#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a0r n SER 416 N 0.00 -4.50 -4.92 5.98 3.41 -1.26 -5.05 113.62 107.29 3a0r n SER 416 Ca 0.00 0.47 -0.27 0.00 -0.26 0.00 0.00 58.87 58.82 3a0r n SER 416 Cb 0.00 -1.14 0.06 0.00 -0.26 0.00 0.00 64.21 62.87 3a0r n SER 416 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3a0r s GLU 417 N -3.67 2.33 -0.12 4.33 2.56 -1.26 -5.14 118.70 117.73 3a0r s GLU 417 Ca 0.00 -0.09 0.14 0.00 0.00 0.00 0.00 54.97 55.03 3a0r s GLU 417 Cb 0.00 -2.13 0.31 0.00 2.00 0.00 0.00 34.13 34.30 3a0r s GLU 417 CO 0.00 -1.20 1.15 -1.13 -0.56 0.00 0.00 175.26 173.53 3a0r n SER 418 N -2.94 1.65 -0.05 -1.70 3.41 -1.26 -4.37 113.62 108.35 3a0r n SER 418 Ca 0.07 -3.08 -0.21 0.00 -0.26 0.00 0.00 58.87 55.39 3a0r n SER 418 Cb 0.60 -0.41 -0.13 0.00 -0.26 0.00 0.00 64.21 64.01 3a0r n SER 418 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 3a0r h ILE 419 N 2.14 0.94 -0.50 -1.33 2.04 -2.04 -3.38 117.51 115.39 3a0r h ILE 419 Ca -0.03 -2.29 0.08 0.00 1.00 0.00 0.00 64.86 63.63 3a0r h ILE 419 Cb 1.16 2.49 -0.06 0.00 -0.74 0.00 0.00 36.82 39.67 3a0r h ILE 419 CO 0.01 0.56 0.14 0.17 0.00 0.00 0.00 178.15 179.03 3a0r h LEU 420 N -0.58 0.09 0.00 1.44 8.10 -2.01 -3.25 115.31 119.09 3a0r h LEU 420 Ca -0.33 0.08 0.00 0.00 0.11 0.00 0.00 57.88 57.74 3a0r h LEU 420 Cb 1.56 0.08 0.00 0.00 -0.44 0.00 0.00 40.66 41.87 3a0r h LEU 420 CO -0.06 0.08 0.00 1.21 -4.11 0.00 0.00 178.44 175.56 3a0r n GLU 421 N -5.06 0.00 -0.07 0.17 2.13 -1.26 -1.64 120.64 114.90 3a0r n GLU 421 Ca 0.05 0.00 0.02 0.00 0.66 0.00 0.00 57.16 57.90 3a0r n GLU 421 Cb 0.23 0.00 0.06 0.00 0.27 0.00 0.00 31.44 32.00 3a0r n GLU 421 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 3a0r n SER 422 N -2.52 2.36 -3.35 4.31 3.41 -1.23 -4.70 113.62 111.90 3a0r n SER 422 Ca 0.00 -1.98 -0.34 0.00 -0.26 0.00 0.00 58.87 56.28 3a0r n SER 422 Cb 0.00 -0.09 -0.01 0.00 -0.26 0.00 0.00 64.21 63.84 3a0r n SER 422 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3a0r n LEU 423 N -0.07 5.86 0.00 1.04 4.77 -0.65 -4.25 117.00 123.69 3a0r n LEU 423 Ca 0.05 -5.51 0.00 0.00 -0.03 0.00 0.00 56.01 50.52 3a0r n LEU 423 Cb 0.32 -0.89 0.00 0.00 -2.33 0.00 0.00 43.42 40.52 3a0r n LEU 423 CO 0.03 2.16 0.00 -0.62 -1.33 0.00 0.00 177.39 177.63 3a0r n GLU 424 N 0.01 0.00 0.00 3.23 4.71 -1.26 -5.14 120.64 122.19 3a0r n GLU 424 Ca 0.38 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.53 3a0r n GLU 424 Cb 0.33 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.76 3a0r n GLU 424 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 3a0r n THR 425 N 0.00 0.00 -4.04 2.62 -2.24 -1.26 -4.80 114.28 104.56 3a0r n THR 425 Ca 0.00 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.65 3a0r n THR 425 Cb 0.00 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.10 3a0r n THR 425 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3a0r s ALA 426 N -3.57 0.32 -0.06 6.98 0.00 -1.18 -4.15 121.76 120.11 3a0r s ALA 426 Ca 0.00 -0.38 -0.12 0.00 0.00 0.00 0.00 51.96 51.46 3a0r s ALA 426 Cb 0.00 -0.00 0.02 0.00 0.00 0.00 0.00 23.12 23.14 3a0r s ALA 426 CO 0.00 0.01 0.29 0.42 0.00 0.00 0.00 175.76 176.47 3a0r s ILE 427 N -0.64 0.04 -0.05 0.00 1.01 -1.26 -0.93 121.20 119.37 3a0r s ILE 427 Ca -0.05 -0.30 -0.02 0.00 0.00 0.00 0.00 60.65 60.29 3a0r s ILE 427 Cb -0.05 -0.51 0.03 0.00 0.01 0.00 0.00 42.46 41.94 3a0r s ILE 427 CO -0.00 -0.16 0.10 -0.63 0.00 0.00 0.00 174.94 174.25 3a0r s ILE 428 N -0.69 -0.04 -0.24 2.92 1.01 -0.50 -2.74 121.20 120.93 3a0r s ILE 428 Ca -0.08 0.13 -0.08 0.00 0.00 0.00 0.00 60.65 60.62 3a0r s ILE 428 Cb -0.04 -0.17 -0.04 0.00 0.01 0.00 0.00 42.46 42.22 3a0r s ILE 428 CO 0.02 0.05 0.10 -0.89 0.00 0.00 0.00 174.94 174.23 3a0r s THR 429 N 0.80 4.71 -0.32 2.92 2.01 -1.24 -1.48 115.64 123.03 3a0r s THR 429 Ca -0.06 -0.04 -0.06 0.00 0.31 0.00 0.00 61.69 61.84 3a0r s THR 429 Cb -0.08 -3.20 0.04 0.00 0.01 0.00 0.00 72.50 69.27 3a0r s THR 429 CO -0.03 0.34 0.08 -0.76 -0.69 0.00 0.00 174.62 173.55 3a0r s LEU 430 N 1.40 4.16 0.00 4.42 1.43 -0.58 -2.80 118.68 126.71 3a0r s LEU 430 Ca 0.06 -1.10 0.00 0.00 -1.03 0.00 0.00 54.13 52.06 3a0r s LEU 430 Cb -0.15 -1.84 0.00 0.00 0.03 0.00 0.00 46.19 44.23 3a0r s LEU 430 CO 0.05 -0.29 0.00 -1.54 0.23 0.00 0.00 176.35 174.80 3a0r n SER 431 N 4.78 -0.16 -0.12 2.29 3.41 -0.72 0.15 113.62 123.25 3a0r n SER 431 Ca -0.13 -0.82 0.00 0.00 -0.26 0.00 0.00 58.87 57.66 3a0r n SER 431 Cb 0.45 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 3a0r n SER 431 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 3a0r n LYS 432 N -0.98 0.00 0.00 4.33 2.85 -1.17 -1.22 118.16 121.98 3a0r n LYS 432 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 3a0r n LYS 432 Cb 0.00 -0.99 0.00 0.00 -0.65 0.00 0.00 35.03 33.39 3a0r n LYS 432 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3a0r n ASP 433 N -0.25 0.11 0.00 -5.58 8.00 -1.26 -5.05 116.55 112.52 3a0r n ASP 433 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 3a0r n ASP 433 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 3a0r n ASP 433 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3a0r n GLY 434 N 2.55 0.18 3.55 0.44 0.00 -0.36 -5.02 105.19 106.53 3a0r n GLY 434 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 3a0r n GLY 434 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3a0r s ARG 435 N 0.00 2.44 -0.06 1.61 0.52 -1.26 -2.63 118.95 119.57 3a0r s ARG 435 Ca 0.00 -0.78 -0.12 0.00 -0.52 0.00 0.00 55.73 54.31 3a0r s ARG 435 Cb 0.00 -2.42 -0.05 0.00 0.52 0.00 0.00 34.95 33.00 3a0r s ARG 435 CO 0.00 0.59 0.31 0.42 0.02 0.00 0.00 175.30 176.64 3a0r s ILE 436 N -0.95 5.22 -0.13 1.52 1.01 -1.12 -1.76 121.20 124.98 3a0r s ILE 436 Ca 0.16 0.61 0.13 0.00 0.00 0.00 0.00 60.65 61.54 3a0r s ILE 436 Cb -0.11 -3.61 -0.18 0.00 0.01 0.00 0.00 42.46 38.57 3a0r s ILE 436 CO 0.06 0.56 0.07 0.41 0.00 0.00 0.00 174.94 176.03 3a0r n THR 437 N 2.17 0.93 -3.70 2.92 -1.04 -1.17 -1.53 114.28 112.86 3a0r n THR 437 Ca -0.15 -0.59 -0.15 0.00 -2.04 0.00 0.00 64.05 61.11 3a0r n THR 437 Cb 0.53 -0.58 -0.15 0.00 -1.82 0.00 0.00 70.33 68.32 3a0r n THR 437 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3a0r s GLU 438 N -2.39 0.07 -0.39 -2.82 8.01 -1.26 -4.96 118.70 114.96 3a0r s GLU 438 Ca -0.07 0.50 -0.03 0.00 0.01 0.00 0.00 54.97 55.38 3a0r s GLU 438 Cb 0.05 -0.22 0.10 0.00 -4.31 0.00 0.00 34.13 29.75 3a0r s GLU 438 CO 0.59 -0.24 0.17 -0.46 0.01 0.00 0.00 175.26 175.33 3a0r s TRP 439 N 1.81 3.52 0.57 1.61 -0.11 -1.26 -3.70 118.94 121.39 3a0r s TRP 439 Ca -0.02 -2.28 -0.19 0.00 1.22 0.00 0.00 56.10 54.83 3a0r s TRP 439 Cb -0.12 -3.02 -0.06 0.00 -1.50 0.00 0.00 33.47 28.78 3a0r s TRP 439 CO -0.06 -0.94 0.95 -1.71 -4.62 0.00 0.00 176.95 170.58 3a0r n ASN 440 N 4.61 0.77 0.01 5.86 5.15 -1.11 -4.64 115.26 125.92 3a0r n ASN 440 Ca -0.04 0.84 0.02 0.00 -0.60 0.00 0.00 54.58 54.80 3a0r n ASN 440 Cb 0.42 -1.38 0.38 0.00 -0.53 0.00 0.00 39.78 38.67 3a0r n ASN 440 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 3a0r h LYS 441 N 0.65 0.51 0.00 1.20 1.57 -1.88 -0.59 116.57 118.03 3a0r h LYS 441 Ca -0.48 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.19 3a0r h LYS 441 Cb 1.36 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.57 3a0r h LYS 441 CO 0.52 0.43 -0.21 -0.22 -0.57 0.00 0.00 179.45 179.39 3a0r h LYS 442 N 0.51 0.00 0.04 3.15 1.63 -1.77 -2.98 116.57 117.15 3a0r h LYS 442 Ca 0.13 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.93 3a0r h LYS 442 Cb 0.11 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.74 3a0r h LYS 442 CO -0.01 0.21 -0.02 0.00 -3.45 0.00 0.00 179.45 176.18 3a0r h ALA 443 N 1.79 -0.05 -0.56 5.00 0.00 -1.33 -2.88 119.26 121.22 3a0r h ALA 443 Ca -0.00 -0.04 0.11 0.00 0.00 0.00 0.00 54.91 54.97 3a0r h ALA 443 Cb 1.07 0.02 -0.11 0.00 0.00 0.00 0.00 17.79 18.77 3a0r h ALA 443 CO 0.03 -0.49 -0.28 0.93 0.00 0.00 0.00 179.25 179.43 3a0r h GLU 444 N -0.12 -0.13 -3.92 0.00 5.08 -1.32 -2.73 114.58 111.43 3a0r h GLU 444 Ca -0.00 0.01 -0.50 0.00 -1.00 0.00 0.00 59.36 57.86 3a0r h GLU 444 Cb 0.10 0.03 0.03 0.00 0.50 0.00 0.00 28.75 29.41 3a0r h GLU 444 CO 0.01 -0.09 2.47 1.04 -1.00 0.00 0.00 179.01 181.44 3a0r n GLN 445 N -5.43 1.82 0.00 2.33 6.02 -1.09 -1.08 117.38 119.95 3a0r n GLN 445 Ca 0.04 -1.64 0.00 0.00 -0.01 0.00 0.00 57.00 55.39 3a0r n GLN 445 Cb 0.35 -2.67 0.00 0.00 1.02 0.00 0.00 30.24 28.93 3a0r n GLN 445 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 3a0r n LEU 446 N 5.71 0.00 0.00 1.08 7.94 -1.10 -4.92 117.00 125.72 3a0r n LEU 446 Ca 0.46 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.36 3a0r n LEU 446 Cb 0.26 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.21 3a0r n LEU 446 CO 0.86 0.00 0.44 0.49 -1.11 0.00 0.00 177.39 178.07 3a0r n PHE 447 N 0.00 0.00 -0.07 1.96 3.72 -0.34 -5.02 117.46 117.71 3a0r n PHE 447 Ca 0.00 -0.39 0.00 0.00 -0.05 0.00 0.00 57.45 57.01 3a0r n PHE 447 Cb 0.00 -0.04 0.00 0.00 -0.94 0.00 0.00 39.48 38.50 3a0r n PHE 447 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3a0r n GLY 448 N -0.39 1.55 3.36 1.37 0.00 -0.24 -4.94 105.19 105.90 3a0r n GLY 448 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 3a0r n GLY 448 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a0r s LEU 449 N 0.00 2.28 0.58 0.99 1.43 -1.26 -5.05 118.68 117.65 3a0r s LEU 449 Ca 0.00 -0.69 -0.08 0.00 -1.03 0.00 0.00 54.13 52.33 3a0r s LEU 449 Cb 0.00 -1.18 -0.02 0.00 0.03 0.00 0.00 46.19 45.03 3a0r s LEU 449 CO 0.00 0.18 0.92 -0.54 0.23 0.00 0.00 176.35 177.14 3a0r s LYS 450 N -1.81 3.30 0.19 1.70 1.02 -1.26 -4.33 119.74 118.55 3a0r s LYS 450 Ca 0.12 0.32 -0.15 0.00 0.02 0.00 0.00 55.97 56.29 3a0r s LYS 450 Cb -0.10 -2.22 0.18 0.00 -0.52 0.00 0.00 37.83 35.17 3a0r s LYS 450 CO 0.05 -0.54 1.65 -0.22 -0.92 0.00 0.00 175.35 175.36 3a0r h LYS 451 N -0.14 0.01 -0.34 1.68 3.64 -1.92 -3.20 116.57 116.31 3a0r h LYS 451 Ca -0.45 -0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 58.85 3a0r h LYS 451 Cb 1.22 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.03 3a0r h LYS 451 CO 0.62 0.01 -0.06 0.93 -2.27 0.00 0.00 179.45 178.68 3a0r h GLU 452 N 0.01 0.64 -0.09 1.90 3.07 -1.95 0.22 114.58 118.39 3a0r h GLU 452 Ca 0.26 -0.23 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 3a0r h GLU 452 Cb 0.40 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.27 3a0r h GLU 452 CO -0.54 0.80 0.00 0.09 -1.40 0.00 0.00 179.01 177.96 3a0r n ASN 453 N -4.45 0.49 0.00 1.42 5.03 -1.21 -2.74 115.26 113.80 3a0r n ASN 453 Ca -0.02 -1.93 0.00 0.00 0.87 0.00 0.00 54.58 53.50 3a0r n ASN 453 Cb 0.32 -0.06 0.00 0.00 -1.02 0.00 0.00 39.78 39.02 3a0r n ASN 453 CO 0.00 0.00 0.00 1.33 -1.83 0.00 0.00 177.26 176.76 3a0r n VAL 454 N -0.26 0.00 -1.69 2.41 0.24 -1.02 -4.99 118.33 113.02 3a0r n VAL 454 Ca 0.05 -0.27 -0.45 0.00 -2.04 0.00 0.00 64.34 61.63 3a0r n VAL 454 Cb 0.09 1.14 -0.03 0.00 -1.47 0.00 0.00 33.84 33.56 3a0r n VAL 454 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3a0r n LEU 455 N -0.38 3.37 -1.89 1.34 4.77 0.75 -2.44 117.00 122.52 3a0r n LEU 455 Ca 0.00 1.10 -0.19 0.00 -0.03 0.00 0.00 56.01 56.89 3a0r n LEU 455 Cb 0.03 -1.47 -0.04 0.00 -2.33 0.00 0.00 43.42 39.62 3a0r n LEU 455 CO 0.00 -0.23 -0.22 0.61 -1.33 0.00 0.00 177.39 176.22 3a0r n GLY 456 N 2.98 0.47 3.98 -0.72 0.00 -0.58 -4.96 105.19 106.37 3a0r n GLY 456 Ca 0.14 -0.09 -0.20 0.00 0.00 0.00 0.00 46.02 45.87 3a0r n GLY 456 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3a0r s ARG 457 N -4.42 3.27 0.42 1.61 0.52 -1.02 -4.74 118.95 114.58 3a0r s ARG 457 Ca 0.00 -0.88 -0.20 0.00 -0.52 0.00 0.00 55.73 54.12 3a0r s ARG 457 Cb 0.00 -2.85 -0.11 0.00 0.52 0.00 0.00 34.95 32.52 3a0r s ARG 457 CO 0.00 0.22 0.93 1.03 0.02 0.00 0.00 175.30 177.50 3a0r s ARG 458 N -4.10 4.20 0.10 3.54 0.52 -1.26 -3.31 118.95 118.65 3a0r s ARG 458 Ca 0.40 1.07 0.16 0.00 -0.52 0.00 0.00 55.73 56.85 3a0r s ARG 458 Cb -0.09 -2.20 -0.10 0.00 0.52 0.00 0.00 34.95 33.08 3a0r s ARG 458 CO 0.30 -0.02 0.95 1.25 0.02 0.00 0.00 175.30 177.80 3a0r h LEU 459 N 1.92 0.00 -0.57 2.53 5.85 -1.90 -3.20 115.31 119.94 3a0r h LEU 459 Ca -0.49 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.23 3a0r h LEU 459 Cb 1.18 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.21 3a0r h LEU 459 CO 0.61 0.56 0.00 0.07 -0.34 0.00 0.00 178.44 179.34 3a0r h LYS 460 N 0.00 0.00 -0.00 1.25 2.10 -1.88 -3.27 116.57 114.77 3a0r h LYS 460 Ca -0.13 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.52 3a0r h LYS 460 Cb 1.54 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.87 3a0r h LYS 460 CO 0.05 0.00 0.01 -0.44 -2.00 0.00 0.00 179.45 177.07 3a0r h ASP 461 N 0.00 0.00 -3.74 7.07 3.32 -1.95 -3.41 116.42 117.71 3a0r h ASP 461 Ca 0.00 0.00 -0.49 0.00 0.02 0.00 0.00 57.03 56.56 3a0r h ASP 461 Cb 0.51 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.03 3a0r h ASP 461 CO 0.00 0.00 0.12 -0.76 -1.72 0.00 0.00 179.24 176.88 3a0r s LEU 462 N -6.68 4.09 0.68 1.55 2.01 -1.23 -5.07 118.68 114.02 3a0r s LEU 462 Ca -0.05 1.34 -0.11 0.00 0.01 0.00 0.00 54.13 55.32 3a0r s LEU 462 Cb 0.14 -4.06 -0.00 0.00 0.01 0.00 0.00 46.19 42.27 3a0r s LEU 462 CO 0.46 -0.19 1.07 -2.84 1.01 0.00 0.00 176.35 175.85 3a0r s PRO 463 N -2.87 3.07 0.00 1.29 0.02 -1.26 -3.67 135.00 131.58 3a0r s PRO 463 Ca 0.53 0.64 0.00 0.00 0.02 0.00 0.00 61.00 62.19 3a0r s PRO 463 Cb -0.11 -2.03 0.00 0.00 0.02 0.00 0.00 34.50 32.38 3a0r s PRO 463 CO 0.17 -0.93 0.00 -0.25 -0.33 0.00 0.00 177.00 175.67 3a0r n ASP 464 N -2.97 -2.65 0.00 2.53 8.00 -1.26 -4.71 116.55 115.50 3a0r n ASP 464 Ca 0.07 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.57 3a0r n ASP 464 Cb 0.55 -1.84 0.00 0.00 -0.02 0.00 0.00 41.12 39.82 3a0r n ASP 464 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3a0r n PHE 465 N -0.89 0.00 0.00 1.24 -0.00 -1.24 -4.89 117.46 111.68 3a0r n PHE 465 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 3a0r n PHE 465 Cb 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.70 3a0r n PHE 465 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 3a0r n GLU 466 N -0.82 0.00 -0.42 -4.13 1.02 -1.25 -4.12 120.64 110.91 3a0r n GLU 466 Ca 0.00 0.00 0.36 0.00 -0.02 0.00 0.00 57.16 57.50 3a0r n GLU 466 Cb 0.00 0.00 0.64 0.00 -0.02 0.00 0.00 31.44 32.06 3a0r n GLU 466 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 3a0r h GLU 467 N 0.00 0.05 -0.93 3.49 5.08 -1.96 0.53 114.58 120.84 3a0r h GLU 467 Ca 0.00 -0.00 0.22 0.00 -1.00 0.00 0.00 59.36 58.58 3a0r h GLU 467 Cb 0.00 -0.01 -0.17 0.00 0.50 0.00 0.00 28.75 29.07 3a0r h GLU 467 CO 0.00 0.03 -0.06 0.82 -1.00 0.00 0.00 179.01 178.81 3a0r h ILE 468 N 0.05 0.10 0.45 3.13 1.08 -1.96 1.18 117.51 121.54 3a0r h ILE 468 Ca 0.85 -0.01 -0.02 0.00 -0.39 0.00 0.00 64.86 65.28 3a0r h ILE 468 Cb 2.55 0.07 0.00 0.00 -3.07 0.00 0.00 36.82 36.37 3a0r h ILE 468 CO -0.53 0.01 -0.21 1.23 -0.69 0.00 0.00 178.15 177.95 3a0r h GLY 469 N 0.03 -0.62 1.37 5.37 0.00 -1.19 -2.13 103.07 105.89 3a0r h GLY 469 Ca 0.51 0.23 0.07 0.00 0.00 0.00 0.00 47.33 48.15 3a0r h GLY 469 CO -0.88 -0.23 0.25 1.48 0.00 0.00 0.00 176.54 177.16 3a0r h SER 470 N -0.64 0.00 0.02 0.19 4.64 0.42 0.86 113.55 119.04 3a0r h SER 470 Ca -0.06 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.26 3a0r h SER 470 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 3a0r h SER 470 CO 0.10 0.00 -0.01 0.58 -0.87 0.00 0.00 176.83 176.63 3a0r h VAL 471 N 0.00 1.41 -0.54 0.95 2.07 0.11 -2.84 116.25 117.42 3a0r h VAL 471 Ca 0.12 -1.43 0.05 0.00 0.82 0.00 0.00 66.70 66.26 3a0r h VAL 471 Cb 0.61 2.36 -0.03 0.00 -1.52 0.00 0.00 31.29 32.71 3a0r h VAL 471 CO -0.00 0.36 0.36 0.00 0.02 0.00 0.00 177.57 178.31 3a0r h ALA 472 N 0.28 1.84 0.03 1.67 0.00 0.13 -2.01 119.26 121.19 3a0r h ALA 472 Ca -0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3a0r h ALA 472 Cb 0.62 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 3a0r h ALA 472 CO 0.01 0.08 -0.02 0.93 0.00 0.00 0.00 179.25 180.25 3a0r h GLU 473 N 0.53 -0.04 0.00 0.00 5.08 0.56 0.26 114.58 120.96 3a0r h GLU 473 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 3a0r h GLU 473 Cb 0.24 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.50 3a0r h GLU 473 CO -0.06 -0.03 0.00 -1.13 -1.00 0.00 0.00 179.01 176.79 3a0r n SER 474 N -2.36 0.34 0.02 1.42 3.41 -1.08 0.64 113.62 116.02 3a0r n SER 474 Ca -0.01 0.64 -0.18 0.00 -0.26 0.00 0.00 58.87 59.07 3a0r n SER 474 Cb 0.02 -0.69 -0.07 0.00 -0.26 0.00 0.00 64.21 63.21 3a0r n SER 474 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 3a0r h VAL 475 N 0.00 1.30 0.00 -3.33 2.07 -1.00 0.17 116.25 115.46 3a0r h VAL 475 Ca 0.00 -2.17 -0.00 0.00 0.82 0.00 0.00 66.70 65.35 3a0r h VAL 475 Cb 0.08 2.22 -0.00 0.00 -1.52 0.00 0.00 31.29 32.07 3a0r h VAL 475 CO 0.00 0.67 -0.00 -0.26 0.02 0.00 0.00 177.57 178.00 3a0r h PHE 476 N 0.42 0.00 0.00 1.57 0.04 0.23 0.24 116.94 119.44 3a0r h PHE 476 Ca -0.09 0.00 -0.22 0.00 2.80 0.00 0.00 57.97 60.46 3a0r h PHE 476 Cb 1.55 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 39.66 3a0r h PHE 476 CO 0.09 0.00 -1.82 0.39 -0.60 0.00 0.00 178.31 176.37 3a0r n GLU 477 N -3.11 2.02 0.00 1.51 1.02 -1.06 -4.47 120.64 116.56 3a0r n GLU 477 Ca -0.03 -0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.22 3a0r n GLU 477 Cb 0.09 -1.30 0.06 0.00 -0.02 0.00 0.00 31.44 30.27 3a0r n GLU 477 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3a0r n ASN 478 N -2.45 1.66 0.00 1.62 3.02 0.60 -5.02 115.26 114.69 3a0r n ASN 478 Ca -0.20 -1.29 0.00 0.00 -0.03 0.00 0.00 54.58 53.06 3a0r n ASN 478 Cb 0.88 0.47 0.00 0.00 -0.61 0.00 0.00 39.78 40.53 3a0r n ASN 478 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3a0r n LYS 479 N -0.37 0.00 -1.07 3.52 5.02 0.82 -4.94 118.16 121.13 3a0r n LYS 479 Ca 0.09 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.96 3a0r n LYS 479 Cb 0.42 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.38 3a0r n LYS 479 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3a0r n GLU 480 N 0.00 0.00 -1.20 1.97 1.02 -1.26 -4.68 120.64 116.49 3a0r n GLU 480 Ca 0.00 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.85 3a0r n GLU 480 Cb 0.00 -1.05 0.20 0.00 -0.02 0.00 0.00 31.44 30.57 3a0r n GLU 480 CO 0.00 0.00 0.00 -2.14 1.18 0.00 0.00 177.13 176.17 3a0r s PRO 481 N 0.23 -0.19 0.01 3.49 0.02 -1.26 -4.88 135.00 132.43 3a0r s PRO 481 Ca 0.65 0.21 0.01 0.00 0.02 0.00 0.00 61.00 61.88 3a0r s PRO 481 Cb -0.91 -1.69 -0.01 0.00 0.02 0.00 0.00 34.50 31.91 3a0r s PRO 481 CO 0.42 -3.08 -0.03 0.14 -0.33 0.00 0.00 177.00 174.12 3a0r s VAL 482 N -3.05 0.19 -0.17 3.83 -7.23 -1.15 -4.76 120.40 108.06 3a0r s VAL 482 Ca 0.68 -0.55 -0.06 0.00 -1.81 0.00 0.00 61.98 60.24 3a0r s VAL 482 Cb -0.14 -0.25 -0.04 0.00 0.56 0.00 0.00 36.38 36.51 3a0r s VAL 482 CO 0.56 -0.23 0.03 0.12 -0.31 0.00 0.00 175.10 175.27 3a0r s PHE 483 N -0.79 3.17 0.12 2.82 5.36 -1.15 -0.11 117.98 127.41 3a0r s PHE 483 Ca -0.07 -0.05 0.05 0.00 -0.96 0.00 0.00 56.93 55.90 3a0r s PHE 483 Cb -0.06 -2.03 -0.04 0.00 -0.34 0.00 0.00 43.02 40.55 3a0r s PHE 483 CO -0.00 0.10 0.04 -0.51 -1.46 0.00 0.00 175.22 173.38 3a0r s LEU 484 N 0.34 3.55 -0.05 6.12 1.43 -0.56 -1.35 118.68 128.16 3a0r s LEU 484 Ca 0.01 -0.19 -0.02 0.00 -1.03 0.00 0.00 54.13 52.90 3a0r s LEU 484 Cb -0.13 -2.23 0.04 0.00 0.03 0.00 0.00 46.19 43.89 3a0r s LEU 484 CO 0.01 0.13 0.10 0.21 0.23 0.00 0.00 176.35 177.03 3a0r s ASN 485 N -2.62 0.20 0.00 2.29 3.84 0.13 -2.65 114.94 116.12 3a0r s ASN 485 Ca 0.28 0.19 0.00 0.00 0.21 0.00 0.00 52.86 53.54 3a0r s ASN 485 Cb -0.11 0.07 0.00 0.00 -0.55 0.00 0.00 41.25 40.67 3a0r s ASN 485 CO 0.20 -0.17 0.00 0.33 -2.79 0.00 0.00 177.10 174.67 3a0r n PHE 486 N 4.47 0.00 -3.53 0.43 -0.00 0.93 0.35 117.46 120.10 3a0r n PHE 486 Ca -0.22 0.00 -0.18 0.00 -0.00 0.00 0.00 57.45 57.05 3a0r n PHE 486 Cb 0.51 -1.05 -0.14 0.00 -0.00 0.00 0.00 39.48 38.80 3a0r n PHE 486 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.76 176.29 3a0r s TYR 487 N 0.00 -0.24 -0.34 -5.13 5.04 0.38 -4.43 117.35 112.64 3a0r s TYR 487 Ca 0.00 0.27 -0.29 0.00 -2.44 0.00 0.00 57.07 54.61 3a0r s TYR 487 Cb 0.00 -0.36 0.01 0.00 0.35 0.00 0.00 41.96 41.96 3a0r s TYR 487 CO 0.00 -0.54 1.27 0.21 -1.34 0.00 0.00 175.55 175.16 3a0r s LYS 488 N 2.31 3.86 -0.26 4.97 2.20 -1.26 -0.17 119.74 131.40 3a0r s LYS 488 Ca 0.06 1.11 0.00 0.00 -0.36 0.00 0.00 55.97 56.78 3a0r s LYS 488 Cb -0.15 -3.89 0.04 0.00 -1.51 0.00 0.00 37.83 32.33 3a0r s LYS 488 CO -0.11 -1.19 -0.08 0.12 -0.36 0.00 0.00 175.35 173.73 3a0r s PHE 489 N 4.46 3.16 0.00 4.03 2.19 -0.35 -5.00 117.98 126.47 3a0r s PHE 489 Ca 0.55 -1.95 0.00 0.00 0.33 0.00 0.00 56.93 55.86 3a0r s PHE 489 Cb -0.15 -2.00 0.00 0.00 -1.31 0.00 0.00 43.02 39.56 3a0r s PHE 489 CO 0.24 -0.82 0.00 0.41 1.83 0.00 0.00 175.22 176.89 3a0r n GLY 490 N 4.56 3.54 0.15 13.12 0.00 -1.26 -1.75 105.19 123.54 3a0r n GLY 490 Ca -0.15 0.13 0.08 0.00 0.00 0.00 0.00 46.02 46.08 3a0r n GLY 490 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3a0r h GLU 491 N 0.00 0.00 -6.16 1.61 4.11 -2.01 -3.46 114.58 108.67 3a0r h GLU 491 Ca 0.00 0.00 -0.58 0.00 0.07 0.00 0.00 59.36 58.85 3a0r h GLU 491 Cb 0.00 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 3a0r h GLU 491 CO 0.00 0.13 -0.18 1.03 0.07 0.00 0.00 179.01 180.06 3a0r s ARG 492 N -3.18 3.88 0.69 1.06 0.52 -0.72 -5.10 118.95 116.11 3a0r s ARG 492 Ca 0.02 0.35 -0.11 0.00 -0.52 0.00 0.00 55.73 55.47 3a0r s ARG 492 Cb 0.08 -3.03 0.00 0.00 0.52 0.00 0.00 34.95 32.52 3a0r s ARG 492 CO 0.75 0.56 1.08 0.71 0.02 0.00 0.00 175.30 178.42 3a0r s TYR 493 N -1.34 3.36 0.02 -0.53 2.02 -1.26 -1.22 117.35 118.40 3a0r s TYR 493 Ca 0.32 1.12 -0.11 0.00 -0.37 0.00 0.00 57.07 58.03 3a0r s TYR 493 Cb -0.15 -2.99 0.01 0.00 -0.40 0.00 0.00 41.96 38.43 3a0r s TYR 493 CO 0.17 -1.10 0.22 -0.06 -1.57 0.00 0.00 175.55 173.21 3a0r s PHE 494 N -3.30 -0.02 -0.07 2.71 0.08 0.77 -4.53 117.98 113.62 3a0r s PHE 494 Ca 0.58 -0.09 0.04 0.00 0.12 0.00 0.00 56.93 57.58 3a0r s PHE 494 Cb -0.11 0.01 -0.02 0.00 -0.57 0.00 0.00 43.02 42.33 3a0r s PHE 494 CO 0.52 -0.39 -0.19 -0.80 -0.10 0.00 0.00 175.22 174.26 3a0r s ASN 495 N -1.74 3.59 0.13 1.36 0.02 -1.26 -0.05 114.94 116.99 3a0r s ASN 495 Ca -0.09 -0.36 0.05 0.00 -1.02 0.00 0.00 52.86 51.43 3a0r s ASN 495 Cb -0.04 -0.96 -0.04 0.00 0.02 0.00 0.00 41.25 40.23 3a0r s ASN 495 CO -0.01 0.27 -0.11 -0.63 0.02 0.00 0.00 177.10 176.64 3a0r s ILE 496 N -0.29 1.15 -0.14 0.60 1.01 -1.09 -3.00 121.20 119.44 3a0r s ILE 496 Ca 0.01 -1.89 -0.02 0.00 0.00 0.00 0.00 60.65 58.75 3a0r s ILE 496 Cb -0.13 -1.67 0.05 0.00 0.01 0.00 0.00 42.46 40.72 3a0r s ILE 496 CO 0.03 -0.64 0.03 -0.60 0.00 0.00 0.00 174.94 173.76 3a0r s ARG 497 N -3.30 0.55 -0.15 2.79 3.52 0.43 -1.50 118.95 121.29 3a0r s ARG 497 Ca 0.12 -0.15 -0.08 0.00 -0.13 0.00 0.00 55.73 55.49 3a0r s ARG 497 Cb -0.00 -1.58 -0.04 0.00 -1.56 0.00 0.00 34.95 31.77 3a0r s ARG 497 CO 0.01 -0.50 0.14 -0.06 -0.81 0.00 0.00 175.30 174.09 3a0r s PHE 498 N 1.94 3.53 -0.38 5.12 0.40 0.85 0.21 117.98 129.65 3a0r s PHE 498 Ca 0.02 0.47 0.05 0.00 -0.60 0.00 0.00 56.93 56.87 3a0r s PHE 498 Cb -0.15 -2.03 0.16 0.00 0.51 0.00 0.00 43.02 41.51 3a0r s PHE 498 CO -0.07 0.57 0.47 -1.12 0.70 0.00 0.00 175.22 175.77 3a0r s SER 499 N -0.51 0.20 0.40 1.36 0.01 0.18 -2.93 113.70 112.40 3a0r s SER 499 Ca 0.13 -1.27 -0.26 0.00 1.31 0.00 0.00 55.95 55.86 3a0r s SER 499 Cb -0.12 1.07 -0.09 0.00 0.21 0.00 0.00 66.02 67.09 3a0r s SER 499 CO 0.02 -0.23 1.29 -2.16 0.41 0.00 0.00 173.24 172.57 3a0r s PRO 500 N 1.61 4.02 0.32 12.44 0.04 -1.26 -0.18 135.00 151.99 3a0r s PRO 500 Ca 0.16 2.14 0.04 0.00 0.04 0.00 0.00 61.00 63.39 3a0r s PRO 500 Cb -0.11 -2.79 -0.03 0.00 0.04 0.00 0.00 34.50 31.60 3a0r s PRO 500 CO -0.05 -0.45 0.20 -0.59 0.04 0.00 0.00 177.00 176.15 3a0r s PHE 501 N -1.26 1.64 0.08 0.56 -0.71 0.70 -4.90 117.98 114.10 3a0r s PHE 501 Ca 0.56 -1.48 0.03 0.00 -1.04 0.00 0.00 56.93 55.00 3a0r s PHE 501 Cb -0.38 -0.81 -0.03 0.00 -1.21 0.00 0.00 43.02 40.59 3a0r s PHE 501 CO 0.49 -0.65 -0.09 1.03 -1.34 0.00 0.00 175.22 174.66 3a0r s ARG 502 N -3.69 0.73 -0.46 1.99 0.52 -1.26 -2.63 118.95 114.15 3a0r s ARG 502 Ca 0.36 -1.03 -0.18 0.00 -0.52 0.00 0.00 55.73 54.37 3a0r s ARG 502 Cb 0.04 -0.42 0.04 0.00 0.52 0.00 0.00 34.95 35.13 3a0r s ARG 502 CO 0.21 0.06 0.50 1.21 0.02 0.00 0.00 175.30 177.30 3a0r s ASN 503 N -2.18 6.20 0.54 0.23 3.84 -1.26 -4.92 114.94 117.39 3a0r s ASN 503 Ca 0.00 -0.84 0.32 0.00 0.21 0.00 0.00 52.86 52.56 3a0r s ASN 503 Cb -0.05 -2.24 1.49 0.00 -0.55 0.00 0.00 41.25 39.90 3a0r s ASN 503 CO -0.01 -0.70 1.88 0.00 -2.79 0.00 0.00 177.10 175.49 3a0r h ALA 504 N 8.82 2.83 -0.54 1.71 0.00 -1.96 4.07 119.26 134.19 3a0r h ALA 504 Ca -0.27 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.49 3a0r h ALA 504 Cb 1.10 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 3a0r h ALA 504 CO 0.86 -1.11 -0.12 -0.22 0.00 0.00 0.00 179.25 178.66 3a0r h LYS 505 N 0.00 1.04 0.06 0.00 3.64 -2.03 -3.31 116.57 115.97 3a0r h LYS 505 Ca 0.42 -0.39 -0.37 0.00 -1.27 0.00 0.00 60.65 59.04 3a0r h LYS 505 Cb 1.73 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 33.44 3a0r h LYS 505 CO -0.00 1.08 -2.19 0.25 -2.27 0.00 0.00 179.45 176.32 3a0r n THR 506 N -4.14 1.63 -1.69 1.00 -2.24 0.11 -4.99 114.28 103.96 3a0r n THR 506 Ca 0.01 -0.56 -0.19 0.00 -2.27 0.00 0.00 64.05 61.05 3a0r n THR 506 Cb 0.41 -1.63 -0.07 0.00 -2.10 0.00 0.00 70.33 66.94 3a0r n THR 506 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3a0r n GLN 507 N -3.50 -1.33 0.00 -0.78 1.13 1.30 -4.99 117.38 109.20 3a0r n GLN 507 Ca -0.39 1.11 0.00 0.00 -1.94 0.00 0.00 57.00 55.78 3a0r n GLN 507 Cb 0.99 -5.45 0.00 0.00 0.11 0.00 0.00 30.24 25.89 3a0r n GLN 507 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3a0r n LEU 508 N -2.23 0.00 -3.68 1.08 4.77 -1.26 -4.84 117.00 110.85 3a0r n LEU 508 Ca -0.19 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.40 3a0r n LEU 508 Cb 0.62 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.71 3a0r n LEU 508 CO 0.28 -0.18 0.99 0.18 -1.33 0.00 0.00 177.39 177.33 3a0r n LEU 509 N 0.00 6.19 0.00 2.23 4.77 -1.26 -4.42 117.00 124.51 3a0r n LEU 509 Ca 0.00 -5.36 0.00 0.00 -0.03 0.00 0.00 56.01 50.62 3a0r n LEU 509 Cb 0.00 -1.08 0.00 0.00 -2.33 0.00 0.00 43.42 40.01 3a0r n LEU 509 CO 0.00 1.94 0.20 -0.62 -1.33 0.00 0.00 177.39 177.59 3a0r n GLU 510 N 0.60 0.00 -3.98 3.23 -0.58 -1.16 -4.83 120.64 113.92 3a0r n GLU 510 Ca 0.34 0.40 -0.10 0.00 -0.42 0.00 0.00 57.16 57.38 3a0r n GLU 510 Cb 0.32 -1.12 -0.04 0.00 -0.57 0.00 0.00 31.44 30.03 3a0r n GLU 510 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 3a0r s GLY 511 N -1.34 0.61 -0.08 0.62 0.00 -1.08 -3.02 107.32 103.04 3a0r s GLY 511 Ca 0.00 -0.91 0.04 0.00 0.00 0.00 0.00 44.72 43.85 3a0r s GLY 511 CO 0.00 -0.60 -0.21 0.14 0.00 0.00 0.00 173.10 172.43 3a0r s VAL 512 N -3.65 1.80 -0.36 1.40 1.01 0.12 -0.21 120.40 120.51 3a0r s VAL 512 Ca 0.22 -0.89 -0.13 0.00 0.00 0.00 0.00 61.98 61.18 3a0r s VAL 512 Cb -0.02 -1.55 0.00 0.00 0.00 0.00 0.00 36.38 34.81 3a0r s VAL 512 CO 0.11 0.50 0.24 -0.63 0.00 0.00 0.00 175.10 175.32 3a0r s ILE 513 N 0.23 5.09 -0.35 2.22 -1.09 0.75 -1.53 121.20 126.52 3a0r s ILE 513 Ca -0.12 -0.46 -0.11 0.00 -2.23 0.00 0.00 60.65 57.73 3a0r s ILE 513 Cb -0.16 -3.71 0.01 0.00 -1.58 0.00 0.00 42.46 37.03 3a0r s ILE 513 CO 0.06 -0.12 0.20 -0.63 -1.23 0.00 0.00 174.94 173.22 3a0r s ILE 514 N 1.67 4.75 -0.11 2.92 1.01 -0.55 0.48 121.20 131.37 3a0r s ILE 514 Ca 0.05 -0.61 -0.05 0.00 0.00 0.00 0.00 60.65 60.04 3a0r s ILE 514 Cb -0.18 -3.54 -0.04 0.00 0.01 0.00 0.00 42.46 38.71 3a0r s ILE 514 CO 0.09 -0.11 0.10 0.42 0.00 0.00 0.00 174.94 175.45 3a0r s THR 515 N 1.61 5.18 -0.07 2.92 -4.23 0.57 -1.40 115.64 120.21 3a0r s THR 515 Ca 0.04 0.08 0.03 0.00 -1.18 0.00 0.00 61.69 60.65 3a0r s THR 515 Cb -0.18 -3.24 0.01 0.00 1.34 0.00 0.00 72.50 70.43 3a0r s THR 515 CO 0.07 0.61 -0.15 -0.63 -0.54 0.00 0.00 174.62 173.98 3a0r s ILE 516 N -1.00 1.36 -0.04 2.99 1.01 -0.11 0.16 121.20 125.57 3a0r s ILE 516 Ca 0.15 -0.61 -0.17 0.00 0.00 0.00 0.00 60.65 60.01 3a0r s ILE 516 Cb -0.12 -1.21 -0.05 0.00 0.01 0.00 0.00 42.46 41.09 3a0r s ILE 516 CO 0.04 0.40 0.48 -1.81 0.00 0.00 0.00 174.94 174.05 3a0r s ASP 517 N 0.58 6.81 -0.63 3.58 1.01 -1.16 -3.10 116.67 123.75 3a0r s ASP 517 Ca -0.15 0.96 -0.26 0.00 0.71 0.00 0.00 52.55 53.81 3a0r s ASP 517 Cb -0.16 -2.29 -0.05 0.00 1.01 0.00 0.00 42.92 41.42 3a0r s ASP 517 CO 0.05 0.16 2.11 -0.62 0.21 0.00 0.00 175.17 177.08 3a0r s ASP 518 N -0.28 4.84 -0.09 0.27 -1.08 -1.26 -4.46 116.67 114.61 3a0r s ASP 518 Ca 0.26 0.42 0.01 0.00 -0.52 0.00 0.00 52.55 52.72 3a0r s ASP 518 Cb -0.17 -2.53 0.02 0.00 -1.46 0.00 0.00 42.92 38.79 3a0r s ASP 518 CO 0.13 -2.74 -0.10 -0.69 0.52 0.00 0.00 175.17 172.29 3a0r s VAL 519 N 10.81 1.09 0.00 1.11 1.01 -1.26 -4.77 120.40 128.39 3a0r s VAL 519 Ca 0.80 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 62.39 3a0r s VAL 519 Cb -0.13 -1.05 0.00 0.00 0.00 0.00 0.00 36.38 35.20 3a0r s VAL 519 CO 0.18 0.36 0.00 0.35 0.00 0.00 0.00 175.10 176.00 3a0r n THR 520 N 4.38 0.00 -0.22 3.92 -2.24 -1.26 -4.35 114.28 114.52 3a0r n THR 520 Ca -0.18 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.59 3a0r n THR 520 Cb 0.51 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.72 3a0r n THR 520 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3a0r n GLU 521 N 0.00 0.43 0.07 -0.78 1.02 -1.26 -2.13 120.64 117.99 3a0r n GLU 521 Ca 0.00 -0.12 0.00 0.00 -0.02 0.00 0.00 57.16 57.02 3a0r n GLU 521 Cb 0.00 -1.46 0.00 0.00 -0.02 0.00 0.00 31.44 29.96 3a0r n GLU 521 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 3a0r n LEU 522 N 2.23 -1.13 0.25 -4.62 7.94 -1.26 -4.85 117.00 115.56 3a0r n LEU 522 Ca 0.05 0.26 0.12 0.00 -1.11 0.00 0.00 56.01 55.34 3a0r n LEU 522 Cb 0.21 1.35 0.65 0.00 0.53 0.00 0.00 43.42 46.16 3a0r n LEU 522 CO 0.08 -0.30 0.92 1.88 -1.11 0.00 0.00 177.39 178.86 3a0r h TYR 523 N 0.00 0.00 0.00 1.96 0.05 -1.90 0.22 116.97 117.30 3a0r h TYR 523 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3a0r h TYR 523 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 3a0r h TYR 523 CO 0.00 0.15 -0.19 0.87 -1.05 0.00 0.00 178.16 177.95 3a0r h LYS 524 N 0.00 0.00 -0.37 4.88 1.57 -1.79 -2.01 116.57 118.85 3a0r h LYS 524 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3a0r h LYS 524 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.78 3a0r h LYS 524 CO 0.02 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.56 3a0r n TYR 525 N -2.46 0.62 -0.96 -1.35 4.01 0.23 -3.77 117.16 113.49 3a0r n TYR 525 Ca 0.04 -0.57 0.05 0.00 -0.16 0.00 0.00 57.90 57.26 3a0r n TYR 525 Cb 0.46 -0.09 0.07 0.00 -0.31 0.00 0.00 39.34 39.47 3a0r n TYR 525 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 3a0r n GLU 526 N 0.43 1.37 -0.05 -0.72 1.02 0.52 -4.70 120.64 118.50 3a0r n GLU 526 Ca 0.15 -1.85 -0.18 0.00 -0.02 0.00 0.00 57.16 55.26 3a0r n GLU 526 Cb 0.54 -1.11 -0.13 0.00 -0.02 0.00 0.00 31.44 30.72 3a0r n GLU 526 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 3a0r h GLU 527 N 0.00 0.07 0.00 3.49 4.81 -1.45 -3.36 114.58 118.14 3a0r h GLU 527 Ca 0.00 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 3a0r h GLU 527 Cb 0.95 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.37 3a0r h GLU 527 CO 0.00 1.06 0.00 0.39 -0.73 0.00 0.00 179.01 179.73 3a0r n GLU 528 N -4.41 0.05 -0.16 1.92 1.02 -1.25 0.75 120.64 118.55 3a0r n GLU 528 Ca -0.18 0.13 0.12 0.00 -0.02 0.00 0.00 57.16 57.21 3a0r n GLU 528 Cb 0.63 -1.50 0.20 0.00 -0.02 0.00 0.00 31.44 30.75 3a0r n GLU 528 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3a0r n ARG 529 N -1.47 2.49 0.00 3.49 1.74 -1.26 -4.23 116.66 117.42 3a0r n ARG 529 Ca 0.06 -2.24 0.00 0.00 -0.77 0.00 0.00 57.85 54.90 3a0r n ARG 529 Cb 0.23 -1.51 0.00 0.00 -1.02 0.00 0.00 32.46 30.17 3a0r n ARG 529 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3a0r n LYS 530 N 1.49 0.00 -0.37 5.56 5.02 0.24 -4.76 118.16 125.34 3a0r n LYS 530 Ca 0.19 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.51 3a0r n LYS 530 Cb 0.61 -0.03 0.18 0.00 -0.02 0.00 0.00 35.03 35.78 3a0r n LYS 530 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 3a0r h ARG 531 N 0.00 1.11 0.00 1.97 2.43 0.05 0.13 114.38 120.07 3a0r h ARG 531 Ca 0.00 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 3a0r h ARG 531 Cb 0.00 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 29.30 3a0r h ARG 531 CO 0.00 0.74 0.00 0.00 -1.51 0.00 0.00 179.97 179.20 3a0r h ARG 532 N 1.15 0.00 0.00 0.20 3.08 -1.74 0.15 114.38 117.22 3a0r h ARG 532 Ca 0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.49 3a0r h ARG 532 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.27 3a0r h ARG 532 CO -0.19 0.00 -1.51 0.39 -1.07 0.00 0.00 179.97 177.59 3a0r n GLU 533 N -2.52 0.47 0.20 0.04 1.02 0.28 -4.24 120.64 115.89 3a0r n GLU 533 Ca -0.01 -0.11 0.08 0.00 -0.02 0.00 0.00 57.16 57.10 3a0r n GLU 533 Cb 0.10 -1.48 0.27 0.00 -0.02 0.00 0.00 31.44 30.31 3a0r n GLU 533 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3a0r h ARG 534 N 0.00 0.00 -0.26 3.49 -0.00 0.10 -3.17 114.38 114.55 3a0r h ARG 534 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 3a0r h ARG 534 Cb 0.75 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.70 3a0r h ARG 534 CO 0.00 0.27 0.16 -0.07 0.00 0.00 0.00 179.97 180.33 3a0r h LEU 535 N 0.00 0.30 0.31 3.04 3.38 -1.56 -2.88 115.31 117.90 3a0r h LEU 535 Ca -0.00 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3a0r h LEU 535 Cb 1.00 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 3a0r h LEU 535 CO 0.04 0.24 -0.22 0.77 0.09 0.00 0.00 178.44 179.35 3a0r h SER 536 N 0.34 -0.57 -0.20 -0.43 4.64 -1.77 -2.57 113.55 112.98 3a0r h SER 536 Ca 0.09 0.04 -0.07 0.00 -0.47 0.00 0.00 61.79 61.38 3a0r h SER 536 Cb -0.01 0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.24 3a0r h SER 536 CO -0.02 -0.35 -0.10 0.40 -0.87 0.00 0.00 176.83 175.89 3a0r h ILE 537 N -0.53 1.24 0.00 0.95 2.04 -1.67 0.04 117.51 119.57 3a0r h ILE 537 Ca -0.03 -1.03 0.00 0.00 1.00 0.00 0.00 64.86 64.80 3a0r h ILE 537 Cb 0.46 1.09 0.00 0.00 -0.74 0.00 0.00 36.82 37.63 3a0r h ILE 537 CO 0.01 0.34 0.00 -0.11 0.00 0.00 0.00 178.15 178.39 3a0r n LEU 538 N -4.20 0.22 0.00 1.44 7.94 -0.99 -1.23 117.00 120.18 3a0r n LEU 538 Ca 0.01 -0.11 0.00 0.00 -1.11 0.00 0.00 56.01 54.80 3a0r n LEU 538 Cb 0.32 -0.11 0.00 0.00 0.53 0.00 0.00 43.42 44.16 3a0r n LEU 538 CO 0.41 0.05 0.00 0.61 -1.11 0.00 0.00 177.39 177.35 3a0r n GLY 539 N 0.11 -0.27 0.25 -3.96 0.00 -0.01 -4.02 105.19 97.29 3a0r n GLY 539 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 3a0r n GLY 539 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3a0r h GLU 540 N 0.00 -0.12 0.12 1.61 5.08 -1.55 -1.36 114.58 118.36 3a0r h GLU 540 Ca 0.00 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 3a0r h GLU 540 Cb 0.00 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.28 3a0r h GLU 540 CO 0.00 -0.08 -0.06 0.52 -1.00 0.00 0.00 179.01 178.39 3a0r h MET 541 N -0.12 -0.15 -0.89 2.33 2.86 -1.45 0.19 114.93 117.70 3a0r h MET 541 Ca 0.20 0.01 0.17 0.00 -2.06 0.00 0.00 59.70 58.02 3a0r h MET 541 Cb 0.43 0.03 -0.17 0.00 0.06 0.00 0.00 31.60 31.95 3a0r h MET 541 CO -0.48 0.20 -0.24 2.41 1.06 0.00 0.00 176.91 179.86 3a0r n THR 542 N -4.99 -0.39 0.00 2.22 -1.04 -1.02 0.16 114.28 109.22 3a0r n THR 542 Ca -0.09 2.04 0.00 0.00 -2.04 0.00 0.00 64.05 63.97 3a0r n THR 542 Cb 0.22 -2.81 0.00 0.00 -1.82 0.00 0.00 70.33 65.92 3a0r n THR 542 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3a0r n ALA 543 N -3.65 -0.27 -0.47 2.41 0.00 -0.54 -0.27 120.51 117.72 3a0r n ALA 543 Ca 0.13 0.00 0.38 0.00 0.00 0.00 0.00 53.44 53.96 3a0r n ALA 543 Cb 0.43 0.00 0.68 0.00 0.00 0.00 0.00 19.45 20.56 3a0r n ALA 543 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3a0r h ARG 544 N 0.00 0.08 0.05 0.00 2.43 0.76 0.26 114.38 117.96 3a0r h ARG 544 Ca 0.00 -0.01 -0.36 0.00 -0.81 0.00 0.00 59.98 58.81 3a0r h ARG 544 Cb 0.00 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.49 3a0r h ARG 544 CO 0.00 0.06 -2.13 0.28 -1.51 0.00 0.00 179.97 176.67 3a0r n VAL 545 N -4.53 1.63 0.04 0.20 0.31 0.12 -3.75 118.33 112.35 3a0r n VAL 545 Ca 0.37 -0.68 0.22 0.00 -0.01 0.00 0.00 64.34 64.23 3a0r n VAL 545 Cb 1.47 -1.37 0.70 0.00 -0.91 0.00 0.00 33.84 33.73 3a0r n VAL 545 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3a0r h ALA 546 N 0.33 2.25 0.03 3.52 0.00 0.26 0.71 119.26 126.37 3a0r h ALA 546 Ca -0.46 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 3a0r h ALA 546 Cb 2.02 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.85 3a0r h ALA 546 CO 0.03 -0.84 -0.02 0.45 0.00 0.00 0.00 179.25 178.88 3a0r h HIS 547 N 0.00 -0.04 0.00 0.00 -0.00 -1.28 -2.83 115.15 111.00 3a0r h HIS 547 Ca 0.24 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.61 3a0r h HIS 547 Cb 1.38 0.01 0.00 0.00 -0.00 0.00 0.00 27.41 28.81 3a0r h HIS 547 CO 0.00 0.33 0.04 0.39 -0.00 0.00 0.00 177.93 178.69 3a0r n GLU 548 N -4.93 0.00 -0.05 2.45 1.02 0.24 -2.04 120.64 117.33 3a0r n GLU 548 Ca -0.08 0.21 -0.01 0.00 -0.02 0.00 0.00 57.16 57.26 3a0r n GLU 548 Cb 0.20 -1.54 -0.01 0.00 -0.02 0.00 0.00 31.44 30.08 3a0r n GLU 548 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3a0r h ILE 549 N 0.00 0.11 -0.60 -3.67 2.04 -1.18 -3.37 117.51 110.84 3a0r h ILE 549 Ca 0.00 -1.09 0.12 0.00 1.00 0.00 0.00 64.86 64.89 3a0r h ILE 549 Cb 0.08 0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 36.34 3a0r h ILE 549 CO 0.00 0.04 0.41 0.03 0.00 0.00 0.00 178.15 178.63 3a0r h ARG 550 N -1.00 0.29 0.33 2.37 3.08 -1.50 -2.70 114.38 115.26 3a0r h ARG 550 Ca -0.00 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 3a0r h ARG 550 Cb 0.09 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.04 3a0r h ARG 550 CO -0.00 0.19 -0.49 -0.91 -1.07 0.00 0.00 179.97 177.69 3a0r h ASN 551 N 0.30 -1.40 1.47 7.04 2.35 -1.71 0.84 115.58 124.46 3a0r h ASN 551 Ca 0.28 0.13 0.00 0.00 -0.55 0.00 0.00 56.30 56.16 3a0r h ASN 551 Cb 0.70 0.49 0.00 0.00 0.05 0.00 0.00 38.32 39.56 3a0r h ASN 551 CO -0.07 -0.60 0.00 -0.65 -1.65 0.00 0.00 177.43 174.46 3a0r h PRO 552 N -0.87 0.00 -0.29 0.81 0.11 -1.77 -3.25 132.00 126.75 3a0r h PRO 552 Ca -0.03 0.00 0.04 0.00 0.11 0.00 0.00 66.00 66.11 3a0r h PRO 552 Cb 0.80 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.88 3a0r h PRO 552 CO -0.15 0.00 0.08 0.82 -0.21 0.00 0.00 178.00 178.53 3a0r h ILE 553 N 0.00 0.89 0.00 4.15 2.04 -0.64 0.14 117.51 124.09 3a0r h ILE 553 Ca 0.00 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.79 3a0r h ILE 553 Cb 0.73 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 37.50 3a0r h ILE 553 CO 0.00 0.04 0.00 0.71 0.00 0.00 0.00 178.15 178.90 3a0r h THR 554 N 0.19 0.00 0.00 -0.27 1.35 0.56 0.17 112.91 114.92 3a0r h THR 554 Ca 0.13 -0.32 -0.09 0.00 -0.55 0.00 0.00 66.41 65.58 3a0r h THR 554 Cb 0.12 1.27 -0.01 0.00 -1.73 0.00 0.00 68.15 67.79 3a0r h THR 554 CO -0.15 0.00 -0.55 0.40 -0.25 0.00 0.00 175.52 174.97 3a0r h ILE 555 N 0.00 1.10 -0.36 6.82 2.04 -1.39 -2.30 117.51 123.42 3a0r h ILE 555 Ca 0.00 -2.02 -0.05 0.00 1.00 0.00 0.00 64.86 63.79 3a0r h ILE 555 Cb 0.33 2.27 -0.01 0.00 -0.74 0.00 0.00 36.82 38.67 3a0r h ILE 555 CO 0.00 0.37 0.03 0.40 0.00 0.00 0.00 178.15 178.95 3a0r h ILE 556 N -1.00 1.25 -0.43 -0.67 2.04 -0.59 0.37 117.51 118.47 3a0r h ILE 556 Ca -0.14 -0.91 -0.11 0.00 1.00 0.00 0.00 64.86 64.70 3a0r h ILE 556 Cb 0.97 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 38.19 3a0r h ILE 556 CO -0.08 0.30 -0.17 1.23 0.00 0.00 0.00 178.15 179.43 3a0r h GLY 557 N 0.43 0.90 1.47 5.37 0.00 -0.86 -3.15 103.07 107.22 3a0r h GLY 557 Ca 0.10 -0.73 -0.10 0.00 0.00 0.00 0.00 47.33 46.60 3a0r h GLY 557 CO 0.01 0.67 -0.21 -1.33 0.00 0.00 0.00 176.54 175.68 3a0r h GLY 558 N 0.96 0.67 2.00 4.60 0.00 -0.89 -2.65 103.07 107.77 3a0r h GLY 558 Ca 0.11 -0.55 -0.05 0.00 0.00 0.00 0.00 47.33 46.85 3a0r h GLY 558 CO 0.05 0.50 -0.23 0.74 0.00 0.00 0.00 176.54 177.60 3a0r h PHE 559 N 0.55 0.00 -0.04 5.60 0.04 -0.32 -2.52 116.94 120.26 3a0r h PHE 559 Ca 0.08 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.76 3a0r h PHE 559 Cb 0.67 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.80 3a0r h PHE 559 CO 0.03 0.23 -0.43 0.82 -0.60 0.00 0.00 178.31 178.36 3a0r h ILE 560 N 0.00 1.32 -0.80 -0.55 2.04 -1.43 0.47 117.51 118.55 3a0r h ILE 560 Ca -0.00 -1.53 -0.47 0.00 1.00 0.00 0.00 64.86 63.87 3a0r h ILE 560 Cb 0.76 1.78 -0.24 0.00 -0.74 0.00 0.00 36.82 38.38 3a0r h ILE 560 CO 0.03 0.44 0.60 0.80 0.00 0.00 0.00 178.15 180.02 3a0r n MET 561 N -4.02 2.14 0.00 2.37 1.56 -0.97 -3.88 117.12 114.32 3a0r n MET 561 Ca -0.02 -2.50 0.00 0.00 -0.27 0.00 0.00 57.70 54.91 3a0r n MET 561 Cb 0.47 -1.98 0.00 0.00 2.15 0.00 0.00 33.22 33.86 3a0r n MET 561 CO 0.00 0.00 0.00 0.54 -0.73 0.00 0.00 175.97 175.78 3a0r n ARG 562 N -0.68 0.00 0.09 2.12 1.74 -0.65 -4.89 116.66 114.38 3a0r n ARG 562 Ca 0.49 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.69 3a0r n ARG 562 Cb 1.13 -0.44 0.16 0.00 -1.02 0.00 0.00 32.46 32.30 3a0r n ARG 562 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3a0r h MET 563 N 0.00 0.00 -1.29 5.56 -0.00 -0.27 -3.39 114.93 115.54 3a0r h MET 563 Ca 0.00 0.00 -0.49 0.00 -0.00 0.00 0.00 59.70 59.21 3a0r h MET 563 Cb 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 31.60 31.39 3a0r h MET 563 CO 0.00 0.00 0.64 1.17 -0.00 0.00 0.00 176.91 178.72 3a0r n LYS 564 N -2.32 2.23 -0.41 -0.10 3.00 -1.25 -3.88 118.16 115.43 3a0r n LYS 564 Ca 0.03 -2.38 0.00 0.00 -0.00 0.00 0.00 58.31 55.96 3a0r n LYS 564 Cb 0.47 -1.94 0.00 0.00 0.00 0.00 0.00 35.03 33.56 3a0r n LYS 564 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 3a0r n LYS 565 N -0.24 0.00 0.10 1.64 4.81 -1.26 -5.01 118.16 118.20 3a0r n LYS 565 Ca 0.46 -0.34 -0.05 0.00 -0.87 0.00 0.00 58.31 57.50 3a0r n LYS 565 Cb 0.61 -0.19 -0.02 0.00 0.02 0.00 0.00 35.03 35.45 3a0r n LYS 565 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 3a0r h HIS 566 N 0.00 -0.31 -3.43 5.64 3.86 -1.86 -3.49 115.15 115.56 3a0r h HIS 566 Ca 0.00 -0.01 -0.66 0.00 -1.16 0.00 0.00 60.37 58.54 3a0r h HIS 566 Cb 1.12 0.10 -0.14 0.00 1.06 0.00 0.00 27.41 29.56 3a0r h HIS 566 CO -0.12 -0.19 -0.68 -1.17 0.86 0.00 0.00 177.93 176.63 3a0r s LEU 567 N -8.00 3.33 -0.10 2.43 0.20 -1.26 -5.05 118.68 110.24 3a0r s LEU 567 Ca -0.05 -0.20 -0.07 0.00 0.69 0.00 0.00 54.13 54.50 3a0r s LEU 567 Cb 0.00 -2.04 0.03 0.00 -0.43 0.00 0.00 46.19 43.75 3a0r s LEU 567 CO 0.14 0.20 0.13 0.47 -0.29 0.00 0.00 176.35 177.01 3a0r n ASP 568 N 0.81 -1.10 -4.87 3.68 8.00 -1.26 -5.05 116.55 116.77 3a0r n ASP 568 Ca -0.12 0.71 -0.30 0.00 0.71 0.00 0.00 54.79 55.79 3a0r n ASP 568 Cb 0.52 -3.25 -0.02 0.00 -0.02 0.00 0.00 41.12 38.35 3a0r n ASP 568 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3a0r s ASP 569 N -0.35 6.48 0.00 -2.24 2.15 -1.26 -4.89 116.67 116.55 3a0r s ASP 569 Ca -0.15 1.19 0.00 0.00 0.43 0.00 0.00 52.55 54.01 3a0r s ASP 569 Cb 0.01 -2.35 0.00 0.00 -0.30 0.00 0.00 42.92 40.28 3a0r s ASP 569 CO 0.42 -0.49 0.01 -0.81 -0.17 0.00 0.00 175.17 174.13 3a0r n PRO 570 N -1.60 0.00 0.00 4.34 -0.04 -1.26 -4.56 135.00 131.89 3a0r n PRO 570 Ca 0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 3a0r n PRO 570 Cb 0.54 -0.99 0.00 0.00 -0.04 0.00 0.00 33.50 33.01 3a0r n PRO 570 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3a0r n GLU 571 N 1.53 0.00 0.10 0.54 0.00 -1.26 -4.70 120.64 116.85 3a0r n GLU 571 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 57.16 57.25 3a0r n GLU 571 Cb 0.00 -3.33 0.42 0.00 0.00 0.00 0.00 31.44 28.52 3a0r n GLU 571 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.13 174.76 3a0r n THR 572 N -1.47 1.11 -1.98 6.31 5.66 -1.26 -2.98 114.28 119.67 3a0r n THR 572 Ca 0.00 0.44 -0.39 0.00 -3.05 0.00 0.00 64.05 61.04 3a0r n THR 572 Cb 0.00 -1.37 -0.01 0.00 -1.55 0.00 0.00 70.33 67.40 3a0r n THR 572 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 3a0r n LEU 573 N -2.01 7.97 0.00 1.09 4.77 -1.26 -4.03 117.00 123.53 3a0r n LEU 573 Ca 0.01 -4.86 0.00 0.00 -0.03 0.00 0.00 56.01 51.13 3a0r n LEU 573 Cb 0.12 -1.35 0.00 0.00 -2.33 0.00 0.00 43.42 39.86 3a0r n LEU 573 CO 0.12 2.05 -0.25 1.17 -1.33 0.00 0.00 177.39 179.15 3a0r n LYS 574 N 1.64 0.00 -0.18 3.23 4.81 -1.16 -4.59 118.16 121.92 3a0r n LYS 574 Ca 0.62 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.96 3a0r n LYS 574 Cb 0.26 -0.70 0.01 0.00 0.02 0.00 0.00 35.03 34.62 3a0r n LYS 574 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 3a0r h LYS 575 N 0.00 0.85 -0.00 1.64 1.57 -1.84 -0.98 116.57 117.81 3a0r h LYS 575 Ca 0.00 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 3a0r h LYS 575 Cb 0.50 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.71 3a0r h LYS 575 CO 0.00 0.85 -0.08 0.66 -0.57 0.00 0.00 179.45 180.31 3a0r n TYR 576 N -4.39 0.00 -0.10 -1.35 4.02 -1.26 -3.03 117.16 111.05 3a0r n TYR 576 Ca 0.01 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.75 3a0r n TYR 576 Cb 0.27 -0.24 -0.05 0.00 -0.02 0.00 0.00 39.34 39.29 3a0r n TYR 576 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96 3a0r n ILE 577 N -1.13 1.50 0.00 -0.72 2.08 -1.14 -4.46 119.36 115.49 3a0r n ILE 577 Ca 0.14 -0.01 -0.12 0.00 0.56 0.00 0.00 62.75 63.32 3a0r n ILE 577 Cb 0.27 -2.21 -0.08 0.00 -0.75 0.00 0.00 39.64 36.87 3a0r n ILE 577 CO 0.00 0.00 0.00 0.78 0.56 0.00 0.00 176.55 177.89 3a0r h ASN 578 N -1.00 0.04 -0.03 4.38 4.21 -1.32 -2.03 115.58 119.83 3a0r h ASN 578 Ca -0.21 -0.24 -0.10 0.00 1.21 0.00 0.00 56.30 56.95 3a0r h ASN 578 Cb 1.15 -0.01 -0.01 0.00 -1.12 0.00 0.00 38.32 38.32 3a0r h ASN 578 CO -0.13 0.27 -0.30 0.40 -1.29 0.00 0.00 177.43 176.38 3a0r h ILE 579 N -0.20 1.28 -0.00 2.81 2.04 -1.74 1.27 117.51 122.97 3a0r h ILE 579 Ca 0.01 -1.36 -0.19 0.00 1.00 0.00 0.00 64.86 64.32 3a0r h ILE 579 Cb 0.25 1.42 -0.01 0.00 -0.74 0.00 0.00 36.82 37.74 3a0r h ILE 579 CO 0.00 0.43 -0.84 0.40 0.00 0.00 0.00 178.15 178.14 3a0r h ILE 580 N 0.41 1.51 -0.28 -0.67 2.04 -1.77 0.12 117.51 118.87 3a0r h ILE 580 Ca 0.05 -2.63 -0.12 0.00 1.00 0.00 0.00 64.86 63.17 3a0r h ILE 580 Cb 0.73 2.45 -0.01 0.00 -0.74 0.00 0.00 36.82 39.25 3a0r h ILE 580 CO 0.06 0.76 -0.32 0.74 0.00 0.00 0.00 178.15 179.39 3a0r h THR 581 N 0.08 1.28 -0.07 -0.27 2.02 -0.92 -3.28 112.91 111.75 3a0r h THR 581 Ca -0.03 -1.44 -0.18 0.00 0.77 0.00 0.00 66.41 65.53 3a0r h THR 581 Cb 1.46 1.41 -0.01 0.00 -1.74 0.00 0.00 68.15 69.28 3a0r h THR 581 CO 0.12 0.46 -0.72 -1.13 0.37 0.00 0.00 175.52 174.63 3a0r h ASN 582 N 0.51 0.43 0.71 4.18 -0.73 0.19 -2.40 115.58 118.48 3a0r h ASN 582 Ca 0.06 -0.28 -0.07 0.00 1.87 0.00 0.00 56.30 57.88 3a0r h ASN 582 Cb 0.80 -0.13 -0.01 0.00 0.27 0.00 0.00 38.32 39.26 3a0r h ASN 582 CO 0.07 1.01 -0.34 -0.08 -0.37 0.00 0.00 177.43 177.72 3a0r h GLU 583 N 0.25 0.00 0.01 6.67 4.81 -0.83 -2.11 114.58 123.37 3a0r h GLU 583 Ca -0.03 0.00 -0.25 0.00 -0.13 0.00 0.00 59.36 58.96 3a0r h GLU 583 Cb 1.29 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.63 3a0r h GLU 583 CO 0.12 0.34 -1.28 1.25 -0.73 0.00 0.00 179.01 178.70 3a0r h LEU 584 N 0.00 0.03 -0.00 1.64 5.85 -1.63 -3.25 115.31 117.94 3a0r h LEU 584 Ca -0.00 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.68 3a0r h LEU 584 Cb 0.78 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.80 3a0r h LEU 584 CO 0.04 1.03 0.00 0.28 -0.34 0.00 0.00 178.44 179.46 3a0r h SER 585 N 0.00 0.01 0.92 1.25 0.02 -0.86 0.90 113.55 115.79 3a0r h SER 585 Ca -0.12 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 3a0r h SER 585 Cb 1.87 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.41 3a0r h SER 585 CO 0.11 0.04 0.00 0.54 -1.14 0.00 0.00 176.83 176.39 3a0r n ARG 586 N -5.07 0.11 0.11 3.45 1.74 -0.91 -1.33 116.66 114.75 3a0r n ARG 586 Ca -0.07 0.21 -0.20 0.00 -0.77 0.00 0.00 57.85 57.02 3a0r n ARG 586 Cb 0.05 -1.66 -0.13 0.00 -1.02 0.00 0.00 32.46 29.70 3a0r n ARG 586 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3a0r h LEU 587 N 0.00 0.71 -0.50 0.55 5.85 -1.32 0.87 115.31 121.47 3a0r h LEU 587 Ca 0.00 -0.69 0.06 0.00 0.84 0.00 0.00 57.88 58.09 3a0r h LEU 587 Cb 0.46 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.21 3a0r h LEU 587 CO 0.00 1.52 0.21 -0.33 -0.34 0.00 0.00 178.44 179.50 3a0r h GLU 588 N 0.19 0.41 0.00 1.25 5.08 0.14 0.69 114.58 122.34 3a0r h GLU 588 Ca -0.18 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 3a0r h GLU 588 Cb 1.94 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 31.10 3a0r h GLU 588 CO 0.23 0.27 0.00 2.41 -1.00 0.00 0.00 179.01 180.92 3a0r n THR 589 N -4.95 0.00 0.10 1.13 -1.04 -0.44 0.12 114.28 109.19 3a0r n THR 589 Ca 0.05 1.46 0.00 0.00 -2.04 0.00 0.00 64.05 63.52 3a0r n THR 589 Cb 0.17 -2.29 0.01 0.00 -1.82 0.00 0.00 70.33 66.41 3a0r n THR 589 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 3a0r n ILE 590 N -2.19 0.00 -0.08 12.58 5.41 0.30 0.68 119.36 136.06 3a0r n ILE 590 Ca 0.00 0.00 -0.15 0.00 1.00 0.00 0.00 62.75 63.60 3a0r n ILE 590 Cb 0.00 -0.62 -0.05 0.00 -0.71 0.00 0.00 39.64 38.25 3a0r n ILE 590 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 3a0r n VAL 591 N -0.65 1.22 -0.35 1.39 0.31 0.24 -4.23 118.33 116.26 3a0r n VAL 591 Ca 0.00 -0.07 0.05 0.00 -0.01 0.00 0.00 64.34 64.31 3a0r n VAL 591 Cb 0.00 -1.91 0.21 0.00 -0.91 0.00 0.00 33.84 31.23 3a0r n VAL 591 CO 0.00 0.00 0.00 0.07 -1.32 0.00 0.00 176.83 175.58 3a0r h LYS 592 N -0.71 0.95 -0.72 5.55 2.10 0.35 0.29 116.57 124.38 3a0r h LYS 592 Ca -0.30 -0.06 0.14 0.00 -2.00 0.00 0.00 60.65 58.43 3a0r h LYS 592 Cb 1.14 -0.22 -0.05 0.00 -0.90 0.00 0.00 32.23 32.21 3a0r h LYS 592 CO -0.18 0.63 0.48 0.93 -2.00 0.00 0.00 179.45 179.31 3a0r h GLU 593 N 0.98 0.41 0.00 0.07 5.08 0.05 0.70 114.58 121.87 3a0r h GLU 593 Ca 0.46 -0.02 -0.18 0.00 -1.00 0.00 0.00 59.36 58.62 3a0r h GLU 593 Cb 0.40 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 3a0r h GLU 593 CO -0.24 0.27 -0.94 0.82 -1.00 0.00 0.00 179.01 177.92 3a0r h ILE 594 N 0.42 1.20 0.00 3.13 2.04 -1.08 -3.16 117.51 120.06 3a0r h ILE 594 Ca 0.35 -2.78 -0.06 0.00 1.00 0.00 0.00 64.86 63.37 3a0r h ILE 594 Cb 0.78 2.57 -0.01 0.00 -0.74 0.00 0.00 36.82 39.42 3a0r h ILE 594 CO -0.11 0.69 -0.28 -0.07 0.00 0.00 0.00 178.15 178.37 3a0r h LEU 595 N 0.00 0.00 -0.18 1.44 3.38 0.35 -1.12 115.31 119.19 3a0r h LEU 595 Ca -0.05 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.96 3a0r h LEU 595 Cb 1.64 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.35 3a0r h LEU 595 CO 0.09 0.28 -0.09 -0.08 0.09 0.00 0.00 178.44 178.73 3a0r h GLU 596 N 0.00 -0.08 0.00 1.13 4.81 0.09 -2.94 114.58 117.59 3a0r h GLU 596 Ca -0.00 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3a0r h GLU 596 Cb 0.67 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.06 3a0r h GLU 596 CO 0.04 -0.05 0.18 0.98 -0.73 0.00 0.00 179.01 179.42 3a0r n TYR 597 N -5.25 0.00 -0.10 0.92 9.36 -0.42 0.65 117.16 122.32 3a0r n TYR 597 Ca -0.02 0.00 -0.18 0.00 3.32 0.00 0.00 57.90 61.01 3a0r n TYR 597 Cb 0.17 -0.23 -0.08 0.00 -0.63 0.00 0.00 39.34 38.57 3a0r n TYR 597 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 3a0r n SER 598 N -1.19 1.88 0.15 2.98 2.88 -1.11 -4.81 113.62 114.40 3a0r n SER 598 Ca 0.00 0.44 0.02 0.00 -1.33 0.00 0.00 58.87 58.00 3a0r n SER 598 Cb 0.18 -0.89 0.20 0.00 -0.75 0.00 0.00 64.21 62.95 3a0r n SER 598 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 3a0r h LYS 599 N -1.00 0.00 0.00 -1.46 1.63 0.17 -3.44 116.57 112.47 3a0r h LYS 599 Ca -0.31 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.49 3a0r h LYS 599 Cb 1.15 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.78 3a0r h LYS 599 CO -0.19 0.54 0.00 -1.91 -3.45 0.00 0.00 179.45 174.44 3a0r n GLU 600 N -3.59 2.89 -2.89 1.90 0.00 -1.16 -5.14 120.64 112.65 3a0r n GLU 600 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 57.16 57.12 3a0r n GLU 600 Cb 0.61 0.00 0.02 0.00 0.00 0.00 0.00 31.44 32.07 3a0r n GLU 600 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 3a0r n ARG 601 N 0.00 -1.38 -2.84 5.31 1.74 -1.26 -5.11 116.66 113.13 3a0r n ARG 601 Ca 0.00 1.18 -0.29 0.00 -0.77 0.00 0.00 57.85 57.97 3a0r n ARG 601 Cb 0.00 -5.19 -0.02 0.00 -1.02 0.00 0.00 32.46 26.23 3a0r n ARG 601 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3a0r s VAL 603 N -3.10 4.87 -0.06 1.55 0.11 -1.26 -5.16 120.40 117.34 3a0r s VAL 603 Ca 0.12 0.38 -0.02 0.00 -2.93 0.00 0.00 61.98 59.53 3a0r s VAL 603 Cb -0.02 -3.78 0.03 0.00 -1.53 0.00 0.00 36.38 31.08 3a0r s VAL 603 CO 0.64 -0.62 0.04 -0.76 -3.33 0.00 0.00 175.10 171.07 3a0r s LEU 604 N -4.16 0.36 -0.32 2.54 1.43 0.16 -4.99 118.68 113.69 3a0r s LEU 604 Ca 0.49 -0.04 0.02 0.00 -1.03 0.00 0.00 54.13 53.57 3a0r s LEU 604 Cb -0.10 -0.28 0.10 0.00 0.03 0.00 0.00 46.19 45.93 3a0r s LEU 604 CO 0.36 -0.23 0.06 -0.70 0.23 0.00 0.00 176.35 176.07 3a0r s GLU 605 N 2.08 1.23 -0.09 1.70 2.12 -1.26 0.17 118.70 124.66 3a0r s GLU 605 Ca 0.05 -1.55 -0.23 0.00 0.36 0.00 0.00 54.97 53.60 3a0r s GLU 605 Cb -0.12 -2.75 -0.03 0.00 0.26 0.00 0.00 34.13 31.48 3a0r s GLU 605 CO -0.04 -0.93 0.69 -0.06 -0.54 0.00 0.00 175.26 174.37 3a0r s PHE 606 N 1.17 3.55 0.03 5.30 0.40 -0.46 -3.24 117.98 124.74 3a0r s PHE 606 Ca 0.09 1.20 -0.01 0.00 -0.60 0.00 0.00 56.93 57.61 3a0r s PHE 606 Cb -0.18 -2.80 -0.03 0.00 0.51 0.00 0.00 43.02 40.52 3a0r s PHE 606 CO -0.14 0.05 -0.01 0.95 0.70 0.00 0.00 175.22 176.77 3a0r s THR 607 N 0.97 0.16 0.04 0.64 -4.23 0.12 -2.94 115.64 110.39 3a0r s THR 607 Ca 0.36 -1.30 -0.18 0.00 -1.18 0.00 0.00 61.69 59.40 3a0r s THR 607 Cb -0.17 -0.87 -0.06 0.00 1.34 0.00 0.00 72.50 72.74 3a0r s THR 607 CO 0.17 -0.72 0.50 -0.70 -0.54 0.00 0.00 174.62 173.33 3a0r s GLU 608 N -2.63 4.10 -0.15 3.99 2.12 -1.25 -0.98 118.70 123.90 3a0r s GLU 608 Ca -0.05 0.60 -0.31 0.00 0.36 0.00 0.00 54.97 55.57 3a0r s GLU 608 Cb -0.01 -3.24 0.13 0.00 0.26 0.00 0.00 34.13 31.27 3a0r s GLU 608 CO -0.05 0.64 1.08 -0.59 -0.54 0.00 0.00 175.26 175.80 3a0r s PHE 609 N -1.03 -0.25 -0.15 5.30 -0.71 -1.18 -4.95 117.98 115.01 3a0r s PHE 609 Ca 0.27 0.29 -0.29 0.00 -1.04 0.00 0.00 56.93 56.16 3a0r s PHE 609 Cb -0.18 0.50 -0.02 0.00 -1.21 0.00 0.00 43.02 42.11 3a0r s PHE 609 CO 0.17 -0.31 1.29 1.21 -1.34 0.00 0.00 175.22 176.23 3a0r s ASN 610 N -1.75 6.93 0.12 1.98 3.84 -1.26 -1.97 114.94 122.83 3a0r s ASN 610 Ca 0.05 1.73 -0.25 0.00 0.21 0.00 0.00 52.86 54.60 3a0r s ASN 610 Cb -0.01 -2.54 -0.06 0.00 -0.55 0.00 0.00 41.25 38.10 3a0r s ASN 610 CO -0.04 -0.77 1.65 0.25 -2.79 0.00 0.00 177.10 175.40 3a0r h LEU 611 N 9.70 -0.64 -1.32 3.21 5.85 -0.56 -0.44 115.31 131.11 3a0r h LEU 611 Ca -0.27 0.09 0.07 0.00 0.84 0.00 0.00 57.88 58.61 3a0r h LEU 611 Cb 1.11 0.27 -0.05 0.00 0.37 0.00 0.00 40.66 42.35 3a0r h LEU 611 CO 0.97 -0.29 0.51 0.78 -0.34 0.00 0.00 178.44 180.07 3a0r h ASN 612 N -0.35 0.72 -0.13 1.25 4.21 -1.91 1.29 115.58 120.65 3a0r h ASN 612 Ca 0.06 0.01 0.03 0.00 1.21 0.00 0.00 56.30 57.61 3a0r h ASN 612 Cb 0.43 -0.14 -0.01 0.00 -1.12 0.00 0.00 38.32 37.48 3a0r h ASN 612 CO -0.20 0.45 0.09 -0.08 -1.29 0.00 0.00 177.43 176.41 3a0r h GLU 613 N 0.81 0.03 0.12 0.81 4.81 -1.46 0.40 114.58 120.10 3a0r h GLU 613 Ca 0.34 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.57 3a0r h GLU 613 Cb 0.30 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.67 3a0r h GLU 613 CO -0.12 0.02 -0.06 1.25 -0.73 0.00 0.00 179.01 179.37 3a0r h LEU 614 N 0.03 -0.14 -0.93 1.64 5.85 0.15 -3.20 115.31 118.72 3a0r h LEU 614 Ca 0.06 -0.35 0.12 0.00 0.84 0.00 0.00 57.88 58.55 3a0r h LEU 614 Cb 0.20 0.03 -0.13 0.00 0.37 0.00 0.00 40.66 41.13 3a0r h LEU 614 CO -0.00 0.48 -0.43 -0.38 -0.34 0.00 0.00 178.44 177.76 3a0r n ILE 615 N -4.85 -0.54 0.11 4.05 5.41 0.38 0.28 119.36 124.19 3a0r n ILE 615 Ca -0.06 2.20 -0.09 0.00 1.00 0.00 0.00 62.75 65.79 3a0r n ILE 615 Cb 0.24 -2.83 -0.05 0.00 -0.71 0.00 0.00 39.64 36.29 3a0r n ILE 615 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 3a0r h ARG 616 N 0.00 -0.45 -0.58 0.38 3.08 -0.54 -3.07 114.38 113.20 3a0r h ARG 616 Ca 0.26 0.03 0.16 0.00 0.07 0.00 0.00 59.98 60.49 3a0r h ARG 616 Cb 0.49 0.10 -0.11 0.00 0.08 0.00 0.00 29.97 30.53 3a0r h ARG 616 CO -0.90 -0.30 -0.00 -1.91 -1.07 0.00 0.00 179.97 175.78 3a0r n GLU 617 N -4.00 -0.05 0.23 0.04 2.13 0.14 0.77 120.64 119.91 3a0r n GLU 617 Ca -0.05 0.88 -0.09 0.00 0.66 0.00 0.00 57.16 58.55 3a0r n GLU 617 Cb 0.23 -1.38 -0.04 0.00 0.27 0.00 0.00 31.44 30.51 3a0r n GLU 617 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3a0r h VAL 618 N 0.00 0.00 -1.36 6.31 2.07 -1.30 -2.88 116.25 119.09 3a0r h VAL 618 Ca 0.35 -0.03 0.43 0.00 0.82 0.00 0.00 66.70 68.27 3a0r h VAL 618 Cb 0.70 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.35 3a0r h VAL 618 CO -0.55 0.00 0.89 0.22 0.02 0.00 0.00 177.57 178.15 3a0r h TYR 619 N -0.61 0.45 -0.63 1.57 3.20 0.35 0.66 116.97 121.97 3a0r h TYR 619 Ca -0.06 0.02 0.11 0.00 3.14 0.00 0.00 58.73 61.94 3a0r h TYR 619 Cb 0.45 -0.11 -0.08 0.00 1.54 0.00 0.00 36.73 38.52 3a0r h TYR 619 CO 0.12 -0.16 0.19 0.28 -1.64 0.00 0.00 178.16 176.95 3a0r h VAL 620 N 0.09 0.69 -0.16 1.81 2.07 -1.17 0.11 116.25 119.69 3a0r h VAL 620 Ca 0.80 -0.12 -0.04 0.00 0.82 0.00 0.00 66.70 68.16 3a0r h VAL 620 Cb 2.60 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 32.69 3a0r h VAL 620 CO -0.35 0.06 -0.07 -0.07 0.02 0.00 0.00 177.57 177.16 3a0r h LEU 621 N 0.34 0.34 -0.58 2.57 3.38 0.32 -3.18 115.31 118.50 3a0r h LEU 621 Ca 0.33 -0.40 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 3a0r h LEU 621 Cb 0.46 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 3a0r h LEU 621 CO -0.37 0.66 0.23 -0.26 0.09 0.00 0.00 178.44 178.80 3a0r h PHE 622 N 0.01 0.88 0.00 1.13 0.04 -1.42 -3.38 116.94 114.19 3a0r h PHE 622 Ca 0.04 -0.07 0.00 0.00 2.80 0.00 0.00 57.97 60.74 3a0r h PHE 622 Cb 0.53 -0.26 0.00 0.00 2.20 0.00 0.00 35.95 38.42 3a0r h PHE 622 CO 0.06 0.71 0.00 -1.91 -0.60 0.00 0.00 178.31 176.57 3a0r n GLU 623 N -4.48 0.00 -0.43 1.51 2.13 0.36 -0.60 120.64 119.13 3a0r n GLU 623 Ca 0.03 0.00 0.37 0.00 0.66 0.00 0.00 57.16 58.23 3a0r n GLU 623 Cb 0.16 0.00 0.71 0.00 0.27 0.00 0.00 31.44 32.58 3a0r n GLU 623 CO 0.00 0.00 0.00 1.05 -0.41 0.00 0.00 177.13 177.77 3a0r h GLU 624 N 0.00 0.08 0.11 5.31 4.11 -1.81 0.36 114.58 122.74 3a0r h GLU 624 Ca 0.00 -0.00 -0.28 0.00 0.07 0.00 0.00 59.36 59.14 3a0r h GLU 624 Cb 0.00 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 3a0r h GLU 624 CO 0.00 0.05 -1.47 -0.22 0.07 0.00 0.00 179.01 177.45 3a0r h LYS 625 N 0.08 0.23 -0.37 1.06 3.64 -1.17 -3.09 116.57 116.95 3a0r h LYS 625 Ca 0.70 -0.39 0.01 0.00 -1.27 0.00 0.00 60.65 59.70 3a0r h LYS 625 Cb 2.53 0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 34.48 3a0r h LYS 625 CO -0.14 1.19 0.24 0.82 -2.27 0.00 0.00 179.45 179.29 3a0r h ILE 626 N -0.31 1.08 -0.20 2.00 2.04 -0.88 0.41 117.51 121.65 3a0r h ILE 626 Ca -0.32 -0.17 -0.04 0.00 1.00 0.00 0.00 64.86 65.33 3a0r h ILE 626 Cb 1.76 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 38.38 3a0r h ILE 626 CO 0.04 0.09 -0.07 -0.09 0.00 0.00 0.00 178.15 178.12 3a0r h ARG 627 N 0.48 0.31 0.13 2.37 2.43 -0.53 -3.13 114.38 116.44 3a0r h ARG 627 Ca 0.14 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 3a0r h ARG 627 Cb -0.03 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.47 3a0r h ARG 627 CO -0.03 0.40 -0.06 -0.22 -1.51 0.00 0.00 179.97 178.55 3a0r h LYS 628 N 0.30 -0.17 -1.93 0.20 3.64 -0.12 -3.28 116.57 115.21 3a0r h LYS 628 Ca 0.07 0.01 -0.21 0.00 -1.27 0.00 0.00 60.65 59.24 3a0r h LYS 628 Cb 0.32 0.04 -0.08 0.00 -0.41 0.00 0.00 32.23 32.10 3a0r h LYS 628 CO 0.02 0.18 -0.03 -1.33 -2.27 0.00 0.00 179.45 176.01 3a0r n MET 629 N -5.01 1.78 -0.18 1.90 2.81 -0.80 -4.89 117.12 112.72 3a0r n MET 629 Ca -0.09 -1.05 0.00 0.00 -1.81 0.00 0.00 57.70 54.75 3a0r n MET 629 Cb 0.22 -1.70 0.00 0.00 -0.71 0.00 0.00 33.22 31.03 3a0r n MET 629 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 3a0r n ASN 630 N 1.64 0.00 -4.50 7.83 5.15 -1.24 -3.88 115.26 120.26 3a0r n ASN 630 Ca 0.31 0.00 -0.39 0.00 -0.60 0.00 0.00 54.58 53.90 3a0r n ASN 630 Cb 0.69 0.00 -0.11 0.00 -0.53 0.00 0.00 39.78 39.83 3a0r n ASN 630 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3a0r s ILE 631 N -0.04 4.95 -0.62 -1.44 1.01 -1.20 -4.45 121.20 119.41 3a0r s ILE 631 Ca 0.00 -0.21 -0.24 0.00 0.00 0.00 0.00 60.65 60.20 3a0r s ILE 631 Cb 0.00 -3.48 -0.20 0.00 0.01 0.00 0.00 42.46 38.79 3a0r s ILE 631 CO 0.00 0.10 1.86 0.47 0.00 0.00 0.00 174.94 177.37 3a0r n ASP 632 N 5.03 2.22 -4.74 3.58 8.00 -1.25 -4.92 116.55 124.48 3a0r n ASP 632 Ca -0.14 -2.64 -0.38 0.00 0.71 0.00 0.00 54.79 52.35 3a0r n ASP 632 Cb 0.50 -0.99 0.05 0.00 -0.02 0.00 0.00 41.12 40.66 3a0r n ASP 632 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3a0r s PHE 633 N 5.38 2.21 -0.20 1.24 5.36 -1.26 -3.97 117.98 126.74 3a0r s PHE 633 Ca 0.59 1.43 -0.06 0.00 -0.96 0.00 0.00 56.93 57.94 3a0r s PHE 633 Cb 0.15 -3.73 0.10 0.00 -0.34 0.00 0.00 43.02 39.19 3a0r s PHE 633 CO 0.16 -2.85 0.39 0.00 -1.46 0.00 0.00 175.22 171.47 3a0r s PHE 635 N 2.58 1.95 0.26 0.00 5.36 -1.26 -1.13 117.98 125.74 3a0r s PHE 635 Ca 0.01 -1.10 0.11 0.00 -0.96 0.00 0.00 56.93 54.99 3a0r s PHE 635 Cb -0.13 -1.47 -0.05 0.00 -0.34 0.00 0.00 43.02 41.04 3a0r s PHE 635 CO -0.13 -0.63 -0.14 -1.21 -1.46 0.00 0.00 175.22 171.65 3a0r s GLU 636 N 1.56 1.86 -0.21 10.12 2.02 -0.90 -5.00 118.70 128.14 3a0r s GLU 636 Ca 0.04 -1.62 -0.27 0.00 0.02 0.00 0.00 54.97 53.14 3a0r s GLU 636 Cb -0.13 -1.91 0.10 0.00 0.10 0.00 0.00 34.13 32.28 3a0r s GLU 636 CO -0.09 0.35 0.86 -0.08 0.02 0.00 0.00 175.26 176.32 3a0r s THR 637 N -2.32 0.00 -1.36 3.63 -1.32 -1.26 -3.21 115.64 109.80 3a0r s THR 637 Ca 0.29 0.00 0.28 0.00 -1.21 0.00 0.00 61.69 61.05 3a0r s THR 637 Cb -0.06 -1.00 0.30 0.00 -1.51 0.00 0.00 72.50 70.23 3a0r s THR 637 CO 0.16 0.00 1.77 -0.90 -2.21 0.00 0.00 174.62 173.44 3a0r n ASP 638 N 1.84 0.38 -3.80 8.08 5.75 -1.26 -4.82 116.55 122.72 3a0r n ASP 638 Ca -0.14 -0.26 -0.14 0.00 -0.01 0.00 0.00 54.79 54.24 3a0r n ASP 638 Cb 0.56 -0.10 -0.15 0.00 -1.03 0.00 0.00 41.12 40.40 3a0r n ASP 638 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 3a0r s ASN 639 N -2.71 0.04 -0.00 -1.12 2.47 -1.26 -5.02 114.94 107.34 3a0r s ASN 639 Ca 0.21 0.03 0.20 0.00 0.42 0.00 0.00 52.86 53.73 3a0r s ASN 639 Cb 0.19 -0.04 -0.22 0.00 -1.45 0.00 0.00 41.25 39.73 3a0r s ASN 639 CO 0.54 -0.09 0.84 -1.84 -3.72 0.00 0.00 177.10 172.83 3a0r n GLU 640 N 3.82 0.35 -3.70 0.43 0.28 -1.26 -4.68 120.64 115.87 3a0r n GLU 640 Ca -0.23 -0.01 -0.37 0.00 -0.16 0.00 0.00 57.16 56.40 3a0r n GLU 640 Cb 0.53 -1.45 -0.09 0.00 1.43 0.00 0.00 31.44 31.86 3a0r n GLU 640 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 3a0r s ASP 641 N -2.97 5.32 -0.18 -1.84 2.15 -1.26 -4.95 116.67 112.94 3a0r s ASP 641 Ca 0.07 -2.96 -0.03 0.00 0.43 0.00 0.00 52.55 50.06 3a0r s ASP 641 Cb 0.15 -1.86 0.06 0.00 -0.30 0.00 0.00 42.92 40.96 3a0r s ASP 641 CO 0.83 -0.35 0.03 -0.22 -0.17 0.00 0.00 175.17 175.29 3a0r s LEU 642 N -0.22 1.07 0.21 -1.34 2.96 -1.26 -5.09 118.68 115.01 3a0r s LEU 642 Ca 0.18 -0.72 0.07 0.00 -0.22 0.00 0.00 54.13 53.44 3a0r s LEU 642 Cb -0.19 -0.56 -0.04 0.00 0.50 0.00 0.00 46.19 45.90 3a0r s LEU 642 CO -0.04 -0.29 0.05 -0.13 -1.32 0.00 0.00 176.35 174.62 3a0r s ARG 643 N 1.89 2.54 -0.19 1.98 0.52 -1.26 0.23 118.95 124.65 3a0r s ARG 643 Ca -0.00 -1.14 -0.14 0.00 -0.52 0.00 0.00 55.73 53.92 3a0r s ARG 643 Cb -0.16 -2.39 0.06 0.00 0.52 0.00 0.00 34.95 32.97 3a0r s ARG 643 CO -0.08 0.43 0.49 0.14 0.02 0.00 0.00 175.30 176.30 3a0r s VAL 644 N -1.96 -0.01 -0.28 3.52 -7.23 -0.83 -4.85 120.40 108.76 3a0r s VAL 644 Ca 0.30 0.03 -0.28 0.00 -1.81 0.00 0.00 61.98 60.22 3a0r s VAL 644 Cb -0.08 -0.70 0.01 0.00 0.56 0.00 0.00 36.38 36.16 3a0r s VAL 644 CO 0.21 0.01 1.01 -1.61 -0.31 0.00 0.00 175.10 174.41 3a0r s GLU 645 N 0.81 4.12 -0.09 4.82 2.02 0.11 -3.08 118.70 127.41 3a0r s GLU 645 Ca -0.04 1.10 -0.32 0.00 0.02 0.00 0.00 54.97 55.72 3a0r s GLU 645 Cb -0.05 -3.70 0.14 0.00 0.10 0.00 0.00 34.13 30.62 3a0r s GLU 645 CO -0.06 -0.76 1.42 0.00 0.02 0.00 0.00 175.26 175.87 3a0r s ALA 646 N 3.37 -2.53 -1.04 5.21 0.00 -0.15 -4.42 121.76 122.20 3a0r s ALA 646 Ca 0.43 0.81 -0.22 0.00 0.00 0.00 0.00 51.96 52.98 3a0r s ALA 646 Cb -0.14 0.35 0.06 0.00 0.00 0.00 0.00 23.12 23.39 3a0r s ALA 646 CO 0.11 -1.08 1.46 0.34 0.00 0.00 0.00 175.76 176.59 3a0r s ASP 647 N -3.15 6.54 0.00 0.00 -1.08 -1.20 0.11 116.67 117.88 3a0r s ASP 647 Ca 0.18 -1.57 0.00 0.00 -0.52 0.00 0.00 52.55 50.64 3a0r s ASP 647 Cb 0.06 -2.56 0.00 0.00 -1.46 0.00 0.00 42.92 38.96 3a0r s ASP 647 CO -0.06 -1.46 0.89 -1.14 0.52 0.00 0.00 175.17 173.92 3a0r n ARG 648 N 8.72 0.00 -0.45 4.34 0.63 -1.26 0.42 116.66 129.06 3a0r n ARG 648 Ca 0.34 0.89 0.35 0.00 -0.92 0.00 0.00 57.85 58.50 3a0r n ARG 648 Cb 0.50 -1.34 0.55 0.00 0.45 0.00 0.00 32.46 32.63 3a0r n ARG 648 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 3a0r n THR 649 N -2.85 -0.05 -0.09 5.15 -1.04 -1.26 -1.27 114.28 112.86 3a0r n THR 649 Ca 0.00 1.12 -0.18 0.00 -2.04 0.00 0.00 64.05 62.94 3a0r n THR 649 Cb 0.00 -1.85 -0.06 0.00 -1.82 0.00 0.00 70.33 66.59 3a0r n THR 649 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3a0r n ARG 650 N -3.58 0.37 0.00 -2.82 1.74 0.61 -4.07 116.66 108.91 3a0r n ARG 650 Ca 0.31 0.16 0.00 0.00 -0.77 0.00 0.00 57.85 57.55 3a0r n ARG 650 Cb 1.33 -1.12 0.00 0.00 -1.02 0.00 0.00 32.46 31.66 3a0r n ARG 650 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 3a0r n ILE 651 N -3.78 1.45 0.39 0.55 5.41 0.17 -0.46 119.36 123.08 3a0r n ILE 651 Ca -0.34 0.42 -0.15 0.00 1.00 0.00 0.00 62.75 63.68 3a0r n ILE 651 Cb 0.73 -1.42 -0.07 0.00 -0.71 0.00 0.00 39.64 38.17 3a0r n ILE 651 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 3a0r h LYS 652 N 0.00 -0.96 -0.50 0.38 3.64 -1.33 -3.15 116.57 114.65 3a0r h LYS 652 Ca 0.00 0.07 0.08 0.00 -1.27 0.00 0.00 60.65 59.52 3a0r h LYS 652 Cb 0.12 0.22 -0.10 0.00 -0.41 0.00 0.00 32.23 32.06 3a0r h LYS 652 CO 0.00 -0.64 -0.43 1.96 -2.27 0.00 0.00 179.45 178.07 3a0r h GLN 653 N -1.12 -0.26 -0.63 1.90 4.20 -0.91 -1.20 115.11 117.09 3a0r h GLN 653 Ca -0.10 0.02 0.10 0.00 0.06 0.00 0.00 58.65 58.73 3a0r h GLN 653 Cb 0.77 0.06 -0.10 0.00 0.30 0.00 0.00 27.48 28.50 3a0r h GLN 653 CO 0.17 -0.18 -0.23 0.28 -0.67 0.00 0.00 178.83 178.20 3a0r n VAL 654 N -5.41 -0.32 0.00 -0.54 0.31 -1.17 -0.68 118.33 110.52 3a0r n VAL 654 Ca 0.01 1.48 0.00 0.00 -0.01 0.00 0.00 64.34 65.81 3a0r n VAL 654 Cb 0.35 -1.96 0.00 0.00 -0.91 0.00 0.00 33.84 31.32 3a0r n VAL 654 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3a0r n LEU 655 N -4.94 0.12 0.00 7.52 4.77 -0.50 -1.48 117.00 122.49 3a0r n LEU 655 Ca 0.07 0.79 0.00 0.00 -0.03 0.00 0.00 56.01 56.84 3a0r n LEU 655 Cb 0.26 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 3a0r n LEU 655 CO -0.08 -0.37 0.00 -0.38 -1.33 0.00 0.00 177.39 175.22 3a0r n ILE 656 N -1.61 0.00 -2.88 -0.08 5.41 0.15 0.12 119.36 120.46 3a0r n ILE 656 Ca 0.00 0.00 -0.33 0.00 1.00 0.00 0.00 62.75 63.42 3a0r n ILE 656 Cb 0.00 0.00 -0.02 0.00 -0.71 0.00 0.00 39.64 38.91 3a0r n ILE 656 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 3a0r n ASN 657 N -1.27 5.64 -0.00 4.38 2.85 -0.16 0.11 115.26 126.80 3a0r n ASN 657 Ca 0.00 -3.64 -0.04 0.00 -0.11 0.00 0.00 54.58 50.79 3a0r n ASN 657 Cb 0.00 -0.85 -0.01 0.00 1.24 0.00 0.00 39.78 40.15 3a0r n ASN 657 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 3a0r n LEU 658 N 0.06 1.11 -0.36 1.20 4.77 0.33 -4.81 117.00 119.31 3a0r n LEU 658 Ca 0.36 0.16 -0.04 0.00 -0.03 0.00 0.00 56.01 56.46 3a0r n LEU 658 Cb 0.34 -0.38 -0.01 0.00 -2.33 0.00 0.00 43.42 41.04 3a0r n LEU 658 CO 0.45 -0.39 0.50 0.52 -1.33 0.00 0.00 177.39 177.13 3a0r n VAL 659 N -3.64 -0.53 -0.37 4.08 0.31 -0.87 -0.43 118.33 116.87 3a0r n VAL 659 Ca -0.07 2.16 -0.04 0.00 -0.01 0.00 0.00 64.34 66.38 3a0r n VAL 659 Cb 0.28 -2.79 0.00 0.00 -0.91 0.00 0.00 33.84 30.43 3a0r n VAL 659 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 3a0r h GLN 660 N 0.00 -0.02 0.28 5.55 5.75 0.53 0.14 115.11 127.34 3a0r h GLN 660 Ca 0.26 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.74 3a0r h GLN 660 Cb 0.48 0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.04 3a0r h GLN 660 CO -0.89 -0.01 -0.13 -0.91 -2.65 0.00 0.00 178.83 174.23 3a0r h ASN 661 N -0.02 -0.32 0.00 -0.69 2.35 -1.01 -2.21 115.58 113.67 3a0r h ASN 661 Ca 0.29 -0.18 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 3a0r h ASN 661 Cb 0.55 0.08 0.00 0.00 0.05 0.00 0.00 38.32 39.00 3a0r h ASN 661 CO -0.95 0.03 0.00 0.00 -1.65 0.00 0.00 177.43 174.86 3a0r n ALA 662 N -2.44 1.71 -0.04 -0.83 0.00 -0.58 -0.87 120.51 117.48 3a0r n ALA 662 Ca -0.09 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.34 3a0r n ALA 662 Cb 0.25 -1.00 -0.00 0.00 0.00 0.00 0.00 19.45 18.70 3a0r n ALA 662 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3a0r h ILE 663 N 0.00 0.00 0.05 0.00 2.04 -0.08 -3.39 117.51 116.14 3a0r h ILE 663 Ca 0.00 -0.62 -0.28 0.00 1.00 0.00 0.00 64.86 64.97 3a0r h ILE 663 Cb 0.04 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.09 3a0r h ILE 663 CO 0.00 0.00 -1.44 -0.33 0.00 0.00 0.00 178.15 176.38 3a0r h GLU 664 N -0.62 0.11 -0.88 2.37 3.07 -1.65 -0.77 114.58 116.22 3a0r h GLU 664 Ca 0.00 -0.19 0.25 0.00 -0.50 0.00 0.00 59.36 58.92 3a0r h GLU 664 Cb 0.11 0.07 -0.04 0.00 -0.84 0.00 0.00 28.75 28.06 3a0r h GLU 664 CO 0.00 0.91 1.02 0.00 -1.40 0.00 0.00 179.01 179.55 3a0r h ALA 665 N 0.76 2.75 0.00 3.43 0.00 -1.25 0.49 119.26 125.44 3a0r h ALA 665 Ca -0.19 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 3a0r h ALA 665 Cb 1.95 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.80 3a0r h ALA 665 CO 0.13 -1.48 -1.05 -2.37 0.00 0.00 0.00 179.25 174.48 3a0r n THR 666 N -3.35 0.01 -1.03 0.00 5.66 -1.25 -4.64 114.28 109.68 3a0r n THR 666 Ca 0.19 -0.03 0.00 0.00 -3.05 0.00 0.00 64.05 61.16 3a0r n THR 666 Cb 1.30 0.28 0.00 0.00 -1.55 0.00 0.00 70.33 70.36 3a0r n THR 666 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3a0r n GLY 667 N 2.51 2.44 3.73 1.09 0.00 0.17 -3.73 105.19 111.39 3a0r n GLY 667 Ca -0.00 -0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 3a0r n GLY 667 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3a0r s GLU 668 N 0.00 4.17 -1.31 1.61 2.56 -1.26 -1.23 118.70 123.24 3a0r s GLU 668 Ca 0.00 2.47 -0.14 0.00 0.00 0.00 0.00 54.97 57.30 3a0r s GLU 668 Cb 0.00 -3.10 0.13 0.00 2.00 0.00 0.00 34.13 33.16 3a0r s GLU 668 CO 0.00 -0.64 0.47 0.09 -0.56 0.00 0.00 175.26 174.62 3a0r n ASN 669 N 3.52 -2.42 -4.93 -1.70 5.03 -1.25 -4.95 115.26 108.56 3a0r n ASN 669 Ca 0.13 -0.62 -0.21 0.00 0.87 0.00 0.00 54.58 54.75 3a0r n ASN 669 Cb 0.37 -2.07 -0.02 0.00 -1.02 0.00 0.00 39.78 37.04 3a0r n ASN 669 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 3a0r s GLY 670 N -2.85 1.34 0.08 7.41 0.00 -0.37 -4.93 107.32 108.01 3a0r s GLY 670 Ca 0.53 -1.33 0.10 0.00 0.00 0.00 0.00 44.72 44.02 3a0r s GLY 670 CO 0.65 -1.34 -0.26 0.54 0.00 0.00 0.00 173.10 172.69 3a0r s LYS 671 N -3.97 1.58 -0.08 2.90 1.02 -1.26 -3.85 119.74 116.09 3a0r s LYS 671 Ca 0.36 -1.20 -0.03 0.00 0.02 0.00 0.00 55.97 55.12 3a0r s LYS 671 Cb -0.09 -1.89 0.04 0.00 -0.52 0.00 0.00 37.83 35.37 3a0r s LYS 671 CO 0.28 0.47 0.06 0.42 -0.92 0.00 0.00 175.35 175.66 3a0r s ILE 672 N -0.92 -0.02 -0.24 2.17 1.01 -1.25 -3.46 121.20 118.48 3a0r s ILE 672 Ca 0.12 0.23 -0.03 0.00 0.00 0.00 0.00 60.65 60.98 3a0r s ILE 672 Cb -0.10 -0.32 0.01 0.00 0.01 0.00 0.00 42.46 42.07 3a0r s ILE 672 CO 0.04 0.08 -0.04 -0.75 0.00 0.00 0.00 174.94 174.27 3a0r s LYS 673 N 2.13 3.03 -0.06 2.79 2.20 0.23 -1.82 119.74 128.24 3a0r s LYS 673 Ca 0.04 -0.86 -0.07 0.00 -0.36 0.00 0.00 55.97 54.73 3a0r s LYS 673 Cb -0.13 -3.03 -0.04 0.00 -1.51 0.00 0.00 37.83 33.12 3a0r s LYS 673 CO -0.05 -0.34 0.20 0.42 -0.36 0.00 0.00 175.35 175.22 3a0r s ILE 674 N 1.39 5.41 -0.08 5.43 1.01 -0.28 -0.70 121.20 133.38 3a0r s ILE 674 Ca 0.02 0.18 -0.03 0.00 0.00 0.00 0.00 60.65 60.82 3a0r s ILE 674 Cb -0.16 -3.49 0.05 0.00 0.01 0.00 0.00 42.46 38.86 3a0r s ILE 674 CO -0.04 0.50 0.15 0.42 0.00 0.00 0.00 174.94 175.98 3a0r s THR 675 N -1.15 -0.24 -0.31 2.92 -4.23 -0.24 -2.13 115.64 110.27 3a0r s THR 675 Ca 0.21 0.35 0.02 0.00 -1.18 0.00 0.00 61.69 61.09 3a0r s THR 675 Cb -0.13 -0.28 0.08 0.00 1.34 0.00 0.00 72.50 73.51 3a0r s THR 675 CO 0.10 0.15 -0.01 -0.94 -0.54 0.00 0.00 174.62 173.38 3a0r s SER 676 N 2.21 4.68 -0.24 3.99 1.04 -1.20 -0.89 113.70 123.29 3a0r s SER 676 Ca 0.02 -1.73 -0.03 0.00 0.48 0.00 0.00 55.95 54.69 3a0r s SER 676 Cb -0.12 -1.62 0.01 0.00 0.10 0.00 0.00 66.02 64.39 3a0r s SER 676 CO -0.06 -0.30 -0.03 -1.61 0.98 0.00 0.00 173.24 172.23 3a0r s GLU 677 N 1.04 3.10 0.14 4.02 2.02 -0.79 -4.04 118.70 124.20 3a0r s GLU 677 Ca 0.00 -0.81 -0.31 0.00 0.02 0.00 0.00 54.97 53.88 3a0r s GLU 677 Cb -0.20 -3.06 -0.08 0.00 0.10 0.00 0.00 34.13 30.89 3a0r s GLU 677 CO -0.06 -0.32 1.37 0.34 0.02 0.00 0.00 175.26 176.61 3a0r s ASP 678 N 1.42 6.83 -0.04 -0.19 2.15 -1.26 -2.61 116.67 122.97 3a0r s ASP 678 Ca 0.03 2.37 0.02 0.00 0.43 0.00 0.00 52.55 55.40 3a0r s ASP 678 Cb -0.16 -2.59 0.01 0.00 -0.30 0.00 0.00 42.92 39.88 3a0r s ASP 678 CO -0.03 -0.63 -0.09 -0.04 -0.17 0.00 0.00 175.17 174.21 3a0r s MET 679 N 0.71 1.14 0.00 4.34 -1.94 -0.26 -5.01 119.30 118.27 3a0r s MET 679 Ca 0.62 -0.30 0.00 0.00 -1.71 0.00 0.00 55.69 54.31 3a0r s MET 679 Cb -0.37 -1.03 0.00 0.00 2.01 0.00 0.00 34.83 35.44 3a0r s MET 679 CO 0.33 0.05 0.00 0.98 -0.01 0.00 0.00 175.02 176.37 3a0r n TYR 680 N 3.57 0.00 0.02 -0.03 9.36 -1.26 0.36 117.16 129.19 3a0r n TYR 680 Ca -0.21 0.00 0.02 0.00 3.32 0.00 0.00 57.90 61.03 3a0r n TYR 680 Cb 0.53 -0.33 -0.03 0.00 -0.63 0.00 0.00 39.34 38.88 3a0r n TYR 680 CO 0.00 0.00 0.00 0.25 0.22 0.00 0.00 176.86 177.33 3a0r n THR 681 N -2.66 0.00 -4.10 2.97 -2.24 -1.26 -5.04 114.28 101.95 3a0r n THR 681 Ca 0.00 -0.12 -0.08 0.00 -2.27 0.00 0.00 64.05 61.58 3a0r n THR 681 Cb 0.00 0.50 -0.10 0.00 -2.10 0.00 0.00 70.33 68.63 3a0r n THR 681 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 3a0r s LYS 682 N -2.11 0.64 0.18 -0.78 -2.85 0.16 -2.37 119.74 112.61 3a0r s LYS 682 Ca -0.01 -1.22 0.08 0.00 -1.00 0.00 0.00 55.97 53.83 3a0r s LYS 682 Cb 0.02 0.12 -0.04 0.00 -2.06 0.00 0.00 37.83 35.87 3a0r s LYS 682 CO 0.14 -0.09 -0.07 0.14 0.10 0.00 0.00 175.35 175.57 3a0r s VAL 683 N -3.76 3.34 -0.25 1.79 -7.23 -1.21 -1.11 120.40 111.97 3a0r s VAL 683 Ca 0.07 -1.59 -0.01 0.00 -1.81 0.00 0.00 61.98 58.64 3a0r s VAL 683 Cb 0.07 -2.66 0.08 0.00 0.56 0.00 0.00 36.38 34.42 3a0r s VAL 683 CO -0.09 -0.11 0.03 -0.60 -0.31 0.00 0.00 175.10 174.03 3a0r s ARG 684 N -2.87 0.97 -0.17 4.82 3.52 -1.07 -3.27 118.95 120.88 3a0r s ARG 684 Ca 0.26 -0.87 -0.07 0.00 -0.13 0.00 0.00 55.73 54.91 3a0r s ARG 684 Cb -0.09 -2.25 -0.04 0.00 -1.56 0.00 0.00 34.95 31.01 3a0r s ARG 684 CO 0.16 -0.77 0.05 0.08 -0.81 0.00 0.00 175.30 174.01 3a0r s VAL 685 N 1.60 4.66 -0.04 7.11 1.01 -0.98 -1.88 120.40 131.88 3a0r s VAL 685 Ca 0.02 -0.08 0.02 0.00 0.00 0.00 0.00 61.98 61.94 3a0r s VAL 685 Cb -0.18 -3.09 0.01 0.00 0.00 0.00 0.00 36.38 33.12 3a0r s VAL 685 CO -0.14 0.47 -0.09 -0.44 0.00 0.00 0.00 175.10 174.90 3a0r s SER 686 N 0.30 1.33 -0.41 3.32 0.01 -0.07 -1.73 113.70 116.46 3a0r s SER 686 Ca 0.02 -0.21 0.01 0.00 1.31 0.00 0.00 55.95 57.08 3a0r s SER 686 Cb -0.13 -0.45 0.11 0.00 0.21 0.00 0.00 66.02 65.76 3a0r s SER 686 CO 0.01 0.05 0.16 -0.69 0.41 0.00 0.00 173.24 173.18 3a0r s VAL 687 N 0.38 2.79 -0.11 3.43 1.01 -0.99 -1.08 120.40 125.84 3a0r s VAL 687 Ca -0.07 -2.42 -0.19 0.00 0.00 0.00 0.00 61.98 59.30 3a0r s VAL 687 Cb -0.11 -2.96 -0.04 0.00 0.00 0.00 0.00 36.38 33.26 3a0r s VAL 687 CO 0.01 -0.68 0.51 0.86 0.00 0.00 0.00 175.10 175.81 3a0r s TRP 688 N 0.75 3.52 0.41 5.22 -0.00 0.13 -1.60 118.94 127.37 3a0r s TRP 688 Ca 0.11 0.95 0.05 0.00 -0.00 0.00 0.00 56.10 57.21 3a0r s TRP 688 Cb -0.21 -2.59 -0.06 0.00 -0.00 0.00 0.00 33.47 30.61 3a0r s TRP 688 CO -0.05 0.15 0.03 0.54 -0.00 0.00 0.00 176.95 177.63 3a0r s ASN 689 N 0.65 3.41 0.38 5.86 4.22 -0.06 0.76 114.94 130.16 3a0r s ASN 689 Ca 0.28 -1.46 0.08 0.00 -2.14 0.00 0.00 52.86 49.61 3a0r s ASN 689 Cb -0.16 -0.03 -0.03 0.00 1.28 0.00 0.00 41.25 42.32 3a0r s ASN 689 CO 0.12 -0.63 0.30 -0.94 -2.04 0.00 0.00 177.10 173.91 3a0r s SER 690 N -3.67 5.04 0.00 3.54 1.04 -1.22 -1.34 113.70 117.08 3a0r s SER 690 Ca 0.28 -0.68 0.00 0.00 0.48 0.00 0.00 55.95 56.03 3a0r s SER 690 Cb 0.07 -0.73 0.00 0.00 0.10 0.00 0.00 66.02 65.46 3a0r s SER 690 CO 0.14 -0.49 0.00 0.61 0.98 0.00 0.00 173.24 174.48 3a0r n GLY 691 N -1.41 1.44 3.40 7.32 0.00 0.02 -4.33 105.19 111.64 3a0r n GLY 691 Ca 0.00 -0.94 -0.44 0.00 0.00 0.00 0.00 46.02 44.64 3a0r n GLY 691 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3a0r s PRO 692 N 0.00 2.99 0.35 1.61 0.04 -1.26 -4.47 135.00 134.26 3a0r s PRO 692 Ca 0.00 -1.25 -0.06 0.00 0.04 0.00 0.00 61.00 59.73 3a0r s PRO 692 Cb 0.00 -4.11 0.09 0.00 0.04 0.00 0.00 34.50 30.52 3a0r s PRO 692 CO 0.00 -1.01 0.27 -0.35 0.04 0.00 0.00 177.00 175.95 3a0r n PRO 693 N 5.30 -2.01 -4.26 0.56 -0.04 -1.26 -4.76 135.00 128.52 3a0r n PRO 693 Ca -0.12 -0.44 -0.17 0.00 -0.04 0.00 0.00 63.50 62.73 3a0r n PRO 693 Cb 0.44 -0.46 -0.14 0.00 -0.04 0.00 0.00 33.50 33.29 3a0r n PRO 693 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3a0r s ILE 694 N -1.45 0.57 0.85 0.52 -4.36 -1.26 -5.03 121.20 111.05 3a0r s ILE 694 Ca 0.19 -0.34 -0.14 0.00 -0.26 0.00 0.00 60.65 60.09 3a0r s ILE 694 Cb -0.02 -0.49 0.21 0.00 1.25 0.00 0.00 42.46 43.40 3a0r s ILE 694 CO 0.15 0.14 0.87 -0.81 0.24 0.00 0.00 174.94 175.53 3a0r n PRO 695 N 2.85 -2.04 -0.26 0.37 -0.04 -1.26 -4.70 135.00 129.92 3a0r n PRO 695 Ca -0.13 -1.38 0.15 0.00 -0.04 0.00 0.00 63.50 62.10 3a0r n PRO 695 Cb 0.57 -1.15 0.44 0.00 -0.04 0.00 0.00 33.50 33.32 3a0r n PRO 695 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 3a0r h GLU 696 N 0.00 0.54 -0.29 0.54 4.57 -2.02 -2.73 114.58 115.20 3a0r h GLU 696 Ca -0.31 -0.03 -0.16 0.00 -1.18 0.00 0.00 59.36 57.68 3a0r h GLU 696 Cb 0.92 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.38 3a0r h GLU 696 CO 0.21 0.36 -0.46 1.49 -1.18 0.00 0.00 179.01 179.43 3a0r h GLU 697 N 0.56 0.76 -0.29 1.92 4.81 -2.04 -3.12 114.58 117.19 3a0r h GLU 697 Ca 0.47 -0.43 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 3a0r h GLU 697 Cb 0.95 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.37 3a0r h GLU 697 CO -0.21 1.06 0.00 1.28 -0.73 0.00 0.00 179.01 180.40 3a0r n LEU 698 N -4.02 1.60 -0.29 1.64 4.77 -1.03 -3.49 117.00 116.19 3a0r n LEU 698 Ca -0.03 -0.79 0.08 0.00 -0.03 0.00 0.00 56.01 55.25 3a0r n LEU 698 Cb 0.57 -0.19 0.31 0.00 -2.33 0.00 0.00 43.42 41.78 3a0r n LEU 698 CO 0.48 0.39 1.23 0.11 -1.33 0.00 0.00 177.39 178.27 3a0r h LYS 699 N 1.80 0.82 0.00 3.23 1.57 -1.56 -3.27 116.57 119.16 3a0r h LYS 699 Ca 0.00 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.66 3a0r h LYS 699 Cb 0.41 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 3a0r h LYS 699 CO 0.00 0.55 -1.26 0.39 -0.57 0.00 0.00 179.45 178.55 3a0r n GLU 700 N -4.55 2.93 0.00 3.15 -0.58 -1.26 -4.60 120.64 115.73 3a0r n GLU 700 Ca 0.16 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.90 3a0r n GLU 700 Cb 0.35 -1.10 0.00 0.00 -0.57 0.00 0.00 31.44 30.12 3a0r n GLU 700 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3a0r n LYS 701 N -2.21 0.59 -0.00 3.49 4.76 -1.23 0.12 118.16 123.67 3a0r n LYS 701 Ca -0.07 0.00 0.07 0.00 -2.87 0.00 0.00 58.31 55.44 3a0r n LYS 701 Cb 0.62 -1.04 -0.08 0.00 -1.84 0.00 0.00 35.03 32.69 3a0r n LYS 701 CO 0.00 0.00 0.00 0.44 -1.37 0.00 0.00 177.40 176.47 3a0r n ILE 702 N -0.40 0.00 0.29 -0.18 -5.35 -1.25 -4.68 119.36 107.79 3a0r n ILE 702 Ca 0.00 -0.18 -0.17 0.00 -0.27 0.00 0.00 62.75 62.14 3a0r n ILE 702 Cb 0.02 0.94 -0.08 0.00 -1.74 0.00 0.00 39.64 38.78 3a0r n ILE 702 CO 0.00 0.00 0.00 -0.26 -1.76 0.00 0.00 176.55 174.53 3a0r h PHE 703 N 0.00 -0.67 -3.90 4.28 0.04 -0.64 -3.41 116.94 112.63 3a0r h PHE 703 Ca 0.00 -0.01 -0.56 0.00 2.80 0.00 0.00 57.97 60.20 3a0r h PHE 703 Cb 0.36 0.23 0.17 0.00 2.20 0.00 0.00 35.95 38.91 3a0r h PHE 703 CO 0.00 -0.41 0.25 0.43 -0.60 0.00 0.00 178.31 177.98 3a0r n SER 704 N -5.40 1.03 -0.12 2.17 7.64 -1.26 -3.19 113.62 114.49 3a0r n SER 704 Ca -0.12 0.72 0.06 0.00 1.01 0.00 0.00 58.87 60.54 3a0r n SER 704 Cb 0.30 -1.46 0.12 0.00 -1.01 0.00 0.00 64.21 62.16 3a0r n SER 704 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 3a0r n PRO 705 N -1.97 -0.03 0.00 1.43 -0.02 -1.26 -4.70 135.00 128.45 3a0r n PRO 705 Ca 0.14 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 3a0r n PRO 705 Cb 0.49 -0.81 0.00 0.00 -0.02 0.00 0.00 33.50 33.16 3a0r n PRO 705 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3a0r n PHE 706 N -4.17 0.00 -4.04 6.00 3.01 -1.26 -4.39 117.46 112.61 3a0r n PHE 706 Ca 0.09 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.28 3a0r n PHE 706 Cb 0.30 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.76 3a0r n PHE 706 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 3a0r n PHE 707 N 0.00 -0.28 -3.61 1.38 3.72 -1.26 -4.15 117.46 113.25 3a0r n PHE 707 Ca 0.00 -2.34 0.00 0.00 -0.05 0.00 0.00 57.45 55.06 3a0r n PHE 707 Cb 0.00 -0.42 0.00 0.00 -0.94 0.00 0.00 39.48 38.12 3a0r n PHE 707 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 176.76 174.34 3a0r n THR 708 N -1.68 0.00 -0.73 4.37 5.66 -1.26 -4.78 114.28 115.85 3a0r n THR 708 Ca -0.05 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.76 3a0r n THR 708 Cb 0.62 -0.08 0.13 0.00 -1.55 0.00 0.00 70.33 69.46 3a0r n THR 708 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 3a0r n THR 709 N -0.05 2.73 0.00 1.09 -2.24 -1.26 -5.13 114.28 109.42 3a0r n THR 709 Ca 0.00 -1.54 0.00 0.00 -2.27 0.00 0.00 64.05 60.24 3a0r n THR 709 Cb 0.00 -0.66 0.00 0.00 -2.10 0.00 0.00 70.33 67.57 3a0r n THR 709 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3a0r n LEU 716 N -0.71 0.00 0.00 3.22 -0.00 -1.26 -5.17 117.00 113.09 3a0r n LEU 716 Ca 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.47 3a0r n LEU 716 Cb 1.32 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.74 3a0r n LEU 716 CO 0.48 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.48 3a0r n GLY 717 N 0.00 0.05 0.05 1.47 0.00 -1.26 -4.81 105.19 100.69 3a0r n GLY 717 Ca 0.00 -0.32 -0.02 0.00 0.00 0.00 0.00 46.02 45.68 3a0r n GLY 717 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3a0r h LEU 718 N 0.00 -0.09 0.00 0.99 5.85 -1.78 -3.44 115.31 116.83 3a0r h LEU 718 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3a0r h LEU 718 Cb 0.00 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.05 3a0r h LEU 718 CO 0.00 -0.01 0.00 -1.20 -0.34 0.00 0.00 178.44 176.89 3a0r n SER 719 N -2.59 0.00 -0.23 1.25 7.64 -1.19 -1.31 113.62 117.19 3a0r n SER 719 Ca -0.01 0.00 0.13 0.00 1.01 0.00 0.00 58.87 60.00 3a0r n SER 719 Cb 0.04 0.00 0.25 0.00 -1.01 0.00 0.00 64.21 63.49 3a0r n SER 719 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 3a0r n ILE 720 N 0.00 -0.29 0.29 0.44 -0.00 -1.26 0.20 119.36 118.75 3a0r n ILE 720 Ca 0.00 1.47 0.17 0.00 -0.00 0.00 0.00 62.75 64.39 3a0r n ILE 720 Cb 0.00 -2.21 0.90 0.00 -0.00 0.00 0.00 39.64 38.34 3a0r n ILE 720 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3a0r n ARG 722 N -3.44 0.00 0.32 0.00 0.63 0.55 -3.74 116.66 110.98 3a0r n ARG 722 Ca -0.02 0.35 0.21 0.00 -0.92 0.00 0.00 57.85 57.47 3a0r n ARG 722 Cb 0.17 -1.31 1.05 0.00 0.45 0.00 0.00 32.46 32.82 3a0r n ARG 722 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 3a0r h LYS 723 N 0.00 0.00 0.00 -0.14 1.79 -1.35 0.30 116.57 117.16 3a0r h LYS 723 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3a0r h LYS 723 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 3a0r h LYS 723 CO 0.00 0.01 0.00 -0.89 -1.08 0.00 0.00 179.45 177.49 3a0r n ILE 724 N -3.17 0.00 0.21 1.86 2.08 0.11 0.19 119.36 120.64 3a0r n ILE 724 Ca -0.02 1.27 -0.13 0.00 0.56 0.00 0.00 62.75 64.43 3a0r n ILE 724 Cb 0.14 -2.24 -0.07 0.00 -0.75 0.00 0.00 39.64 36.72 3a0r n ILE 724 CO 0.00 0.00 0.00 0.40 0.56 0.00 0.00 176.55 177.51 3a0r h ILE 725 N 0.00 0.00 -0.25 1.39 1.08 -1.61 -2.37 117.51 115.74 3a0r h ILE 725 Ca 0.00 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.52 3a0r h ILE 725 Cb 0.00 0.00 -0.05 0.00 -3.07 0.00 0.00 36.82 33.70 3a0r h ILE 725 CO 0.00 0.00 -0.10 -0.33 -0.69 0.00 0.00 178.15 177.03 3a0r h GLU 726 N -0.70 -0.05 0.00 2.37 5.08 -0.50 0.28 114.58 121.07 3a0r h GLU 726 Ca -0.05 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.04 3a0r h GLU 726 Cb 0.60 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.81 3a0r h GLU 726 CO -0.04 -0.03 -2.03 -0.25 -1.00 0.00 0.00 179.01 175.66 3a0r n ASP 727 N -5.26 1.59 0.03 1.42 8.00 0.58 -3.58 116.55 119.33 3a0r n ASP 727 Ca -0.01 -0.02 -0.01 0.00 0.71 0.00 0.00 54.79 55.46 3a0r n ASP 727 Cb 0.18 0.63 -0.01 0.00 -0.02 0.00 0.00 41.12 41.90 3a0r n ASP 727 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 3a0r h GLU 728 N 0.00 -0.08 0.11 -1.24 5.08 0.25 -3.38 114.58 115.32 3a0r h GLU 728 Ca -0.41 0.01 -0.29 0.00 -1.00 0.00 0.00 59.36 57.67 3a0r h GLU 728 Cb 1.86 0.02 0.02 0.00 0.50 0.00 0.00 28.75 31.16 3a0r h GLU 728 CO 0.00 -0.06 -1.22 0.45 -1.00 0.00 0.00 179.01 177.19 3a0r h HIS 729 N -0.21 0.92 0.00 4.33 3.86 -1.42 -3.51 115.15 119.12 3a0r h HIS 729 Ca -0.01 -0.58 0.00 0.00 -1.16 0.00 0.00 60.37 58.62 3a0r h HIS 729 Cb 0.07 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 28.46 3a0r h HIS 729 CO 0.06 1.42 0.00 0.41 0.86 0.00 0.00 177.93 180.69 3a0r n GLY 730 N 1.35 0.78 4.08 2.45 0.00 0.99 -4.95 105.19 109.90 3a0r n GLY 730 Ca -0.12 -2.22 0.00 0.00 0.00 0.00 0.00 46.02 43.68 3a0r n GLY 730 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a0r n GLY 731 N -0.45 -0.20 3.09 -0.02 0.00 -1.25 -3.94 105.19 102.41 3a0r n GLY 731 Ca 0.00 -1.40 -0.08 0.00 0.00 0.00 0.00 46.02 44.54 3a0r n GLY 731 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3a0r s LYS 732 N 0.00 0.59 -0.00 1.61 0.00 -1.20 -4.30 119.74 116.43 3a0r s LYS 732 Ca 0.00 -1.03 0.20 0.00 0.00 0.00 0.00 55.97 55.14 3a0r s LYS 732 Cb 0.00 0.21 0.34 0.00 0.00 0.00 0.00 37.83 38.38 3a0r s LYS 732 CO 0.00 -0.12 1.13 1.51 0.00 0.00 0.00 175.35 177.87 3a0r n ILE 733 N 0.42 0.05 -0.76 3.79 3.06 -1.25 -1.64 119.36 123.03 3a0r n ILE 733 Ca -0.16 -0.83 -0.21 0.00 -2.50 0.00 0.00 62.75 59.04 3a0r n ILE 733 Cb 0.60 0.87 0.18 0.00 0.54 0.00 0.00 39.64 41.83 3a0r n ILE 733 CO 0.00 0.00 0.00 -2.67 -2.50 0.00 0.00 176.55 171.38 3a0r n TRP 734 N 0.36 -3.57 -3.91 9.51 -0.00 -0.85 -4.48 117.44 114.49 3a0r n TRP 734 Ca 0.05 -0.68 -0.09 0.00 -0.00 0.00 0.00 57.50 56.77 3a0r n TRP 734 Cb 1.04 -0.82 -0.07 0.00 -0.00 0.00 0.00 31.31 31.46 3a0r n TRP 734 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 177.69 177.61 3a0r s THR 735 N -2.29 0.09 0.17 -1.67 -1.32 -1.26 -1.47 115.64 107.87 3a0r s THR 735 Ca 0.50 -1.28 -0.12 0.00 -1.21 0.00 0.00 61.69 59.58 3a0r s THR 735 Cb -0.06 -1.67 0.00 0.00 -1.51 0.00 0.00 72.50 69.26 3a0r s THR 735 CO 0.39 -0.39 0.35 -1.61 -2.21 0.00 0.00 174.62 171.15 3a0r s GLU 736 N -3.93 1.20 0.45 7.08 2.02 -1.21 -4.94 118.70 119.38 3a0r s GLU 736 Ca 0.13 -1.06 -0.13 0.00 0.02 0.00 0.00 54.97 53.93 3a0r s GLU 736 Cb 0.04 0.42 -0.07 0.00 0.10 0.00 0.00 34.13 34.62 3a0r s GLU 736 CO -0.03 -0.46 0.86 0.54 0.02 0.00 0.00 175.26 176.18 3a0r s ASN 737 N -2.93 6.55 0.00 -0.19 6.03 -1.26 -1.92 114.94 121.22 3a0r s ASN 737 Ca 0.14 1.31 0.00 0.00 -1.03 0.00 0.00 52.86 53.28 3a0r s ASN 737 Cb 0.02 -2.40 0.00 0.00 -3.03 0.00 0.00 41.25 35.84 3a0r s ASN 737 CO -0.02 -0.49 0.00 -2.11 -2.03 0.00 0.00 177.10 172.46 3a0r n ARG 738 N -1.45 0.00 -3.82 3.55 1.85 0.15 -4.91 116.66 112.03 3a0r n ARG 738 Ca 0.04 0.00 -0.27 0.00 -1.00 0.00 0.00 57.85 56.62 3a0r n ARG 738 Cb 0.54 0.00 0.04 0.00 -1.05 0.00 0.00 32.46 31.99 3a0r n ARG 738 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 3a0r n GLU 739 N -0.24 -5.82 -3.80 2.89 -0.58 -1.26 -1.06 120.64 110.77 3a0r n GLU 739 Ca 0.00 0.64 -0.31 0.00 -0.42 0.00 0.00 57.16 57.07 3a0r n GLU 739 Cb 0.00 -5.50 0.02 0.00 -0.57 0.00 0.00 31.44 25.39 3a0r n GLU 739 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3a0r n ASN 740 N -2.91 -3.67 0.00 1.62 4.13 -1.26 -4.84 115.26 108.34 3a0r n ASN 740 Ca -0.03 -1.04 0.00 0.00 1.68 0.00 0.00 54.58 55.19 3a0r n ASN 740 Cb 0.56 -3.14 0.00 0.00 -1.54 0.00 0.00 39.78 35.66 3a0r n ASN 740 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3a0r n GLY 741 N -1.81 -1.13 3.19 7.41 0.00 -0.22 -0.80 105.19 111.83 3a0r n GLY 741 Ca -0.16 -0.99 -0.16 0.00 0.00 0.00 0.00 46.02 44.71 3a0r n GLY 741 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3a0r s VAL 742 N -2.12 1.08 0.17 1.61 -7.23 -0.45 0.29 120.40 113.74 3a0r s VAL 742 Ca 0.00 -1.58 0.10 0.00 -1.81 0.00 0.00 61.98 58.69 3a0r s VAL 742 Cb 0.00 -1.33 -0.04 0.00 0.56 0.00 0.00 36.38 35.57 3a0r s VAL 742 CO 0.00 -0.45 -0.23 0.54 -0.31 0.00 0.00 175.10 174.65 3a0r s VAL 743 N -2.10 2.14 -0.36 1.32 0.11 -0.81 -0.88 120.40 119.82 3a0r s VAL 743 Ca 0.05 -1.91 0.03 0.00 -2.93 0.00 0.00 61.98 57.21 3a0r s VAL 743 Cb -0.05 -1.97 0.11 0.00 -1.53 0.00 0.00 36.38 32.93 3a0r s VAL 743 CO 0.01 -0.13 0.10 -0.36 -3.33 0.00 0.00 175.10 171.40 3a0r s PHE 744 N -1.61 3.08 -0.05 1.54 0.08 -0.63 -3.31 117.98 117.08 3a0r s PHE 744 Ca 0.17 -2.69 0.01 0.00 0.12 0.00 0.00 56.93 54.54 3a0r s PHE 744 Cb -0.08 -2.56 -0.03 0.00 -0.57 0.00 0.00 43.02 39.78 3a0r s PHE 744 CO 0.08 -0.89 -0.07 0.42 -0.10 0.00 0.00 175.22 174.65 3a0r s ILE 745 N 0.87 3.65 0.05 0.64 1.01 -0.55 -2.34 121.20 124.54 3a0r s ILE 745 Ca 0.12 -0.55 -0.01 0.00 0.00 0.00 0.00 60.65 60.21 3a0r s ILE 745 Cb -0.20 -2.51 -0.03 0.00 0.01 0.00 0.00 42.46 39.73 3a0r s ILE 745 CO -0.10 0.56 -0.01 0.72 0.00 0.00 0.00 174.94 176.11 3a0r s PHE 746 N -0.84 0.44 -0.08 3.97 -0.71 -0.70 -2.01 117.98 118.05 3a0r s PHE 746 Ca 0.13 -0.93 -0.03 0.00 -1.04 0.00 0.00 56.93 55.06 3a0r s PHE 746 Cb -0.11 -0.33 0.04 0.00 -1.21 0.00 0.00 43.02 41.41 3a0r s PHE 746 CO 0.02 -0.36 0.12 -1.21 -1.34 0.00 0.00 175.22 172.46 3a0r s GLU 747 N -3.45 -0.00 -0.07 1.99 2.02 -0.65 -2.32 118.70 116.21 3a0r s GLU 747 Ca 0.03 0.43 0.00 0.00 0.02 0.00 0.00 54.97 55.45 3a0r s GLU 747 Cb 0.04 -0.53 0.02 0.00 0.10 0.00 0.00 34.13 33.77 3a0r s GLU 747 CO -0.08 -0.36 -0.06 0.96 0.02 0.00 0.00 175.26 175.73 3a0r s ILE 748 N 2.23 0.79 0.63 -1.63 -4.36 -1.20 -3.22 121.20 114.45 3a0r s ILE 748 Ca 0.04 -0.21 -0.18 0.00 -0.26 0.00 0.00 60.65 60.04 3a0r s ILE 748 Cb -0.12 -0.81 -0.04 0.00 1.25 0.00 0.00 42.46 42.73 3a0r s ILE 748 CO -0.05 0.30 0.90 -2.65 0.24 0.00 0.00 174.94 173.68 3a0r n PRO 749 N 4.46 0.74 0.08 0.37 -0.02 -1.26 -3.34 135.00 136.03 3a0r n PRO 749 Ca -0.17 0.30 -0.12 0.00 -2.02 0.00 0.00 63.50 61.48 3a0r n PRO 749 Cb 0.51 -2.12 -0.05 0.00 -0.02 0.00 0.00 33.50 31.82 3a0r n PRO 749 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3a0r h LYS 750 N 0.26 -0.43 -4.74 -0.52 1.57 -1.79 -3.39 116.57 107.53 3a0r h LYS 750 Ca -0.48 0.03 -0.68 0.00 -1.87 0.00 0.00 60.65 57.65 3a0r h LYS 750 Cb 1.36 0.10 -0.25 0.00 0.08 0.00 0.00 32.23 33.52 3a0r h LYS 750 CO 0.49 -0.29 -0.58 0.95 -0.57 0.00 0.00 179.45 179.46 3a0r s THR 751 N -6.05 4.26 0.03 -0.16 -4.23 -1.26 0.07 115.64 108.30 3a0r s THR 751 Ca -0.15 -0.70 0.30 0.00 -1.18 0.00 0.00 61.69 59.96 3a0r s THR 751 Cb 0.09 -3.25 0.30 0.00 1.34 0.00 0.00 72.50 70.98 3a0r s THR 751 CO 0.65 -0.02 1.90 -0.65 -0.54 0.00 0.00 174.62 175.97 3a0r h PRO 752 N 8.31 0.00 0.00 3.99 0.11 -1.77 -2.15 132.00 140.49 3a0r h PRO 752 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 3a0r h PRO 752 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3a0r h PRO 752 CO 0.62 0.00 0.22 0.39 -0.21 0.00 0.00 178.00 179.02 3a0r n GLU 753 N -2.57 0.10 -3.04 1.05 1.02 -1.26 -3.44 120.64 112.51 3a0r n GLU 753 Ca -0.01 0.59 -0.44 0.00 -0.02 0.00 0.00 57.16 57.28 3a0r n GLU 753 Cb 0.10 -2.06 -0.04 0.00 -0.02 0.00 0.00 31.44 29.42 3a0r n GLU 753 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3a0r s LYS 754 N -3.39 3.21 0.00 3.49 1.02 -0.81 -5.27 119.74 117.99 3a0r s LYS 754 Ca -0.02 -1.38 0.00 0.00 0.02 0.00 0.00 55.97 54.59 3a0r s LYS 754 Cb 0.04 -4.39 0.00 0.00 -0.52 0.00 0.00 37.83 32.96 3a0r s LYS 754 CO 0.14 -1.63 0.00 -2.13 -0.92 0.00 0.00 175.35 170.81