.28 -0.10 0.00 0.25 0.00 0.00 55.06 55.20 3b8h s HIS 440 Cb -0.10 -0.88 -0.05 0.00 -1.18 0.00 0.00 32.58 30.37 3b8h s HIS 440 CO 0.19 -0.36 0.24 0.20 -0.65 0.00 0.00 174.74 174.36 3b8h s GLY 441 N 1.88 2.26 0.24 1.59 0.00 -1.23 -0.54 107.32 111.53 3b8h s GLY 441 Ca 0.04 -0.49 -0.20 0.00 0.00 0.00 0.00 44.72 44.08 3b8h s GLY 441 CO -0.06 -0.12 0.96 -0.37 0.00 0.00 0.00 173.10 173.52 3b8h n THR 442 N 2.12 0.00 -2.37 0.90 5.66 -1.11 -4.26 114.28 115.22 3b8h n THR 442 Ca -0.17 -0.69 -0.28 0.00 -3.05 0.00 0.00 64.05 59.86 3b8h n THR 442 Cb 0.54 0.84 0.01 0.00 -1.55 0.00 0.00 70.33 70.17 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 -2.13 3.47 0.18 1.09 -0.71 -1.26 -1.36 117.98 117.26 3b8h s PHE 443 Ca 0.21 0.86 -0.18 0.00 -1.04 0.00 0.00 56.93 56.79 3b8h s PHE 443 Cb -0.03 -2.56 0.12 0.00 -1.21 0.00 0.00 43.02 39.34 3b8h s PHE 443 CO 0.07 -0.58 1.64 -0.07 -1.34 0.00 0.00 175.22 174.95 3b8h h LEU 444 N -0.05 -0.59 -0.92 -1.99 3.38 -1.89 -1.22 115.31 112.02 3b8h h LEU 444 Ca -0.46 0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.63 3b8h h LEU 444 Cb 1.22 0.34 -0.03 0.00 0.09 0.00 0.00 40.66 42.28 3b8h h LEU 444 CO 0.62 -0.20 0.32 -0.33 0.09 0.00 0.00 178.44 178.93 3b8h h GLU 445 N -0.08 1.10 -0.79 1.13 3.07 -1.94 -1.86 114.58 115.22 3b8h h GLU 445 Ca 0.21 -0.18 -0.00 0.00 -0.50 0.00 0.00 59.36 58.89 3b8h h GLU 445 Cb 0.40 -0.19 -0.04 0.00 -0.84 0.00 0.00 28.75 28.08 3b8h h GLU 445 CO -0.49 0.88 0.49 0.00 -1.40 0.00 0.00 179.01 178.49 3b8h h ALA 446 N 1.26 1.01 -0.79 3.43 0.00 -1.65 -1.02 119.26 121.49 3b8h h ALA 446 Ca 0.25 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3b8h h ALA 446 Cb 0.17 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 3b8h h ALA 446 CO -0.03 0.46 0.40 0.00 0.00 0.00 0.00 179.25 180.08 3b8h h ALA 447 N 1.27 1.22 -0.24 0.00 0.00 -0.69 0.13 119.26 120.95 3b8h h ALA 447 Ca 0.29 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3b8h h ALA 447 Cb -0.07 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 3b8h h ALA 447 CO -0.06 0.61 0.08 0.37 0.00 0.00 0.00 179.25 180.26 3b8h h GLN 448 N 1.12 0.37 -0.71 0.00 5.75 -0.78 -1.34 115.11 119.52 3b8h h GLN 448 Ca 0.28 -0.08 -0.02 0.00 -0.15 0.00 0.00 58.65 58.68 3b8h h GLN 448 Cb 0.08 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.54 3b8h h GLN 448 CO -0.04 0.44 0.35 1.03 -2.65 0.00 0.00 178.83 177.96 3b8h h SER 449 N 0.23 0.93 -0.18 -0.69 0.87 -0.74 -0.92 113.55 113.05 3b8h h SER 449 Ca 0.08 -0.13 -0.10 0.00 -1.23 0.00 0.00 61.79 60.41 3b8h h SER 449 Cb 0.22 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 61.94 3b8h h SER 449 CO -0.00 0.79 -0.29 0.40 -0.53 0.00 0.00 176.83 177.20 3b8h h ILE 450 N 1.00 1.34 0.16 2.23 2.04 -0.64 -2.46 117.51 121.19 3b8h h ILE 450 Ca 0.25 -1.51 -0.30 0.00 1.00 0.00 0.00 64.86 64.30 3b8h h ILE 450 Cb 0.11 1.88 0.01 0.00 -0.74 0.00 0.00 36.82 38.08 3b8h h ILE 450 CO -0.03 0.46 -1.35 0.58 0.00 0.00 0.00 178.15 177.81 3b8h h VAL 451 N 0.16 1.40 -0.84 1.67 2.07 -1.25 -1.68 116.25 117.78 3b8h h VAL 451 Ca 0.02 -2.93 -0.58 0.00 0.82 0.00 0.00 66.70 64.02 3b8h h VAL 451 Cb 0.87 2.95 -0.34 0.00 -1.52 0.00 0.00 31.29 33.25 3b8h h VAL 451 CO 0.07 0.86 0.03 0.49 0.02 0.00 0.00 177.57 179.04 3b8h n PHE 452 N -3.58 2.86 -0.06 1.57 3.01 -0.35 -4.49 117.46 116.42 3b8h n PHE 452 Ca -0.12 -2.54 0.00 0.00 1.01 0.00 0.00 57.45 55.80 3b8h n PHE 452 Cb 1.05 -0.87 0.00 0.00 -0.01 0.00 0.00 39.48 39.65 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 -0.84 0.06 0.00 1.37 0.00 -0.95 -4.87 105.19 99.96 3b8h n GLY 453 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.54 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 -0.36 3.71 -0.02 0.00 -0.63 -4.92 105.19 102.97 3b8h n GLY 454 Ca 0.00 -1.68 -0.42 0.00 0.00 0.00 0.00 46.02 43.92 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 -2.71 4.04 0.02 1.61 1.01 -1.26 -4.39 120.40 118.72 3b8h s VAL 455 Ca 0.00 1.45 0.05 0.00 0.00 0.00 0.00 61.98 63.48 3b8h s VAL 455 Cb 0.00 -3.93 -0.02 0.00 0.00 0.00 0.00 36.38 32.43 3b8h s VAL 455 CO 0.00 0.09 -0.15 -0.13 0.00 0.00 0.00 175.10 174.91 3b8h s ARG 456 N 1.29 1.08 0.41 2.72 1.81 -1.26 -4.28 118.95 120.72 3b8h s ARG 456 Ca 0.59 -0.69 -0.26 0.00 -1.72 0.00 0.00 55.73 53.65 3b8h s ARG 456 Cb -0.29 -1.08 -0.08 0.00 -0.45 0.00 0.00 34.95 33.04 3b8h s ARG 456 CO 0.28 0.28 1.27 0.00 -0.68 0.00 0.00 175.30 176.45 3b8h s ALA 457 N -0.65 3.21 0.28 2.13 0.00 -1.26 -5.03 121.76 120.44 3b8h s ALA 457 Ca 0.04 1.17 -0.11 0.00 0.00 0.00 0.00 51.96 53.06 3b8h s ALA 457 Cb -0.07 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.59 3b8h s ALA 457 CO 0.01 -0.78 0.50 -0.98 0.00 0.00 0.00 175.76 174.50 3b8h s ARG 458 N -2.29 1.68 0.34 0.00 1.70 -1.26 -5.15 118.95 113.96 3b8h s ARG 458 Ca 0.58 -1.38 -0.28 0.00 -0.47 0.00 0.00 55.73 54.18 3b8h s ARG 458 Cb -0.36 0.47 -0.09 0.00 -0.57 0.00 0.00 34.95 34.40 3b8h s ARG 458 CO 0.46 -0.70 1.16 -1.12 -1.08 0.00 0.00 175.30 174.02 3b8h s SER 459 N -3.07 6.90 0.03 -2.89 0.01 -1.26 -4.97 113.70 108.44 3b8h s SER 459 Ca 0.24 2.36 0.01 0.00 1.31 0.00 0.00 55.95 59.86 3b8h s SER 459 Cb -0.01 -2.62 -0.02 0.00 0.21 0.00 0.00 66.02 63.58 3b8h s SER 459 CO 0.12 -0.41 -0.05 -1.10 0.41 0.00 0.00 173.24 172.20 3b8h s GLN 460 N -1.87 0.39 -1.11 12.44 -0.21 -1.26 -5.09 119.66 122.95 3b8h s GLN 460 Ca 0.50 -0.62 -0.15 0.00 0.02 0.00 0.00 55.36 55.11 3b8h s GLN 460 Cb -0.32 -0.09 0.17 0.00 1.00 0.00 0.00 33.01 33.77 3b8h s GLN 460 CO 0.41 0.00 1.30 0.16 -2.12 0.00 0.00 175.29 175.05 3b8h s ASP 461 N -1.38 6.97 0.09 5.90 -4.77 -1.26 -4.91 116.67 117.31 3b8h s ASP 461 Ca -0.12 -2.79 -0.27 0.00 -3.30 0.00 0.00 52.55 46.07 3b8h s ASP 461 Cb -0.09 -2.38 0.08 0.00 -1.09 0.00 0.00 42.92 39.44 3b8h s ASP 461 CO -0.00 -0.78 1.00 -1.48 0.70 0.00 0.00 175.17 174.61 3b8h s LEU 462 N 1.56 -0.19 0.03 2.11 0.05 -1.26 -5.12 118.68 115.86 3b8h s LEU 462 Ca 0.38 -0.27 -0.37 0.00 0.05 0.00 0.00 54.13 53.92 3b8h s LEU 462 Cb -0.04 1.99 -0.16 0.00 -2.05 0.00 0.00 46.19 45.93 3b8h s LEU 462 CO -0.03 -0.73 1.49 -0.67 -0.55 0.00 0.00 176.35 175.85 3b8h n ASP 463 N -0.42 2.17 -0.21 1.48 -0.08 -1.26 -4.77 116.55 113.46 3b8h n ASP 463 Ca -0.07 1.09 0.31 0.00 -1.51 0.00 0.00 54.79 54.62 3b8h n ASP 463 Cb 0.61 -1.24 0.73 0.00 2.34 0.00 0.00 41.12 43.56 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 5.59 2.89 0.00 -1.67 0.00 -2.00 0.19 119.26 124.26 3b8h h ALA 464 Ca -0.47 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 3b8h h ALA 464 Cb 1.31 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.18 3b8h h ALA 464 CO 0.84 -1.27 -0.02 -0.84 0.00 0.00 0.00 179.25 177.97 3b8h h ILE 465 N 0.00 0.05 -0.60 0.00 3.07 -1.92 -2.96 117.51 115.16 3b8h h ILE 465 Ca 0.47 -0.50 0.00 0.00 1.55 0.00 0.00 64.86 66.38 3b8h h ILE 465 Cb 1.98 1.47 0.00 0.00 -0.27 0.00 0.00 36.82 40.00 3b8h h ILE 465 CO -0.00 0.02 0.00 0.79 -1.05 0.00 0.00 178.15 177.90 3b8h n TRP 466 N -3.12 0.97 -2.32 0.16 7.02 0.68 -3.95 117.44 116.87 3b8h n TRP 466 Ca 0.00 -0.54 -0.37 0.00 -1.02 0.00 0.00 57.50 55.56 3b8h n TRP 466 Cb 0.29 -0.08 -0.02 0.00 -2.42 0.00 0.00 31.31 29.08 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 -1.28 3.93 0.00 -0.99 1.70 -1.12 -4.96 118.95 116.23 3b8h s ARG 467 Ca 0.43 1.75 0.00 0.00 -0.47 0.00 0.00 55.73 57.44 3b8h s ARG 467 Cb 0.24 -2.52 0.00 0.00 -0.57 0.00 0.00 34.95 32.10 3b8h s ARG 467 CO 0.26 -0.40 0.00 0.41 -1.08 0.00 0.00 175.30 174.48 3b8h n GLY 468 N 0.49 -0.70 3.66 3.88 0.00 -1.26 -4.55 105.19 106.71 3b8h n GLY 468 Ca 0.06 -1.40 -0.41 0.00 0.00 0.00 0.00 46.02 44.27 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 -1.88 3.37 -0.17 1.61 5.36 -0.05 -4.88 117.98 121.34 3b8h s PHE 469 Ca 0.00 1.03 -0.12 0.00 -0.96 0.00 0.00 56.93 56.88 3b8h s PHE 469 Cb 0.00 -2.89 -0.05 0.00 -0.34 0.00 0.00 43.02 39.75 3b8h s PHE 469 CO 0.00 -0.23 0.24 0.71 -1.46 0.00 0.00 175.22 174.48 3b8h s TYR 470 N 2.11 3.46 0.27 10.12 1.51 -1.26 -1.13 117.35 132.42 3b8h s TYR 470 Ca 0.32 0.52 0.03 0.00 -1.01 0.00 0.00 57.07 56.93 3b8h s TYR 470 Cb -0.16 -2.26 -0.03 0.00 -0.11 0.00 0.00 41.96 39.39 3b8h s TYR 470 CO 0.10 0.29 0.23 0.96 -1.11 0.00 0.00 175.55 176.03 3b8h s ILE 471 N 0.32 0.00 -0.02 2.71 -4.36 -0.52 -4.82 121.20 114.51 3b8h s ILE 471 Ca 0.14 -1.96 -0.01 0.00 -0.26 0.00 0.00 60.65 58.56 3b8h s ILE 471 Cb -0.12 -2.50 0.01 0.00 1.25 0.00 0.00 42.46 41.10 3b8h s ILE 471 CO 0.02 0.00 0.04 0.00 0.24 0.00 0.00 174.94 175.24 3b8h s ALA 472 N -3.74 -0.05 0.10 2.27 0.00 -0.12 -0.51 121.76 119.71 3b8h s ALA 472 Ca 0.39 0.19 -0.20 0.00 0.00 0.00 0.00 51.96 52.35 3b8h s ALA 472 Cb 0.04 -0.14 -0.08 0.00 0.00 0.00 0.00 23.12 22.94 3b8h s ALA 472 CO 0.20 -0.05 1.65 0.78 0.00 0.00 0.00 175.76 178.34 3b8h h GLY 473 N 6.50 0.32 -5.65 0.00 0.00 -1.80 0.55 103.07 102.98 3b8h h GLY 473 Ca -0.31 -0.17 -0.57 0.00 0.00 0.00 0.00 47.33 46.28 3b8h h GLY 473 CO 0.48 0.16 0.85 -0.35 0.00 0.00 0.00 176.54 177.68 3b8h s ASP 474 N -5.58 6.92 0.54 0.19 2.15 -1.26 -4.58 116.67 115.05 3b8h s ASP 474 Ca -0.14 1.08 0.20 0.00 0.43 0.00 0.00 52.55 54.13 3b8h s ASP 474 Cb 0.07 -2.54 1.44 0.00 -0.30 0.00 0.00 42.92 41.59 3b8h s ASP 474 CO 0.71 -0.88 2.18 1.55 -0.17 0.00 0.00 175.17 178.55 3b8h h PRO 475 N 8.14 0.00 -0.38 4.34 0.13 -1.96 -2.37 132.00 139.89 3b8h h PRO 475 Ca -0.21 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.90 3b8h h PRO 475 Cb 1.06 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.17 3b8h h PRO 475 CO 1.03 0.00 0.16 0.00 -0.23 0.00 0.00 178.00 178.96 3b8h h ALA 476 N 1.99 1.55 -0.02 -0.56 0.00 -1.94 0.98 119.26 121.26 3b8h h ALA 476 Ca 0.01 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3b8h h ALA 476 Cb 0.02 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 3b8h h ALA 476 CO -0.00 0.35 -0.01 1.25 0.00 0.00 0.00 179.25 180.84 3b8h h LEU 477 N 0.54 0.05 -1.57 0.00 5.85 -1.82 -3.08 115.31 115.27 3b8h h LEU 477 Ca 0.13 -0.37 -0.04 0.00 0.84 0.00 0.00 57.88 58.44 3b8h h LEU 477 Cb 0.11 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 3b8h h LEU 477 CO -0.01 0.41 -0.21 0.00 -0.34 0.00 0.00 178.44 178.29 3b8h h ALA 478 N 0.64 1.27 -0.65 1.25 0.00 -1.53 -2.93 119.26 117.31 3b8h h ALA 478 Ca 0.01 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 54.79 3b8h h ALA 478 Cb 0.39 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 3b8h h ALA 478 CO 0.00 0.26 0.43 -0.92 0.00 0.00 0.00 179.25 179.02 3b8h h TYR 479 N 0.00 0.65 0.00 0.00 5.03 -0.72 -1.31 116.97 120.63 3b8h h TYR 479 Ca -0.00 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.32 3b8h h TYR 479 Cb 0.50 -0.22 0.00 0.00 1.55 0.00 0.00 36.73 38.57 3b8h h TYR 479 CO 0.00 0.35 0.00 0.78 -1.32 0.00 0.00 178.16 177.97 3b8h h GLY 480 N 0.65 0.00 -1.32 1.82 0.00 -1.58 -2.04 103.07 100.61 3b8h h GLY 480 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.61 3b8h h GLY 480 CO -0.09 0.00 -0.16 -1.72 0.00 0.00 0.00 176.54 174.58 3b8h n TYR 481 N -2.80 0.00 -1.85 5.60 4.01 -0.50 -4.71 117.16 116.92 3b8h n TYR 481 Ca -0.01 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.31 3b8h n TYR 481 Cb 0.16 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.18 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 0.65 5.83 -3.70 -0.72 0.00 -0.77 -2.76 120.51 119.05 3b8h n ALA 482 Ca 0.10 -3.96 -0.02 0.00 0.00 0.00 0.00 53.44 49.56 3b8h n ALA 482 Cb 0.46 -3.34 -0.01 0.00 0.00 0.00 0.00 19.45 16.56 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 2.12 0.92 0.57 0.00 -2.07 -1.23 0.05 119.66 120.02 3b8h s GLN 483 Ca 0.48 -0.50 -0.19 0.00 -1.82 0.00 0.00 55.36 53.33 3b8h s GLN 483 Cb 0.14 0.32 -0.04 0.00 -1.09 0.00 0.00 33.01 32.33 3b8h s GLN 483 CO -0.06 -0.42 1.20 -0.51 -1.32 0.00 0.00 175.29 174.17 3b8h s ASP 484 N -2.90 5.37 -0.00 12.60 1.01 -0.94 -3.98 116.67 127.82 3b8h s ASP 484 Ca 0.12 2.36 0.12 0.00 0.71 0.00 0.00 52.55 55.87 3b8h s ASP 484 Cb 0.00 -2.60 -0.15 0.00 1.01 0.00 0.00 42.92 41.19 3b8h s ASP 484 CO -0.00 -1.47 0.46 0.00 0.21 0.00 0.00 175.17 174.37 3b8h n GLN 485 N -1.42 2.35 -4.86 8.23 1.13 -1.26 -4.93 117.38 116.62 3b8h n GLN 485 Ca 0.13 -0.03 -0.26 0.00 -1.94 0.00 0.00 57.00 54.90 3b8h n GLN 485 Cb 0.49 -1.13 -0.16 0.00 0.11 0.00 0.00 30.24 29.56 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 -2.32 1.64 0.17 -1.09 0.41 -1.26 -5.11 118.70 111.13 3b8h s GLU 486 Ca 0.02 -0.63 -0.33 0.00 -0.41 0.00 0.00 54.97 53.61 3b8h s GLU 486 Cb 0.09 -1.50 -0.15 0.00 -1.78 0.00 0.00 34.13 30.79 3b8h s GLU 486 CO 0.50 0.32 1.38 -2.30 -0.49 0.00 0.00 175.26 174.68 3b8h n PRO 487 N 2.88 1.68 -0.74 0.39 -0.02 -1.26 -4.85 135.00 133.07 3b8h n PRO 487 Ca -0.16 0.60 -0.30 0.00 -2.02 0.00 0.00 63.50 61.61 3b8h n PRO 487 Cb 0.53 -2.25 0.27 0.00 -0.02 0.00 0.00 33.50 32.03 3b8h n PRO 487 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3b8h s ASP 488 N 0.42 -0.16 0.00 2.55 -1.08 0.70 -4.78 116.67 114.32 3b8h s ASP 488 Ca 0.75 0.69 0.02 0.00 -0.52 0.00 0.00 52.55 53.49 3b8h s ASP 488 Cb -0.77 -0.95 0.08 0.00 -1.46 0.00 0.00 42.92 39.83 3b8h s ASP 488 CO 0.47 -4.79 0.97 0.00 0.52 0.00 0.00 175.17 172.34 3b8h n ALA 489 N -5.22 1.17 -1.42 3.66 0.00 -1.26 -1.51 120.51 115.93 3b8h n ALA 489 Ca 0.14 -0.01 0.07 0.00 0.00 0.00 0.00 53.44 53.64 3b8h n ALA 489 Cb 0.60 -1.03 0.11 0.00 0.00 0.00 0.00 19.45 19.13 3b8h n ALA 489 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3b8h n ARG 490 N -1.41 0.95 -0.92 0.00 1.74 -1.26 -4.93 116.66 110.83 3b8h n ARG 490 Ca 0.01 -2.26 0.00 0.00 -0.77 0.00 0.00 57.85 54.83 3b8h n ARG 490 Cb 0.02 -1.21 0.00 0.00 -1.02 0.00 0.00 32.46 30.25 3b8h n ARG 490 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3b8h n GLY 491 N -0.97 0.69 3.78 -0.13 0.00 -0.57 -5.00 105.19 102.99 3b8h n GLY 491 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.27 3.37 -0.38 1.61 0.52 -1.25 -4.52 118.95 118.03 3b8h s ARG 492 Ca 0.00 1.55 0.01 0.00 -0.52 0.00 0.00 55.73 56.77 3b8h s ARG 492 Cb 0.00 -2.01 0.12 0.00 0.52 0.00 0.00 34.95 33.58 3b8h s ARG 492 CO 0.00 -0.82 0.17 0.42 0.02 0.00 0.00 175.30 175.09 3b8h s ILE 493 N -1.87 1.17 0.44 1.52 -1.09 -1.26 0.25 121.20 120.35 3b8h s ILE 493 Ca 0.71 -2.05 -0.14 0.00 -2.23 0.00 0.00 60.65 56.94 3b8h s ILE 493 Cb -0.22 -1.84 -0.07 0.00 -1.58 0.00 0.00 42.46 38.74 3b8h s ILE 493 CO 0.27 -0.80 0.85 0.00 -1.23 0.00 0.00 174.94 174.03 3b8h s ARG 494 N 0.91 3.89 0.81 2.79 3.03 -1.26 -4.84 118.95 124.28 3b8h s ARG 494 Ca 0.14 0.70 -0.11 0.00 2.03 0.00 0.00 55.73 58.49 3b8h s ARG 494 Cb -0.21 -2.29 0.08 0.00 -1.03 0.00 0.00 34.95 31.50 3b8h s ARG 494 CO -0.10 -0.10 1.13 0.54 -1.13 0.00 0.00 175.30 175.65 3b8h s ASN 495 N -2.97 3.90 0.00 -2.89 4.22 -1.26 -2.22 114.94 113.71 3b8h s ASN 495 Ca 0.55 2.07 0.00 0.00 -2.14 0.00 0.00 52.86 53.33 3b8h s ASN 495 Cb -0.10 -2.55 0.00 0.00 1.28 0.00 0.00 41.25 39.88 3b8h s ASN 495 CO 0.29 -2.45 0.00 0.61 -2.04 0.00 0.00 177.10 173.51 3b8h n GLY 496 N -0.35 3.21 3.13 0.45 0.00 0.11 -4.60 105.19 107.14 3b8h n GLY 496 Ca 0.11 -1.70 -0.12 0.00 0.00 0.00 0.00 46.02 44.31 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 -2.61 -0.43 -0.12 4.61 0.00 -0.46 -4.59 121.76 118.16 3b8h s ALA 497 Ca 0.00 -0.00 -0.19 0.00 0.00 0.00 0.00 51.96 51.77 3b8h s ALA 497 Cb 0.00 0.08 -0.04 0.00 0.00 0.00 0.00 23.12 23.16 3b8h s ALA 497 CO 0.00 -0.21 0.51 -0.51 0.00 0.00 0.00 175.76 175.54 3b8h s LEU 498 N -1.30 4.27 0.02 0.00 1.43 -1.26 -2.73 118.68 119.11 3b8h s LEU 498 Ca -0.14 0.85 0.05 0.00 -1.03 0.00 0.00 54.13 53.87 3b8h s LEU 498 Cb -0.07 -2.74 -0.03 0.00 0.03 0.00 0.00 46.19 43.38 3b8h s LEU 498 CO 0.02 -0.02 -0.12 -0.76 0.23 0.00 0.00 176.35 175.69 3b8h s LEU 499 N 0.70 2.88 -0.20 1.79 1.02 0.30 -0.43 118.68 124.73 3b8h s LEU 499 Ca 0.27 -0.29 -0.10 0.00 0.02 0.00 0.00 54.13 54.04 3b8h s LEU 499 Cb -0.15 -1.67 -0.05 0.00 0.02 0.00 0.00 46.19 44.34 3b8h s LEU 499 CO 0.11 0.27 0.13 -0.13 0.02 0.00 0.00 176.35 176.75 3b8h s ARG 500 N -1.43 4.15 -0.16 1.70 0.52 0.22 -0.20 118.95 123.74 3b8h s ARG 500 Ca 0.16 -0.24 -0.04 0.00 -0.52 0.00 0.00 55.73 55.08 3b8h s ARG 500 Cb -0.11 -3.42 -0.03 0.00 0.52 0.00 0.00 34.95 31.91 3b8h s ARG 500 CO 0.06 0.26 -0.02 0.08 0.02 0.00 0.00 175.30 175.70 3b8h s VAL 501 N 0.48 4.07 -0.02 3.52 1.01 0.10 -1.19 120.40 128.38 3b8h s VAL 501 Ca 0.07 -0.30 0.07 0.00 0.00 0.00 0.00 61.98 61.83 3b8h s VAL 501 Cb -0.12 -2.79 -0.02 0.00 0.00 0.00 0.00 36.38 33.45 3b8h s VAL 501 CO -0.01 0.49 -0.23 -0.31 0.00 0.00 0.00 175.10 175.04 3b8h s TYR 502 N 0.36 2.03 0.32 5.22 1.51 -0.06 -1.44 117.35 125.29 3b8h s TYR 502 Ca -0.03 -0.38 0.09 0.00 -1.01 0.00 0.00 57.07 55.74 3b8h s TYR 502 Cb -0.14 -1.31 -0.05 0.00 -0.11 0.00 0.00 41.96 40.36 3b8h s TYR 502 CO 0.02 -0.03 0.00 0.14 -1.11 0.00 0.00 175.55 174.57 3b8h s VAL 503 N -0.54 2.86 0.42 0.71 -7.23 -0.84 0.01 120.40 115.78 3b8h s VAL 503 Ca 0.09 -1.97 -0.25 0.00 -1.81 0.00 0.00 61.98 58.03 3b8h s VAL 503 Cb -0.09 -2.78 -0.08 0.00 0.56 0.00 0.00 36.38 33.99 3b8h s VAL 503 CO -0.01 -0.26 1.23 -2.84 -0.31 0.00 0.00 175.10 172.91 3b8h s PRO 504 N -3.70 3.94 0.55 4.82 0.02 -1.26 -1.13 135.00 138.24 3b8h s PRO 504 Ca 0.34 1.97 0.22 0.00 0.02 0.00 0.00 61.00 63.54 3b8h s PRO 504 Cb -0.02 -2.66 1.48 0.00 0.02 0.00 0.00 34.50 33.32 3b8h s PRO 504 CO 0.19 -0.45 2.19 0.00 -0.33 0.00 0.00 177.00 178.60 3b8h h ARG 505 N 2.53 0.00 0.00 5.54 3.08 -1.23 -1.41 114.38 122.89 3b8h h ARG 505 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.56 3b8h h ARG 505 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.29 3b8h h ARG 505 CO 0.62 0.01 0.00 -1.13 -1.07 0.00 0.00 179.97 178.40 3b8h n SER 506 N -4.25 0.00 -0.48 7.04 3.41 -1.26 -1.60 113.62 116.48 3b8h n SER 506 Ca -0.03 0.43 0.10 0.00 -0.26 0.00 0.00 58.87 59.11 3b8h n SER 506 Cb 0.09 -0.44 0.00 0.00 -0.26 0.00 0.00 64.21 63.60 3b8h n SER 506 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3b8h n SER 507 N -1.44 1.96 -0.05 4.04 3.41 -0.53 -4.49 113.62 116.51 3b8h n SER 507 Ca 0.01 -1.48 0.03 0.00 -0.26 0.00 0.00 58.87 57.18 3b8h n SER 507 Cb 0.04 0.45 0.39 0.00 -0.26 0.00 0.00 64.21 64.82 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 2.35 0.56 -1.61 1.04 3.38 -1.44 -1.49 115.31 118.10 3b8h h LEU 508 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3b8h h LEU 508 Cb 0.70 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.31 3b8h h LEU 508 CO 0.00 0.40 0.09 -0.65 0.09 0.00 0.00 178.44 178.37 3b8h h PRO 509 N 0.66 0.00 -0.14 1.13 0.11 -1.80 -0.80 132.00 131.15 3b8h h PRO 509 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 3b8h h PRO 509 Cb -0.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.04 3b8h h PRO 509 CO -0.04 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.16 3b8h n GLY 510 N -1.25 0.81 3.73 -0.55 0.00 -0.56 -4.91 105.19 102.46 3b8h n GLY 510 Ca -0.02 -0.59 -0.38 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.83 3.55 0.16 1.61 0.40 -0.31 -0.65 117.98 120.90 3b8h s PHE 511 Ca 0.34 0.99 0.03 0.00 -0.60 0.00 0.00 56.93 57.68 3b8h s PHE 511 Cb 0.20 -2.58 -0.05 0.00 0.51 0.00 0.00 43.02 41.11 3b8h s PHE 511 CO 0.30 0.21 -0.03 0.71 0.70 0.00 0.00 175.22 177.11 3b8h s TYR 512 N 0.45 1.19 0.05 0.36 1.51 -0.20 -3.19 117.35 117.52 3b8h s TYR 512 Ca 0.28 -0.93 0.02 0.00 -1.01 0.00 0.00 57.07 55.43 3b8h s TYR 512 Cb -0.16 -0.66 -0.03 0.00 -0.11 0.00 0.00 41.96 41.00 3b8h s TYR 512 CO 0.12 -0.12 -0.08 -0.98 -1.11 0.00 0.00 175.55 173.39 3b8h s ARG 513 N -3.86 0.58 0.12 -0.62 1.70 -0.24 -0.58 118.95 116.05 3b8h s ARG 513 Ca 0.20 -0.86 -0.13 0.00 -0.47 0.00 0.00 55.73 54.48 3b8h s ARG 513 Cb 0.05 -0.27 0.02 0.00 -0.57 0.00 0.00 34.95 34.18 3b8h s ARG 513 CO 0.02 0.04 0.33 -0.08 -1.08 0.00 0.00 175.30 174.52 3b8h s THR 514 N -1.77 0.09 -1.07 4.99 -1.32 -0.05 -4.60 115.64 111.92 3b8h s THR 514 Ca -0.06 -0.84 0.23 0.00 -1.21 0.00 0.00 61.69 59.82 3b8h s THR 514 Cb -0.07 -1.28 -0.07 0.00 -1.51 0.00 0.00 72.50 69.57 3b8h s THR 514 CO -0.01 -0.43 1.21 -1.20 -2.21 0.00 0.00 174.62 171.99 3b8h n SER 515 N -0.17 0.77 -4.79 8.08 7.64 -1.26 -4.22 113.62 119.66 3b8h n SER 515 Ca -0.15 -0.61 -0.34 0.00 1.01 0.00 0.00 58.87 58.78 3b8h n SER 515 Cb 0.63 0.54 -0.01 0.00 -1.01 0.00 0.00 64.21 64.36 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 -2.96 3.71 -0.11 -3.43 1.43 -1.26 -4.67 118.68 111.39 3b8h s LEU 516 Ca 0.11 1.94 -0.30 0.00 -1.03 0.00 0.00 54.13 54.86 3b8h s LEU 516 Cb 0.17 -4.56 -0.02 0.00 0.03 0.00 0.00 46.19 41.81 3b8h s LEU 516 CO 0.75 -1.01 1.25 -0.89 0.23 0.00 0.00 176.35 176.69 3b8h s THR 517 N -2.09 4.24 0.87 5.49 2.01 -1.26 -3.92 115.64 120.97 3b8h s THR 517 Ca 0.67 1.53 -0.12 0.00 0.31 0.00 0.00 61.69 64.09 3b8h s THR 517 Cb -0.18 -3.99 0.11 0.00 0.01 0.00 0.00 72.50 68.46 3b8h s THR 517 CO 0.27 -0.07 1.10 -0.76 -0.69 0.00 0.00 174.62 174.46 3b8h s LEU 518 N 2.92 2.34 -1.12 4.42 1.43 -1.07 -4.05 118.68 123.55 3b8h s LEU 518 Ca 0.56 1.40 -0.01 0.00 -1.03 0.00 0.00 54.13 55.04 3b8h s LEU 518 Cb -0.23 -3.87 0.00 0.00 0.03 0.00 0.00 46.19 42.12 3b8h s LEU 518 CO 0.18 -2.43 0.15 0.00 0.23 0.00 0.00 176.35 174.48 3b8h n ALA 519 N -3.74 -0.49 -2.97 4.21 0.00 -1.26 -4.86 120.51 111.40 3b8h n ALA 519 Ca 0.07 0.14 -0.11 0.00 0.00 0.00 0.00 53.44 53.54 3b8h n ALA 519 Cb 0.56 -2.02 -0.13 0.00 0.00 0.00 0.00 19.45 17.86 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 -2.78 -0.12 0.38 0.00 0.00 -1.26 -5.03 121.76 112.94 3b8h s ALA 520 Ca 0.07 -0.01 0.17 0.00 0.00 0.00 0.00 51.96 52.20 3b8h s ALA 520 Cb -0.03 -0.03 1.08 0.00 0.00 0.00 0.00 23.12 24.14 3b8h s ALA 520 CO 0.09 -0.08 1.74 -1.35 0.00 0.00 0.00 175.76 176.16 3b8h h PRO 521 N 5.57 0.39 0.00 0.00 0.11 -1.95 0.10 132.00 136.22 3b8h h PRO 521 Ca -0.27 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.78 3b8h h PRO 521 Cb 1.21 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 3b8h h PRO 521 CO 0.45 0.26 -0.17 0.93 -0.21 0.00 0.00 178.00 179.26 3b8h h GLU 522 N 0.40 0.00 0.00 1.05 3.07 -1.97 -2.55 114.58 114.59 3b8h h GLU 522 Ca 0.64 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 59.45 3b8h h GLU 522 Cb 1.56 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.46 3b8h h GLU 522 CO -0.38 0.17 -1.25 0.00 -1.40 0.00 0.00 179.01 176.15 3b8h n ALA 523 N -2.47 2.37 -0.01 3.43 0.00 0.31 -4.46 120.51 119.68 3b8h n ALA 523 Ca -0.02 -0.37 -0.10 0.00 0.00 0.00 0.00 53.44 52.94 3b8h n ALA 523 Cb 0.24 -1.01 -0.04 0.00 0.00 0.00 0.00 19.45 18.64 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 1.82 -0.35 -0.60 0.00 0.00 -0.97 -0.20 119.26 118.96 3b8h h ALA 524 Ca -0.06 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3b8h h ALA 524 Cb 1.19 0.61 -0.03 0.00 0.00 0.00 0.00 17.79 19.56 3b8h h ALA 524 CO 0.01 -0.79 0.26 0.78 0.00 0.00 0.00 179.25 179.52 3b8h h GLY 525 N -0.38 0.93 1.03 0.00 0.00 -1.78 -1.71 103.07 101.16 3b8h h GLY 525 Ca 0.10 -0.46 -0.12 0.00 0.00 0.00 0.00 47.33 46.85 3b8h h GLY 525 CO -0.37 0.43 -0.26 -2.09 0.00 0.00 0.00 176.54 174.25 3b8h h GLU 526 N 0.86 0.82 -0.36 4.80 4.57 -1.60 -1.95 114.58 121.72 3b8h h GLU 526 Ca 0.21 -0.39 -0.09 0.00 -1.18 0.00 0.00 59.36 57.90 3b8h h GLU 526 Cb 0.13 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.70 3b8h h GLU 526 CO -0.02 1.03 -0.15 0.28 -1.18 0.00 0.00 179.01 178.96 3b8h h VAL 527 N 0.62 1.26 -0.34 0.32 2.07 -0.87 -2.31 116.25 116.99 3b8h h VAL 527 Ca 0.07 -1.17 -0.07 0.00 0.82 0.00 0.00 66.70 66.35 3b8h h VAL 527 Cb 0.83 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 3b8h h VAL 527 CO 0.07 0.39 -0.08 -0.33 0.02 0.00 0.00 177.57 177.64 3b8h h GLU 528 N 0.59 0.57 -0.54 1.57 5.08 -1.18 -1.62 114.58 119.06 3b8h h GLU 528 Ca 0.10 -0.16 -0.08 0.00 -1.00 0.00 0.00 59.36 58.22 3b8h h GLU 528 Cb 0.60 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 3b8h h GLU 528 CO 0.04 0.66 0.01 -0.09 -1.00 0.00 0.00 179.01 178.62 3b8h h ARG 529 N 0.53 0.91 -0.19 2.33 2.43 -0.98 -1.51 114.38 117.91 3b8h h ARG 529 Ca 0.10 -0.26 -0.08 0.00 -0.81 0.00 0.00 59.98 58.93 3b8h h ARG 529 Cb 0.46 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.91 3b8h h ARG 529 CO 0.02 0.90 -0.19 -0.07 -1.51 0.00 0.00 179.97 179.13 3b8h h LEU 530 N 0.85 0.49 0.00 3.80 3.38 -0.88 -3.26 115.31 119.69 3b8h h LEU 530 Ca 0.16 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.65 3b8h h LEU 530 Cb 0.49 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3b8h h LEU 530 CO 0.02 0.87 -0.41 2.30 0.09 0.00 0.00 178.44 181.31 3b8h n ILE 531 N -4.47 0.19 -0.90 1.22 -5.35 -0.66 -4.15 119.36 105.25 3b8h n ILE 531 Ca -0.05 -0.13 0.00 0.00 -0.27 0.00 0.00 62.75 62.29 3b8h n ILE 531 Cb 0.40 -0.10 0.00 0.00 -1.74 0.00 0.00 39.64 38.19 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 1.42 0.48 3.46 3.28 0.00 -0.59 -4.98 105.19 108.26 3b8h n GLY 532 Ca 0.05 -0.62 -0.11 0.00 0.00 0.00 0.00 46.02 45.34 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 0.62 1.61 0.00 -1.09 -5.04 115.29 108.92 3b8h s HIS 533 Ca 0.00 0.28 -0.18 0.00 -3.00 0.00 0.00 55.06 52.16 3b8h s HIS 533 Cb 0.00 0.56 -0.02 0.00 -4.00 0.00 0.00 32.58 29.12 3b8h s HIS 533 CO 0.00 -0.78 1.19 -2.14 -1.00 0.00 0.00 174.74 172.01 3b8h s PRO 534 N -3.58 2.86 0.91 -0.38 0.02 -1.26 -4.51 135.00 129.05 3b8h s PRO 534 Ca 0.02 1.75 -0.11 0.00 0.02 0.00 0.00 61.00 62.69 3b8h s PRO 534 Cb -0.01 -1.92 0.12 0.00 0.02 0.00 0.00 34.50 32.71 3b8h s PRO 534 CO -0.11 -1.28 1.05 1.28 -0.33 0.00 0.00 177.00 177.61 3b8h n LEU 535 N -1.83 2.96 -4.93 -5.54 4.77 -1.26 -4.74 117.00 106.43 3b8h n LEU 535 Ca 0.13 0.43 -0.28 0.00 -0.03 0.00 0.00 56.01 56.26 3b8h n LEU 535 Cb 0.50 -1.44 0.12 0.00 -2.33 0.00 0.00 43.42 40.27 3b8h n LEU 535 CO 0.45 -2.31 0.75 -2.16 -1.33 0.00 0.00 177.39 172.79 3b8h s PRO 536 N -4.42 1.50 0.41 3.23 0.04 -1.25 -4.94 135.00 129.57 3b8h s PRO 536 Ca 0.66 -0.30 -0.26 0.00 0.04 0.00 0.00 61.00 61.14 3b8h s PRO 536 Cb -0.24 -2.01 -0.09 0.00 0.04 0.00 0.00 34.50 32.21 3b8h s PRO 536 CO 0.58 -1.80 1.41 -0.51 0.04 0.00 0.00 177.00 176.73 3b8h s LEU 537 N -5.57 4.22 0.00 -3.56 1.43 -1.26 -4.99 118.68 108.95 3b8h s LEU 537 Ca 0.66 2.89 0.00 0.00 -1.03 0.00 0.00 54.13 56.66 3b8h s LEU 537 Cb -0.08 -3.83 0.00 0.00 0.03 0.00 0.00 46.19 42.31 3b8h s LEU 537 CO 0.49 -0.98 0.00 0.54 0.23 0.00 0.00 176.35 176.63 3b8h n ARG 538 N 0.13 0.00 -1.63 1.70 5.12 -1.26 -4.12 116.66 116.61 3b8h n ARG 538 Ca 0.03 0.00 -0.30 0.00 -1.93 0.00 0.00 57.85 55.65 3b8h n ARG 538 Cb 0.41 0.00 -0.04 0.00 -1.16 0.00 0.00 32.46 31.67 3b8h n ARG 538 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3b8h n LEU 539 N 0.00 6.83 -3.88 0.55 4.77 -1.26 -2.70 117.00 121.31 3b8h n LEU 539 Ca 0.00 -4.28 -0.09 0.00 -0.03 0.00 0.00 56.01 51.61 3b8h n LEU 539 Cb 0.00 -1.25 -0.01 0.00 -2.33 0.00 0.00 43.42 39.83 3b8h n LEU 539 CO 0.00 1.80 0.42 1.51 -1.33 0.00 0.00 177.39 179.79 3b8h s ASP 540 N 0.27 0.03 0.02 -1.43 3.84 -1.26 -4.70 116.67 113.45 3b8h s ASP 540 Ca 0.57 -1.01 -0.09 0.00 -0.00 0.00 0.00 52.55 52.02 3b8h s ASP 540 Cb 0.34 0.76 0.00 0.00 -1.38 0.00 0.00 42.92 42.65 3b8h s ASP 540 CO -0.20 -1.48 0.19 0.00 -0.00 0.00 0.00 175.17 173.68 3b8h s ALA 541 N -3.08 -0.39 -0.04 2.11 0.00 0.17 -1.45 121.76 119.08 3b8h s ALA 541 Ca 0.17 -0.18 0.02 0.00 0.00 0.00 0.00 51.96 51.97 3b8h s ALA 541 Cb -0.04 0.21 0.01 0.00 0.00 0.00 0.00 23.12 23.30 3b8h s ALA 541 CO 0.11 -0.31 -0.09 -1.50 0.00 0.00 0.00 175.76 173.97 3b8h s ILE 542 N -2.14 0.86 -0.09 0.00 1.10 -0.90 -1.03 121.20 119.00 3b8h s ILE 542 Ca -0.08 -0.36 0.02 0.00 -0.51 0.00 0.00 60.65 59.72 3b8h s ILE 542 Cb -0.03 -0.79 -0.02 0.00 0.15 0.00 0.00 42.46 41.76 3b8h s ILE 542 CO -0.02 0.28 -0.15 -0.89 -2.11 0.00 0.00 174.94 172.06 3b8h s THR 543 N 0.50 2.97 0.16 4.00 2.01 0.26 -1.20 115.64 124.35 3b8h s THR 543 Ca -0.09 -0.72 -0.23 0.00 0.31 0.00 0.00 61.69 60.95 3b8h s THR 543 Cb -0.12 -2.20 0.08 0.00 0.01 0.00 0.00 72.50 70.26 3b8h s THR 543 CO 0.02 0.56 1.04 -0.83 -0.69 0.00 0.00 174.62 174.71 3b8h s GLY 544 N -0.17 -0.01 0.25 4.40 0.00 -0.89 -0.87 107.32 110.03 3b8h s GLY 544 Ca -0.01 -0.15 -0.31 0.00 0.00 0.00 0.00 44.72 44.26 3b8h s GLY 544 CO 0.03 1.73 1.58 -4.14 0.00 0.00 0.00 173.10 172.30 3b8h s PRO 545 N -2.47 4.17 0.51 2.90 0.02 -1.25 -0.45 135.00 138.43 3b8h s PRO 545 Ca 0.19 2.49 0.17 0.00 0.02 0.00 0.00 61.00 63.87 3b8h s PRO 545 Cb -0.02 -3.07 1.25 0.00 0.02 0.00 0.00 34.50 32.68 3b8h s PRO 545 CO 0.04 -0.61 2.11 0.00 -0.33 0.00 0.00 177.00 178.22 3b8h h ALA 546 N 5.51 2.06 -2.39 -1.55 0.00 -1.43 -2.83 119.26 118.63 3b8h h ALA 546 Ca -0.45 -0.01 0.17 0.00 0.00 0.00 0.00 54.91 54.62 3b8h h ALA 546 Cb 1.21 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.91 3b8h h ALA 546 CO 0.84 -0.09 0.46 -1.83 0.00 0.00 0.00 179.25 178.63 3b8h s GLU 547 N -5.10 1.22 0.11 0.00 4.04 -1.26 -4.52 118.70 113.18 3b8h s GLU 547 Ca -0.05 -0.67 -0.36 0.00 0.04 0.00 0.00 54.97 53.93 3b8h s GLU 547 Cb 0.18 0.42 -0.16 0.00 0.02 0.00 0.00 34.13 34.58 3b8h s GLU 547 CO 0.69 -0.56 1.30 -1.91 -1.84 0.00 0.00 175.26 172.94 3b8h n GLU 548 N -0.46 1.15 -1.58 -4.83 2.13 -1.26 -0.08 120.64 115.71 3b8h n GLU 548 Ca -0.06 0.41 -0.20 0.00 0.66 0.00 0.00 57.16 57.97 3b8h n GLU 548 Cb 0.61 -2.02 -0.09 0.00 0.27 0.00 0.00 31.44 30.21 3b8h n GLU 548 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3b8h n GLY 549 N 2.41 1.92 3.77 8.31 0.00 -1.26 -4.95 105.19 115.38 3b8h n GLY 549 Ca 0.18 -0.02 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 3b8h n GLY 549 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3b8h n GLY 550 N -0.39 2.29 3.86 -0.02 0.00 0.89 -5.11 105.19 106.70 3b8h n GLY 550 Ca -0.20 -2.25 -0.31 0.00 0.00 0.00 0.00 46.02 43.25 3b8h n GLY 550 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3b8h s ARG 551 N -4.41 3.76 0.34 1.61 0.52 -1.26 -4.67 118.95 114.83 3b8h s ARG 551 Ca 0.47 0.81 -0.27 0.00 -0.52 0.00 0.00 55.73 56.22 3b8h s ARG 551 Cb -0.04 -2.13 -0.09 0.00 0.52 0.00 0.00 34.95 33.21 3b8h s ARG 551 CO 0.30 -0.40 1.06 -0.51 0.02 0.00 0.00 175.30 175.77 3b8h s LEU 552 N -4.60 4.36 0.11 2.53 1.43 -1.26 -1.20 118.68 120.04 3b8h s LEU 552 Ca 0.56 2.13 0.06 0.00 -1.03 0.00 0.00 54.13 55.85 3b8h s LEU 552 Cb -0.10 -3.90 -0.04 0.00 0.03 0.00 0.00 46.19 42.18 3b8h s LEU 552 CO 0.42 -0.29 -0.15 -1.83 0.23 0.00 0.00 176.35 174.73 3b8h s GLU 553 N -1.95 1.02 -0.13 1.70 -1.05 0.40 -4.32 118.70 114.37 3b8h s GLU 553 Ca 0.51 -1.19 0.02 0.00 -0.15 0.00 0.00 54.97 54.16 3b8h s GLU 553 Cb -0.26 -0.98 0.01 0.00 -0.44 0.00 0.00 34.13 32.46 3b8h s GLU 553 CO 0.33 0.20 -0.19 0.99 0.95 0.00 0.00 175.26 177.55 3b8h s THR 554 N -1.86 1.83 -0.36 1.83 2.01 0.33 -2.10 115.64 117.32 3b8h s THR 554 Ca 0.07 -0.83 -0.12 0.00 0.31 0.00 0.00 61.69 61.11 3b8h s THR 554 Cb -0.06 -1.65 0.00 0.00 0.01 0.00 0.00 72.50 70.80 3b8h s THR 554 CO 0.03 0.51 0.23 -0.63 -0.69 0.00 0.00 174.62 174.07 3b8h s ILE 555 N 0.98 4.99 -0.19 1.82 1.01 -0.34 -1.44 121.20 128.03 3b8h s ILE 555 Ca -0.05 -0.51 -0.19 0.00 0.00 0.00 0.00 60.65 59.90 3b8h s ILE 555 Cb -0.15 -3.66 -0.03 0.00 0.01 0.00 0.00 42.46 38.63 3b8h s ILE 555 CO -0.04 -0.12 0.55 -0.76 0.00 0.00 0.00 174.94 174.57 3b8h s LEU 556 N 1.65 4.16 0.42 2.97 1.43 -0.29 -2.13 118.68 126.90 3b8h s LEU 556 Ca 0.05 0.75 -0.24 0.00 -1.03 0.00 0.00 54.13 53.65 3b8h s LEU 556 Cb -0.18 -2.77 -0.11 0.00 0.03 0.00 0.00 46.19 43.16 3b8h s LEU 556 CO 0.09 -0.19 0.97 0.61 0.23 0.00 0.00 176.35 178.06 3b8h n GLY 557 N 3.78 -0.32 0.28 -3.19 0.00 -0.53 -0.87 105.19 104.34 3b8h n GLY 557 Ca -0.04 0.13 0.06 0.00 0.00 0.00 0.00 46.02 46.18 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 1.47 0.43 -0.70 1.61 -0.00 -1.72 0.31 115.95 117.34 3b8h h TRP 558 Ca -0.44 0.04 0.09 0.00 -0.00 0.00 0.00 58.89 58.58 3b8h h TRP 558 Cb 1.34 -0.07 -0.07 0.00 -0.00 0.00 0.00 29.16 30.36 3b8h h TRP 558 CO 0.43 -0.01 0.36 -1.35 -0.00 0.00 0.00 178.44 177.87 3b8h h PRO 559 N 0.37 0.60 -0.36 0.49 0.11 -1.86 -0.39 132.00 130.96 3b8h h PRO 559 Ca 0.43 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.46 3b8h h PRO 559 Cb 0.70 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.66 3b8h h PRO 559 CO -0.46 0.40 0.05 1.25 -0.21 0.00 0.00 178.00 179.03 3b8h h LEU 560 N 0.62 0.58 -1.29 2.35 6.46 -0.71 -3.11 115.31 120.21 3b8h h LEU 560 Ca 0.34 -0.27 0.06 0.00 -0.12 0.00 0.00 57.88 57.89 3b8h h LEU 560 Cb 0.33 -0.15 -0.05 0.00 -0.73 0.00 0.00 40.66 40.06 3b8h h LEU 560 CO -0.25 0.70 0.52 0.00 -0.62 0.00 0.00 178.44 178.79 3b8h h ALA 561 N 0.90 1.63 0.00 1.25 0.00 0.35 -0.94 119.26 122.45 3b8h h ALA 561 Ca 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3b8h h ALA 561 Cb 0.38 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3b8h h ALA 561 CO 0.01 0.25 0.00 0.39 0.00 0.00 0.00 179.25 179.90 3b8h n GLU 562 N -4.48 0.91 -0.07 0.00 1.02 -0.24 -2.23 120.64 115.55 3b8h n GLU 562 Ca 0.12 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.30 3b8h n GLU 562 Cb 0.21 -1.37 0.08 0.00 -0.02 0.00 0.00 31.44 30.34 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 -0.87 1.62 -1.70 3.49 5.12 -0.36 -4.87 116.66 119.09 3b8h n ARG 563 Ca 0.16 -1.48 -0.30 0.00 -1.93 0.00 0.00 57.85 54.31 3b8h n ARG 563 Cb 0.07 -1.18 0.08 0.00 -1.16 0.00 0.00 32.46 30.27 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 -0.85 3.11 -0.10 0.55 -4.23 -0.95 -4.41 115.64 108.76 3b8h s THR 564 Ca 0.13 0.36 0.02 0.00 -1.18 0.00 0.00 61.69 61.02 3b8h s THR 564 Cb 0.08 -3.22 0.02 0.00 1.34 0.00 0.00 72.50 70.72 3b8h s THR 564 CO 0.11 -0.47 -0.14 -0.69 -0.54 0.00 0.00 174.62 172.88 3b8h s VAL 565 N -3.26 1.41 -0.09 2.29 1.01 0.10 -4.83 120.40 117.02 3b8h s VAL 565 Ca 0.60 -0.59 0.03 0.00 0.00 0.00 0.00 61.98 62.02 3b8h s VAL 565 Cb -0.13 -1.30 -0.01 0.00 0.00 0.00 0.00 36.38 34.94 3b8h s VAL 565 CO 0.53 0.42 -0.18 -0.69 0.00 0.00 0.00 175.10 175.19 3b8h s VAL 566 N 1.03 2.69 0.19 2.92 1.01 -1.26 -0.88 120.40 126.10 3b8h s VAL 566 Ca -0.06 -0.82 0.07 0.00 0.00 0.00 0.00 61.98 61.17 3b8h s VAL 566 Cb -0.15 -2.07 -0.05 0.00 0.00 0.00 0.00 36.38 34.12 3b8h s VAL 566 CO -0.02 0.55 -0.14 0.27 0.00 0.00 0.00 175.10 175.77 3b8h s ILE 567 N 0.00 1.67 0.60 2.22 -4.36 -0.33 -4.64 121.20 116.35 3b8h s ILE 567 Ca -0.06 -2.17 -0.19 0.00 -0.26 0.00 0.00 60.65 57.98 3b8h s ILE 567 Cb -0.15 -2.00 -0.03 0.00 1.25 0.00 0.00 42.46 41.54 3b8h s ILE 567 CO 0.05 -0.60 1.22 -2.84 0.24 0.00 0.00 174.94 173.02 3b8h s PRO 568 N -3.59 2.91 0.48 0.37 0.02 -1.26 0.72 135.00 134.65 3b8h s PRO 568 Ca 0.21 1.87 -0.10 0.00 0.02 0.00 0.00 61.00 63.00 3b8h s PRO 568 Cb -0.01 -1.92 -0.05 0.00 0.02 0.00 0.00 34.50 32.54 3b8h s PRO 568 CO 0.06 -1.27 0.86 0.45 -0.33 0.00 0.00 177.00 176.76 3b8h s SER 569 N -1.55 6.42 0.00 2.53 0.15 0.43 -4.51 113.70 117.17 3b8h s SER 569 Ca 0.78 1.20 0.28 0.00 0.70 0.00 0.00 55.95 58.91 3b8h s SER 569 Cb -0.32 -2.36 1.00 0.00 -1.71 0.00 0.00 66.02 62.63 3b8h s SER 569 CO 0.34 -0.56 1.71 0.00 1.20 0.00 0.00 173.24 175.93 3b8h n ALA 570 N -1.86 2.84 -2.62 5.45 0.00 -1.26 -4.79 120.51 118.27 3b8h n ALA 570 Ca 0.03 -0.38 -0.43 0.00 0.00 0.00 0.00 53.44 52.66 3b8h n ALA 570 Cb 0.54 -1.20 -0.03 0.00 0.00 0.00 0.00 19.45 18.76 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 4.53 0.57 0.00 1.01 -1.26 -4.83 121.20 118.90 3b8h s ILE 571 Ca 0.31 1.49 -0.14 0.00 0.00 0.00 0.00 60.65 62.31 3b8h s ILE 571 Cb 0.20 -4.39 -0.06 0.00 0.01 0.00 0.00 42.46 38.23 3b8h s ILE 571 CO 0.45 -0.52 1.01 -2.84 0.00 0.00 0.00 174.94 173.03 3b8h s PRO 572 N 3.61 3.76 0.24 2.79 0.02 -1.26 -4.42 135.00 139.74 3b8h s PRO 572 Ca 0.42 0.84 0.01 0.00 0.02 0.00 0.00 61.00 62.29 3b8h s PRO 572 Cb -0.12 -2.11 -0.04 0.00 0.02 0.00 0.00 34.50 32.26 3b8h s PRO 572 CO 0.17 -0.43 0.41 0.95 -0.33 0.00 0.00 177.00 177.78 3b8h s THR 573 N -2.92 5.20 -0.45 0.99 -4.23 -1.26 -4.99 115.64 107.98 3b8h s THR 573 Ca 0.57 -0.51 -0.17 0.00 -1.18 0.00 0.00 61.69 60.40 3b8h s THR 573 Cb -0.10 -3.78 0.04 0.00 1.34 0.00 0.00 72.50 69.99 3b8h s THR 573 CO 0.43 -0.28 0.45 -0.62 -0.54 0.00 0.00 174.62 174.07 3b8h s ASP 574 N -3.49 6.18 0.20 3.99 -1.08 -1.26 -4.92 116.67 116.29 3b8h s ASP 574 Ca 0.38 -0.88 0.23 0.00 -0.52 0.00 0.00 52.55 51.76 3b8h s ASP 574 Cb -0.10 -2.22 0.91 0.00 -1.46 0.00 0.00 42.92 40.04 3b8h s ASP 574 CO 0.30 -0.64 1.69 -0.81 0.52 0.00 0.00 175.17 176.23 3b8h n PRO 575 N 5.58 0.17 -0.20 4.34 -0.04 -1.26 -2.18 135.00 141.41 3b8h n PRO 575 Ca -0.09 0.35 0.06 0.00 -0.04 0.00 0.00 63.50 63.79 3b8h n PRO 575 Cb 0.46 -1.79 0.17 0.00 -0.04 0.00 0.00 33.50 32.30 3b8h n PRO 575 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3b8h n ARG 576 N -2.09 2.86 -2.73 0.54 1.74 -1.26 -4.59 116.66 111.13 3b8h n ARG 576 Ca 0.03 -2.12 -0.09 0.00 -0.77 0.00 0.00 57.85 54.90 3b8h n ARG 576 Cb 0.25 -1.30 0.07 0.00 -1.02 0.00 0.00 32.46 30.46 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 0.61 -0.57 -4.67 0.55 2.85 -0.92 -5.11 115.26 107.99 3b8h n ASN 577 Ca 0.13 -2.73 -0.42 0.00 -0.11 0.00 0.00 54.58 51.44 3b8h n ASN 577 Cb 0.45 0.45 -0.03 0.00 1.24 0.00 0.00 39.78 41.89 3b8h n ASN 577 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 3b8h s VAL 578 N -1.16 3.29 0.00 3.44 1.01 -1.12 -2.19 120.40 123.67 3b8h s VAL 578 Ca 0.25 0.53 0.00 0.00 0.00 0.00 0.00 61.98 62.76 3b8h s VAL 578 Cb 0.40 -3.34 0.00 0.00 0.00 0.00 0.00 36.38 33.44 3b8h s VAL 578 CO -0.04 -0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.64 3b8h n GLY 579 N 4.12 0.67 3.90 4.51 0.00 -1.26 -5.10 105.19 112.04 3b8h n GLY 579 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.41 1.61 0.35 -0.02 0.00 -0.93 -5.07 107.32 101.84 3b8h s GLY 580 Ca 0.00 -0.67 -0.08 0.00 0.00 0.00 0.00 44.72 43.97 3b8h s GLY 580 CO 0.00 -0.21 0.67 0.99 0.00 0.00 0.00 173.10 174.55 3b8h s ASP 581 N -4.55 6.50 0.00 1.64 1.11 -1.26 -4.89 116.67 115.22 3b8h s ASP 581 Ca 0.61 0.95 -0.30 0.00 0.18 0.00 0.00 52.55 54.00 3b8h s ASP 581 Cb -0.11 -2.25 -0.07 0.00 1.07 0.00 0.00 42.92 41.57 3b8h s ASP 581 CO 0.48 -0.30 1.67 -0.22 1.18 0.00 0.00 175.17 177.99 3b8h s LEU 582 N -3.67 4.35 -0.40 1.23 2.96 -1.26 -4.96 118.68 116.93 3b8h s LEU 582 Ca 0.48 2.37 -0.26 0.00 -0.22 0.00 0.00 54.13 56.50 3b8h s LEU 582 Cb -0.10 -3.55 0.02 0.00 0.50 0.00 0.00 46.19 43.06 3b8h s LEU 582 CO 0.30 -0.91 0.94 -0.62 -1.32 0.00 0.00 176.35 174.73 3b8h s ASP 583 N 3.04 6.63 0.46 3.68 2.15 -1.26 -4.92 116.67 126.44 3b8h s ASP 583 Ca 0.75 0.46 0.28 0.00 0.43 0.00 0.00 52.55 54.47 3b8h s ASP 583 Cb -0.37 -2.46 1.35 0.00 -0.30 0.00 0.00 42.92 41.14 3b8h s ASP 583 CO 0.32 -0.92 1.73 -0.65 -0.17 0.00 0.00 175.17 175.47 3b8h h PRO 584 N 8.66 0.18 0.00 4.34 0.11 -1.98 0.40 132.00 143.71 3b8h h PRO 584 Ca -0.23 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.87 3b8h h PRO 584 Cb 1.08 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3b8h h PRO 584 CO 1.00 0.12 0.00 -1.13 -0.21 0.00 0.00 178.00 177.78 3b8h n SER 585 N -4.48 0.00 -0.52 -2.05 3.41 -1.26 -1.51 113.62 107.20 3b8h n SER 585 Ca 0.30 0.29 0.13 0.00 -0.26 0.00 0.00 58.87 59.33 3b8h n SER 585 Cb 1.20 -0.40 0.40 0.00 -0.26 0.00 0.00 64.21 65.14 3b8h n SER 585 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3b8h n SER 586 N -1.40 1.71 -4.58 4.04 3.41 0.14 -4.79 113.62 112.14 3b8h n SER 586 Ca 0.06 -1.48 -0.42 0.00 -0.26 0.00 0.00 58.87 56.77 3b8h n SER 586 Cb 0.17 0.05 -0.06 0.00 -0.26 0.00 0.00 64.21 64.11 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 -2.11 4.81 0.04 -1.33 1.01 -0.57 -4.63 121.20 118.43 3b8h s ILE 587 Ca 0.33 0.77 -0.32 0.00 0.00 0.00 0.00 60.65 61.43 3b8h s ILE 587 Cb 0.20 -4.14 -0.11 0.00 0.01 0.00 0.00 42.46 38.42 3b8h s ILE 587 CO 0.37 -0.36 1.87 -2.65 0.00 0.00 0.00 174.94 174.18 3b8h n PRO 588 N 6.23 2.61 -0.30 2.79 -0.02 -1.26 -4.86 135.00 140.19 3b8h n PRO 588 Ca 0.01 0.95 0.24 0.00 -2.02 0.00 0.00 63.50 62.68 3b8h n PRO 588 Cb 0.48 -2.85 0.55 0.00 -0.02 0.00 0.00 33.50 31.67 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 9.17 0.36 -0.70 2.55 3.32 -1.95 0.14 116.42 129.32 3b8h h ASP 589 Ca -0.48 0.06 -0.08 0.00 0.02 0.00 0.00 57.03 56.55 3b8h h ASP 589 Cb 1.24 -0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.76 3b8h h ASP 589 CO 0.94 0.09 0.14 0.11 -1.72 0.00 0.00 179.24 178.80 3b8h h LYS 590 N 0.33 1.14 -0.37 3.56 1.57 -1.98 -2.16 116.57 118.65 3b8h h LYS 590 Ca 0.55 -0.29 -0.14 0.00 -1.87 0.00 0.00 60.65 58.90 3b8h h LYS 590 Cb 1.52 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.68 3b8h h LYS 590 CO -0.22 1.02 -0.34 1.49 -0.57 0.00 0.00 179.45 180.83 3b8h h GLU 591 N 1.07 0.84 -0.22 3.15 4.81 -1.12 -2.76 114.58 120.34 3b8h h GLU 591 Ca 0.21 -0.41 0.03 0.00 -0.13 0.00 0.00 59.36 59.06 3b8h h GLU 591 Cb 0.42 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 3b8h h GLU 591 CO 0.01 1.05 0.15 0.37 -0.73 0.00 0.00 179.01 179.86 3b8h h GLN 592 N 0.70 0.17 -0.06 1.92 5.75 -1.07 -2.42 115.11 120.09 3b8h h GLN 592 Ca 0.07 -0.01 -0.11 0.00 -0.15 0.00 0.00 58.65 58.45 3b8h h GLN 592 Cb 0.90 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 29.40 3b8h h GLN 592 CO 0.08 0.11 -0.47 0.00 -2.65 0.00 0.00 178.83 175.91 3b8h h ALA 593 N 1.88 1.10 -0.57 3.38 0.00 -1.09 -3.00 119.26 120.96 3b8h h ALA 593 Ca 0.09 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3b8h h ALA 593 Cb 0.15 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3b8h h ALA 593 CO -0.02 0.62 0.00 0.44 0.00 0.00 0.00 179.25 180.29 3b8h n ILE 594 N -3.98 2.06 -1.16 0.00 -5.35 -0.93 -4.49 119.36 105.52 3b8h n ILE 594 Ca -0.02 -1.32 -0.02 0.00 -0.27 0.00 0.00 62.75 61.12 3b8h n ILE 594 Cb 0.51 0.01 0.25 0.00 -1.74 0.00 0.00 39.64 38.67 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 0.78 3.81 -4.77 7.28 7.64 -1.10 -4.94 113.62 122.31 3b8h n SER 595 Ca 0.25 -3.35 -0.37 0.00 1.01 0.00 0.00 58.87 56.41 3b8h n SER 595 Cb 0.94 -0.66 -0.01 0.00 -1.01 0.00 0.00 64.21 63.46 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 -3.04 3.05 0.09 -0.43 0.00 -1.26 -5.02 121.76 115.15 3b8h s ALA 596 Ca 0.48 0.94 0.02 0.00 0.00 0.00 0.00 51.96 53.40 3b8h s ALA 596 Cb 0.40 -3.38 -0.04 0.00 0.00 0.00 0.00 23.12 20.11 3b8h s ALA 596 CO 0.08 -0.59 0.16 -0.51 0.00 0.00 0.00 175.76 174.90 3b8h s LEU 597 N -2.80 4.05 0.62 0.00 1.43 -1.26 -4.79 118.68 115.92 3b8h s LEU 597 Ca 0.61 0.09 -0.17 0.00 -1.03 0.00 0.00 54.13 53.62 3b8h s LEU 597 Cb -0.29 -2.68 -0.02 0.00 0.03 0.00 0.00 46.19 43.22 3b8h s LEU 597 CO 0.36 0.14 1.16 -2.84 0.23 0.00 0.00 176.35 175.40 3b8h s PRO 598 N -2.64 2.91 -0.39 1.29 0.02 -1.26 -4.96 135.00 129.96 3b8h s PRO 598 Ca 0.32 1.64 -0.29 0.00 0.02 0.00 0.00 61.00 62.69 3b8h s PRO 598 Cb -0.12 -1.94 0.02 0.00 0.02 0.00 0.00 34.50 32.48 3b8h s PRO 598 CO 0.25 -1.21 1.13 0.34 -0.33 0.00 0.00 177.00 177.18 3b8h s ASP 599 N -1.97 6.76 0.25 2.53 2.15 -1.26 -5.02 116.67 120.11 3b8h s ASP 599 Ca 0.73 0.79 -0.18 0.00 0.43 0.00 0.00 52.55 54.32 3b8h s ASP 599 Cb -0.26 -2.55 -0.08 0.00 -0.30 0.00 0.00 42.92 39.73 3b8h s ASP 599 CO 0.35 -1.08 0.72 -0.31 -0.17 0.00 0.00 175.17 174.68 3b8h s TYR 600 N 4.13 3.57 0.38 -5.34 2.02 -1.26 -5.05 117.35 115.81 3b8h s TYR 600 Ca 0.48 1.33 -0.26 0.00 -0.37 0.00 0.00 57.07 58.26 3b8h s TYR 600 Cb -0.10 -2.59 -0.09 0.00 -0.40 0.00 0.00 41.96 38.78 3b8h s TYR 600 CO 0.24 0.27 1.13 0.00 -1.57 0.00 0.00 175.55 175.62 3b8h s ALA 601 N -1.65 3.19 -1.38 3.71 0.00 -1.19 -4.71 121.76 119.73 3b8h s ALA 601 Ca 0.46 0.90 0.12 0.00 0.00 0.00 0.00 51.96 53.44 3b8h s ALA 601 Cb -0.15 -3.35 0.14 0.00 0.00 0.00 0.00 23.12 19.76 3b8h s ALA 601 CO 0.20 -0.40 0.96 -1.13 0.00 0.00 0.00 175.76 175.39 3b8h n SER 602 N 0.26 2.19 -4.23 0.00 3.41 -1.26 -1.08 113.62 112.91 3b8h n SER 602 Ca 0.03 -1.60 -0.20 0.00 -0.26 0.00 0.00 58.87 56.85 3b8h n SER 602 Cb 0.47 -0.05 -0.12 0.00 -0.26 0.00 0.00 64.21 64.25 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 -0.99 0.99 0.94 4.33 -1.52 -1.26 -4.89 119.66 117.26 3b8h s GLN 603 Ca 0.16 -1.13 -0.11 0.00 -1.95 0.00 0.00 55.36 52.33 3b8h s GLN 603 Cb 0.10 -1.03 0.13 0.00 -0.22 0.00 0.00 33.01 32.00 3b8h s GLN 603 CO 0.15 0.22 0.95 -2.30 -0.25 0.00 0.00 175.29 174.07 3b8h n PRO 604 N 0.92 -0.52 0.00 2.91 -0.02 -1.26 -5.02 135.00 132.00 3b8h n PRO 604 Ca -0.18 -0.09 0.15 0.00 -2.02 0.00 0.00 63.50 61.36 3b8h n PRO 604 Cb 0.55 -2.24 0.92 0.00 -0.02 0.00 0.00 33.50 32.71 3b8h n PRO 604 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89