NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *9 E 4.4380 8.4449 116.7535 55.7338 31.9582 174.2542 10 E 4.2613 8.5155 116.9555 57.2797 32.6404 172.3001 11 E 4.3731 8.2803 120.5713 54.7959 30.3229 174.8726 12 E 4.4646 8.3515 124.3807 53.7751 32.2128 174.7003 13 L 4.1273 8.6034 128.5661 54.7140 42.1721 175.8618 14 V 4.2616 8.0213 125.5857 60.6684 34.2012 174.4961 15 D 4.4493 8.7701 126.5028 53.5138 40.5280 174.7304 16 P 4.1892 0.0000 0.0000 65.7886 31.0294 177.3380 17 L 3.8937 8.5065 121.1306 58.3819 42.2148 178.9513 18 T 3.9341 8.0833 109.6265 64.7763 68.4090 176.4405 19 T 4.2765 7.7028 119.9919 65.9207 68.7244 176.4204 20 I 3.9992 7.7595 120.9789 63.4797 37.1001 178.4843 21 R 4.0362 8.1936 118.8734 59.4871 29.7076 177.8840 22 E 4.2980 8.1151 119.8860 57.6892 29.4940 178.5602 23 H 4.0203 8.3697 118.0692 59.8836 30.3494 176.7356 24 C 4.3411 8.4418 118.1349 59.9709 37.5619 175.6002 25 E 4.0342 8.2688 118.3180 58.3255 28.9246 178.4305 26 Q 4.2373 7.6964 117.6479 56.4295 30.2672 176.3669 27 T 3.8949 7.7597 116.8684 63.8651 69.3599 173.9541 28 E 3.8749 9.0806 125.6096 59.8579 29.5146 179.4817 29 K 4.0218 7.9647 117.6323 59.8851 31.8128 178.2369 30 C 4.1430 8.1386 116.1052 62.9385 28.0702 176.0454 31 V 3.7597 7.8223 119.3070 66.1812 31.0120 177.9462 32 K 3.8296 8.5322 118.2421 59.8332 31.8899 179.0287 33 A 4.1201 8.1379 120.5657 54.8282 18.4689 179.4408 34 R 3.5818 9.2832 118.1381 59.5489 30.0873 178.4185 35 E 3.8811 9.0181 119.6631 59.4427 29.5389 178.9802 36 R 3.9825 7.8083 117.7035 58.6019 29.9749 178.6756 37 L 4.0442 7.7726 120.1522 57.9897 42.4398 178.3580 38 E 3.8165 8.0285 118.5287 59.5761 29.4362 179.8872 39 L 3.9619 8.0048 118.7039 57.8003 41.6597 178.5521 40 C 4.1233 7.7834 118.2513 59.7528 42.1760 174.7749 41 D 4.3038 8.5834 119.6805 57.9613 40.7105 178.1481 42 A 3.9830 7.9024 120.6473 55.0438 18.1150 179.3772 43 R 3.8575 7.9695 114.2252 59.4853 29.5210 179.0320 44 V 3.7044 7.9979 118.6173 65.9484 31.4072 178.2700 45 S 4.1868 8.2788 114.2142 60.6465 62.8626 175.4353 46 S 4.9190 7.8812 116.2642 57.1777 64.3836 174.5801 47 R 4.5721 7.2783 120.9043 55.8483 33.4119 176.0521 48 S 4.3225 8.8466 119.7437 61.1077 63.2786 174.0710 49 H 4.8572 7.8258 118.5266 54.0342 29.5723 171.4611 50 T 4.6122 7.7157 115.8039 59.9023 70.7420 173.2381 51 E 4.4063 8.4527 123.3484 55.8497 30.3319 175.6784 52 E 4.1489 7.2829 119.0476 56.7222 30.2400 175.5672 53 Q 4.5789 7.9840 116.3996 55.5783 32.5670 175.1103 54 C 5.5764 8.2515 117.9126 56.7581 37.9930 176.3910 55 T 3.4500 7.6529 117.0333 66.8049 67.8458 175.2852 56 E 3.6904 7.8727 118.5220 59.6485 29.9944 178.7817 57 E 3.9411 8.1941 117.4275 59.6692 29.7384 179.4660 58 L 4.0121 7.8180 119.7635 58.2321 41.9304 178.7027 59 F 4.6724 8.4296 118.0428 61.1836 39.0273 177.1575 60 D 4.4544 8.5887 118.3446 58.0433 40.6738 179.0639 61 F 4.2452 8.2528 120.4572 61.0070 39.5205 176.9623 62 L 3.7548 9.0791 118.8468 58.3114 41.5137 179.0269 63 H 3.9904 9.3938 118.5663 59.2744 29.5821 177.0117 64 A 3.9919 7.6238 121.0209 55.9938 18.5842 178.6854 65 R 3.4360 8.1584 116.3955 59.6270 29.7127 177.7507 66 D 4.3390 8.3014 117.4076 57.9621 41.1809 178.5188 67 H 4.0487 8.0306 117.2758 59.6272 29.9322 175.8471 68 C 4.2009 8.1732 119.8546 59.8284 44.3400 175.4087 69 V 3.4611 7.8810 118.9941 66.3642 30.6599 177.5989 70 A 4.1412 8.2495 119.6071 55.4231 18.2569 178.8890 71 H 4.5100 8.3851 113.7843 57.4780 29.0323 176.7220 72 K 4.4423 7.4941 118.5440 58.3289 34.0491 178.3567 73 L 3.9128 7.9009 120.6967 58.1832 42.3890 179.0534 74 F 4.0309 8.4991 116.7597 59.8752 39.2339 177.4459 75 N 4.4737 8.9325 119.1509 56.1208 38.4002 176.6550 76 K 4.1271 7.7125 115.8105 58.2927 32.5039 177.5367 77 L 4.2286 7.0198 118.1873 54.0007 42.4134 176.8360 78 K 4.1418 8.2780 119.9705 56.6458 32.2676 175.7684 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ *9 E 8.44 4.44 0.00 1.73 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.40 0.00 10 E 8.52 4.26 0.00 1.94 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.45 0.00 11 E 8.28 4.37 0.00 1.93 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 12 E 8.35 4.46 0.00 1.86 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.26 0.00 13 L 8.60 4.13 0.00 1.62 1.58 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 14 V 8.02 4.26 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.93 0.00 0.00 15 D 8.77 4.45 0.00 2.73 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 P 0.00 4.19 0.00 2.25 2.28 0.00 3.72 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 17 L 8.51 3.89 0.00 1.76 1.90 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 18 T 8.08 3.93 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 19 T 7.70 4.28 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 20 I 7.76 4.00 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.95 0.92 0.00 0.00 21 R 8.19 4.04 0.00 1.79 2.04 0.00 3.18 0.00 0.00 3.26 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.82 0.00 22 E 8.12 4.30 0.00 2.43 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 23 H 8.37 4.02 0.00 3.21 3.48 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 C 8.44 4.34 0.00 3.10 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 E 8.27 4.03 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.68 0.00 26 Q 7.70 4.24 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.69 6.77 0.00 0.00 0.00 0.00 0.00 2.41 2.50 0.00 27 T 7.76 3.89 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 28 E 9.08 3.87 0.00 2.03 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 29 K 7.96 4.02 0.00 1.84 1.87 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.55 1.59 7.81 30 C 8.14 4.14 0.00 3.20 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 V 7.82 3.76 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.04 0.00 0.00 32 K 8.53 3.83 0.00 2.08 1.90 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.49 1.50 7.81 33 A 8.14 4.12 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 R 9.28 3.58 0.00 1.92 2.16 0.00 3.26 0.00 0.00 2.72 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 35 E 9.02 3.88 0.00 2.11 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 36 R 7.81 3.98 0.00 2.01 1.99 0.00 3.18 0.00 0.00 3.11 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 37 L 7.77 4.04 0.00 1.68 1.73 0.86 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.03 3.82 0.00 2.09 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.45 0.00 39 L 8.00 3.96 0.00 1.68 1.69 0.91 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 40 C 7.78 4.12 0.00 3.06 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.58 4.30 0.00 2.79 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 7.90 3.98 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 R 7.97 3.86 0.00 1.98 2.09 0.00 3.06 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.64 0.00 44 V 8.00 3.70 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.98 0.00 0.00 45 S 8.28 4.19 0.00 3.84 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 S 7.88 4.92 0.00 4.02 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.28 4.57 0.00 1.89 1.82 0.00 3.16 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.80 0.00 48 S 8.85 4.32 0.00 3.87 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 H 7.83 4.86 0.00 2.98 3.16 0.00 5.87 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.72 4.61 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 51 E 8.45 4.41 0.00 1.94 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.17 0.00 52 E 7.28 4.15 0.00 1.95 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 53 Q 7.98 4.58 0.00 1.99 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 7.32 0.00 0.00 0.00 0.00 0.00 2.21 2.46 0.00 54 C 8.25 5.58 0.00 2.91 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 T 7.65 3.45 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 56 E 7.87 3.69 0.00 2.04 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.52 0.00 57 E 8.19 3.94 0.00 2.22 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 58 L 7.82 4.01 0.00 1.75 1.71 1.09 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 59 F 8.43 4.67 0.00 3.28 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 D 8.59 4.45 0.00 3.08 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 F 8.25 4.25 0.00 3.20 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 9.08 3.75 0.00 1.98 1.80 1.16 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 63 H 9.39 3.99 0.00 3.14 3.44 0.00 5.59 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 A 7.62 3.99 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 R 8.16 3.44 0.00 0.87 1.49 0.00 3.22 0.00 0.00 3.08 8.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 66 D 8.30 4.34 0.00 2.88 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 H 8.03 4.05 0.00 3.10 3.60 0.00 5.96 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 C 8.17 4.20 0.00 3.05 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 7.88 3.46 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.97 0.00 0.00 70 A 8.25 4.14 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 H 8.39 4.51 0.00 3.19 3.36 0.00 5.62 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 K 7.49 4.44 0.00 1.77 1.79 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.48 7.81 73 L 7.90 3.91 0.00 1.89 1.80 0.80 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 74 F 8.50 4.03 0.00 3.11 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 N 8.93 4.47 0.00 2.84 2.89 0.00 0.00 7.00 5.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 K 7.71 4.13 0.00 1.83 1.83 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.39 7.81 77 L 7.02 4.23 0.00 1.23 1.37 0.40 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 78 K 8.28 4.14 0.00 1.66 1.62 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.39 7.81 * Residues marked with a * may have inaccurate shift predictions.