NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.4739 8.3344 116.8047 58.3400 64.8089 173.0365 8 D 4.8685 7.9792 120.1501 51.5596 43.1835 173.8321 9 F 5.5206 8.7945 117.4728 55.3416 42.0518 173.4829 10 V 4.6891 9.2346 112.1161 59.5908 35.6870 174.8613 11 V 4.8045 8.5957 123.7199 61.3745 33.7135 174.4424 12 I 4.9954 9.0196 128.7639 59.4259 40.5914 174.1318 13 K 5.0333 9.2702 129.1553 54.4094 34.5440 174.8463 14 A 4.5896 8.8145 130.1080 52.0064 19.1519 177.5770 15 L 4.6426 9.2776 122.7073 55.0795 42.6952 175.8028 16 E 4.8007 7.7954 115.5689 54.5688 33.1516 174.6636 17 D 4.5965 8.7177 119.3538 55.0350 41.5191 176.1054 18 G 3.8555 8.3757 107.2919 46.7318 0.0000 174.3903 19 V 3.9666 7.7814 119.3542 62.3493 33.2048 174.1286 20 N 5.0576 9.4270 126.1282 51.9015 41.0219 173.2670 21 V 4.5697 8.7337 127.5845 61.6114 33.0758 173.9714 22 I 4.8025 8.9954 130.3304 59.6281 38.9051 175.1967 23 G 4.3619 9.5987 116.1604 45.0356 0.0000 172.6388 24 L 5.1412 9.0184 124.1869 53.1699 45.0910 177.2950 25 T 4.2587 8.4632 109.5268 62.5604 70.9215 174.6655 *32 F 4.7149 7.7385 115.5708 56.6316 39.7504 175.2209 33 H 4.1235 8.4398 118.0285 59.1476 28.0220 176.1004 34 H 4.4839 6.1618 130.6039 56.8488 30.9908 174.4842 35 S 4.8501 8.4775 120.7581 57.1409 64.5407 173.3120 36 E 4.4572 8.3095 124.9367 54.9469 32.4089 174.3347 37 K 4.7360 8.6791 127.0281 56.2158 33.4610 176.6014 38 L 4.9819 8.9613 123.1314 53.1669 45.5669 175.4356 39 D 5.2230 10.0406 123.4845 51.8196 44.0491 175.7316 40 K 4.0181 8.6282 121.9353 59.0297 32.1489 176.9672 41 G 4.0201 9.3211 115.8966 44.9943 0.0000 173.1612 42 E 4.3271 8.3646 120.0262 56.1008 30.9557 175.8912 43 V 4.9530 8.2824 121.7120 61.0186 34.4258 174.2369 44 L 4.7256 9.0609 129.5773 53.3004 44.9671 175.0367 45 I 4.8880 8.4842 126.5273 59.8353 38.6235 174.3001 46 A 4.6458 9.0033 130.2898 50.1739 20.9081 175.3470 47 Q 4.9958 8.4863 123.4062 54.3146 31.5563 174.8198 48 F 4.5073 8.7613 124.1208 57.5065 39.6718 175.8117 49 T 4.6011 8.4380 114.6202 59.7122 71.2411 174.2442 50 E 4.1451 8.7836 118.6011 59.8846 29.7783 177.7857 51 H 4.0369 8.4598 115.5467 57.9117 28.7912 174.8308 52 T 4.7418 7.4614 115.3148 61.7412 68.9034 174.0088 53 S 4.4958 8.8379 122.0342 60.5943 63.8049 174.5914 54 A 5.1453 8.0785 120.7859 49.6415 22.8813 174.6554 55 I 4.9581 8.5183 119.3816 59.4201 40.5017 174.8124 56 K 4.6095 9.2704 128.7922 54.5572 34.7302 174.8826 57 V 4.8099 8.4078 126.2906 61.2166 33.8049 174.2585 58 R 4.4736 9.1976 129.3911 54.9021 31.7829 174.6978 59 G 4.1501 8.7758 111.1314 43.1187 0.0000 172.3670 60 K 4.8257 8.9386 119.3374 55.9629 32.6370 176.5979 61 A 5.1015 9.0107 126.3051 50.5677 23.5810 173.6145 62 Y 4.9709 9.1920 121.2359 56.0298 40.9926 174.5546 63 I 4.9546 8.6299 127.3668 59.5087 40.7852 174.3454 64 Q 4.9629 9.1537 125.9820 54.2677 31.5036 174.8785 65 T 4.7908 8.5602 112.8618 59.2694 72.3942 174.6721 66 R 3.6503 8.5512 121.4146 59.5109 29.8397 176.3630 67 H 4.7491 7.6255 112.7172 55.5755 28.9806 174.5720 68 G 3.7401 8.1888 107.3991 44.2688 0.0000 173.5058 69 V 4.5602 7.7138 111.2606 60.5853 33.6801 175.4510 70 I 4.3976 8.1358 120.4985 60.1501 41.8725 172.4709 71 E 5.2225 8.7639 128.0849 54.3823 31.8944 174.9695 72 S 4.5900 8.9606 122.1319 57.4360 65.0807 173.3163 73 E 5.1131 8.8631 123.8615 54.2947 29.1097 176.1596 74 G 4.0176 8.6273 115.1602 46.5489 0.0000 172.0246 75 K 4.3389 9.1583 126.6907 54.3151 32.3068 176.9540 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 7 S 8.33 4.47 0.00 3.92 4.03 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 8 D 7.98 4.87 0.00 2.81 2.58 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 9 F 8.79 5.52 0.00 3.14 3.00 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 10 V 9.23 4.69 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 0.74 0.00 0.00 0.88 0.00 0.00 11 V 8.60 4.80 2.14 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 1.17 0.00 0.00 12 I 9.02 5.00 1.88 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.65 0.92 0.00 0.00 13 K 9.27 5.03 0.00 1.89 1.81 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.41 7.81 14 A 8.81 4.59 1.31 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 15 L 9.28 4.64 0.00 1.58 1.73 0.98 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.80 4.80 0.00 1.91 1.89 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 2.18 2.33 0.00 17 D 8.72 4.60 0.00 2.69 2.64 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 18 G 8.38 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.78 3.97 2.09 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 1.06 0.00 0.00 0.99 0.00 0.00 20 N 9.43 5.06 0.00 2.79 2.63 0.00 0.00 6.59 7.69 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 21 V 8.73 4.57 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 0.88 0.00 0.00 0.92 0.00 0.00 22 I 9.00 4.80 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.48 0.97 0.00 0.00 23 G 9.60 4.36 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 0.00 24 L 9.02 5.14 0.00 1.86 1.56 0.97 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.46 4.26 4.22 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 0.00 0.00 0.00 1.26 0.00 0.00 *32 F 7.74 4.71 0.00 3.07 3.25 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 0.00 33 H 8.44 4.12 0.00 3.18 3.23 0.00 5.89 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 6.16 4.48 0.00 3.33 3.26 0.00 5.76 0.00 0.00 0.00 0.00 6.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.48 4.85 0.00 3.91 3.71 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 36 E 8.31 4.46 0.00 1.99 1.78 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 2.18 2.31 0.00 37 K 8.68 4.74 0.00 1.93 1.71 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.64 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.44 1.04 7.81 38 L 8.96 4.98 0.00 1.66 1.51 0.93 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 39 D 10.04 5.22 0.00 2.62 2.65 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 40 K 8.63 4.02 0.00 1.75 1.92 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.47 1.43 7.81 41 G 9.32 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.36 4.33 0.00 2.09 1.88 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 2.33 2.26 0.00 43 V 8.28 4.95 2.09 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 0.85 0.00 0.00 0.96 0.00 0.00 44 L 9.06 4.73 0.00 1.74 1.46 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.48 4.89 1.73 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.92 0.63 0.00 0.00 46 A 9.00 4.65 1.12 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 0.00 0.00 47 Q 8.49 5.00 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.90 0.00 0.00 0.00 0.00 0.00 2.38 2.61 0.00 48 F 8.76 4.51 0.00 3.08 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 49 T 8.44 4.60 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 1.23 0.00 0.00 50 E 8.78 4.15 0.00 2.10 2.15 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 2.34 2.34 0.00 51 H 8.46 4.04 0.00 3.13 3.46 0.00 5.84 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.46 4.74 4.33 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 1.26 0.00 0.00 53 S 8.84 4.50 0.00 3.93 4.01 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 54 A 8.08 5.15 1.29 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 55 I 8.52 4.96 1.82 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.58 0.86 0.00 0.00 56 K 9.27 4.61 0.00 1.81 1.66 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.84 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.38 7.81 57 V 8.41 4.81 2.09 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 0.85 0.00 0.00 0.93 0.00 0.00 58 R 9.20 4.47 0.00 1.91 1.76 0.00 3.13 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 59 G 8.78 4.15 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 0.00 60 K 8.94 4.83 0.00 1.87 1.80 0.00 1.68 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.55 7.81 61 A 9.01 5.10 1.24 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 62 Y 9.19 4.97 0.00 2.99 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 8.63 4.95 1.87 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 1.20 0.59 0.86 0.00 0.00 64 Q 9.15 4.96 0.00 1.90 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.60 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 65 T 8.56 4.79 4.12 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 1.18 0.00 0.00 66 R 8.55 3.65 0.00 1.58 1.78 0.00 3.19 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 67 H 7.63 4.75 0.00 3.15 3.24 0.00 5.67 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 8.19 3.74 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 0.00 69 V 7.71 4.56 1.63 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 0.67 0.00 0.00 0.99 0.00 0.00 70 I 8.14 4.40 1.83 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.51 0.86 0.00 0.00 71 E 8.76 5.22 0.00 2.10 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.37 0.00 72 S 8.96 4.59 0.00 3.95 3.98 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 73 E 8.86 5.11 0.00 1.85 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 2.22 2.29 0.00 74 G 8.63 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 75 K 9.16 4.34 0.00 1.76 1.55 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.26 0.96 7.81 * Residues marked with a * may have inaccurate shift predictions.