#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a75 s THR 404 N 0.00 0.03 -0.05 12.58 -1.32 0.04 -4.73 115.64 122.19 3a75 s THR 404 Ca 0.00 -0.25 0.05 0.00 -1.21 0.00 0.00 61.69 60.27 3a75 s THR 404 Cb 0.00 -0.64 -0.00 0.00 -1.51 0.00 0.00 72.50 70.35 3a75 s THR 404 CO 0.00 -0.14 -0.19 -2.28 -2.21 0.00 0.00 174.62 169.80 3a75 s HIS 405 N -0.76 1.91 0.14 9.09 5.04 -1.26 -1.38 115.29 128.08 3a75 s HIS 405 Ca -0.08 -0.58 -0.02 0.00 -1.54 0.00 0.00 55.06 52.84 3a75 s HIS 405 Cb -0.04 -1.28 -0.04 0.00 0.04 0.00 0.00 32.58 31.26 3a75 s HIS 405 CO 0.03 -0.20 0.08 -0.59 -2.34 0.00 0.00 174.74 171.72 3a75 s PHE 406 N 0.05 0.85 0.00 3.88 -0.12 -0.62 -4.59 117.98 117.43 3a75 s PHE 406 Ca -0.05 -1.21 -0.16 0.00 -0.05 0.00 0.00 56.93 55.46 3a75 s PHE 406 Cb -0.13 -0.45 0.03 0.00 -0.63 0.00 0.00 43.02 41.84 3a75 s PHE 406 CO 0.03 -0.54 0.33 -0.08 -0.05 0.00 0.00 175.22 174.91 3a75 s THR 407 N -4.05 0.06 -0.03 -4.49 -1.32 -1.26 -1.64 115.64 102.91 3a75 s THR 407 Ca 0.25 -0.50 -0.04 0.00 -1.21 0.00 0.00 61.69 60.18 3a75 s THR 407 Cb 0.07 -0.73 0.01 0.00 -1.51 0.00 0.00 72.50 70.34 3a75 s THR 407 CO 0.02 -0.27 0.11 -0.69 -2.21 0.00 0.00 174.62 171.58 3a75 s VAL 408 N -1.66 0.02 -0.00 5.08 1.01 -0.46 -5.00 120.40 119.39 3a75 s VAL 408 Ca -0.11 -0.19 0.01 0.00 0.00 0.00 0.00 61.98 61.68 3a75 s VAL 408 Cb -0.04 -0.23 -0.00 0.00 0.00 0.00 0.00 36.38 36.11 3a75 s VAL 408 CO 0.02 -0.11 -0.02 0.00 0.00 0.00 0.00 175.10 175.00 3a75 s ALA 409 N -0.32 0.15 0.47 5.51 0.00 -1.26 -0.58 121.76 125.74 3a75 s ALA 409 Ca -0.04 -0.07 0.04 0.00 0.00 0.00 0.00 51.96 51.89 3a75 s ALA 409 Cb -0.03 -0.04 -0.03 0.00 0.00 0.00 0.00 23.12 23.02 3a75 s ALA 409 CO 0.00 0.03 0.04 0.16 0.00 0.00 0.00 175.76 176.00 3a75 s ASP 410 N -0.02 4.10 0.52 0.00 1.47 -0.97 -5.03 116.67 116.74 3a75 s ASP 410 Ca 0.00 -1.49 0.23 0.00 1.18 0.00 0.00 52.55 52.47 3a75 s ASP 410 Cb -0.01 0.13 1.36 0.00 -0.34 0.00 0.00 42.92 44.06 3a75 s ASP 410 CO -0.00 -0.71 2.02 0.03 0.68 0.00 0.00 175.17 177.19 3a75 h ARG 411 N 1.46 0.02 -0.01 2.11 3.08 -1.99 -2.79 114.38 116.26 3a75 h ARG 411 Ca -0.43 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.61 3a75 h ARG 411 Cb 1.28 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.33 3a75 h ARG 411 CO 0.75 0.01 -0.02 0.91 -1.07 0.00 0.00 179.97 180.55 3a75 n TRP 412 N -4.41 0.00 0.00 3.04 8.01 -1.26 -4.91 117.44 117.91 3a75 n TRP 412 Ca 0.07 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.26 3a75 n TRP 412 Cb 0.50 -0.02 0.00 0.00 -2.01 0.00 0.00 31.31 29.78 3a75 n TRP 412 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3a75 n GLY 413 N 1.15 0.17 3.77 6.99 0.00 -1.05 -5.06 105.19 111.15 3a75 n GLY 413 Ca 0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 3a75 n GLY 413 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3a75 s ASN 414 N -2.08 6.45 -0.01 1.61 -0.87 -1.26 -4.88 114.94 113.90 3a75 s ASN 414 Ca 0.00 2.27 0.01 0.00 -1.57 0.00 0.00 52.86 53.57 3a75 s ASN 414 Cb 0.00 -2.60 0.01 0.00 -0.02 0.00 0.00 41.25 38.63 3a75 s ASN 414 CO 0.00 -0.72 -0.03 -0.69 -2.57 0.00 0.00 177.10 173.09 3a75 s VAL 415 N -1.51 0.30 -0.06 1.60 1.01 -1.26 -2.30 120.40 118.18 3a75 s VAL 415 Ca 0.59 -0.10 0.04 0.00 0.00 0.00 0.00 61.98 62.52 3a75 s VAL 415 Cb -0.28 -0.30 0.00 0.00 0.00 0.00 0.00 36.38 35.80 3a75 s VAL 415 CO 0.35 0.12 -0.18 -0.69 0.00 0.00 0.00 175.10 174.70 3a75 s VAL 416 N 0.31 1.51 -0.14 2.92 1.01 0.26 -5.00 120.40 121.27 3a75 s VAL 416 Ca -0.03 -0.74 -0.02 0.00 0.00 0.00 0.00 61.98 61.20 3a75 s VAL 416 Cb -0.06 -1.31 0.04 0.00 0.00 0.00 0.00 36.38 35.05 3a75 s VAL 416 CO -0.01 0.43 0.00 -0.55 0.00 0.00 0.00 175.10 174.98 3a75 s SER 417 N 0.23 2.33 -0.10 3.32 0.15 -1.26 -1.35 113.70 117.02 3a75 s SER 417 Ca -0.09 -0.48 -0.02 0.00 0.70 0.00 0.00 55.95 56.06 3a75 s SER 417 Cb -0.14 -0.59 0.04 0.00 -1.71 0.00 0.00 66.02 63.61 3a75 s SER 417 CO 0.04 -0.23 0.01 -0.47 1.20 0.00 0.00 173.24 173.79 3a75 s TYR 418 N 1.86 0.73 -0.10 3.44 6.14 -0.65 -4.81 117.35 123.95 3a75 s TYR 418 Ca 0.02 -0.31 -0.02 0.00 0.64 0.00 0.00 57.07 57.40 3a75 s TYR 418 Cb -0.15 -0.85 -0.03 0.00 0.42 0.00 0.00 41.96 41.36 3a75 s TYR 418 CO -0.07 -0.39 -0.02 0.99 0.64 0.00 0.00 175.55 176.70 3a75 s THR 419 N 1.95 4.10 0.02 4.34 2.01 -1.26 -1.59 115.64 125.21 3a75 s THR 419 Ca 0.04 -0.31 -0.09 0.00 0.31 0.00 0.00 61.69 61.64 3a75 s THR 419 Cb -0.13 -2.74 0.00 0.00 0.01 0.00 0.00 72.50 69.64 3a75 s THR 419 CO -0.06 0.57 0.17 0.28 -0.69 0.00 0.00 174.62 174.89 3a75 s THR 420 N -0.50 0.10 0.24 -0.82 -1.32 -0.48 -4.99 115.64 107.87 3a75 s THR 420 Ca 0.08 -0.81 -0.22 0.00 -1.21 0.00 0.00 61.69 59.54 3a75 s THR 420 Cb -0.12 -0.70 0.04 0.00 -1.51 0.00 0.00 72.50 70.20 3a75 s THR 420 CO 0.02 -0.44 0.73 0.28 -2.21 0.00 0.00 174.62 172.99 3a75 s THR 421 N -2.02 0.00 -0.03 5.08 -1.32 -1.26 -0.78 115.64 115.31 3a75 s THR 421 Ca -0.09 -0.75 0.04 0.00 -1.21 0.00 0.00 61.69 59.67 3a75 s THR 421 Cb -0.04 -1.79 0.06 0.00 -1.51 0.00 0.00 72.50 69.22 3a75 s THR 421 CO -0.01 0.00 0.95 2.30 -2.21 0.00 0.00 174.62 175.65 3a75 n ILE 422 N -0.44 0.96 0.00 5.08 -5.35 -1.26 -4.97 119.36 113.38 3a75 n ILE 422 Ca -0.07 -1.03 0.00 0.00 -0.27 0.00 0.00 62.75 61.38 3a75 n ILE 422 Cb 0.60 0.44 0.00 0.00 -1.74 0.00 0.00 39.64 38.94 3a75 n ILE 422 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 3a75 n GLU 423 N -0.58 0.00 -0.83 6.28 0.00 -1.26 -2.14 120.64 122.11 3a75 n GLU 423 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 57.16 56.90 3a75 n GLU 423 Cb 0.39 0.00 0.21 0.00 0.00 0.00 0.00 31.44 32.04 3a75 n GLU 423 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.13 176.48 3a75 s GLN 424 N 0.00 -0.17 0.09 5.31 -1.52 -1.26 -4.29 119.66 117.82 3a75 s GLN 424 Ca 0.00 0.76 -0.31 0.00 -1.95 0.00 0.00 55.36 53.86 3a75 s GLN 424 Cb 0.00 -1.65 -0.08 0.00 -0.22 0.00 0.00 33.01 31.06 3a75 s GLN 424 CO 0.00 -3.20 1.54 -0.51 -0.25 0.00 0.00 175.29 172.88 3a75 s LEU 425 N -6.84 4.36 -0.28 2.90 1.02 -1.26 -0.62 118.68 117.97 3a75 s LEU 425 Ca 0.67 2.43 0.00 0.00 0.02 0.00 0.00 54.13 57.24 3a75 s LEU 425 Cb -0.22 -3.57 0.00 0.00 0.02 0.00 0.00 46.19 42.42 3a75 s LEU 425 CO 0.61 -0.80 0.00 0.49 0.02 0.00 0.00 176.35 176.67 3a75 n PHE 426 N 4.89 0.00 0.00 0.29 3.01 -1.26 -4.83 117.46 119.56 3a75 n PHE 426 Ca 0.14 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.60 3a75 n PHE 426 Cb 0.41 -1.31 0.00 0.00 -0.01 0.00 0.00 39.48 38.57 3a75 n PHE 426 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3a75 n GLY 427 N -1.02 3.23 0.21 1.37 0.00 0.21 -0.36 105.19 108.83 3a75 n GLY 427 Ca -0.03 -0.04 0.15 0.00 0.00 0.00 0.00 46.02 46.10 3a75 n GLY 427 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3a75 h THR 428 N 0.00 0.00 0.00 2.61 1.35 -1.26 -3.42 112.91 112.19 3a75 h THR 428 Ca 0.00 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 3a75 h THR 428 Cb 0.00 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 67.68 3a75 h THR 428 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 3a75 n GLY 429 N 0.03 1.33 3.71 5.82 0.00 0.52 -5.05 105.19 111.54 3a75 n GLY 429 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 3a75 n GLY 429 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a75 s ILE 430 N -2.48 4.83 -0.07 -0.61 1.01 -1.26 -4.93 121.20 117.69 3a75 s ILE 430 Ca 0.00 2.04 0.03 0.00 0.00 0.00 0.00 60.65 62.72 3a75 s ILE 430 Cb 0.00 -4.31 -0.02 0.00 0.01 0.00 0.00 42.46 38.14 3a75 s ILE 430 CO 0.00 0.13 -0.16 -0.32 0.00 0.00 0.00 174.94 174.59 3a75 s MET 431 N 1.22 2.76 -0.32 2.79 1.75 -1.26 -0.48 119.30 125.77 3a75 s MET 431 Ca 0.51 -0.73 -0.28 0.00 -1.25 0.00 0.00 55.69 53.95 3a75 s MET 431 Cb -0.21 -2.42 -0.03 0.00 2.84 0.00 0.00 34.83 35.02 3a75 s MET 431 CO 0.26 0.47 1.98 0.08 -0.65 0.00 0.00 175.02 177.15 3a75 s VAL 432 N -0.33 3.29 0.16 10.11 1.01 -0.24 -4.86 120.40 129.53 3a75 s VAL 432 Ca 0.03 0.28 -0.34 0.00 0.00 0.00 0.00 61.98 61.95 3a75 s VAL 432 Cb -0.13 -3.42 -0.15 0.00 0.00 0.00 0.00 36.38 32.69 3a75 s VAL 432 CO 0.02 -0.29 1.37 -0.81 0.00 0.00 0.00 175.10 175.40 3a75 n PRO 433 N 8.62 1.60 -0.75 2.72 -0.04 -1.26 -0.28 135.00 145.60 3a75 n PRO 433 Ca 0.26 0.57 0.00 0.00 -0.04 0.00 0.00 63.50 64.29 3a75 n PRO 433 Cb 0.47 -2.21 0.00 0.00 -0.04 0.00 0.00 33.50 31.72 3a75 n PRO 433 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3a75 n ASP 434 N 2.52 0.00 0.00 3.54 8.00 -1.26 -4.80 116.55 124.55 3a75 n ASP 434 Ca 0.16 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.66 3a75 n ASP 434 Cb 0.26 -0.43 0.00 0.00 -0.02 0.00 0.00 41.12 40.93 3a75 n ASP 434 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3a75 n TYR 435 N -2.00 0.00 -1.02 1.24 4.01 0.61 -5.04 117.16 114.97 3a75 n TYR 435 Ca 0.00 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.72 3a75 n TYR 435 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.02 3a75 n TYR 435 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3a75 n GLY 436 N 0.12 0.17 3.59 2.72 0.00 -1.01 -4.93 105.19 105.85 3a75 n GLY 436 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3a75 n GLY 436 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a75 s VAL 437 N -1.12 4.92 0.08 1.61 1.01 -1.26 -4.86 120.40 120.77 3a75 s VAL 437 Ca 0.00 0.72 -0.30 0.00 0.00 0.00 0.00 61.98 62.40 3a75 s VAL 437 Cb 0.00 -4.03 -0.05 0.00 0.00 0.00 0.00 36.38 32.30 3a75 s VAL 437 CO 0.00 -0.21 1.04 -0.63 0.00 0.00 0.00 175.10 175.30 3a75 s ILE 438 N 2.64 4.41 -0.06 2.22 1.01 -1.26 -1.08 121.20 129.08 3a75 s ILE 438 Ca 0.24 1.86 -0.12 0.00 0.00 0.00 0.00 60.65 62.64 3a75 s ILE 438 Cb -0.15 -4.19 -0.05 0.00 0.01 0.00 0.00 42.46 38.08 3a75 s ILE 438 CO 0.13 0.22 0.30 -0.76 0.00 0.00 0.00 174.94 174.83 3a75 s LEU 439 N 0.48 4.42 0.89 2.97 1.43 0.37 -4.99 118.68 124.25 3a75 s LEU 439 Ca 0.51 0.74 -0.10 0.00 -1.03 0.00 0.00 54.13 54.25 3a75 s LEU 439 Cb -0.25 -2.38 0.13 0.00 0.03 0.00 0.00 46.19 43.73 3a75 s LEU 439 CO 0.30 0.33 1.13 0.54 0.23 0.00 0.00 176.35 178.88 3a75 s ASN 440 N -0.90 3.19 -0.20 2.29 2.20 -1.26 -1.06 114.94 119.20 3a75 s ASN 440 Ca 0.20 2.10 0.12 0.00 -0.94 0.00 0.00 52.86 54.34 3a75 s ASN 440 Cb -0.15 -2.55 0.43 0.00 -2.00 0.00 0.00 41.25 36.99 3a75 s ASN 440 CO 0.09 -2.92 1.20 -0.46 -2.94 0.00 0.00 177.10 172.07 3a75 n ASN 441 N -4.11 2.26 -0.32 3.54 0.23 -0.91 -4.18 115.26 111.76 3a75 n ASN 441 Ca 0.11 -3.59 0.16 0.00 -0.53 0.00 0.00 54.58 50.73 3a75 n ASN 441 Cb 0.52 -0.46 0.39 0.00 -2.08 0.00 0.00 39.78 38.15 3a75 n ASN 441 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 3a75 h GLU 442 N 1.29 0.62 0.00 -3.83 4.57 -1.93 -1.51 114.58 113.78 3a75 h GLU 442 Ca 0.04 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3a75 h GLU 442 Cb 1.22 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.67 3a75 h GLU 442 CO 0.17 0.41 0.02 1.28 -1.18 0.00 0.00 179.01 179.71 3a75 n LEU 443 N -4.68 0.54 0.00 1.64 4.77 -1.26 -0.74 117.00 117.28 3a75 n LEU 443 Ca 0.22 0.75 0.12 0.00 -0.03 0.00 0.00 56.01 57.07 3a75 n LEU 443 Cb 0.63 -0.81 0.65 0.00 -2.33 0.00 0.00 43.42 41.57 3a75 n LEU 443 CO 0.24 -0.93 0.92 0.35 -1.33 0.00 0.00 177.39 176.64 3a75 n THR 444 N -2.24 0.17 0.83 -5.08 -2.24 -0.57 -1.90 114.28 103.25 3a75 n THR 444 Ca -0.01 0.04 0.12 0.00 -2.27 0.00 0.00 64.05 61.93 3a75 n THR 444 Cb 0.05 -0.64 0.52 0.00 -2.10 0.00 0.00 70.33 68.17 3a75 n THR 444 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3a75 n ASP 445 N -1.23 0.12 -4.80 3.42 9.92 0.08 -4.75 116.55 119.31 3a75 n ASP 445 Ca 0.13 0.52 -0.30 0.00 -0.53 0.00 0.00 54.79 54.61 3a75 n ASP 445 Cb 0.17 -0.55 0.09 0.00 -0.64 0.00 0.00 41.12 40.20 3a75 n ASP 445 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 3a75 s PHE 446 N -3.02 2.84 0.29 1.24 0.08 -0.80 -4.29 117.98 114.33 3a75 s PHE 446 Ca 0.12 1.21 -0.29 0.00 0.12 0.00 0.00 56.93 58.08 3a75 s PHE 446 Cb 0.16 -3.09 -0.10 0.00 -0.57 0.00 0.00 43.02 39.42 3a75 s PHE 446 CO 0.48 -1.73 1.27 -0.51 -0.10 0.00 0.00 175.22 174.63 3a75 s ASP 447 N -3.85 6.89 0.10 1.36 1.01 0.91 -4.94 116.67 118.15 3a75 s ASP 447 Ca 0.60 2.55 -0.11 0.00 0.71 0.00 0.00 52.55 56.31 3a75 s ASP 447 Cb -0.15 -2.64 -0.16 0.00 1.01 0.00 0.00 42.92 40.99 3a75 s ASP 447 CO 0.55 -0.46 1.28 0.00 0.21 0.00 0.00 175.17 176.74 3a75 h ALA 448 N 3.90 0.27 -2.50 5.23 0.00 -1.89 -3.39 119.26 120.88 3a75 h ALA 448 Ca -0.48 -0.65 -0.63 0.00 0.00 0.00 0.00 54.91 53.16 3a75 h ALA 448 Cb 1.22 0.01 -0.14 0.00 0.00 0.00 0.00 17.79 18.88 3a75 h ALA 448 CO 0.68 0.71 0.00 0.42 0.00 0.00 0.00 179.25 181.06 3a75 s ILE 449 N -3.53 5.02 1.23 0.00 1.01 -1.26 -5.00 121.20 118.67 3a75 s ILE 449 Ca -0.09 0.68 -0.18 0.00 0.00 0.00 0.00 60.65 61.05 3a75 s ILE 449 Cb 0.08 -3.91 0.29 0.00 0.01 0.00 0.00 42.46 38.94 3a75 s ILE 449 CO 0.90 -0.07 1.04 -2.16 0.00 0.00 0.00 174.94 174.66 3a75 s PRO 450 N 2.40 -1.42 0.00 2.79 0.04 -1.26 -4.55 135.00 133.00 3a75 s PRO 450 Ca 0.21 0.21 0.00 0.00 0.04 0.00 0.00 61.00 61.46 3a75 s PRO 450 Cb -0.15 -1.55 0.00 0.00 0.04 0.00 0.00 34.50 32.84 3a75 s PRO 450 CO 0.11 -3.90 0.00 0.41 0.04 0.00 0.00 177.00 173.66 3a75 n GLY 451 N -0.06 2.05 3.34 0.56 0.00 -1.26 -5.03 105.19 104.80 3a75 n GLY 451 Ca 0.10 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.95 3a75 n GLY 451 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a75 n GLY 452 N -0.38 1.84 0.38 -0.02 0.00 -1.26 -4.97 105.19 100.77 3a75 n GLY 452 Ca 0.00 -2.20 0.14 0.00 0.00 0.00 0.00 46.02 43.97 3a75 n GLY 452 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a75 h ALA 453 N 0.10 2.01 -0.78 4.61 0.00 -1.98 -2.20 119.26 121.01 3a75 h ALA 453 Ca -0.24 0.01 -0.47 0.00 0.00 0.00 0.00 54.91 54.22 3a75 h ALA 453 Cb 1.07 -0.08 -0.26 0.00 0.00 0.00 0.00 17.79 18.51 3a75 h ALA 453 CO 0.33 -0.23 0.34 -1.71 0.00 0.00 0.00 179.25 177.98 3a75 n ASN 454 N -4.51 4.50 -4.80 0.00 5.15 -1.26 -4.99 115.26 109.34 3a75 n ASN 454 Ca 0.16 -3.73 -0.33 0.00 -0.60 0.00 0.00 54.58 50.08 3a75 n ASN 454 Cb 0.52 -0.76 0.01 0.00 -0.53 0.00 0.00 39.78 39.01 3a75 n ASN 454 CO 0.00 0.00 0.00 -1.83 1.40 0.00 0.00 177.26 176.83 3a75 s GLU 455 N -3.46 3.36 0.27 1.20 -1.05 -0.83 -0.06 118.70 118.13 3a75 s GLU 455 Ca 0.55 1.23 -0.29 0.00 -0.15 0.00 0.00 54.97 56.31 3a75 s GLU 455 Cb 0.46 -2.04 -0.10 0.00 -0.44 0.00 0.00 34.13 32.02 3a75 s GLU 455 CO 0.04 -0.78 1.29 0.08 0.95 0.00 0.00 175.26 176.84 3a75 s VAL 456 N -2.38 3.01 -0.01 1.83 1.01 -1.26 -4.83 120.40 117.77 3a75 s VAL 456 Ca 0.64 0.93 -0.08 0.00 0.00 0.00 0.00 61.98 63.47 3a75 s VAL 456 Cb -0.16 -3.59 0.01 0.00 0.00 0.00 0.00 36.38 32.63 3a75 s VAL 456 CO 0.35 0.19 0.17 -1.10 0.00 0.00 0.00 175.10 174.70 3a75 s GLN 457 N -1.00 0.48 0.29 2.72 -1.52 -1.26 -5.02 119.66 114.35 3a75 s GLN 457 Ca 0.52 -0.28 -0.30 0.00 -1.95 0.00 0.00 55.36 53.34 3a75 s GLN 457 Cb -0.37 0.20 -0.12 0.00 -0.22 0.00 0.00 33.01 32.50 3a75 s GLN 457 CO 0.45 -0.11 1.51 -2.30 -0.25 0.00 0.00 175.29 174.58 3a75 n PRO 458 N 1.61 2.46 -0.95 2.91 -0.02 -1.26 -2.09 135.00 137.67 3a75 n PRO 458 Ca -0.21 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 3a75 n PRO 458 Cb 0.56 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 3a75 n PRO 458 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3a75 n ASN 459 N 1.93 -4.47 -4.91 2.55 4.05 -1.26 -5.00 115.26 108.16 3a75 n ASN 459 Ca 0.09 0.00 -0.28 0.00 0.45 0.00 0.00 54.58 54.84 3a75 n ASN 459 Cb 0.35 -2.60 -0.02 0.00 1.23 0.00 0.00 39.78 38.74 3a75 n ASN 459 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 177.26 173.46 3a75 s LYS 460 N -1.38 3.60 -0.11 1.20 2.20 -0.89 -5.09 119.74 119.28 3a75 s LYS 460 Ca 0.00 0.00 -0.04 0.00 -0.36 0.00 0.00 55.97 55.57 3a75 s LYS 460 Cb 0.00 -2.59 -0.04 0.00 -1.51 0.00 0.00 37.83 33.69 3a75 s LYS 460 CO 0.00 0.12 0.05 1.03 -0.36 0.00 0.00 175.35 176.19 3a75 s ARG 461 N -3.88 3.26 0.25 4.03 0.52 -1.26 -4.85 118.95 117.02 3a75 s ARG 461 Ca 0.44 -0.32 -0.30 0.00 -0.52 0.00 0.00 55.73 55.03 3a75 s ARG 461 Cb -0.10 -2.96 -0.09 0.00 0.52 0.00 0.00 34.95 32.31 3a75 s ARG 461 CO 0.33 0.65 1.19 -1.25 0.02 0.00 0.00 175.30 176.24 3a75 s PRO 462 N -0.72 4.52 0.13 3.54 0.04 -1.26 -4.95 135.00 136.29 3a75 s PRO 462 Ca 0.12 1.92 -0.35 0.00 0.04 0.00 0.00 61.00 62.73 3a75 s PRO 462 Cb -0.12 -3.19 -0.15 0.00 0.04 0.00 0.00 34.50 31.08 3a75 s PRO 462 CO 0.02 -0.00 1.44 -0.11 0.04 0.00 0.00 177.00 178.39 3a75 n LEU 463 N 1.71 2.30 -4.79 -3.56 7.94 -1.26 -4.94 117.00 114.40 3a75 n LEU 463 Ca 0.02 1.11 -0.23 0.00 -1.11 0.00 0.00 56.01 55.79 3a75 n LEU 463 Cb 0.44 -1.30 -0.05 0.00 0.53 0.00 0.00 43.42 43.04 3a75 n LEU 463 CO 0.56 -0.72 -0.11 -0.55 -1.11 0.00 0.00 177.39 175.46 3a75 s SER 464 N 0.64 4.76 0.00 1.96 0.15 -1.26 -4.79 113.70 115.15 3a75 s SER 464 Ca 0.81 -0.84 0.00 0.00 0.70 0.00 0.00 55.95 56.62 3a75 s SER 464 Cb -0.82 -0.61 0.00 0.00 -1.71 0.00 0.00 66.02 62.87 3a75 s SER 464 CO 0.43 -0.50 0.45 -1.20 1.20 0.00 0.00 173.24 173.63 3a75 n SER 465 N -1.32 0.91 -4.69 5.45 7.64 -1.26 -5.05 113.62 115.29 3a75 n SER 465 Ca -0.00 -0.96 -0.44 0.00 1.01 0.00 0.00 58.87 58.47 3a75 n SER 465 Cb 0.62 0.07 -0.04 0.00 -1.01 0.00 0.00 64.21 63.86 3a75 n SER 465 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 3a75 n MET 466 N -0.07 2.49 -2.94 1.43 2.81 -1.26 -4.27 117.12 115.31 3a75 n MET 466 Ca 0.00 0.90 -0.23 0.00 -1.81 0.00 0.00 57.70 56.56 3a75 n MET 466 Cb 0.01 -2.72 -0.03 0.00 -0.71 0.00 0.00 33.22 29.77 3a75 n MET 466 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 3a75 n THR 467 N 3.95 1.86 -1.80 2.03 -1.04 -1.26 -5.06 114.28 112.95 3a75 n THR 467 Ca 0.17 -5.03 -0.42 0.00 -2.04 0.00 0.00 64.05 56.74 3a75 n THR 467 Cb 0.32 -0.89 -0.02 0.00 -1.82 0.00 0.00 70.33 67.92 3a75 n THR 467 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 3a75 s PRO 468 N -3.14 4.15 0.02 -2.82 0.04 -1.26 -4.51 135.00 127.47 3a75 s PRO 468 Ca 0.45 2.54 -0.01 0.00 0.04 0.00 0.00 61.00 64.02 3a75 s PRO 468 Cb 0.33 -3.07 -0.02 0.00 0.04 0.00 0.00 34.50 31.78 3a75 s PRO 468 CO -0.11 -0.67 -0.01 0.99 0.04 0.00 0.00 177.00 177.23 3a75 s THR 469 N 0.71 0.10 -0.04 1.26 2.01 0.10 -5.02 115.64 114.77 3a75 s THR 469 Ca 0.69 -0.83 0.02 0.00 0.31 0.00 0.00 61.69 61.89 3a75 s THR 469 Cb -0.48 -0.26 0.01 0.00 0.01 0.00 0.00 72.50 71.79 3a75 s THR 469 CO 0.38 -0.45 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.14 3a75 s ILE 470 N -1.35 0.80 -0.06 1.82 1.01 -1.26 -1.03 121.20 121.13 3a75 s ILE 470 Ca -0.15 -0.32 -0.01 0.00 0.00 0.00 0.00 60.65 60.17 3a75 s ILE 470 Cb -0.09 -0.75 -0.03 0.00 0.01 0.00 0.00 42.46 41.60 3a75 s ILE 470 CO -0.01 0.27 0.02 -0.76 0.00 0.00 0.00 174.94 174.46 3a75 s LEU 471 N 0.53 3.65 0.09 2.97 1.02 0.21 -4.98 118.68 122.17 3a75 s LEU 471 Ca -0.09 0.13 0.09 0.00 0.02 0.00 0.00 54.13 54.29 3a75 s LEU 471 Cb -0.12 -1.94 -0.03 0.00 0.02 0.00 0.00 46.19 44.12 3a75 s LEU 471 CO 0.01 0.35 -0.25 -0.36 0.02 0.00 0.00 176.35 176.12 3a75 s PHE 472 N -0.98 2.12 -0.09 0.29 0.08 -1.26 0.06 117.98 118.20 3a75 s PHE 472 Ca 0.16 -0.40 -0.01 0.00 0.12 0.00 0.00 56.93 56.80 3a75 s PHE 472 Cb -0.11 -1.20 0.03 0.00 -0.57 0.00 0.00 43.02 41.17 3a75 s PHE 472 CO 0.06 0.21 -0.00 0.21 -0.10 0.00 0.00 175.22 175.60 3a75 s LYS 473 N -1.66 0.72 -1.35 0.44 2.47 -0.34 -4.77 119.74 115.25 3a75 s LYS 473 Ca 0.11 0.00 -0.05 0.00 -1.56 0.00 0.00 55.97 54.46 3a75 s LYS 473 Cb -0.10 -1.19 0.02 0.00 -1.46 0.00 0.00 37.83 35.11 3a75 s LYS 473 CO 0.04 -0.34 0.95 -0.25 0.16 0.00 0.00 175.35 175.91 3a75 n ASP 474 N 5.11 -3.46 0.00 1.43 8.00 -1.26 -2.28 116.55 124.10 3a75 n ASP 474 Ca -0.08 -0.70 0.00 0.00 0.71 0.00 0.00 54.79 54.73 3a75 n ASP 474 Cb 0.50 -4.51 0.00 0.00 -0.02 0.00 0.00 41.12 37.09 3a75 n ASP 474 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3a75 n ASP 475 N -3.01 -3.89 -4.60 -2.24 8.00 -1.26 -4.99 116.55 104.55 3a75 n ASP 475 Ca -0.15 0.00 -0.34 0.00 0.71 0.00 0.00 54.79 55.02 3a75 n ASP 475 Cb 0.61 -2.55 -0.11 0.00 -0.02 0.00 0.00 41.12 39.05 3a75 n ASP 475 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3a75 s LYS 476 N -1.32 2.78 0.23 -1.24 1.02 -0.97 -5.07 119.74 115.17 3a75 s LYS 476 Ca 0.00 -0.53 -0.30 0.00 0.02 0.00 0.00 55.97 55.16 3a75 s LYS 476 Cb 0.00 -2.63 -0.09 0.00 -0.52 0.00 0.00 37.83 34.59 3a75 s LYS 476 CO 0.00 0.67 1.39 -1.25 -0.92 0.00 0.00 175.35 175.23 3a75 s PRO 477 N -0.88 4.32 0.00 -1.68 0.04 -1.26 -1.19 135.00 134.35 3a75 s PRO 477 Ca 0.13 2.20 0.00 0.00 0.04 0.00 0.00 61.00 63.37 3a75 s PRO 477 Cb -0.11 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.28 3a75 s PRO 477 CO 0.02 -0.35 0.00 1.33 0.04 0.00 0.00 177.00 178.04 3a75 n VAL 478 N 2.48 0.00 -3.63 -0.36 0.24 0.11 -4.67 118.33 112.49 3a75 n VAL 478 Ca 0.07 -0.21 -0.15 0.00 -2.04 0.00 0.00 64.34 62.00 3a75 n VAL 478 Cb 0.41 0.79 -0.07 0.00 -1.47 0.00 0.00 33.84 33.49 3a75 n VAL 478 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 3a75 s LEU 479 N -1.44 -0.41 0.06 1.34 2.96 -0.98 -1.18 118.68 119.03 3a75 s LEU 479 Ca 0.00 1.09 0.08 0.00 -0.22 0.00 0.00 54.13 55.09 3a75 s LEU 479 Cb 0.00 2.21 -0.03 0.00 0.50 0.00 0.00 46.19 48.87 3a75 s LEU 479 CO 0.00 -0.32 -0.23 -0.89 -1.32 0.00 0.00 176.35 173.59 3a75 s THR 480 N -0.09 1.86 -0.03 3.68 2.01 -0.38 0.63 115.64 123.32 3a75 s THR 480 Ca -0.03 -1.36 -0.13 0.00 0.31 0.00 0.00 61.69 60.49 3a75 s THR 480 Cb -0.04 -1.62 0.02 0.00 0.01 0.00 0.00 72.50 70.88 3a75 s THR 480 CO 0.03 0.20 0.28 -0.69 -0.69 0.00 0.00 174.62 173.74 3a75 s VAL 481 N -0.88 0.05 0.01 3.82 1.01 -0.20 -3.17 120.40 121.03 3a75 s VAL 481 Ca 0.09 -0.42 -0.30 0.00 0.00 0.00 0.00 61.98 61.36 3a75 s VAL 481 Cb -0.09 -0.55 0.11 0.00 0.00 0.00 0.00 36.38 35.85 3a75 s VAL 481 CO 0.03 -0.23 1.21 -0.83 0.00 0.00 0.00 175.10 175.28 3a75 s GLY 482 N -1.05 -0.37 -0.07 4.51 0.00 -1.25 -0.72 107.32 108.38 3a75 s GLY 482 Ca -0.11 0.64 -0.31 0.00 0.00 0.00 0.00 44.72 44.93 3a75 s GLY 482 CO 0.03 0.12 1.14 -0.45 0.00 0.00 0.00 173.10 173.94 3a75 s SER 483 N -2.92 -0.16 0.63 1.64 0.15 -1.26 -3.60 113.70 108.17 3a75 s SER 483 Ca 0.13 -0.09 0.04 0.00 0.70 0.00 0.00 55.95 56.74 3a75 s SER 483 Cb 0.03 0.23 0.09 0.00 -1.71 0.00 0.00 66.02 64.67 3a75 s SER 483 CO -0.03 -0.40 0.86 -2.16 1.20 0.00 0.00 173.24 172.71 3a75 s PRO 484 N -2.66 2.08 0.00 5.44 0.04 -1.26 -4.69 135.00 133.96 3a75 s PRO 484 Ca 0.10 -1.30 0.00 0.00 0.04 0.00 0.00 61.00 59.84 3a75 s PRO 484 Cb 0.01 -2.50 0.00 0.00 0.04 0.00 0.00 34.50 32.04 3a75 s PRO 484 CO -0.04 -1.07 0.00 0.41 0.04 0.00 0.00 177.00 176.34 3a75 n GLY 485 N -2.49 0.60 7.00 0.56 0.00 -1.26 -4.22 105.19 105.38 3a75 n GLY 485 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3a75 n GLY 485 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a75 n GLY 486 N 0.00 2.51 0.31 -0.02 0.00 -1.26 -1.64 105.19 105.09 3a75 n GLY 486 Ca 0.00 -0.45 0.21 0.00 0.00 0.00 0.00 46.02 45.78 3a75 n GLY 486 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a75 h ALA 487 N -0.90 1.00 0.00 4.61 0.00 -1.97 -1.02 119.26 120.98 3a75 h ALA 487 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3a75 h ALA 487 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3a75 h ALA 487 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.50 3a75 n THR 488 N -2.97 0.65 -0.17 0.00 -2.24 -0.65 -3.43 114.28 105.48 3a75 n THR 488 Ca -0.02 0.10 -0.01 0.00 -2.27 0.00 0.00 64.05 61.85 3a75 n THR 488 Cb 0.10 -0.85 0.08 0.00 -2.10 0.00 0.00 70.33 67.56 3a75 n THR 488 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 3a75 h ILE 489 N 0.00 0.64 -0.81 2.28 2.04 -1.26 -0.94 117.51 119.46 3a75 h ILE 489 Ca 0.00 -0.06 0.10 0.00 1.00 0.00 0.00 64.86 65.90 3a75 h ILE 489 Cb 0.41 0.44 -0.07 0.00 -0.74 0.00 0.00 36.82 36.86 3a75 h ILE 489 CO 0.00 0.03 0.45 0.40 0.00 0.00 0.00 178.15 179.04 3a75 h ILE 490 N 0.18 0.88 -0.43 -0.67 2.04 -1.73 -1.19 117.51 116.59 3a75 h ILE 490 Ca 0.27 -0.26 -0.14 0.00 1.00 0.00 0.00 64.86 65.73 3a75 h ILE 490 Cb 0.40 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.54 3a75 h ILE 490 CO -0.39 0.14 -0.28 0.28 0.00 0.00 0.00 178.15 177.89 3a75 h SER 491 N 0.75 0.98 -0.52 1.72 0.02 -1.54 -1.32 113.55 113.63 3a75 h SER 491 Ca 0.40 -0.40 -0.09 0.00 -0.84 0.00 0.00 61.79 60.86 3a75 h SER 491 Cb 0.39 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.64 3a75 h SER 491 CO -0.26 1.19 0.01 0.28 -1.14 0.00 0.00 176.83 176.90 3a75 h SER 492 N 0.79 0.93 -0.24 3.07 0.02 -0.29 -0.85 113.55 116.99 3a75 h SER 492 Ca 0.09 -0.25 -0.19 0.00 -0.84 0.00 0.00 61.79 60.60 3a75 h SER 492 Cb 0.86 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.15 3a75 h SER 492 CO 0.08 0.99 -0.59 0.58 -1.14 0.00 0.00 176.83 176.74 3a75 h VAL 493 N 0.89 1.28 -0.34 2.27 2.07 -1.21 -2.42 116.25 118.78 3a75 h VAL 493 Ca 0.16 -1.78 -0.01 0.00 0.82 0.00 0.00 66.70 65.90 3a75 h VAL 493 Cb 0.51 1.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.96 3a75 h VAL 493 CO 0.03 0.58 0.19 0.25 0.02 0.00 0.00 177.57 178.63 3a75 h LEU 494 N 0.63 0.42 -0.39 2.57 5.85 -1.14 -2.31 115.31 120.94 3a75 h LEU 494 Ca 0.00 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.62 3a75 h LEU 494 Cb 1.20 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.10 3a75 h LEU 494 CO 0.13 0.38 0.15 1.56 -0.34 0.00 0.00 178.44 180.32 3a75 h GLN 495 N 0.43 0.59 -0.69 1.25 4.20 -1.07 -0.14 115.11 119.68 3a75 h GLN 495 Ca 0.12 -0.11 0.05 0.00 0.06 0.00 0.00 58.65 58.77 3a75 h GLN 495 Cb 0.05 -0.09 -0.05 0.00 0.30 0.00 0.00 27.48 27.68 3a75 h GLN 495 CO -0.02 0.57 0.40 1.15 -0.67 0.00 0.00 178.83 180.26 3a75 h THR 496 N 0.49 1.02 0.07 -0.54 2.02 -1.39 0.90 112.91 115.48 3a75 h THR 496 Ca 0.13 -0.26 -0.00 0.00 0.77 0.00 0.00 66.41 67.04 3a75 h THR 496 Cb 0.20 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 66.80 3a75 h THR 496 CO -0.01 0.14 -0.03 0.40 0.37 0.00 0.00 175.52 176.39 3a75 h ILE 497 N 0.76 1.10 -0.38 3.11 2.04 -1.23 -1.25 117.51 121.67 3a75 h ILE 497 Ca 0.29 -0.59 0.08 0.00 1.00 0.00 0.00 64.86 65.64 3a75 h ILE 497 Cb 0.12 1.49 -0.07 0.00 -0.74 0.00 0.00 36.82 37.62 3a75 h ILE 497 CO -0.15 0.15 -0.10 -0.07 0.00 0.00 0.00 178.15 177.97 3a75 h LEU 498 N -0.35 -0.38 -0.77 1.44 3.38 -0.72 0.26 115.31 118.17 3a75 h LEU 498 Ca -0.01 0.12 -0.10 0.00 0.09 0.00 0.00 57.88 57.98 3a75 h LEU 498 Cb 0.31 0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 3a75 h LEU 498 CO 0.02 -0.14 -0.10 1.88 0.09 0.00 0.00 178.44 180.19 3a75 h TYR 499 N -0.02 0.91 0.19 1.13 0.05 -0.77 0.31 116.97 118.77 3a75 h TYR 499 Ca 0.18 -0.17 -0.31 0.00 0.05 0.00 0.00 58.73 58.49 3a75 h TYR 499 Cb 0.29 -0.23 0.02 0.00 1.01 0.00 0.00 36.73 37.82 3a75 h TYR 499 CO -0.35 0.88 -1.35 1.25 -1.05 0.00 0.00 178.16 177.54 3a75 h HIS 500 N 0.75 0.75 0.00 4.88 2.76 -0.96 -0.11 115.15 123.22 3a75 h HIS 500 Ca 0.13 -0.54 -0.01 0.00 -2.20 0.00 0.00 60.37 57.75 3a75 h HIS 500 Cb 0.59 -0.03 -0.00 0.00 1.55 0.00 0.00 27.41 29.52 3a75 h HIS 500 CO 0.03 1.42 -0.69 -0.89 -1.30 0.00 0.00 177.93 176.51 3a75 n ILE 501 N -3.63 1.44 -0.06 6.26 2.08 0.88 -3.38 119.36 122.96 3a75 n ILE 501 Ca -0.13 0.19 -0.15 0.00 0.56 0.00 0.00 62.75 63.22 3a75 n ILE 501 Cb 1.06 -2.37 -0.06 0.00 -0.75 0.00 0.00 39.64 37.52 3a75 n ILE 501 CO 0.00 0.00 0.00 -0.33 0.56 0.00 0.00 176.55 176.78 3a75 h GLU 502 N -1.00 0.67 -0.00 0.38 5.08 -1.07 -3.21 114.58 115.43 3a75 h GLU 502 Ca -0.01 -0.45 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 3a75 h GLU 502 Cb 0.68 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.99 3a75 h GLU 502 CO -0.01 1.07 -0.21 0.66 -1.00 0.00 0.00 179.01 179.53 3a75 n TYR 503 N -4.18 0.00 -1.52 4.33 4.01 -0.76 -4.94 117.16 114.11 3a75 n TYR 503 Ca -0.06 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.54 3a75 n TYR 503 Cb 0.57 -0.34 -0.05 0.00 -0.31 0.00 0.00 39.34 39.22 3a75 n TYR 503 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3a75 n GLY 504 N 1.45 1.23 3.78 2.72 0.00 -1.05 -4.97 105.19 108.35 3a75 n GLY 504 Ca 0.08 -0.37 -0.35 0.00 0.00 0.00 0.00 46.02 45.38 3a75 n GLY 504 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3a75 s MET 505 N -3.37 3.59 0.47 1.61 -1.94 -0.08 -4.96 119.30 114.62 3a75 s MET 505 Ca 0.00 1.59 -0.25 0.00 -1.71 0.00 0.00 55.69 55.33 3a75 s MET 505 Cb 0.00 -2.15 -0.08 0.00 2.01 0.00 0.00 34.83 34.61 3a75 s MET 505 CO 0.00 -0.65 1.43 -2.00 -0.01 0.00 0.00 175.02 173.79 3a75 s GLU 506 N -3.08 3.56 0.21 2.03 -6.30 -1.26 -4.40 118.70 109.45 3a75 s GLU 506 Ca 0.69 2.42 -0.15 0.00 -2.50 0.00 0.00 54.97 55.43 3a75 s GLU 506 Cb -0.23 -2.58 0.24 0.00 0.00 0.00 0.00 34.13 31.56 3a75 s GLU 506 CO 0.27 -0.92 1.61 1.25 0.02 0.00 0.00 175.26 177.49 3a75 h LEU 507 N 2.13 -0.79 -0.26 2.70 5.85 -1.94 0.25 115.31 123.26 3a75 h LEU 507 Ca -0.51 0.22 -0.00 0.00 0.84 0.00 0.00 57.88 58.42 3a75 h LEU 507 Cb 1.27 0.47 -0.01 0.00 0.37 0.00 0.00 40.66 42.76 3a75 h LEU 507 CO 0.60 -0.25 0.15 0.50 -0.34 0.00 0.00 178.44 179.10 3a75 h LYS 508 N -0.04 0.35 -0.57 1.25 1.63 -1.97 -0.88 116.57 116.35 3a75 h LYS 508 Ca 0.31 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 60.07 3a75 h LYS 508 Cb 0.53 -0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 32.06 3a75 h LYS 508 CO -0.72 0.30 0.31 0.00 -3.45 0.00 0.00 179.45 175.89 3a75 h ALA 509 N 1.04 1.49 -0.41 5.00 0.00 -1.77 -0.03 119.26 124.56 3a75 h ALA 509 Ca 0.09 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 3a75 h ALA 509 Cb 0.04 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3a75 h ALA 509 CO -0.02 0.43 -0.03 0.00 0.00 0.00 0.00 179.25 179.63 3a75 h ALA 510 N 1.56 0.56 -0.61 0.00 0.00 -0.34 -1.73 119.26 118.69 3a75 h ALA 510 Ca 0.20 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 3a75 h ALA 510 Cb 0.02 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3a75 h ALA 510 CO -0.03 0.37 0.26 0.28 0.00 0.00 0.00 179.25 180.13 3a75 h VAL 511 N 0.57 1.21 0.00 0.00 2.07 -0.41 -2.99 116.25 116.71 3a75 h VAL 511 Ca 0.11 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 67.00 3a75 h VAL 511 Cb 0.53 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 3a75 h VAL 511 CO 0.03 0.26 -0.29 -0.62 0.02 0.00 0.00 177.57 176.97 3a75 n GLU 512 N -4.33 0.11 -1.70 1.57 -0.58 -0.10 -4.89 120.64 110.73 3a75 n GLU 512 Ca 0.05 0.06 -0.44 0.00 -0.42 0.00 0.00 57.16 56.41 3a75 n GLU 512 Cb 0.15 -1.59 -0.03 0.00 -0.57 0.00 0.00 31.44 29.40 3a75 n GLU 512 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 3a75 n GLU 513 N -1.76 2.56 -1.67 3.49 4.07 -0.66 -4.86 120.64 121.81 3a75 n GLU 513 Ca 0.05 0.92 -0.48 0.00 -0.06 0.00 0.00 57.16 57.60 3a75 n GLU 513 Cb 0.38 -2.76 -0.05 0.00 -0.06 0.00 0.00 31.44 28.95 3a75 n GLU 513 CO 0.00 0.00 0.00 -2.30 -0.06 0.00 0.00 177.13 174.77 3a75 n PRO 514 N 4.20 2.01 -3.35 5.31 -0.02 -1.26 -4.98 135.00 136.91 3a75 n PRO 514 Ca 0.17 0.73 -0.19 0.00 -2.02 0.00 0.00 63.50 62.19 3a75 n PRO 514 Cb 0.33 -2.51 -0.00 0.00 -0.02 0.00 0.00 33.50 31.30 3a75 n PRO 514 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3a75 s ARG 515 N 2.36 3.07 0.25 -0.52 0.52 -1.26 -4.88 118.95 118.49 3a75 s ARG 515 Ca 0.86 -0.97 0.04 0.00 -0.52 0.00 0.00 55.73 55.15 3a75 s ARG 515 Cb -0.73 -2.78 -0.05 0.00 0.52 0.00 0.00 34.95 31.90 3a75 s ARG 515 CO 0.46 -0.03 -0.01 0.96 0.02 0.00 0.00 175.30 176.70 3a75 s ILE 516 N -2.25 1.21 -0.19 1.52 -4.36 -1.26 -1.31 121.20 114.56 3a75 s ILE 516 Ca 0.47 -2.05 -0.15 0.00 -0.26 0.00 0.00 60.65 58.65 3a75 s ILE 516 Cb -0.10 -2.42 0.05 0.00 1.25 0.00 0.00 42.46 41.25 3a75 s ILE 516 CO 0.32 -0.28 0.49 -0.47 0.24 0.00 0.00 174.94 175.24 3a75 s TYR 517 N -3.30 -0.62 -0.30 1.37 5.04 -0.24 -4.85 117.35 114.46 3a75 s TYR 517 Ca 0.30 1.41 -0.08 0.00 -2.44 0.00 0.00 57.07 56.25 3a75 s TYR 517 Cb 0.05 0.26 0.15 0.00 0.35 0.00 0.00 41.96 42.77 3a75 s TYR 517 CO 0.10 -0.31 0.67 -0.08 -1.34 0.00 0.00 175.55 174.58 3a75 s THR 518 N 0.73 -0.96 -1.12 4.34 -1.32 -1.26 -0.28 115.64 115.76 3a75 s THR 518 Ca -0.04 0.00 0.22 0.00 -1.21 0.00 0.00 61.69 60.66 3a75 s THR 518 Cb -0.05 -1.00 -0.17 0.00 -1.51 0.00 0.00 72.50 69.77 3a75 s THR 518 CO -0.05 0.00 1.00 -0.46 -2.21 0.00 0.00 174.62 172.89 3a75 n ASN 519 N 5.42 1.05 -3.11 8.08 6.94 -1.14 -5.02 115.26 127.48 3a75 n ASN 519 Ca -0.09 -0.96 -0.08 0.00 -0.02 0.00 0.00 54.58 53.43 3a75 n ASN 519 Cb 0.50 0.84 0.02 0.00 -2.36 0.00 0.00 39.78 38.77 3a75 n ASN 519 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 3a75 s SER 520 N -2.94 -0.03 0.12 0.53 1.04 -1.26 -5.01 113.70 106.16 3a75 s SER 520 Ca 0.10 -1.01 0.17 0.00 0.48 0.00 0.00 55.95 55.69 3a75 s SER 520 Cb 0.16 0.79 0.75 0.00 0.10 0.00 0.00 66.02 67.83 3a75 s SER 520 CO 0.81 -1.56 1.54 0.23 0.98 0.00 0.00 173.24 175.24 3a75 n MET 521 N -0.54 0.09 -0.06 4.02 2.81 -1.26 -2.92 117.12 119.26 3a75 n MET 521 Ca -0.07 0.37 0.02 0.00 -1.81 0.00 0.00 57.70 56.20 3a75 n MET 521 Cb 0.60 -1.68 0.05 0.00 -0.71 0.00 0.00 33.22 31.48 3a75 n MET 521 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 3a75 n SER 522 N -1.85 2.29 -3.70 7.83 3.41 -1.26 -4.58 113.62 115.77 3a75 n SER 522 Ca 0.02 -1.96 -0.30 0.00 -0.26 0.00 0.00 58.87 56.38 3a75 n SER 522 Cb 0.17 -0.08 -0.15 0.00 -0.26 0.00 0.00 64.21 63.89 3a75 n SER 522 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3a75 s SER 523 N -0.97 3.91 0.01 4.04 0.15 -1.15 -5.11 113.70 114.59 3a75 s SER 523 Ca 0.08 -1.55 0.04 0.00 0.70 0.00 0.00 55.95 55.22 3a75 s SER 523 Cb 0.04 -0.76 -0.01 0.00 -1.71 0.00 0.00 66.02 63.58 3a75 s SER 523 CO 0.06 -0.42 -0.13 -0.31 1.20 0.00 0.00 173.24 173.64 3a75 s TYR 524 N 1.72 1.18 0.00 3.44 1.51 -1.26 -2.87 117.35 121.06 3a75 s TYR 524 Ca 0.09 -0.26 -0.03 0.00 -1.01 0.00 0.00 57.07 55.86 3a75 s TYR 524 Cb -0.17 -0.74 -0.01 0.00 -0.11 0.00 0.00 41.96 40.93 3a75 s TYR 524 CO -0.27 -0.00 0.05 1.03 -1.11 0.00 0.00 175.55 175.24 3a75 s ARG 525 N -0.56 0.28 0.02 -0.62 0.52 0.61 -4.63 118.95 114.57 3a75 s ARG 525 Ca 0.04 -0.32 -0.10 0.00 -0.52 0.00 0.00 55.73 54.83 3a75 s ARG 525 Cb -0.06 0.11 0.01 0.00 0.52 0.00 0.00 34.95 35.53 3a75 s ARG 525 CO 0.00 -0.05 0.20 1.52 0.02 0.00 0.00 175.30 176.99 3a75 s TYR 526 N -0.95 0.01 0.35 -0.53 -0.85 -1.26 -1.07 117.35 113.04 3a75 s TYR 526 Ca -0.10 -0.13 0.00 0.00 -0.52 0.00 0.00 57.07 56.32 3a75 s TYR 526 Cb -0.06 -0.01 -0.03 0.00 0.38 0.00 0.00 41.96 42.24 3a75 s TYR 526 CO 0.00 -0.38 0.55 -1.21 -1.52 0.00 0.00 175.55 172.99 3a75 s GLU 527 N -2.01 3.48 0.17 -3.49 2.02 -0.43 -0.53 118.70 117.92 3a75 s GLU 527 Ca -0.09 -0.33 -0.33 0.00 0.02 0.00 0.00 54.97 54.23 3a75 s GLU 527 Cb -0.04 -2.66 -0.13 0.00 0.10 0.00 0.00 34.13 31.41 3a75 s GLU 527 CO -0.01 0.14 1.68 -3.47 0.02 0.00 0.00 175.26 173.63 3a75 n ASP 528 N -1.79 3.60 0.00 -0.19 2.03 -1.26 -2.54 116.55 116.39 3a75 n ASP 528 Ca -0.05 1.06 0.00 0.00 0.52 0.00 0.00 54.79 56.32 3a75 n ASP 528 Cb 0.56 -1.50 0.00 0.00 -0.72 0.00 0.00 41.12 39.46 3a75 n ASP 528 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3a75 n GLY 529 N 3.78 1.30 3.63 0.27 0.00 -1.26 -4.74 105.19 108.17 3a75 n GLY 529 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 3a75 n GLY 529 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a75 s VAL 530 N -1.48 3.60 0.17 1.61 1.01 -1.05 -4.88 120.40 119.37 3a75 s VAL 530 Ca 0.00 0.67 -0.31 0.00 0.00 0.00 0.00 61.98 62.34 3a75 s VAL 530 Cb 0.00 -3.61 -0.17 0.00 0.00 0.00 0.00 36.38 32.60 3a75 s VAL 530 CO 0.00 -0.26 0.84 -2.65 0.00 0.00 0.00 175.10 173.03 3a75 n PRO 531 N 7.74 0.46 0.10 2.72 -0.02 -1.26 -4.84 135.00 139.91 3a75 n PRO 531 Ca 0.20 0.16 -0.01 0.00 -2.02 0.00 0.00 63.50 61.83 3a75 n PRO 531 Cb 0.45 -1.42 0.25 0.00 -0.02 0.00 0.00 33.50 32.76 3a75 n PRO 531 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3a75 h LYS 532 N 2.04 0.22 -0.33 -0.52 1.57 -2.00 -2.26 116.57 115.29 3a75 h LYS 532 Ca -0.37 -0.10 -0.07 0.00 -1.87 0.00 0.00 60.65 58.23 3a75 h LYS 532 Cb 1.40 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.69 3a75 h LYS 532 CO 0.62 0.57 -0.11 0.38 -0.57 0.00 0.00 179.45 180.34 3a75 h ASP 533 N 0.19 0.54 -0.49 0.86 -0.00 -1.99 -1.34 116.42 114.20 3a75 h ASP 533 Ca 0.02 -0.14 -0.13 0.00 -0.00 0.00 0.00 57.03 56.77 3a75 h ASP 533 Cb 0.76 -0.15 -0.01 0.00 -0.00 0.00 0.00 39.33 39.93 3a75 h ASP 533 CO 0.06 0.69 -0.21 0.58 -0.00 0.00 0.00 179.24 180.36 3a75 h VAL 534 N 0.52 1.27 -0.50 4.15 2.07 -1.78 -1.95 116.25 120.03 3a75 h VAL 534 Ca 0.10 -1.38 -0.08 0.00 0.82 0.00 0.00 66.70 66.16 3a75 h VAL 534 Cb 0.50 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 3a75 h VAL 534 CO 0.03 0.48 -0.01 -0.07 0.02 0.00 0.00 177.57 178.01 3a75 h LEU 535 N 0.87 0.82 -0.63 2.57 3.38 -1.09 -0.22 115.31 121.01 3a75 h LEU 535 Ca 0.11 -0.21 -0.14 0.00 0.09 0.00 0.00 57.88 57.73 3a75 h LEU 535 Cb 0.79 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 3a75 h LEU 535 CO 0.07 0.89 -0.39 -1.28 0.09 0.00 0.00 178.44 177.81 3a75 h SER 536 N 0.78 0.67 -0.49 -0.43 0.87 -1.16 0.03 113.55 113.83 3a75 h SER 536 Ca 0.15 -0.30 -0.11 0.00 -1.23 0.00 0.00 61.79 60.30 3a75 h SER 536 Cb 0.49 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 3a75 h SER 536 CO 0.02 0.99 -0.12 0.50 -0.53 0.00 0.00 176.83 177.70 3a75 h LYS 537 N 0.52 0.94 -0.23 2.24 1.63 -0.75 0.02 116.57 120.94 3a75 h LYS 537 Ca 0.05 -0.36 -0.11 0.00 -0.85 0.00 0.00 60.65 59.38 3a75 h LYS 537 Cb 0.91 -0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 32.49 3a75 h LYS 537 CO 0.08 1.02 -0.27 -0.07 -3.45 0.00 0.00 179.45 176.76 3a75 h LEU 538 N 0.79 0.64 -0.85 5.20 3.38 -0.94 -2.52 115.31 121.01 3a75 h LEU 538 Ca 0.12 -0.49 -0.08 0.00 0.09 0.00 0.00 57.88 57.52 3a75 h LEU 538 Cb 0.68 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 3a75 h LEU 538 CO 0.05 1.00 0.03 0.78 0.09 0.00 0.00 178.44 180.40 3a75 h ASN 539 N 0.29 0.86 -0.85 -0.43 2.35 -0.98 -1.59 115.58 115.22 3a75 h ASN 539 Ca 0.03 -0.21 0.22 0.00 -0.55 0.00 0.00 56.30 55.80 3a75 h ASN 539 Cb 0.84 -0.23 -0.05 0.00 0.05 0.00 0.00 38.32 38.94 3a75 h ASN 539 CO 0.07 0.90 0.59 1.23 -1.65 0.00 0.00 177.43 178.57 3a75 h GLY 540 N 1.00 0.34 0.78 2.83 0.00 -0.69 -0.03 103.07 107.30 3a75 h GLY 540 Ca 0.16 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.42 3a75 h GLY 540 CO 0.02 -0.00 -0.22 1.03 0.00 0.00 0.00 176.54 177.37 3a75 n MET 541 N -4.38 0.56 0.00 4.80 2.81 -0.66 -4.92 117.12 115.34 3a75 n MET 541 Ca 0.18 -0.26 0.00 0.00 -1.81 0.00 0.00 57.70 55.81 3a75 n MET 541 Cb 0.81 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.83 3a75 n MET 541 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3a75 n GLY 542 N 1.36 1.10 3.80 3.03 0.00 -0.03 -5.11 105.19 109.33 3a75 n GLY 542 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 3a75 n GLY 542 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3a75 s HIS 543 N -1.65 2.88 -0.45 1.61 4.02 -0.82 -4.98 115.29 115.89 3a75 s HIS 543 Ca 0.00 1.37 0.07 0.00 1.02 0.00 0.00 55.06 57.52 3a75 s HIS 543 Cb 0.00 -2.99 0.40 0.00 -1.02 0.00 0.00 32.58 28.97 3a75 s HIS 543 CO 0.00 -1.57 1.02 1.63 1.02 0.00 0.00 174.74 176.84 3a75 n LYS 544 N -3.34 2.86 -2.20 1.40 5.02 -1.26 -4.23 118.16 116.41 3a75 n LYS 544 Ca 0.08 -4.33 -0.40 0.00 -2.02 0.00 0.00 58.31 51.64 3a75 n LYS 544 Cb 0.54 -2.06 -0.02 0.00 -0.02 0.00 0.00 35.03 33.48 3a75 n LYS 544 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3a75 s PHE 545 N -3.38 3.08 0.79 2.13 0.08 -1.26 -4.56 117.98 114.85 3a75 s PHE 545 Ca 0.44 1.49 -0.13 0.00 0.12 0.00 0.00 56.93 58.86 3a75 s PHE 545 Cb 0.38 -3.54 0.18 0.00 -0.57 0.00 0.00 43.02 39.47 3a75 s PHE 545 CO -0.13 -1.57 1.07 0.41 -0.10 0.00 0.00 175.22 174.90 3a75 n GLY 546 N 0.78 -1.33 0.19 4.36 0.00 -1.26 -4.97 105.19 102.95 3a75 n GLY 546 Ca 0.02 -1.72 0.14 0.00 0.00 0.00 0.00 46.02 44.46 3a75 n GLY 546 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3a75 h THR 547 N -1.58 0.00 -3.99 2.61 1.35 -2.00 -3.45 112.91 105.86 3a75 h THR 547 Ca -0.35 -0.49 -0.20 0.00 -0.55 0.00 0.00 66.41 64.83 3a75 h THR 547 Cb 0.97 1.40 -0.21 0.00 -1.73 0.00 0.00 68.15 68.58 3a75 h THR 547 CO 0.25 0.00 -0.71 -0.94 -0.25 0.00 0.00 175.52 173.87 3a75 s SER 548 N -5.10 0.43 0.61 5.36 1.04 -1.26 -5.16 113.70 109.62 3a75 s SER 548 Ca 0.05 -0.55 -0.14 0.00 0.48 0.00 0.00 55.95 55.79 3a75 s SER 548 Cb 0.09 0.09 -0.03 0.00 0.10 0.00 0.00 66.02 66.26 3a75 s SER 548 CO 0.52 -0.29 1.04 -2.16 0.98 0.00 0.00 173.24 173.32 3a75 s PRO 549 N -1.68 3.41 0.02 4.02 0.04 -1.26 -4.77 135.00 134.79 3a75 s PRO 549 Ca -0.13 0.99 0.00 0.00 0.04 0.00 0.00 61.00 61.91 3a75 s PRO 549 Cb -0.09 -2.05 -0.02 0.00 0.04 0.00 0.00 34.50 32.38 3a75 s PRO 549 CO -0.01 -0.72 -0.03 0.14 0.04 0.00 0.00 177.00 176.41 3a75 s VAL 550 N -2.80 0.15 0.47 -0.36 -7.23 0.32 -4.89 120.40 106.07 3a75 s VAL 550 Ca 0.59 -0.81 -0.22 0.00 -1.81 0.00 0.00 61.98 59.74 3a75 s VAL 550 Cb -0.13 -0.27 -0.08 0.00 0.56 0.00 0.00 36.38 36.46 3a75 s VAL 550 CO 0.44 -0.42 1.10 -1.81 -0.31 0.00 0.00 175.10 174.10 3a75 s ASP 551 N -1.28 6.23 -0.15 4.85 1.01 -1.26 -3.66 116.67 122.41 3a75 s ASP 551 Ca -0.13 2.11 -0.00 0.00 0.71 0.00 0.00 52.55 55.24 3a75 s ASP 551 Cb -0.09 -2.58 0.04 0.00 1.01 0.00 0.00 42.92 41.30 3a75 s ASP 551 CO -0.01 -0.87 -0.06 -0.63 0.21 0.00 0.00 175.17 173.82 3a75 s ILE 552 N -1.75 1.09 0.03 0.77 1.01 -1.26 -5.02 121.20 116.07 3a75 s ILE 552 Ca 0.66 -0.53 0.00 0.00 0.00 0.00 0.00 60.65 60.77 3a75 s ILE 552 Cb -0.23 -1.22 0.00 0.00 0.01 0.00 0.00 42.46 41.03 3a75 s ILE 552 CO 0.27 0.20 0.00 0.61 0.00 0.00 0.00 174.94 176.02 3a75 n GLY 553 N 4.89 -2.00 2.86 6.18 0.00 -1.26 -4.90 105.19 110.96 3a75 n GLY 553 Ca -0.12 -1.39 -0.01 0.00 0.00 0.00 0.00 46.02 44.50 3a75 n GLY 553 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3a75 s ASN 554 N -3.63 -0.98 -0.31 1.61 2.47 -1.26 -4.80 114.94 108.04 3a75 s ASN 554 Ca 0.00 -0.85 -0.23 0.00 0.42 0.00 0.00 52.86 52.20 3a75 s ASN 554 Cb 0.00 1.27 -0.00 0.00 -1.45 0.00 0.00 41.25 41.07 3a75 s ASN 554 CO 0.00 -0.07 0.76 -0.69 -3.72 0.00 0.00 177.10 173.38 3a75 s VAL 555 N 1.38 4.81 -0.11 -5.21 1.01 -1.26 -4.16 120.40 116.85 3a75 s VAL 555 Ca 0.22 1.10 -0.10 0.00 0.00 0.00 0.00 61.98 63.19 3a75 s VAL 555 Cb 0.02 -4.13 -0.05 0.00 0.00 0.00 0.00 36.38 32.23 3a75 s VAL 555 CO -0.09 -0.25 0.23 -1.10 0.00 0.00 0.00 175.10 173.89 3a75 s GLN 556 N 2.91 3.80 -0.06 2.72 1.11 -1.24 -2.15 119.66 126.76 3a75 s GLN 556 Ca 0.31 0.02 -0.14 0.00 0.01 0.00 0.00 55.36 55.56 3a75 s GLN 556 Cb -0.14 -3.27 0.03 0.00 -1.01 0.00 0.00 33.01 28.61 3a75 s GLN 556 CO 0.13 0.59 0.34 0.45 0.01 0.00 0.00 175.29 176.81 3a75 s SER 557 N -0.57 -0.27 -0.05 5.90 0.15 -0.19 -3.75 113.70 114.93 3a75 s SER 557 Ca 0.16 0.34 0.04 0.00 0.70 0.00 0.00 55.95 57.19 3a75 s SER 557 Cb -0.13 0.48 -0.00 0.00 -1.71 0.00 0.00 66.02 64.66 3a75 s SER 557 CO 0.05 -0.33 -0.16 -0.63 1.20 0.00 0.00 173.24 173.37 3a75 s ILE 558 N -0.74 1.39 0.02 6.45 1.01 -1.19 -0.46 121.20 127.68 3a75 s ILE 558 Ca -0.08 -0.68 0.03 0.00 0.00 0.00 0.00 60.65 59.91 3a75 s ILE 558 Cb -0.04 -1.21 -0.04 0.00 0.01 0.00 0.00 42.46 41.19 3a75 s ILE 558 CO 0.03 0.40 -0.03 -0.55 0.00 0.00 0.00 174.94 174.79 3a75 s SER 559 N 0.15 4.88 -0.16 3.58 0.15 0.40 -1.24 113.70 121.45 3a75 s SER 559 Ca -0.06 -0.11 -0.00 0.00 0.70 0.00 0.00 55.95 56.48 3a75 s SER 559 Cb -0.12 -1.19 0.04 0.00 -1.71 0.00 0.00 66.02 63.04 3a75 s SER 559 CO 0.03 0.26 -0.06 -0.63 1.20 0.00 0.00 173.24 174.04 3a75 s ILE 560 N -1.10 1.13 -0.59 6.45 1.01 -0.33 -1.47 121.20 126.30 3a75 s ILE 560 Ca 0.20 -0.63 -0.19 0.00 0.00 0.00 0.00 60.65 60.03 3a75 s ILE 560 Cb -0.11 -1.29 0.11 0.00 0.01 0.00 0.00 42.46 41.17 3a75 s ILE 560 CO 0.11 0.14 0.69 -0.62 0.00 0.00 0.00 174.94 175.26 3a75 s ASP 561 N 1.63 6.19 0.21 3.58 -1.08 -0.79 -4.64 116.67 121.76 3a75 s ASP 561 Ca 0.01 -1.49 0.23 0.00 -0.52 0.00 0.00 52.55 50.77 3a75 s ASP 561 Cb -0.15 -2.29 0.92 0.00 -1.46 0.00 0.00 42.92 39.94 3a75 s ASP 561 CO -0.08 -1.08 1.70 1.41 0.52 0.00 0.00 175.17 177.64 3a75 n HIS 562 N 6.19 0.70 0.02 -5.34 8.25 -1.26 -0.31 115.22 123.48 3a75 n HIS 562 Ca -0.10 0.26 -0.12 0.00 -0.26 0.00 0.00 57.72 57.50 3a75 n HIS 562 Cb 0.42 -0.92 -0.09 0.00 1.12 0.00 0.00 29.99 30.52 3a75 n HIS 562 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 3a75 h GLU 563 N 0.00 -0.11 -0.01 -0.41 5.08 -1.95 -3.27 114.58 113.90 3a75 h GLU 563 Ca 0.00 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3a75 h GLU 563 Cb 0.41 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.69 3a75 h GLU 563 CO 0.00 0.40 -0.22 0.09 -1.00 0.00 0.00 179.01 178.28 3a75 n ASN 564 N -4.88 1.67 -3.46 1.42 3.02 -1.19 -4.97 115.26 106.87 3a75 n ASN 564 Ca -0.08 -1.35 -0.20 0.00 -0.03 0.00 0.00 54.58 52.92 3a75 n ASN 564 Cb 0.28 0.17 0.06 0.00 -0.61 0.00 0.00 39.78 39.68 3a75 n ASN 564 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3a75 n GLY 565 N 1.32 -0.86 3.35 7.41 0.00 0.58 -5.01 105.19 111.99 3a75 n GLY 565 Ca 0.13 0.41 -0.18 0.00 0.00 0.00 0.00 46.02 46.38 3a75 n GLY 565 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3a75 s THR 566 N -3.46 0.66 0.09 2.61 -4.23 -0.54 -5.01 115.64 105.77 3a75 s THR 566 Ca 0.32 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.87 3a75 s THR 566 Cb -0.07 -2.64 -0.03 0.00 1.34 0.00 0.00 72.50 71.09 3a75 s THR 566 CO 0.78 0.00 -0.10 -0.36 -0.54 0.00 0.00 174.62 174.40 3a75 s PHE 567 N -3.62 1.07 -0.02 3.99 0.08 -1.26 -1.89 117.98 116.32 3a75 s PHE 567 Ca 0.37 -0.63 -0.00 0.00 0.12 0.00 0.00 56.93 56.79 3a75 s PHE 567 Cb 0.07 -0.59 0.03 0.00 -0.57 0.00 0.00 43.02 41.97 3a75 s PHE 567 CO 0.14 0.01 0.03 0.21 -0.10 0.00 0.00 175.22 175.51 3a75 s LYS 568 N -2.66 -0.01 0.06 0.44 2.20 -0.54 -4.98 119.74 114.25 3a75 s LYS 568 Ca 0.04 0.18 0.09 0.00 -0.36 0.00 0.00 55.97 55.92 3a75 s LYS 568 Cb -0.04 -0.28 -0.03 0.00 -1.51 0.00 0.00 37.83 35.97 3a75 s LYS 568 CO 0.00 -0.17 -0.23 0.20 -0.36 0.00 0.00 175.35 174.79 3a75 s GLY 569 N 1.11 1.51 -0.01 5.54 0.00 -1.26 -0.45 107.32 113.76 3a75 s GLY 569 Ca -0.09 -1.27 0.01 0.00 0.00 0.00 0.00 44.72 43.37 3a75 s GLY 569 CO -0.03 -1.17 -0.02 0.14 0.00 0.00 0.00 173.10 172.02 3a75 s VAL 570 N -0.90 0.22 -0.04 1.40 1.01 0.40 -4.85 120.40 117.64 3a75 s VAL 570 Ca 0.14 -0.08 0.06 0.00 0.00 0.00 0.00 61.98 62.10 3a75 s VAL 570 Cb -0.10 -0.22 -0.01 0.00 0.00 0.00 0.00 36.38 36.04 3a75 s VAL 570 CO 0.04 0.09 -0.23 0.00 0.00 0.00 0.00 175.10 175.00 3a75 s ALA 571 N 0.19 1.96 0.24 5.51 0.00 -1.26 -1.02 121.76 127.37 3a75 s ALA 571 Ca -0.02 -0.98 -0.30 0.00 0.00 0.00 0.00 51.96 50.67 3a75 s ALA 571 Cb -0.04 -0.56 -0.10 0.00 0.00 0.00 0.00 23.12 22.42 3a75 s ALA 571 CO -0.00 0.43 1.39 0.34 0.00 0.00 0.00 175.76 177.92 3a75 s ASP 572 N -0.33 6.73 0.00 0.00 -1.08 -0.91 -4.90 116.67 116.17 3a75 s ASP 572 Ca 0.03 2.59 0.16 0.00 -0.52 0.00 0.00 52.55 54.81 3a75 s ASP 572 Cb -0.11 -2.62 0.93 0.00 -1.46 0.00 0.00 42.92 39.66 3a75 s ASP 572 CO 0.01 -0.64 1.37 -1.54 0.52 0.00 0.00 175.17 174.89 3a75 n SER 573 N 2.32 0.00 0.18 -0.34 3.41 -1.26 -2.76 113.62 115.16 3a75 n SER 573 Ca 0.06 -0.45 0.14 0.00 -0.26 0.00 0.00 58.87 58.36 3a75 n SER 573 Cb 0.41 -0.03 0.53 0.00 -0.26 0.00 0.00 64.21 64.87 3a75 n SER 573 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3a75 h SER 574 N 0.00 0.00 -4.39 4.04 4.64 -1.90 -3.44 113.55 112.50 3a75 h SER 574 Ca 0.00 0.00 -0.44 0.00 -0.47 0.00 0.00 61.79 60.88 3a75 h SER 574 Cb 0.01 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 61.96 3a75 h SER 574 CO 0.00 0.00 -0.56 -0.13 -0.87 0.00 0.00 176.83 175.27 3a75 s ARG 575 N -3.40 1.64 -0.40 4.77 0.52 -1.11 -5.04 118.95 115.92 3a75 s ARG 575 Ca 0.04 -1.94 -0.03 0.00 -0.52 0.00 0.00 55.73 53.28 3a75 s ARG 575 Cb 0.09 -0.24 0.11 0.00 0.52 0.00 0.00 34.95 35.44 3a75 s ARG 575 CO 0.47 -0.43 2.53 -1.71 0.02 0.00 0.00 175.30 176.18 3a75 n ASN 576 N -0.94 6.48 -4.26 0.23 4.05 -1.26 -4.83 115.26 114.72 3a75 n ASN 576 Ca -0.00 -3.16 -0.29 0.00 0.45 0.00 0.00 54.58 51.57 3a75 n ASN 576 Cb 0.65 -1.17 0.19 0.00 1.23 0.00 0.00 39.78 40.68 3a75 n ASN 576 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 177.26 173.38 3a75 s GLY 577 N 0.28 1.61 -0.08 8.20 0.00 -1.26 -5.07 107.32 110.99 3a75 s GLY 577 Ca 0.50 -0.78 -0.07 0.00 0.00 0.00 0.00 44.72 44.37 3a75 s GLY 577 CO -0.14 -0.04 0.21 0.00 0.00 0.00 0.00 173.10 173.12 3a75 s ALA 578 N -3.21 -0.51 -0.12 3.20 0.00 -1.26 -4.91 121.76 114.95 3a75 s ALA 578 Ca 0.69 0.60 -0.02 0.00 0.00 0.00 0.00 51.96 53.23 3a75 s ALA 578 Cb -0.12 -0.35 -0.03 0.00 0.00 0.00 0.00 23.12 22.62 3a75 s ALA 578 CO 0.55 -0.10 -0.06 0.00 0.00 0.00 0.00 175.76 176.15 3a75 s ALA 579 N 0.17 2.97 -0.14 0.00 0.00 -1.26 -4.88 121.76 118.62 3a75 s ALA 579 Ca -0.00 -0.85 -0.01 0.00 0.00 0.00 0.00 51.96 51.09 3a75 s ALA 579 Cb -0.02 -1.39 0.04 0.00 0.00 0.00 0.00 23.12 21.75 3a75 s ALA 579 CO -0.00 0.37 -0.01 0.42 0.00 0.00 0.00 175.76 176.54 3a75 s ILE 580 N -0.15 0.69 0.49 0.00 1.01 -1.26 -5.03 121.20 116.95 3a75 s ILE 580 Ca 0.02 -0.32 -0.15 0.00 0.00 0.00 0.00 60.65 60.20 3a75 s ILE 580 Cb -0.13 -0.94 -0.07 0.00 0.01 0.00 0.00 42.46 41.33 3a75 s ILE 580 CO 0.03 0.11 0.94 -0.83 0.00 0.00 0.00 174.94 175.18 3a75 s GLY 581 N 1.82 2.03 -0.15 6.18 0.00 -1.26 -5.03 107.32 110.90 3a75 s GLY 581 Ca 0.02 0.10 -0.04 0.00 0.00 0.00 0.00 44.72 44.79 3a75 s GLY 581 CO -0.07 0.35 -0.01 -0.42 0.00 0.00 0.00 173.10 172.96 3a75 s ILE 582 N -2.59 4.19 -0.34 0.90 -1.09 -1.26 -5.07 121.20 115.94 3a75 s ILE 582 Ca 0.57 -0.26 0.00 0.00 -2.23 0.00 0.00 60.65 58.73 3a75 s ILE 582 Cb -0.10 -2.84 0.11 0.00 -1.58 0.00 0.00 42.46 38.05 3a75 s ILE 582 CO 0.32 0.51 0.13 0.20 -1.23 0.00 0.00 174.94 174.87 3a75 s ASN 583 N 0.13 3.95 0.00 3.58 0.01 -1.26 -5.08 114.94 116.27 3a75 s ASN 583 Ca 0.01 -1.90 0.00 0.00 -0.71 0.00 0.00 52.86 50.25 3a75 s ASN 583 Cb -0.13 -0.92 0.00 0.00 0.41 0.00 0.00 41.25 40.61 3a75 s ASN 583 CO 0.02 -0.38 0.00 0.18 -1.51 0.00 0.00 177.10 175.41