#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 0.08 -0.04 12.58 -1.32 0.25 -4.73 115.64 122.45 3a75 s THR 404 Ca 0.00 -0.67 0.03 0.00 -1.21 0.00 0.00 61.69 59.84 3a75 s THR 404 Cb 0.00 -0.91 0.00 0.00 -1.51 0.00 0.00 72.50 70.08 3a75 s THR 404 CO 0.00 -0.37 -0.13 -2.28 -2.21 0.00 0.00 174.62 169.63 3a75 s HIS 405 N -2.47 1.35 0.14 9.09 5.04 -1.26 -1.26 115.29 125.92 3a75 s HIS 405 Ca -0.06 -0.40 -0.03 0.00 -1.54 0.00 0.00 55.06 53.03 3a75 s HIS 405 Cb -0.01 -0.95 -0.03 0.00 0.04 0.00 0.00 32.58 31.63 3a75 s HIS 405 CO -0.03 -0.17 0.11 -0.59 -2.34 0.00 0.00 174.74 171.72 3a75 s PHE 406 N 0.26 0.75 0.02 3.88 -0.71 -0.65 -4.58 117.98 116.95 3a75 s PHE 406 Ca -0.06 -1.12 -0.11 0.00 -1.04 0.00 0.00 56.93 54.59 3a75 s PHE 406 Cb -0.12 -0.38 0.01 0.00 -1.21 0.00 0.00 43.02 41.33 3a75 s PHE 406 CO 0.02 -0.56 0.24 0.99 -1.34 0.00 0.00 175.22 174.56 3a75 s THR 407 N -4.03 0.09 -0.01 -4.49 2.01 -1.26 -1.52 115.64 106.43 3a75 s THR 407 Ca 0.22 -0.72 -0.02 0.00 0.31 0.00 0.00 61.69 61.48 3a75 s THR 407 Cb 0.06 -0.78 -0.00 0.00 0.01 0.00 0.00 72.50 71.80 3a75 s THR 407 CO 0.01 -0.40 0.05 -0.69 -0.69 0.00 0.00 174.62 172.90 3a75 s VAL 408 N -2.10 0.03 -0.01 3.82 1.01 -0.64 -5.00 120.40 117.50 3a75 s VAL 408 Ca -0.08 -0.27 0.00 0.00 0.00 0.00 0.00 61.98 61.63 3a75 s VAL 408 Cb -0.03 -0.16 0.02 0.00 0.00 0.00 0.00 36.38 36.21 3a75 s VAL 408 CO -0.01 -0.15 0.01 0.00 0.00 0.00 0.00 175.10 174.95 3a75 s ALA 409 N -0.44 0.13 0.50 5.51 0.00 -1.26 0.07 121.76 126.27 3a75 s ALA 409 Ca -0.05 0.14 0.05 0.00 0.00 0.00 0.00 51.96 52.10 3a75 s ALA 409 Cb -0.03 -0.17 0.01 0.00 0.00 0.00 0.00 23.12 22.92 3a75 s ALA 409 CO 0.00 -0.05 0.27 0.16 0.00 0.00 0.00 175.76 176.14 3a75 s ASP 410 N 0.63 4.49 0.00 0.00 1.47 -0.97 -5.03 116.67 117.26 3a75 s ASP 410 Ca -0.06 -1.28 0.24 0.00 1.18 0.00 0.00 52.55 52.63 3a75 s ASP 410 Cb -0.08 0.22 1.41 0.00 -0.34 0.00 0.00 42.92 44.13 3a75 s ASP 410 CO -0.02 -0.92 1.89 -2.11 0.68 0.00 0.00 175.17 174.70 3a75 n ARG 411 N -1.54 0.98 -0.28 2.11 1.85 -1.26 -2.80 116.66 115.72 3a75 n ARG 411 Ca -0.05 0.00 0.07 0.00 -1.00 0.00 0.00 57.85 56.87 3a75 n ARG 411 Cb 0.65 -1.38 0.20 0.00 -1.05 0.00 0.00 32.46 30.88 3a75 n ARG 411 CO 0.00 0.00 0.00 0.91 -0.01 0.00 0.00 177.63 178.53 3a75 n TRP 412 N -0.88 0.67 -0.57 2.89 8.01 -1.26 -4.97 117.44 121.34 3a75 n TRP 412 Ca 0.18 -0.58 0.00 0.00 -1.31 0.00 0.00 57.50 55.79 3a75 n TRP 412 Cb 0.08 -0.10 0.00 0.00 -2.01 0.00 0.00 31.31 29.28 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 0.45 0.78 3.79 6.99 0.00 -1.12 -5.05 105.19 111.03 3a75 n GLY 413 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.99 6.73 -0.01 1.61 -0.87 -1.26 -4.91 114.94 113.24 3a75 s ASN 414 Ca 0.00 1.99 -0.00 0.00 -1.57 0.00 0.00 52.86 53.28 3a75 s ASN 414 Cb 0.00 -2.58 0.01 0.00 -0.02 0.00 0.00 41.25 38.66 3a75 s ASN 414 CO 0.00 -0.51 0.01 -0.69 -2.57 0.00 0.00 177.10 173.34 3a75 s VAL 415 N -1.73 -0.01 -0.01 1.60 1.01 -1.26 -2.30 120.40 117.69 3a75 s VAL 415 Ca 0.59 0.05 0.04 0.00 0.00 0.00 0.00 61.98 62.67 3a75 s VAL 415 Cb -0.20 -0.03 -0.01 0.00 0.00 0.00 0.00 36.38 36.14 3a75 s VAL 415 CO 0.25 0.02 -0.14 -0.69 0.00 0.00 0.00 175.10 174.54 3a75 s VAL 416 N 0.25 1.14 -0.08 2.92 1.01 0.11 -5.00 120.40 120.76 3a75 s VAL 416 Ca -0.02 -0.62 -0.02 0.00 0.00 0.00 0.00 61.98 61.32 3a75 s VAL 416 Cb -0.03 -0.95 0.04 0.00 0.00 0.00 0.00 36.38 35.43 3a75 s VAL 416 CO -0.01 0.32 0.05 -0.55 0.00 0.00 0.00 175.10 174.92 3a75 s SER 417 N -0.33 1.56 -0.10 3.32 0.15 -1.26 -1.63 113.70 115.41 3a75 s SER 417 Ca 0.05 -0.13 -0.03 0.00 0.70 0.00 0.00 55.95 56.54 3a75 s SER 417 Cb -0.06 -0.26 0.04 0.00 -1.71 0.00 0.00 66.02 64.04 3a75 s SER 417 CO -0.01 -0.26 0.07 -0.47 1.20 0.00 0.00 173.24 173.78 3a75 s TYR 418 N 2.10 0.18 -0.13 3.44 6.14 -0.58 -4.81 117.35 123.70 3a75 s TYR 418 Ca 0.04 -0.04 -0.05 0.00 0.64 0.00 0.00 57.07 57.67 3a75 s TYR 418 Cb -0.13 -0.60 -0.04 0.00 0.42 0.00 0.00 41.96 41.61 3a75 s TYR 418 CO -0.05 -0.34 0.06 0.99 0.64 0.00 0.00 175.55 176.85 3a75 s THR 419 N 2.13 4.78 0.02 4.34 2.01 -1.26 -1.63 115.64 126.03 3a75 s THR 419 Ca 0.04 -0.06 -0.01 0.00 0.31 0.00 0.00 61.69 61.97 3a75 s THR 419 Cb -0.14 -3.08 -0.02 0.00 0.01 0.00 0.00 72.50 69.27 3a75 s THR 419 CO -0.06 0.56 -0.00 -0.89 -0.69 0.00 0.00 174.62 173.54 3a75 s THR 420 N -0.48 0.10 0.22 -0.82 2.01 -0.39 -5.01 115.64 111.29 3a75 s THR 420 Ca 0.10 -0.87 -0.20 0.00 0.31 0.00 0.00 61.69 61.04 3a75 s THR 420 Cb -0.12 -0.28 0.03 0.00 0.01 0.00 0.00 72.50 72.14 3a75 s THR 420 CO 0.02 -0.48 0.61 0.28 -0.69 0.00 0.00 174.62 174.36 3a75 s THR 421 N -1.43 0.01 -0.06 -0.82 -1.32 -1.26 -0.59 115.64 110.16 3a75 s THR 421 Ca -0.16 -0.75 0.09 0.00 -1.21 0.00 0.00 61.69 59.67 3a75 s THR 421 Cb -0.10 -1.66 0.14 0.00 -1.51 0.00 0.00 72.50 69.37 3a75 s THR 421 CO -0.01 -0.04 1.03 2.30 -2.21 0.00 0.00 174.62 175.69 3a75 n ILE 422 N -0.40 1.07 0.00 5.08 -5.35 -1.26 -4.98 119.36 113.53 3a75 n ILE 422 Ca -0.09 -1.26 0.00 0.00 -0.27 0.00 0.00 62.75 61.14 3a75 n ILE 422 Cb 0.62 0.18 0.00 0.00 -1.74 0.00 0.00 39.64 38.70 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 -0.78 0.00 -0.53 6.28 0.00 -1.26 -2.18 120.64 122.17 3a75 n GLU 423 Ca 0.08 0.00 -0.28 0.00 0.00 0.00 0.00 57.16 56.96 3a75 n GLU 423 Cb 0.58 0.00 0.26 0.00 0.00 0.00 0.00 31.44 32.28 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 -1.05 0.10 5.31 -1.52 -1.26 -4.15 119.66 117.09 3a75 s GLN 424 Ca 0.00 0.82 -0.31 0.00 -1.95 0.00 0.00 55.36 53.92 3a75 s GLN 424 Cb 0.00 -1.54 -0.08 0.00 -0.22 0.00 0.00 33.01 31.17 3a75 s GLN 424 CO 0.00 -3.81 1.44 -0.51 -0.25 0.00 0.00 175.29 172.17 3a75 s LEU 425 N -7.26 4.36 -0.06 2.90 1.02 -1.26 -0.66 118.68 117.72 3a75 s LEU 425 Ca 0.69 2.35 0.00 0.00 0.02 0.00 0.00 54.13 57.18 3a75 s LEU 425 Cb -0.25 -3.58 0.00 0.00 0.02 0.00 0.00 46.19 42.38 3a75 s LEU 425 CO 0.65 -0.71 0.00 0.49 0.02 0.00 0.00 176.35 176.80 3a75 n PHE 426 N 4.36 0.00 -1.80 0.29 3.72 -1.26 -4.86 117.46 117.92 3a75 n PHE 426 Ca 0.13 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.53 3a75 n PHE 426 Cb 0.42 -1.21 0.00 0.00 -0.94 0.00 0.00 39.48 37.75 3a75 n PHE 426 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3a75 n GLY 427 N -0.71 3.18 0.26 1.37 0.00 0.16 -0.65 105.19 108.79 3a75 n GLY 427 Ca -0.01 -0.19 0.14 0.00 0.00 0.00 0.00 46.02 45.96 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 0.36 0.00 2.61 1.35 -1.35 -3.43 112.91 112.45 3a75 h THR 428 Ca 0.00 -0.74 0.00 0.00 -0.55 0.00 0.00 66.41 65.12 3a75 h THR 428 Cb 0.00 1.55 0.00 0.00 -1.73 0.00 0.00 68.15 67.97 3a75 h THR 428 CO 0.00 0.12 0.00 0.61 -0.25 0.00 0.00 175.52 176.00 3a75 n GLY 429 N -0.15 0.82 3.72 5.82 0.00 0.18 -5.03 105.19 110.53 3a75 n GLY 429 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.35 4.66 -0.08 -0.61 1.01 -1.26 -4.93 121.20 117.65 3a75 s ILE 430 Ca 0.00 1.99 0.02 0.00 0.00 0.00 0.00 60.65 62.66 3a75 s ILE 430 Cb 0.00 -4.28 -0.02 0.00 0.01 0.00 0.00 42.46 38.17 3a75 s ILE 430 CO 0.00 0.20 -0.14 -0.32 0.00 0.00 0.00 174.94 174.69 3a75 s MET 431 N 0.70 2.80 -0.15 2.79 1.75 -1.26 -0.08 119.30 125.85 3a75 s MET 431 Ca 0.51 -0.69 -0.29 0.00 -1.25 0.00 0.00 55.69 53.97 3a75 s MET 431 Cb -0.23 -2.47 -0.04 0.00 2.84 0.00 0.00 34.83 34.93 3a75 s MET 431 CO 0.29 0.49 1.67 0.08 -0.65 0.00 0.00 175.02 176.89 3a75 s VAL 432 N -0.38 3.61 0.12 10.11 1.01 0.20 -4.90 120.40 130.18 3a75 s VAL 432 Ca 0.04 0.71 -0.35 0.00 0.00 0.00 0.00 61.98 62.37 3a75 s VAL 432 Cb -0.12 -3.57 -0.15 0.00 0.00 0.00 0.00 36.38 32.54 3a75 s VAL 432 CO 0.02 -0.18 1.46 -2.65 0.00 0.00 0.00 175.10 173.74 3a75 n PRO 433 N 7.51 1.62 -1.04 2.72 -0.02 -1.26 -1.50 135.00 143.04 3a75 n PRO 433 Ca 0.19 0.59 -0.01 0.00 -2.02 0.00 0.00 63.50 62.24 3a75 n PRO 433 Cb 0.44 -2.29 -0.01 0.00 -0.02 0.00 0.00 33.50 31.63 3a75 n PRO 433 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3a75 n ASP 434 N 2.96 -4.65 0.00 2.55 8.00 -1.26 -4.77 116.55 119.39 3a75 n ASP 434 Ca 0.18 0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.71 3a75 n ASP 434 Cb 0.24 -2.26 0.00 0.00 -0.02 0.00 0.00 41.12 39.08 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 -2.46 0.00 -0.96 1.24 4.01 -0.56 -5.04 117.16 113.38 3a75 n TYR 435 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 3a75 n TYR 435 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.32 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 0.54 0.21 3.66 2.72 0.00 -1.03 -4.96 105.19 106.33 3a75 n GLY 436 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.47 4.98 -0.06 1.61 1.01 -1.26 -4.86 120.40 120.36 3a75 s VAL 437 Ca 0.00 1.29 -0.28 0.00 0.00 0.00 0.00 61.98 62.99 3a75 s VAL 437 Cb 0.00 -3.99 -0.02 0.00 0.00 0.00 0.00 36.38 32.36 3a75 s VAL 437 CO 0.00 0.09 0.93 -0.63 0.00 0.00 0.00 175.10 175.49 3a75 s ILE 438 N 2.00 4.87 -0.06 2.22 -1.09 -1.26 -0.63 121.20 127.25 3a75 s ILE 438 Ca 0.31 1.92 -0.17 0.00 -2.23 0.00 0.00 60.65 60.48 3a75 s ILE 438 Cb -0.16 -4.26 -0.05 0.00 -1.58 0.00 0.00 42.46 36.41 3a75 s ILE 438 CO 0.11 0.11 0.47 -0.76 -1.23 0.00 0.00 174.94 173.64 3a75 s LEU 439 N 1.40 4.37 0.88 2.97 1.43 0.89 -4.99 118.68 125.62 3a75 s LEU 439 Ca 0.47 0.92 -0.10 0.00 -1.03 0.00 0.00 54.13 54.39 3a75 s LEU 439 Cb -0.19 -2.69 0.12 0.00 0.03 0.00 0.00 46.19 43.46 3a75 s LEU 439 CO 0.22 0.13 1.13 0.54 0.23 0.00 0.00 176.35 178.60 3a75 s ASN 440 N -0.12 3.33 -0.25 2.29 4.22 -1.26 -1.24 114.94 121.91 3a75 s ASN 440 Ca 0.26 2.07 0.10 0.00 -2.14 0.00 0.00 52.86 53.14 3a75 s ASN 440 Cb -0.16 -2.55 0.44 0.00 1.28 0.00 0.00 41.25 40.27 3a75 s ASN 440 CO 0.12 -2.83 1.26 -0.46 -2.04 0.00 0.00 177.10 173.16 3a75 n ASN 441 N -4.05 2.66 -0.25 3.54 6.94 -0.93 -4.27 115.26 118.91 3a75 n ASN 441 Ca 0.11 -3.86 0.19 0.00 -0.02 0.00 0.00 54.58 51.00 3a75 n ASN 441 Cb 0.52 -0.51 0.50 0.00 -2.36 0.00 0.00 39.78 37.94 3a75 n ASN 441 CO 0.00 0.00 0.00 -0.33 -1.03 0.00 0.00 177.26 175.90 3a75 h GLU 442 N 1.29 0.41 0.00 -3.83 4.39 -1.93 -1.48 114.58 113.43 3a75 h GLU 442 Ca 0.13 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.80 3a75 h GLU 442 Cb 1.22 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.77 3a75 h GLU 442 CO 0.26 0.27 0.00 1.28 -1.16 0.00 0.00 179.01 179.66 3a75 n LEU 443 N -4.52 0.52 0.00 1.33 4.32 -1.26 -1.06 117.00 116.33 3a75 n LEU 443 Ca 0.19 0.72 0.12 0.00 -0.02 0.00 0.00 56.01 57.02 3a75 n LEU 443 Cb 0.69 -0.75 0.60 0.00 -1.62 0.00 0.00 43.42 42.34 3a75 n LEU 443 CO 0.30 -0.83 0.89 0.35 -1.22 0.00 0.00 177.39 176.88 3a75 n THR 444 N -2.17 0.23 0.61 -5.08 -2.24 -0.56 -1.79 114.28 103.29 3a75 n THR 444 Ca -0.01 0.06 0.11 0.00 -2.27 0.00 0.00 64.05 61.94 3a75 n THR 444 Cb 0.07 -0.67 0.44 0.00 -2.10 0.00 0.00 70.33 68.07 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 -1.26 0.30 -4.83 3.42 9.92 -0.22 -4.72 116.55 119.15 3a75 n ASP 445 Ca 0.12 0.55 -0.32 0.00 -0.53 0.00 0.00 54.79 54.61 3a75 n ASP 445 Cb 0.18 -0.62 -0.02 0.00 -0.64 0.00 0.00 41.12 40.02 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 -3.10 3.34 0.39 1.24 0.08 -0.74 -4.22 117.98 114.97 3a75 s PHE 446 Ca 0.08 1.47 -0.28 0.00 0.12 0.00 0.00 56.93 58.32 3a75 s PHE 446 Cb 0.12 -2.84 -0.11 0.00 -0.57 0.00 0.00 43.02 39.62 3a75 s PHE 446 CO 0.41 -0.60 1.48 -0.51 -0.10 0.00 0.00 175.22 175.90 3a75 s ASP 447 N -3.08 6.27 0.07 1.36 1.01 -0.18 -4.93 116.67 117.18 3a75 s ASP 447 Ca 0.60 3.04 -0.09 0.00 0.71 0.00 0.00 52.55 56.81 3a75 s ASP 447 Cb -0.12 -2.67 -0.27 0.00 1.01 0.00 0.00 42.92 40.87 3a75 s ASP 447 CO 0.35 -0.92 1.13 0.00 0.21 0.00 0.00 175.17 175.93 3a75 h ALA 448 N 2.90 0.05 -2.49 5.23 0.00 -1.90 -3.39 119.26 119.66 3a75 h ALA 448 Ca -0.51 -0.84 -0.65 0.00 0.00 0.00 0.00 54.91 52.91 3a75 h ALA 448 Cb 1.24 0.06 -0.16 0.00 0.00 0.00 0.00 17.79 18.94 3a75 h ALA 448 CO 0.64 0.84 -0.13 0.42 0.00 0.00 0.00 179.25 181.01 3a75 s ILE 449 N -2.78 5.06 1.10 0.00 1.01 -1.26 -5.01 121.20 119.32 3a75 s ILE 449 Ca -0.06 0.21 -0.12 0.00 0.00 0.00 0.00 60.65 60.68 3a75 s ILE 449 Cb 0.06 -3.93 0.25 0.00 0.01 0.00 0.00 42.46 38.85 3a75 s ILE 449 CO 0.91 -0.19 1.05 -2.16 0.00 0.00 0.00 174.94 174.55 3a75 s PRO 450 N 2.27 -0.41 0.00 2.79 0.04 -1.26 -4.58 135.00 133.85 3a75 s PRO 450 Ca 0.16 0.79 0.00 0.00 0.04 0.00 0.00 61.00 61.99 3a75 s PRO 450 Cb -0.16 -1.62 0.00 0.00 0.04 0.00 0.00 34.50 32.76 3a75 s PRO 450 CO 0.13 -3.37 0.00 0.41 0.04 0.00 0.00 177.00 174.21 3a75 n GLY 451 N 0.19 2.61 3.31 0.56 0.00 -1.26 -5.03 105.19 105.57 3a75 n GLY 451 Ca 0.04 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.78 0.91 0.34 -0.02 0.00 -1.26 -4.96 105.19 99.41 3a75 n GLY 452 Ca 0.00 -2.06 0.09 0.00 0.00 0.00 0.00 46.02 44.05 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 -0.44 1.89 -0.82 4.61 0.00 -1.98 -2.47 119.26 120.03 3a75 h ALA 453 Ca -0.27 -0.02 -0.34 0.00 0.00 0.00 0.00 54.91 54.28 3a75 h ALA 453 Cb 1.05 -0.12 -0.20 0.00 0.00 0.00 0.00 17.79 18.51 3a75 h ALA 453 CO 0.31 0.01 0.41 -1.71 0.00 0.00 0.00 179.25 178.27 3a75 n ASN 454 N -4.47 4.26 -4.79 0.00 4.05 -1.26 -4.99 115.26 108.05 3a75 n ASN 454 Ca 0.08 -3.41 -0.31 0.00 0.45 0.00 0.00 54.58 51.39 3a75 n ASN 454 Cb 0.26 -0.78 0.08 0.00 1.23 0.00 0.00 39.78 40.57 3a75 n ASN 454 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 177.26 172.38 3a75 s GLU 455 N -3.14 2.44 0.27 1.20 -1.05 -0.93 -1.01 118.70 116.47 3a75 s GLU 455 Ca 0.55 0.97 -0.29 0.00 -0.15 0.00 0.00 54.97 56.05 3a75 s GLU 455 Cb 0.46 -1.93 -0.09 0.00 -0.44 0.00 0.00 34.13 32.12 3a75 s GLU 455 CO 0.12 -1.46 1.14 0.08 0.95 0.00 0.00 175.26 176.09 3a75 s VAL 456 N -3.00 3.42 -0.05 1.83 1.01 -1.26 -4.83 120.40 117.52 3a75 s VAL 456 Ca 0.60 1.38 -0.08 0.00 0.00 0.00 0.00 61.98 63.87 3a75 s VAL 456 Cb -0.15 -3.88 0.01 0.00 0.00 0.00 0.00 36.38 32.36 3a75 s VAL 456 CO 0.55 0.31 0.20 -1.10 0.00 0.00 0.00 175.10 175.06 3a75 s GLN 457 N -1.24 0.37 0.29 2.72 -1.52 -1.26 -4.99 119.66 114.03 3a75 s GLN 457 Ca 0.47 0.01 -0.30 0.00 -1.95 0.00 0.00 55.36 53.59 3a75 s GLN 457 Cb -0.33 0.17 -0.12 0.00 -0.22 0.00 0.00 33.01 32.51 3a75 s GLN 457 CO 0.42 -0.08 1.49 -0.35 -0.25 0.00 0.00 175.29 176.52 3a75 n PRO 458 N 2.28 2.42 -0.94 2.91 -0.04 -1.26 -1.83 135.00 138.53 3a75 n PRO 458 Ca -0.17 0.86 0.00 0.00 -0.04 0.00 0.00 63.50 64.15 3a75 n PRO 458 Cb 0.57 -2.58 0.00 0.00 -0.04 0.00 0.00 33.50 31.46 3a75 n PRO 458 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 3a75 n ASN 459 N 1.89 -2.98 -4.91 3.54 5.15 -1.26 -5.01 115.26 111.67 3a75 n ASN 459 Ca 0.09 0.00 -0.28 0.00 -0.60 0.00 0.00 54.58 53.79 3a75 n ASN 459 Cb 0.35 -1.49 -0.03 0.00 -0.53 0.00 0.00 39.78 38.08 3a75 n ASN 459 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 3a75 s LYS 460 N -0.68 3.60 -0.14 1.20 2.20 -0.76 -5.09 119.74 120.07 3a75 s LYS 460 Ca 0.00 -0.07 -0.07 0.00 -0.36 0.00 0.00 55.97 55.48 3a75 s LYS 460 Cb 0.00 -2.66 -0.04 0.00 -1.51 0.00 0.00 37.83 33.62 3a75 s LYS 460 CO 0.00 0.21 0.10 1.03 -0.36 0.00 0.00 175.35 176.33 3a75 s ARG 461 N -3.67 3.60 0.41 4.03 0.52 -1.26 -4.84 118.95 117.73 3a75 s ARG 461 Ca 0.43 -0.24 -0.25 0.00 -0.52 0.00 0.00 55.73 55.15 3a75 s ARG 461 Cb -0.11 -3.17 -0.08 0.00 0.52 0.00 0.00 34.95 32.12 3a75 s ARG 461 CO 0.31 0.58 1.20 -1.25 0.02 0.00 0.00 175.30 176.17 3a75 s PRO 462 N -0.49 3.98 0.23 3.54 0.04 -1.26 -4.95 135.00 136.10 3a75 s PRO 462 Ca 0.11 1.91 -0.31 0.00 0.04 0.00 0.00 61.00 62.75 3a75 s PRO 462 Cb -0.12 -2.66 -0.13 0.00 0.04 0.00 0.00 34.50 31.63 3a75 s PRO 462 CO 0.02 -0.40 1.41 -0.11 0.04 0.00 0.00 177.00 177.95 3a75 n LEU 463 N 0.01 3.04 -4.74 -3.56 7.94 -1.26 -4.93 117.00 113.49 3a75 n LEU 463 Ca 0.05 1.14 -0.23 0.00 -1.11 0.00 0.00 56.01 55.85 3a75 n LEU 463 Cb 0.46 -1.42 -0.06 0.00 0.53 0.00 0.00 43.42 42.93 3a75 n LEU 463 CO 0.51 -0.51 -0.18 -0.55 -1.11 0.00 0.00 177.39 175.55 3a75 s SER 464 N 0.31 4.67 0.00 1.96 0.15 -1.26 -4.83 113.70 114.70 3a75 s SER 464 Ca 0.69 -0.81 0.01 0.00 0.70 0.00 0.00 55.95 56.54 3a75 s SER 464 Cb -0.66 -0.69 0.03 0.00 -1.71 0.00 0.00 66.02 62.99 3a75 s SER 464 CO 0.49 -0.35 1.00 -1.20 1.20 0.00 0.00 173.24 174.38 3a75 n SER 465 N -1.18 2.04 -4.75 5.45 7.64 -1.26 -5.05 113.62 116.51 3a75 n SER 465 Ca -0.02 -1.96 -0.41 0.00 1.01 0.00 0.00 58.87 57.48 3a75 n SER 465 Cb 0.62 -0.02 -0.02 0.00 -1.01 0.00 0.00 64.21 63.78 3a75 n SER 465 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 3a75 s MET 466 N -0.96 4.15 -0.41 1.43 -1.94 -1.26 -4.39 119.30 115.93 3a75 s MET 466 Ca 0.02 2.52 0.11 0.00 -1.71 0.00 0.00 55.69 56.62 3a75 s MET 466 Cb 0.01 -3.04 0.41 0.00 2.01 0.00 0.00 34.83 34.22 3a75 s MET 466 CO 0.01 -0.58 0.97 2.41 -0.01 0.00 0.00 175.02 177.82 3a75 n THR 467 N 2.17 1.60 -1.75 2.05 -1.04 -1.26 -5.07 114.28 110.98 3a75 n THR 467 Ca 0.08 -4.32 -0.42 0.00 -2.04 0.00 0.00 64.05 57.34 3a75 n THR 467 Cb 0.38 -0.45 -0.03 0.00 -1.82 0.00 0.00 70.33 68.41 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 -3.21 4.13 0.02 -2.82 0.04 -1.26 -4.53 135.00 127.36 3a75 s PRO 468 Ca 0.40 2.58 -0.03 0.00 0.04 0.00 0.00 61.00 63.99 3a75 s PRO 468 Cb 0.40 -3.07 -0.01 0.00 0.04 0.00 0.00 34.50 31.85 3a75 s PRO 468 CO -0.08 -0.72 0.03 0.99 0.04 0.00 0.00 177.00 177.26 3a75 s THR 469 N 0.92 0.11 -0.04 1.26 2.01 0.13 -5.02 115.64 115.02 3a75 s THR 469 Ca 0.72 -0.93 0.01 0.00 0.31 0.00 0.00 61.69 61.80 3a75 s THR 469 Cb -0.49 -0.46 0.02 0.00 0.01 0.00 0.00 72.50 71.58 3a75 s THR 469 CO 0.35 -0.51 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.12 3a75 s ILE 470 N -1.73 0.36 -0.08 1.82 1.01 -1.26 -1.73 121.20 119.59 3a75 s ILE 470 Ca -0.13 -0.02 -0.04 0.00 0.00 0.00 0.00 60.65 60.46 3a75 s ILE 470 Cb -0.07 -0.42 -0.04 0.00 0.01 0.00 0.00 42.46 41.94 3a75 s ILE 470 CO -0.01 0.18 0.08 -0.76 0.00 0.00 0.00 174.94 174.44 3a75 s LEU 471 N 0.96 4.01 0.15 2.97 1.02 0.24 -4.99 118.68 123.05 3a75 s LEU 471 Ca -0.11 0.28 0.10 0.00 0.02 0.00 0.00 54.13 54.42 3a75 s LEU 471 Cb -0.14 -2.06 -0.04 0.00 0.02 0.00 0.00 46.19 43.96 3a75 s LEU 471 CO -0.01 0.36 -0.17 -0.36 0.02 0.00 0.00 176.35 176.19 3a75 s PHE 472 N -1.04 2.50 -0.08 0.29 0.08 -1.26 -0.58 117.98 117.90 3a75 s PHE 472 Ca 0.17 -0.28 -0.03 0.00 0.12 0.00 0.00 56.93 56.91 3a75 s PHE 472 Cb -0.12 -1.28 0.04 0.00 -0.57 0.00 0.00 43.02 41.10 3a75 s PHE 472 CO 0.06 0.44 0.15 0.21 -0.10 0.00 0.00 175.22 175.99 3a75 s LYS 473 N -2.45 0.04 -1.50 0.44 2.47 0.13 -4.84 119.74 114.04 3a75 s LYS 473 Ca 0.20 0.51 -0.12 0.00 -1.56 0.00 0.00 55.97 55.01 3a75 s LYS 473 Cb -0.09 -0.25 0.07 0.00 -1.46 0.00 0.00 37.83 36.09 3a75 s LYS 473 CO 0.11 -0.27 0.93 -0.25 0.16 0.00 0.00 175.35 176.03 3a75 n ASP 474 N 5.05 -4.16 0.00 1.43 8.00 -1.26 -1.50 116.55 124.11 3a75 n ASP 474 Ca -0.10 -0.79 0.00 0.00 0.71 0.00 0.00 54.79 54.60 3a75 n ASP 474 Cb 0.50 -3.87 0.00 0.00 -0.02 0.00 0.00 41.12 37.73 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 -2.87 -3.35 -4.35 -2.24 9.92 -1.26 -5.01 116.55 107.38 3a75 n ASP 475 Ca -0.01 0.00 -0.30 0.00 -0.53 0.00 0.00 54.79 53.94 3a75 n ASP 475 Cb 0.55 -1.68 -0.15 0.00 -0.64 0.00 0.00 41.12 39.21 3a75 n ASP 475 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 3a75 s LYS 476 N -0.79 1.93 0.09 -1.24 1.02 -0.56 -5.08 119.74 115.10 3a75 s LYS 476 Ca 0.00 -1.04 -0.31 0.00 0.02 0.00 0.00 55.97 54.64 3a75 s LYS 476 Cb 0.00 -2.03 -0.08 0.00 -0.52 0.00 0.00 37.83 35.20 3a75 s LYS 476 CO 0.00 0.53 1.44 -1.25 -0.92 0.00 0.00 175.35 175.15 3a75 s PRO 477 N -1.10 4.29 0.00 -1.68 0.04 -1.26 -0.69 135.00 134.59 3a75 s PRO 477 Ca 0.12 2.11 0.00 0.00 0.04 0.00 0.00 61.00 63.26 3a75 s PRO 477 Cb -0.10 -3.35 0.00 0.00 0.04 0.00 0.00 34.50 31.08 3a75 s PRO 477 CO 0.02 -0.52 0.00 1.33 0.04 0.00 0.00 177.00 177.87 3a75 n VAL 478 N 4.20 0.00 -3.71 -0.36 0.24 0.26 -4.66 118.33 114.30 3a75 n VAL 478 Ca 0.13 -0.25 -0.13 0.00 -2.04 0.00 0.00 64.34 62.05 3a75 n VAL 478 Cb 0.42 0.76 -0.10 0.00 -1.47 0.00 0.00 33.84 33.46 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 -2.16 0.11 0.09 1.34 2.96 -1.05 -1.21 118.68 118.76 3a75 s LEU 479 Ca 0.00 0.96 0.08 0.00 -0.22 0.00 0.00 54.13 54.95 3a75 s LEU 479 Cb 0.00 1.59 -0.04 0.00 0.50 0.00 0.00 46.19 48.25 3a75 s LEU 479 CO 0.00 -0.17 -0.17 0.42 -1.32 0.00 0.00 176.35 175.11 3a75 s THR 480 N 0.50 2.91 -0.05 3.68 -4.23 0.94 -0.59 115.64 118.81 3a75 s THR 480 Ca -0.02 -1.36 -0.10 0.00 -1.18 0.00 0.00 61.69 59.03 3a75 s THR 480 Cb -0.04 -2.31 0.02 0.00 1.34 0.00 0.00 72.50 71.51 3a75 s THR 480 CO -0.02 0.18 0.24 -0.69 -0.54 0.00 0.00 174.62 173.79 3a75 s VAL 481 N -1.08 0.04 0.02 2.29 1.01 -0.71 -3.12 120.40 118.85 3a75 s VAL 481 Ca 0.17 -0.33 -0.29 0.00 0.00 0.00 0.00 61.98 61.53 3a75 s VAL 481 Cb -0.11 -0.46 0.10 0.00 0.00 0.00 0.00 36.38 35.92 3a75 s VAL 481 CO 0.09 -0.18 1.14 -0.83 0.00 0.00 0.00 175.10 175.32 3a75 s GLY 482 N -0.72 -0.34 -0.08 4.51 0.00 -1.24 -0.69 107.32 108.76 3a75 s GLY 482 Ca -0.08 0.63 -0.30 0.00 0.00 0.00 0.00 44.72 44.97 3a75 s GLY 482 CO 0.02 0.14 0.97 -0.45 0.00 0.00 0.00 173.10 173.79 3a75 s SER 483 N -2.84 -0.33 0.56 1.64 0.15 -1.26 -3.35 113.70 108.27 3a75 s SER 483 Ca 0.12 0.10 0.06 0.00 0.70 0.00 0.00 55.95 56.94 3a75 s SER 483 Cb 0.02 0.32 0.07 0.00 -1.71 0.00 0.00 66.02 64.72 3a75 s SER 483 CO -0.02 -0.48 0.77 -2.16 1.20 0.00 0.00 173.24 172.54 3a75 s PRO 484 N -2.47 2.36 0.00 5.44 0.04 -1.26 -4.65 135.00 134.46 3a75 s PRO 484 Ca 0.04 -1.34 0.00 0.00 0.04 0.00 0.00 61.00 59.74 3a75 s PRO 484 Cb -0.01 -2.60 0.00 0.00 0.04 0.00 0.00 34.50 31.93 3a75 s PRO 484 CO -0.06 -0.79 0.00 0.41 0.04 0.00 0.00 177.00 176.60 3a75 n GLY 485 N -2.26 0.71 7.00 0.56 0.00 -1.26 -4.15 105.19 105.80 3a75 n GLY 485 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 2.59 0.33 -0.02 0.00 -1.26 -2.20 105.19 104.62 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 -0.84 1.13 0.00 4.61 0.00 -1.98 -1.95 119.26 120.24 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 1.79 0.00 0.00 0.00 179.25 181.04 3a75 h THR 488 N 0.00 0.01 -0.82 0.00 1.35 -1.81 -3.26 112.91 108.37 3a75 h THR 488 Ca -0.00 -0.53 0.19 0.00 -0.55 0.00 0.00 66.41 65.52 3a75 h THR 488 Cb 0.00 1.53 -0.12 0.00 -1.73 0.00 0.00 68.15 67.83 3a75 h THR 488 CO 0.00 0.00 0.28 0.40 -0.25 0.00 0.00 175.52 175.95 3a75 h ILE 489 N 0.00 0.48 -0.78 6.82 2.04 -1.45 -1.09 117.51 123.54 3a75 h ILE 489 Ca -0.00 -0.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 3a75 h ILE 489 Cb 0.53 0.12 -0.04 0.00 -0.74 0.00 0.00 36.82 36.70 3a75 h ILE 489 CO 0.00 0.06 0.45 0.40 0.00 0.00 0.00 178.15 179.06 3a75 h ILE 490 N 0.33 1.23 -0.37 -0.67 2.04 -1.76 -1.72 117.51 116.58 3a75 h ILE 490 Ca 0.49 -0.53 -0.10 0.00 1.00 0.00 0.00 64.86 65.71 3a75 h ILE 490 Cb 0.89 0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 3a75 h ILE 490 CO -0.53 0.24 -0.20 0.28 0.00 0.00 0.00 178.15 177.95 3a75 h SER 491 N 1.07 0.72 -0.45 1.72 0.02 -1.46 0.11 113.55 115.27 3a75 h SER 491 Ca 0.28 -0.24 -0.09 0.00 -0.84 0.00 0.00 61.79 60.90 3a75 h SER 491 Cb -0.00 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.33 3a75 h SER 491 CO -0.05 0.91 -0.06 0.28 -1.14 0.00 0.00 176.83 176.77 3a75 h SER 492 N 0.63 0.83 -0.23 3.07 0.02 -0.75 -1.22 113.55 115.90 3a75 h SER 492 Ca 0.09 -0.34 -0.20 0.00 -0.84 0.00 0.00 61.79 60.51 3a75 h SER 492 Cb 0.68 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.00 3a75 h SER 492 CO 0.05 0.97 -0.63 0.58 -1.14 0.00 0.00 176.83 176.66 3a75 h VAL 493 N 0.67 1.27 -0.03 2.27 2.07 -1.28 -1.29 116.25 119.93 3a75 h VAL 493 Ca 0.12 -1.82 0.01 0.00 0.82 0.00 0.00 66.70 65.84 3a75 h VAL 493 Cb 0.58 1.75 -0.02 0.00 -1.52 0.00 0.00 31.29 32.09 3a75 h VAL 493 CO 0.03 0.59 -0.06 0.25 0.02 0.00 0.00 177.57 178.41 3a75 h LEU 494 N 0.63 -0.16 -0.65 2.57 5.85 -0.92 -2.54 115.31 120.08 3a75 h LEU 494 Ca -0.01 0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.67 3a75 h LEU 494 Cb 1.25 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 42.33 3a75 h LEU 494 CO 0.14 -0.08 0.13 1.56 -0.34 0.00 0.00 178.44 179.85 3a75 h GLN 495 N -0.08 1.06 -0.43 1.25 4.20 -1.16 -0.42 115.11 119.52 3a75 h GLN 495 Ca 0.03 -0.27 -0.01 0.00 0.06 0.00 0.00 58.65 58.46 3a75 h GLN 495 Cb 0.13 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 3a75 h GLN 495 CO -0.08 0.97 0.24 1.15 -0.67 0.00 0.00 178.83 180.44 3a75 h THR 496 N 0.98 1.16 -0.56 -0.54 2.02 -1.20 -1.17 112.91 113.60 3a75 h THR 496 Ca 0.20 -0.40 -0.05 0.00 0.77 0.00 0.00 66.41 66.93 3a75 h THR 496 Cb 0.40 0.64 -0.03 0.00 -1.74 0.00 0.00 68.15 67.42 3a75 h THR 496 CO 0.01 0.16 0.13 0.40 0.37 0.00 0.00 175.52 176.59 3a75 h ILE 497 N 0.56 1.23 -0.08 3.11 2.04 -1.22 -0.88 117.51 122.28 3a75 h ILE 497 Ca 0.15 -0.84 -0.01 0.00 1.00 0.00 0.00 64.86 65.16 3a75 h ILE 497 Cb 0.05 0.66 -0.00 0.00 -0.74 0.00 0.00 36.82 36.79 3a75 h ILE 497 CO -0.02 0.32 0.03 -0.07 0.00 0.00 0.00 178.15 178.40 3a75 h LEU 498 N 0.84 0.11 -0.45 1.44 4.07 -0.66 0.18 115.31 120.85 3a75 h LEU 498 Ca 0.18 -0.18 -0.08 0.00 0.08 0.00 0.00 57.88 57.88 3a75 h LEU 498 Cb 0.31 -0.03 -0.02 0.00 1.08 0.00 0.00 40.66 42.01 3a75 h LEU 498 CO -0.00 0.26 -0.04 1.88 -1.08 0.00 0.00 178.44 179.46 3a75 h TYR 499 N -0.04 0.90 -0.09 1.13 0.05 -1.12 0.12 116.97 117.93 3a75 h TYR 499 Ca 0.03 -0.17 -0.22 0.00 0.05 0.00 0.00 58.73 58.41 3a75 h TYR 499 Cb 0.18 -0.23 0.01 0.00 1.01 0.00 0.00 36.73 37.70 3a75 h TYR 499 CO -0.01 0.89 -0.83 1.25 -1.05 0.00 0.00 178.16 178.41 3a75 h HIS 500 N 0.66 0.88 0.00 4.88 2.76 -1.14 -1.05 115.15 122.14 3a75 h HIS 500 Ca 0.12 -0.42 -0.25 0.00 -2.20 0.00 0.00 60.37 57.62 3a75 h HIS 500 Cb 0.56 -0.13 -0.04 0.00 1.55 0.00 0.00 27.41 29.35 3a75 h HIS 500 CO 0.04 1.23 -1.59 -0.89 -1.30 0.00 0.00 177.93 175.43 3a75 n ILE 501 N -3.87 1.51 0.04 6.26 5.41 0.64 -3.22 119.36 126.13 3a75 n ILE 501 Ca -0.07 -0.10 -0.11 0.00 1.00 0.00 0.00 62.75 63.47 3a75 n ILE 501 Cb 0.77 -2.07 0.02 0.00 -0.71 0.00 0.00 39.64 37.65 3a75 n ILE 501 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 3a75 h GLU 502 N -1.00 0.46 -0.08 0.38 4.57 -0.90 -3.16 114.58 114.86 3a75 h GLU 502 Ca -0.38 -0.37 0.00 0.00 -1.18 0.00 0.00 59.36 57.43 3a75 h GLU 502 Cb 1.27 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.93 3a75 h GLU 502 CO -0.23 1.00 0.00 0.66 -1.18 0.00 0.00 179.01 179.26 3a75 n TYR 503 N -3.86 0.08 -2.53 0.92 4.01 -0.83 -4.96 117.16 109.99 3a75 n TYR 503 Ca -0.05 -0.04 -0.19 0.00 -0.16 0.00 0.00 57.90 57.46 3a75 n TYR 503 Cb 0.70 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.73 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 1.28 -0.50 3.79 2.72 0.00 -1.19 -4.96 105.19 106.33 3a75 n GLY 504 Ca 0.17 0.02 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 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 -5.17 4.51 0.54 1.61 -1.94 -0.40 -4.99 119.30 113.45 3a75 s MET 505 Ca 0.06 1.19 -0.20 0.00 -1.71 0.00 0.00 55.69 55.03 3a75 s MET 505 Cb -0.03 -2.91 -0.07 0.00 2.01 0.00 0.00 34.83 33.83 3a75 s MET 505 CO 0.07 0.37 0.88 -1.91 -0.01 0.00 0.00 175.02 174.42 3a75 n GLU 506 N 0.80 0.95 -0.10 2.03 0.00 -1.26 -4.34 120.64 118.71 3a75 n GLU 506 Ca -0.00 0.36 -0.07 0.00 0.00 0.00 0.00 57.16 57.44 3a75 n GLU 506 Cb 0.50 -2.03 0.01 0.00 0.00 0.00 0.00 31.44 29.92 3a75 n GLU 506 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 3a75 h LEU 507 N 0.75 0.20 -1.01 4.31 5.85 -1.95 -0.55 115.31 122.91 3a75 h LEU 507 Ca -0.47 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.24 3a75 h LEU 507 Cb 1.36 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 42.36 3a75 h LEU 507 CO 0.52 0.15 0.22 0.50 -0.34 0.00 0.00 178.44 179.49 3a75 h LYS 508 N 0.31 0.94 -0.50 1.25 1.63 -1.96 -1.67 116.57 116.56 3a75 h LYS 508 Ca 0.15 -0.16 -0.12 0.00 -0.85 0.00 0.00 60.65 59.67 3a75 h LYS 508 Cb 0.09 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 31.55 3a75 h LYS 508 CO -0.13 0.78 -0.15 0.00 -3.45 0.00 0.00 179.45 176.50 3a75 h ALA 509 N 1.33 0.69 -0.52 5.00 0.00 -1.78 -0.68 119.26 123.30 3a75 h ALA 509 Ca 0.21 -0.37 0.05 0.00 0.00 0.00 0.00 54.91 54.80 3a75 h ALA 509 Cb 0.22 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 3a75 h ALA 509 CO -0.01 0.64 0.27 0.00 0.00 0.00 0.00 179.25 180.14 3a75 h ALA 510 N 0.89 0.67 -0.87 0.00 0.00 -0.75 -0.25 119.26 118.94 3a75 h ALA 510 Ca 0.12 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3a75 h ALA 510 Cb 0.72 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 3a75 h ALA 510 CO 0.06 -0.08 0.55 0.28 0.00 0.00 0.00 179.25 180.06 3a75 h VAL 511 N 0.52 1.23 0.00 0.00 2.07 -0.94 -2.69 116.25 116.44 3a75 h VAL 511 Ca 0.23 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 67.29 3a75 h VAL 511 Cb 0.14 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 29.89 3a75 h VAL 511 CO -0.16 0.23 -0.10 -0.62 0.02 0.00 0.00 177.57 176.94 3a75 n GLU 512 N -4.45 0.03 -1.71 1.57 -0.58 -0.29 -4.89 120.64 110.32 3a75 n GLU 512 Ca 0.09 0.02 -0.43 0.00 -0.42 0.00 0.00 57.16 56.42 3a75 n GLU 512 Cb 0.03 -1.53 -0.02 0.00 -0.57 0.00 0.00 31.44 29.35 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 -1.59 2.40 -1.71 3.49 4.07 -0.15 -4.84 120.64 122.31 3a75 n GLU 513 Ca 0.07 0.86 -0.43 0.00 -0.06 0.00 0.00 57.16 57.59 3a75 n GLU 513 Cb 0.35 -2.59 -0.02 0.00 -0.06 0.00 0.00 31.44 29.12 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 2.26 2.33 -3.86 5.31 -0.02 -1.26 -4.99 135.00 134.76 3a75 n PRO 514 Ca 0.11 0.83 -0.22 0.00 -2.02 0.00 0.00 63.50 62.20 3a75 n PRO 514 Cb 0.34 -2.53 -0.04 0.00 -0.02 0.00 0.00 33.50 31.25 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 -0.64 2.61 0.19 -0.52 0.52 -1.26 -4.91 118.95 114.94 3a75 s ARG 515 Ca 0.65 -1.39 0.02 0.00 -0.52 0.00 0.00 55.73 54.49 3a75 s ARG 515 Cb -0.58 -2.39 -0.05 0.00 0.52 0.00 0.00 34.95 32.46 3a75 s ARG 515 CO 0.51 0.07 0.02 0.96 0.02 0.00 0.00 175.30 176.88 3a75 s ILE 516 N -2.35 0.65 -0.21 1.52 -4.36 -1.26 -0.80 121.20 114.39 3a75 s ILE 516 Ca 0.41 -1.98 -0.16 0.00 -0.26 0.00 0.00 60.65 58.66 3a75 s ILE 516 Cb -0.05 -2.23 0.06 0.00 1.25 0.00 0.00 42.46 41.50 3a75 s ILE 516 CO 0.26 -0.38 0.54 -0.47 0.24 0.00 0.00 174.94 175.13 3a75 s TYR 517 N -3.68 -0.70 -0.19 1.37 5.04 -0.00 -4.86 117.35 114.32 3a75 s TYR 517 Ca 0.27 1.55 -0.07 0.00 -2.44 0.00 0.00 57.07 56.38 3a75 s TYR 517 Cb 0.06 0.31 0.09 0.00 0.35 0.00 0.00 41.96 42.77 3a75 s TYR 517 CO 0.06 -0.35 0.41 0.99 -1.34 0.00 0.00 175.55 175.32 3a75 s THR 518 N 0.89 -0.56 -1.72 4.34 2.01 -1.26 -0.37 115.64 118.96 3a75 s THR 518 Ca -0.05 0.17 0.19 0.00 0.31 0.00 0.00 61.69 62.31 3a75 s THR 518 Cb -0.05 -0.65 -0.00 0.00 0.01 0.00 0.00 72.50 71.81 3a75 s THR 518 CO -0.07 0.07 0.95 -0.46 -0.69 0.00 0.00 174.62 174.42 3a75 n ASN 519 N 5.25 1.81 -3.53 3.53 6.94 -1.19 -5.03 115.26 123.05 3a75 n ASN 519 Ca -0.10 -1.41 -0.05 0.00 -0.02 0.00 0.00 54.58 53.01 3a75 n ASN 519 Cb 0.50 0.46 0.00 0.00 -2.36 0.00 0.00 39.78 38.38 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 -2.12 -0.11 0.22 0.53 1.04 -1.25 -5.01 113.70 107.00 3a75 s SER 520 Ca 0.16 -0.62 0.21 0.00 0.48 0.00 0.00 55.95 56.17 3a75 s SER 520 Cb 0.15 0.58 0.91 0.00 0.10 0.00 0.00 66.02 67.76 3a75 s SER 520 CO 0.47 -1.10 1.63 0.23 0.98 0.00 0.00 173.24 175.44 3a75 n MET 521 N -0.54 0.14 -0.25 4.02 2.81 -1.26 -2.52 117.12 119.53 3a75 n MET 521 Ca -0.05 0.45 0.08 0.00 -1.81 0.00 0.00 57.70 56.36 3a75 n MET 521 Cb 0.60 -1.82 0.18 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 -2.10 3.09 -3.46 7.83 3.41 -1.26 -4.63 113.62 116.51 3a75 n SER 522 Ca 0.01 -2.77 -0.17 0.00 -0.26 0.00 0.00 58.87 55.68 3a75 n SER 522 Cb 0.17 -0.41 -0.12 0.00 -0.26 0.00 0.00 64.21 63.59 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 -1.97 1.33 0.03 4.04 0.15 -1.05 -5.11 113.70 111.13 3a75 s SER 523 Ca 0.32 -0.27 0.03 0.00 0.70 0.00 0.00 55.95 56.73 3a75 s SER 523 Cb 0.25 0.48 -0.02 0.00 -1.71 0.00 0.00 66.02 65.02 3a75 s SER 523 CO 0.07 -0.34 -0.11 -0.31 1.20 0.00 0.00 173.24 173.76 3a75 s TYR 524 N 2.35 0.92 -0.05 3.44 2.02 -1.26 -3.16 117.35 121.61 3a75 s TYR 524 Ca 0.08 -0.36 -0.08 0.00 -0.37 0.00 0.00 57.07 56.34 3a75 s TYR 524 Cb -0.15 -0.55 0.02 0.00 -0.40 0.00 0.00 41.96 40.87 3a75 s TYR 524 CO -0.16 -0.01 0.20 1.03 -1.57 0.00 0.00 175.55 175.04 3a75 s ARG 525 N -1.13 0.33 -0.00 -0.62 0.52 0.50 -4.71 118.95 113.84 3a75 s ARG 525 Ca -0.02 0.08 -0.07 0.00 -0.52 0.00 0.00 55.73 55.20 3a75 s ARG 525 Cb -0.08 0.15 0.00 0.00 0.52 0.00 0.00 34.95 35.55 3a75 s ARG 525 CO 0.01 -0.06 0.14 1.52 0.02 0.00 0.00 175.30 176.93 3a75 s TYR 526 N -0.37 0.02 0.41 -0.53 -0.85 -1.26 -0.82 117.35 113.95 3a75 s TYR 526 Ca -0.05 -0.09 -0.03 0.00 -0.52 0.00 0.00 57.07 56.38 3a75 s TYR 526 Cb -0.03 -0.04 -0.04 0.00 0.38 0.00 0.00 41.96 42.23 3a75 s TYR 526 CO 0.01 -0.28 0.67 -1.21 -1.52 0.00 0.00 175.55 173.22 3a75 s GLU 527 N -1.30 3.54 0.23 -3.49 2.02 0.02 -1.11 118.70 118.62 3a75 s GLU 527 Ca -0.14 -0.01 -0.32 0.00 0.02 0.00 0.00 54.97 54.52 3a75 s GLU 527 Cb -0.07 -2.51 -0.12 0.00 0.10 0.00 0.00 34.13 31.52 3a75 s GLU 527 CO 0.02 -0.02 1.66 -3.47 0.02 0.00 0.00 175.26 173.46 3a75 n ASP 528 N -1.91 3.79 0.00 -0.19 2.03 -1.26 -2.20 116.55 116.81 3a75 n ASP 528 Ca -0.02 1.09 0.00 0.00 0.52 0.00 0.00 54.79 56.39 3a75 n ASP 528 Cb 0.55 -1.56 0.00 0.00 -0.72 0.00 0.00 41.12 39.40 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 3.29 1.12 3.66 0.27 0.00 -1.26 -4.75 105.19 107.52 3a75 n GLY 529 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.29 3.37 0.17 1.61 1.01 -0.94 -4.86 120.40 119.47 3a75 s VAL 530 Ca 0.00 0.44 -0.33 0.00 0.00 0.00 0.00 61.98 62.09 3a75 s VAL 530 Cb 0.00 -3.30 -0.16 0.00 0.00 0.00 0.00 36.38 32.93 3a75 s VAL 530 CO 0.00 -0.05 1.21 -2.65 0.00 0.00 0.00 175.10 173.61 3a75 n PRO 531 N 7.35 1.23 -0.18 2.72 -0.02 -1.26 -4.79 135.00 140.04 3a75 n PRO 531 Ca 0.19 0.44 -0.08 0.00 -2.02 0.00 0.00 63.50 62.02 3a75 n PRO 531 Cb 0.42 -1.97 0.01 0.00 -0.02 0.00 0.00 33.50 31.95 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 3.60 0.80 -0.92 -0.52 1.79 -1.99 -0.04 116.57 119.30 3a75 h LYS 532 Ca -0.44 -0.16 0.12 0.00 -2.18 0.00 0.00 60.65 57.99 3a75 h LYS 532 Cb 1.34 -0.12 -0.07 0.00 -1.58 0.00 0.00 32.23 31.79 3a75 h LYS 532 CO 0.72 0.73 0.59 0.38 -1.08 0.00 0.00 179.45 180.78 3a75 h ASP 533 N 0.72 0.77 -0.19 0.86 2.03 -1.99 -0.56 116.42 118.04 3a75 h ASP 533 Ca 0.17 0.04 -0.04 0.00 -0.73 0.00 0.00 57.03 56.46 3a75 h ASP 533 Cb 0.25 -0.12 -0.01 0.00 -0.83 0.00 0.00 39.33 38.62 3a75 h ASP 533 CO -0.01 0.41 -0.05 0.58 -1.03 0.00 0.00 179.24 179.15 3a75 h VAL 534 N 0.83 1.29 -0.79 4.15 2.07 -1.66 -1.57 116.25 120.56 3a75 h VAL 534 Ca 0.45 -1.03 0.04 0.00 0.82 0.00 0.00 66.70 66.98 3a75 h VAL 534 Cb 0.56 1.57 -0.05 0.00 -1.52 0.00 0.00 31.29 31.85 3a75 h VAL 534 CO -0.21 0.31 0.52 -0.07 0.02 0.00 0.00 177.57 178.14 3a75 h LEU 535 N 0.09 0.82 -0.20 2.57 4.07 0.01 -1.32 115.31 121.36 3a75 h LEU 535 Ca 0.05 -0.01 -0.04 0.00 0.08 0.00 0.00 57.88 57.96 3a75 h LEU 535 Cb 0.49 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 42.04 3a75 h LEU 535 CO 0.02 0.56 -0.05 0.28 -1.08 0.00 0.00 178.44 178.17 3a75 h SER 536 N 0.95 0.38 -0.74 -0.43 0.02 -0.98 0.59 113.55 113.34 3a75 h SER 536 Ca 0.32 -0.36 -0.06 0.00 -0.84 0.00 0.00 61.79 60.85 3a75 h SER 536 Cb 0.09 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.49 3a75 h SER 536 CO -0.10 0.66 0.24 0.50 -1.14 0.00 0.00 176.83 176.99 3a75 h LYS 537 N 0.10 1.14 0.02 3.45 1.63 -0.97 -1.56 116.57 120.38 3a75 h LYS 537 Ca 0.05 -0.24 -0.00 0.00 -0.85 0.00 0.00 60.65 59.61 3a75 h LYS 537 Cb 0.49 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 31.95 3a75 h LYS 537 CO 0.02 0.97 -0.01 -0.07 -3.45 0.00 0.00 179.45 176.90 3a75 h LEU 538 N 1.09 -0.02 -1.34 5.20 3.38 -1.16 -2.87 115.31 119.58 3a75 h LEU 538 Ca 0.24 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 3a75 h LEU 538 Cb 0.29 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3a75 h LEU 538 CO -0.01 0.20 -0.21 0.78 0.09 0.00 0.00 178.44 179.29 3a75 h ASN 539 N -0.24 0.17 0.55 -0.43 4.21 -0.81 -1.20 115.58 117.83 3a75 h ASN 539 Ca -0.00 -0.04 -0.06 0.00 1.21 0.00 0.00 56.30 57.41 3a75 h ASN 539 Cb 0.23 -0.05 -0.01 0.00 -1.12 0.00 0.00 38.32 37.38 3a75 h ASN 539 CO 0.00 0.40 -0.27 1.23 -1.29 0.00 0.00 177.43 177.50 3a75 h GLY 540 N 0.84 0.00 2.00 2.83 0.00 -1.23 -2.27 103.07 105.24 3a75 h GLY 540 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 3a75 h GLY 540 CO 0.03 0.00 0.00 1.03 0.00 0.00 0.00 176.54 177.60 3a75 n MET 541 N -3.73 0.10 0.00 4.80 2.81 -0.47 -4.87 117.12 115.77 3a75 n MET 541 Ca -0.01 0.28 0.00 0.00 -1.81 0.00 0.00 57.70 56.16 3a75 n MET 541 Cb 0.38 -1.67 0.00 0.00 -0.71 0.00 0.00 33.22 31.22 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 0.34 1.53 3.68 3.03 0.00 -0.85 -5.12 105.19 107.80 3a75 n GLY 542 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.64 2.10 -0.38 1.61 4.02 -1.11 -4.99 115.29 114.89 3a75 s HIS 543 Ca 0.00 1.37 0.10 0.00 1.02 0.00 0.00 55.06 57.55 3a75 s HIS 543 Cb 0.00 -3.17 0.44 0.00 -1.02 0.00 0.00 32.58 28.83 3a75 s HIS 543 CO 0.00 -2.60 1.08 1.63 1.02 0.00 0.00 174.74 175.87 3a75 n LYS 544 N -4.04 2.75 -1.94 1.40 4.76 -1.26 -4.45 118.16 115.38 3a75 n LYS 544 Ca 0.07 -4.09 -0.41 0.00 -2.87 0.00 0.00 58.31 51.02 3a75 n LYS 544 Cb 0.54 -1.95 -0.02 0.00 -1.84 0.00 0.00 35.03 31.77 3a75 n LYS 544 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 3a75 s PHE 545 N -3.45 2.88 0.39 2.13 0.08 -1.26 -4.61 117.98 114.15 3a75 s PHE 545 Ca 0.42 1.09 -0.07 0.00 0.12 0.00 0.00 56.93 58.49 3a75 s PHE 545 Cb 0.41 -3.88 0.09 0.00 -0.57 0.00 0.00 43.02 39.07 3a75 s PHE 545 CO -0.10 -2.75 0.47 0.41 -0.10 0.00 0.00 175.22 173.15 3a75 n GLY 546 N 1.54 -1.69 0.15 4.36 0.00 -1.26 -5.00 105.19 103.29 3a75 n GLY 546 Ca 0.04 -1.61 0.12 0.00 0.00 0.00 0.00 46.02 44.57 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 -1.51 0.00 -3.91 2.61 1.35 -2.00 -3.47 112.91 105.99 3a75 h THR 547 Ca -0.16 -0.80 -0.34 0.00 -0.55 0.00 0.00 66.41 64.56 3a75 h THR 547 Cb 0.45 1.66 -0.21 0.00 -1.73 0.00 0.00 68.15 68.33 3a75 h THR 547 CO 0.11 0.00 -0.75 -0.94 -0.25 0.00 0.00 175.52 173.69 3a75 s SER 548 N -5.39 1.33 0.71 5.36 1.04 -1.26 -5.16 113.70 110.34 3a75 s SER 548 Ca 0.07 -0.64 -0.09 0.00 0.48 0.00 0.00 55.95 55.77 3a75 s SER 548 Cb 0.09 -0.01 0.05 0.00 0.10 0.00 0.00 66.02 66.25 3a75 s SER 548 CO 0.68 -0.16 1.06 -2.16 0.98 0.00 0.00 173.24 173.64 3a75 s PRO 549 N -1.92 2.40 0.04 4.02 0.04 -1.26 -4.80 135.00 133.52 3a75 s PRO 549 Ca -0.03 0.05 -0.10 0.00 0.04 0.00 0.00 61.00 60.96 3a75 s PRO 549 Cb -0.08 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.37 3a75 s PRO 549 CO 0.01 -1.20 0.20 0.14 0.04 0.00 0.00 177.00 176.19 3a75 s VAL 550 N -3.32 0.11 0.43 -0.36 -7.23 -0.26 -4.91 120.40 104.85 3a75 s VAL 550 Ca 0.59 -0.88 -0.23 0.00 -1.81 0.00 0.00 61.98 59.65 3a75 s VAL 550 Cb -0.11 -0.92 -0.09 0.00 0.56 0.00 0.00 36.38 35.83 3a75 s VAL 550 CO 0.48 -0.49 1.06 -1.81 -0.31 0.00 0.00 175.10 174.02 3a75 s ASP 551 N -2.10 6.60 -0.16 4.85 1.01 -1.26 -3.55 116.67 122.07 3a75 s ASP 551 Ca -0.05 2.03 -0.01 0.00 0.71 0.00 0.00 52.55 55.23 3a75 s ASP 551 Cb -0.01 -2.58 0.04 0.00 1.01 0.00 0.00 42.92 41.38 3a75 s ASP 551 CO -0.04 -0.60 -0.03 -0.63 0.21 0.00 0.00 175.17 174.08 3a75 s ILE 552 N -1.74 0.88 0.04 0.77 1.01 -1.26 -5.01 121.20 115.89 3a75 s ILE 552 Ca 0.61 -0.51 0.00 0.00 0.00 0.00 0.00 60.65 60.75 3a75 s ILE 552 Cb -0.21 -1.12 0.00 0.00 0.01 0.00 0.00 42.46 41.14 3a75 s ILE 552 CO 0.26 0.08 0.00 0.61 0.00 0.00 0.00 174.94 175.89 3a75 n GLY 553 N 4.95 -2.18 3.03 6.18 0.00 -1.26 -4.93 105.19 110.98 3a75 n GLY 553 Ca -0.11 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.45 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 -2.88 -1.20 -0.20 1.61 2.47 -1.26 -4.79 114.94 108.70 3a75 s ASN 554 Ca 0.00 -0.73 -0.20 0.00 0.42 0.00 0.00 52.86 52.34 3a75 s ASN 554 Cb 0.00 1.54 -0.03 0.00 -1.45 0.00 0.00 41.25 41.31 3a75 s ASN 554 CO 0.00 -0.12 0.61 -0.69 -3.72 0.00 0.00 177.10 173.18 3a75 s VAL 555 N 1.73 5.04 -0.07 -5.21 1.01 -1.26 -4.04 120.40 117.59 3a75 s VAL 555 Ca 0.18 1.14 -0.01 0.00 0.00 0.00 0.00 61.98 63.29 3a75 s VAL 555 Cb -0.01 -3.93 -0.03 0.00 0.00 0.00 0.00 36.38 32.41 3a75 s VAL 555 CO -0.09 0.12 -0.00 -1.10 0.00 0.00 0.00 175.10 174.03 3a75 s GLN 556 N 1.85 2.93 -0.08 2.72 -1.52 -1.21 -1.79 119.66 122.56 3a75 s GLN 556 Ca 0.28 -0.46 -0.21 0.00 -1.95 0.00 0.00 55.36 53.02 3a75 s GLN 556 Cb -0.16 -2.75 0.05 0.00 -0.22 0.00 0.00 33.01 29.93 3a75 s GLN 556 CO 0.10 0.69 0.49 0.45 -0.25 0.00 0.00 175.29 176.77 3a75 s SER 557 N -1.00 -0.44 -0.02 5.90 0.15 -0.57 -3.61 113.70 114.10 3a75 s SER 557 Ca 0.14 0.56 0.04 0.00 0.70 0.00 0.00 55.95 57.40 3a75 s SER 557 Cb -0.11 0.59 -0.01 0.00 -1.71 0.00 0.00 66.02 64.78 3a75 s SER 557 CO 0.04 -0.43 -0.13 -0.63 1.20 0.00 0.00 173.24 173.28 3a75 s ILE 558 N -0.84 1.08 -0.02 6.45 1.01 -1.18 -0.50 121.20 127.19 3a75 s ILE 558 Ca -0.09 -0.57 0.03 0.00 0.00 0.00 0.00 60.65 60.02 3a75 s ILE 558 Cb -0.03 -0.91 -0.03 0.00 0.01 0.00 0.00 42.46 41.50 3a75 s ILE 558 CO 0.05 0.31 -0.10 -0.55 0.00 0.00 0.00 174.94 174.65 3a75 s SER 559 N -0.22 4.35 -0.11 3.58 0.15 -0.19 -0.04 113.70 121.22 3a75 s SER 559 Ca 0.03 -0.17 0.01 0.00 0.70 0.00 0.00 55.95 56.52 3a75 s SER 559 Cb -0.06 -0.97 0.02 0.00 -1.71 0.00 0.00 66.02 63.30 3a75 s SER 559 CO -0.00 0.31 -0.12 -0.63 1.20 0.00 0.00 173.24 174.00 3a75 s ILE 560 N -0.87 1.32 -0.47 6.45 1.01 -0.35 -1.13 121.20 127.15 3a75 s ILE 560 Ca 0.14 -0.51 -0.11 0.00 0.00 0.00 0.00 60.65 60.17 3a75 s ILE 560 Cb -0.11 -1.25 0.10 0.00 0.01 0.00 0.00 42.46 41.22 3a75 s ILE 560 CO 0.04 0.41 0.36 -0.62 0.00 0.00 0.00 174.94 175.13 3a75 s ASP 561 N 1.27 5.84 0.46 3.58 -1.08 -0.49 -4.59 116.67 121.67 3a75 s ASP 561 Ca -0.02 -1.69 0.26 0.00 -0.52 0.00 0.00 52.55 50.58 3a75 s ASP 561 Cb -0.14 -2.07 0.91 0.00 -1.46 0.00 0.00 42.92 40.17 3a75 s ASP 561 CO -0.05 -0.68 1.82 0.45 0.52 0.00 0.00 175.17 177.23 3a75 h HIS 562 N 8.57 0.00 -0.28 -5.34 3.86 -1.93 0.91 115.15 120.94 3a75 h HIS 562 Ca -0.24 0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 58.78 3a75 h HIS 562 Cb 1.09 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.56 3a75 h HIS 562 CO 0.65 0.16 -0.56 0.93 0.86 0.00 0.00 177.93 179.97 3a75 h GLU 563 N 0.00 0.85 -0.01 2.45 4.39 -1.96 -3.25 114.58 117.05 3a75 h GLU 563 Ca -0.00 -0.54 0.00 0.00 0.34 0.00 0.00 59.36 59.15 3a75 h GLU 563 Cb 0.76 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.47 3a75 h GLU 563 CO 0.02 1.18 -0.59 0.09 -1.16 0.00 0.00 179.01 178.54 3a75 n ASN 564 N -4.00 1.24 -3.33 1.42 3.02 -1.13 -4.97 115.26 107.52 3a75 n ASN 564 Ca -0.04 -1.01 -0.21 0.00 -0.03 0.00 0.00 54.58 53.28 3a75 n ASN 564 Cb 0.63 0.52 0.07 0.00 -0.61 0.00 0.00 39.78 40.40 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 1.44 -0.41 3.45 7.41 0.00 0.28 -5.01 105.19 112.36 3a75 n GLY 565 Ca 0.08 0.17 -0.22 0.00 0.00 0.00 0.00 46.02 46.05 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 -3.30 1.03 0.06 2.61 -4.23 -1.02 -5.01 115.64 105.79 3a75 s THR 566 Ca 0.50 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 59.03 3a75 s THR 566 Cb -0.22 -2.70 -0.03 0.00 1.34 0.00 0.00 72.50 70.89 3a75 s THR 566 CO 0.67 0.00 -0.07 -0.36 -0.54 0.00 0.00 174.62 174.32 3a75 s PHE 567 N -3.32 0.72 -0.03 3.99 0.08 -1.26 -1.39 117.98 116.77 3a75 s PHE 567 Ca 0.34 -0.69 0.02 0.00 0.12 0.00 0.00 56.93 56.72 3a75 s PHE 567 Cb 0.08 -0.43 0.01 0.00 -0.57 0.00 0.00 43.02 42.10 3a75 s PHE 567 CO 0.15 -0.13 -0.07 0.21 -0.10 0.00 0.00 175.22 175.28 3a75 s LYS 568 N -2.55 0.80 0.05 0.44 2.20 -0.28 -4.99 119.74 115.40 3a75 s LYS 568 Ca -0.01 -0.22 0.09 0.00 -0.36 0.00 0.00 55.97 55.47 3a75 s LYS 568 Cb -0.03 -0.77 -0.03 0.00 -1.51 0.00 0.00 37.83 35.49 3a75 s LYS 568 CO -0.02 0.06 -0.26 0.20 -0.36 0.00 0.00 175.35 174.97 3a75 s GLY 569 N 0.34 1.38 0.01 5.54 0.00 -1.26 -1.02 107.32 112.31 3a75 s GLY 569 Ca -0.05 -1.26 0.02 0.00 0.00 0.00 0.00 44.72 43.44 3a75 s GLY 569 CO 0.00 -1.15 -0.06 0.14 0.00 0.00 0.00 173.10 172.03 3a75 s VAL 570 N -0.82 0.45 -0.04 1.40 1.01 0.34 -4.82 120.40 117.92 3a75 s VAL 570 Ca 0.11 -0.56 0.03 0.00 0.00 0.00 0.00 61.98 61.57 3a75 s VAL 570 Cb -0.10 -0.44 0.00 0.00 0.00 0.00 0.00 36.38 35.84 3a75 s VAL 570 CO 0.02 -0.08 -0.14 0.00 0.00 0.00 0.00 175.10 174.90 3a75 s ALA 571 N -0.62 1.26 0.29 5.51 0.00 -1.26 -1.51 121.76 125.42 3a75 s ALA 571 Ca -0.03 -0.52 -0.29 0.00 0.00 0.00 0.00 51.96 51.11 3a75 s ALA 571 Cb -0.05 -0.46 -0.10 0.00 0.00 0.00 0.00 23.12 22.51 3a75 s ALA 571 CO 0.00 0.20 1.35 0.34 0.00 0.00 0.00 175.76 177.65 3a75 s ASP 572 N 0.20 6.75 0.00 0.00 -1.08 -0.74 -4.92 116.67 116.88 3a75 s ASP 572 Ca -0.06 2.64 0.13 0.00 -0.52 0.00 0.00 52.55 54.74 3a75 s ASP 572 Cb -0.11 -2.64 0.63 0.00 -1.46 0.00 0.00 42.92 39.34 3a75 s ASP 572 CO 0.02 -0.58 1.32 -1.54 0.52 0.00 0.00 175.17 174.90 3a75 n SER 573 N 1.53 0.00 0.17 -0.34 3.41 -1.26 -2.89 113.62 114.23 3a75 n SER 573 Ca 0.03 0.12 0.13 0.00 -0.26 0.00 0.00 58.87 58.89 3a75 n SER 573 Cb 0.41 -0.29 0.57 0.00 -0.26 0.00 0.00 64.21 64.64 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 -4.71 4.04 4.64 -1.91 -3.44 113.55 112.17 3a75 h SER 574 Ca 0.00 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 60.85 3a75 h SER 574 Cb 0.12 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 62.09 3a75 h SER 574 CO 0.00 0.00 -0.44 0.54 -0.87 0.00 0.00 176.83 176.06 3a75 n ARG 575 N -2.41 0.43 -1.61 4.77 1.74 -1.14 -5.06 116.66 113.38 3a75 n ARG 575 Ca 0.01 -3.18 -0.33 0.00 -0.77 0.00 0.00 57.85 53.58 3a75 n ARG 575 Cb 0.21 2.42 0.02 0.00 -1.02 0.00 0.00 32.46 34.08 3a75 n ARG 575 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3a75 n ASN 576 N -1.71 7.15 -4.70 0.55 5.03 -1.26 -4.86 115.26 115.46 3a75 n ASN 576 Ca 0.05 -3.57 -0.29 0.00 0.87 0.00 0.00 54.58 51.64 3a75 n ASN 576 Cb 0.57 -1.10 0.16 0.00 -1.02 0.00 0.00 39.78 38.39 3a75 n ASN 576 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 3a75 s GLY 577 N -0.65 1.58 0.00 7.41 0.00 -1.26 -5.07 107.32 109.33 3a75 s GLY 577 Ca 0.54 -0.27 0.01 0.00 0.00 0.00 0.00 44.72 45.00 3a75 s GLY 577 CO -0.26 0.29 -0.03 0.00 0.00 0.00 0.00 173.10 173.10 3a75 s ALA 578 N -2.97 0.25 -0.11 3.20 0.00 -1.26 -4.91 121.76 115.96 3a75 s ALA 578 Ca 0.65 -0.20 -0.02 0.00 0.00 0.00 0.00 51.96 52.39 3a75 s ALA 578 Cb -0.18 -0.04 -0.03 0.00 0.00 0.00 0.00 23.12 22.87 3a75 s ALA 578 CO 0.57 0.04 -0.02 0.00 0.00 0.00 0.00 175.76 176.35 3a75 s ALA 579 N -0.26 3.14 -0.14 0.00 0.00 -1.26 -4.86 121.76 118.38 3a75 s ALA 579 Ca -0.01 -0.82 -0.02 0.00 0.00 0.00 0.00 51.96 51.10 3a75 s ALA 579 Cb -0.02 -1.48 0.05 0.00 0.00 0.00 0.00 23.12 21.67 3a75 s ALA 579 CO -0.00 0.44 0.03 0.42 0.00 0.00 0.00 175.76 176.65 3a75 s ILE 580 N -0.40 0.42 0.53 0.00 1.01 -1.26 -5.03 121.20 116.46 3a75 s ILE 580 Ca 0.07 -0.24 -0.13 0.00 0.00 0.00 0.00 60.65 60.35 3a75 s ILE 580 Cb -0.12 -0.79 -0.06 0.00 0.01 0.00 0.00 42.46 41.50 3a75 s ILE 580 CO 0.02 -0.02 0.94 -0.83 0.00 0.00 0.00 174.94 175.06 3a75 s GLY 581 N 1.93 1.85 -0.16 6.18 0.00 -1.26 -5.04 107.32 110.82 3a75 s GLY 581 Ca 0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 44.72 44.68 3a75 s GLY 581 CO -0.07 0.21 -0.10 -0.42 0.00 0.00 0.00 173.10 172.72 3a75 s ILE 582 N -2.78 3.20 -0.32 0.90 -1.09 -1.26 -5.06 121.20 114.78 3a75 s ILE 582 Ca 0.55 -0.59 -0.01 0.00 -2.23 0.00 0.00 60.65 58.37 3a75 s ILE 582 Cb -0.10 -2.38 0.11 0.00 -1.58 0.00 0.00 42.46 38.50 3a75 s ILE 582 CO 0.40 0.50 0.13 0.20 -1.23 0.00 0.00 174.94 174.94 3a75 s ASN 583 N 0.68 3.78 0.88 3.58 -0.87 -1.26 -5.08 114.94 116.65 3a75 s ASN 583 Ca -0.05 -1.73 -0.13 0.00 -1.57 0.00 0.00 52.86 49.38 3a75 s ASN 583 Cb -0.15 -0.73 0.12 0.00 -0.02 0.00 0.00 41.25 40.48 3a75 s ASN 583 CO 0.02 -0.39 1.19 -0.76 -2.57 0.00 0.00 177.10 174.59 3a75 s LEU 584 N 1.52 2.36 -0.46 0.60 1.43 -1.26 -4.95 118.68 117.92 3a75 s LEU 584 Ca 0.11 0.72 -0.02 0.00 -1.03 0.00 0.00 54.13 53.91 3a75 s LEU 584 Cb -0.18 -3.06 0.18 0.00 0.03 0.00 0.00 46.19 43.16 3a75 s LEU 584 CO -0.22 -2.31 2.37 0.29 0.23 0.00 0.00 176.35 176.71 3a75 n LYS 585 N -3.57 2.25 0.00 1.70 4.76 -1.26 -5.34 118.16 116.70 3a75 n LYS 585 Ca 0.09 -2.26 0.00 0.00 -2.87 0.00 0.00 58.31 53.27 3a75 n LYS 585 Cb 0.60 -1.98 0.00 0.00 -1.84 0.00 0.00 35.03 31.81 3a75 n LYS 585 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92