NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.7211 8.2827 118.1457 52.4289 38.7872 174.9772 2 R 3.6192 8.2894 119.7067 58.6452 30.1087 176.7629 3 W 3.8165 8.6412 128.0818 60.5455 31.0906 177.4977 4 Q 4.1265 8.6635 118.1896 58.9320 27.9916 178.5107 5 F 4.4367 7.8951 120.0823 60.8874 39.3414 177.3338 6 K 3.5089 7.3662 118.1605 59.0987 31.6416 178.9733 7 N 4.2513 7.4512 116.2091 56.1246 38.3995 177.3053 8 M 4.0628 7.8739 120.5136 58.4138 32.0397 178.8154 9 I 3.5624 7.2252 119.9435 64.1875 36.9398 178.4600 10 S 4.1334 7.7476 113.4513 61.3029 62.2642 175.0447 11 C 4.4682 8.3188 120.9740 58.5434 43.4824 174.4331 12 T 4.2810 7.6179 108.6192 61.1478 70.8466 174.3820 13 V 4.5290 7.8733 121.4471 60.5233 31.4427 174.1438 14 P 4.3848 0.0000 0.0000 65.3315 31.6699 177.7063 15 S 4.3286 7.7215 112.5553 58.8728 63.5549 173.7611 *17 R 4.4230 7.5906 119.2624 56.0843 31.2324 175.3236 18 S 4.3970 8.2267 116.9147 57.7053 63.4367 174.4139 19 W 4.7323 8.3616 119.6252 58.0934 27.7526 178.0497 20 W 3.6883 7.2333 119.5928 58.8450 28.2871 177.0864 21 D 4.4136 7.4536 116.4633 55.5805 40.3768 177.1918 22 F 4.7368 7.8132 115.8581 57.2063 40.5752 176.3906 23 A 4.4160 7.7150 121.3099 54.9863 18.5402 176.7623 24 D 4.9710 8.0487 115.8656 52.3829 41.8724 171.8635 25 Y 4.9211 8.5451 122.7818 55.9862 42.5218 176.3762 26 G 3.6839 8.1767 115.7175 46.0200 0.0000 172.4373 27 C 4.4911 8.9293 114.4118 57.4150 41.4735 174.3385 28 Y 4.1841 9.3065 116.5468 59.5055 39.5327 175.7446 29 C 4.1860 8.0030 117.2948 59.2197 40.4955 173.7153 30 G 4.7778 9.5304 109.8621 45.0406 0.0000 172.1392 31 R 3.8266 8.6298 119.6705 55.3703 31.6289 177.2571 32 G 3.6762 8.8678 108.0227 47.3134 0.0000 171.0452 33 G 4.0554 7.7613 110.2796 44.7804 0.0000 172.0965 34 S 4.4425 7.3163 117.8322 58.4052 65.6293 176.1114 35 G 4.0121 8.6180 107.5890 46.2151 0.0000 171.8932 36 T 4.5657 8.1885 116.0864 60.9732 69.8783 172.7925 37 P 5.3422 0.0000 0.0000 62.6318 31.8458 176.8124 38 V 3.8607 8.7334 116.9535 64.2195 32.2549 175.4209 39 D 4.5310 7.5101 118.3547 51.9185 41.2152 175.2222 40 D 4.3574 8.9738 116.3020 57.8324 40.4857 177.9965 41 L 3.9419 7.9848 120.4150 58.2861 42.1081 178.4014 42 D 4.5142 8.6161 118.0174 57.3650 41.1691 178.1729 43 R 3.9119 7.8856 119.2274 59.3405 30.0160 177.9197 44 C 4.4093 8.0367 116.4713 60.2515 41.1441 175.3652 45 C 4.4469 8.0809 117.5301 59.6772 40.5568 175.9861 46 Q 3.5925 8.0293 121.4119 59.0489 28.5129 178.1553 47 V 3.4803 7.5429 119.2673 66.5207 31.4677 177.4153 48 H 3.9424 8.2208 117.6299 59.1921 29.5884 177.0663 49 D 4.1728 8.0763 120.7545 57.2259 40.7172 178.1500 50 N 4.2698 8.2199 117.1619 56.6102 38.5655 176.1771 51 C 4.0389 8.2666 119.8050 60.3859 37.9753 175.5139 52 Y 4.0184 7.9584 117.8530 61.0730 37.1512 178.1147 53 N 4.4230 8.1415 117.3356 56.2754 39.1442 176.7148 54 E 4.0907 8.1192 119.9700 59.3482 29.6459 178.6881 55 A 3.4098 8.0864 120.7218 55.2873 18.0570 178.8963 56 E 4.2119 7.7671 114.6706 57.9324 29.8029 178.1812 57 K 4.1385 8.7829 119.4654 58.6822 32.1715 177.8291 58 I 3.8285 7.2780 119.4602 60.5751 37.5321 175.4273 59 S 4.2557 8.6929 119.5691 59.6386 62.4366 173.8909 60 G 3.7957 8.6538 115.9613 46.7345 0.0000 174.0047 61 C 4.4739 7.7115 120.2964 54.9007 41.2926 173.0019 62 N 4.7178 8.2421 126.1273 50.6620 37.1648 174.2644 63 P 4.0218 0.0000 0.0000 65.5798 31.6378 179.1920 64 R 3.9477 7.9651 115.8858 58.2506 30.1674 178.2701 65 F 4.3437 7.4915 113.5441 57.7907 41.2969 174.5412 66 R 3.8454 8.6351 120.8527 56.7663 29.5113 175.8235 67 T 4.1226 8.4155 123.1976 63.2732 68.9564 174.1384 68 Y 4.8254 7.5459 125.3563 55.3291 40.7366 174.9676 69 S 4.8910 10.0533 116.2473 57.0485 63.3281 172.4491 70 Y 5.5166 8.6057 123.8707 55.1472 41.9123 174.2516 71 E 4.3773 9.3296 119.3516 54.9111 33.4481 172.7060 72 C 5.3482 8.8415 127.1918 55.3855 43.7779 172.9991 73 T 4.2891 8.8005 124.2413 62.9078 70.1146 175.1419 74 A 3.8059 9.5087 132.3738 53.1068 15.8723 176.1942 75 G 3.9806 8.1988 111.7151 45.2104 0.0000 172.9296 76 T 4.3289 8.6160 118.3236 62.2306 68.7974 173.7540 77 L 4.8786 8.3343 127.1608 54.6544 42.9991 176.8425 78 T 4.6215 8.9405 119.2670 62.2970 73.1070 172.3000 79 C 5.0325 8.8715 124.6234 55.8004 40.8335 173.7174 80 T 4.1671 8.6376 115.2901 61.2907 69.2171 174.8004 81 G 3.8623 8.6536 108.4461 46.3250 0.0000 175.1930 82 R 4.2573 7.8900 117.1991 56.9018 30.1057 176.0056 83 N 4.8663 7.5219 115.9981 51.9714 39.9170 175.2786 84 N 4.7173 8.4735 118.9075 51.9144 40.2172 176.0845 85 A 3.9858 8.4491 122.4737 55.9733 18.2910 180.2139 86 C 4.1847 8.1935 116.1527 59.3982 39.4859 175.0573 87 A 4.0242 8.2587 121.3887 55.3145 18.0861 179.2262 88 A 3.8789 8.9999 119.9287 55.8027 18.4210 179.7590 89 S 3.9598 8.0702 113.3554 61.5333 62.9286 176.7405 90 V 3.4434 8.1461 121.0069 66.5729 31.1941 177.4025 91 C 2.8122 8.4044 117.9927 59.3096 40.2920 175.1022 92 D 4.0417 7.6539 119.1048 57.2257 40.2218 177.5321 93 C 4.1961 8.1047 117.2070 60.1417 40.2883 175.9068 94 D 3.8078 7.9315 120.3837 56.9817 40.2274 178.6135 95 R 3.7442 7.8741 119.2786 59.6053 29.7177 178.6742 96 L 3.9496 7.8319 118.0973 57.1687 41.4801 179.5341 97 A 3.7336 7.3447 120.0245 54.7871 18.7131 179.4792 98 A 3.5198 7.9886 119.0450 54.5505 18.1800 179.4802 99 I 3.9600 7.2951 118.2530 63.6928 37.5549 177.4189 100 C 4.3643 7.6260 118.9787 59.3682 43.1800 175.7078 101 F 4.4033 7.9081 118.8193 60.5721 38.6247 177.3095 102 A 4.3002 7.6119 118.1104 54.9113 18.1344 179.4443 103 G 3.7182 7.7219 103.3810 46.3438 0.0000 174.5047 104 A 4.4001 7.2128 122.0584 50.9286 19.4309 174.9166 105 P 4.6346 0.0000 0.0000 61.5679 32.5977 175.5452 106 Y 4.0205 8.4944 123.6704 56.7281 38.7223 175.2281 107 N 4.7842 8.5709 127.0127 51.5772 37.8060 175.3507 108 D 4.6670 8.9129 124.1887 57.7969 41.1662 178.7544 109 N 4.6139 8.1877 112.3377 54.0825 38.4912 174.9121 110 N 4.5375 8.6166 115.6998 52.7158 39.4506 173.2389 111 Y 4.4590 7.7538 120.9000 57.6752 39.9375 174.9043 112 N 3.8925 8.4015 127.1366 54.4762 37.5663 172.5648 113 I 3.8827 6.9847 111.3040 60.1685 39.9286 175.6561 114 D 4.5360 8.2131 119.4308 52.9334 41.1155 176.2757 115 L 3.8714 8.3229 127.9519 57.9398 41.5368 178.9762 116 Q 3.8980 8.0380 116.9156 59.3912 29.0358 177.9412 117 A 4.1227 7.2744 120.4148 54.6330 18.5846 178.8825 118 R 4.4669 7.7819 112.8356 56.2189 31.1588 176.1488 119 C 4.9002 8.2364 115.5769 56.2214 41.8378 173.7149 120 N 4.4664 8.0990 123.7777 53.8295 38.5531 174.4230 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 1 N 8.28 4.72 0.00 2.96 3.10 0.00 0.00 5.72 6.77 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 2 R 8.29 3.62 0.00 1.80 1.88 0.00 2.96 0.00 0.00 2.68 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.52 0.00 3 W 8.64 3.82 0.00 3.39 3.31 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 4 Q 8.66 4.13 0.00 2.02 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.57 0.00 0.00 0.00 0.00 0.00 2.69 2.64 0.00 5 F 7.90 4.44 0.00 3.25 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 6 K 7.37 3.51 0.00 1.22 1.10 0.00 0.62 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.83 7.81 7 N 7.45 4.25 0.00 2.90 2.93 0.00 0.00 7.17 7.66 0.00 0.00 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 M 7.87 4.06 0.00 2.00 2.20 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 9 I 7.23 3.56 1.79 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.22 0.74 0.00 0.00 10 S 7.75 4.13 0.00 3.93 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 11 C 8.32 4.47 0.00 3.15 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 T 7.62 4.28 4.23 0.00 0.00 0.00 0.00 0.00 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 13 V 7.87 4.53 2.31 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 1.18 0.00 0.00 1.02 0.00 0.00 14 P 0.00 4.38 0.00 2.22 2.20 0.00 3.83 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 15 S 7.72 4.33 0.00 3.99 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 0.00 *17 R 7.59 4.42 0.00 2.05 1.92 0.00 3.05 0.00 0.00 2.65 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.46 0.00 18 S 8.23 4.40 0.00 3.81 3.66 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.36 4.73 0.00 3.50 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 W 7.23 3.69 0.00 2.99 2.97 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 0.00 0.00 0.00 21 D 7.45 4.41 0.00 1.95 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 F 7.81 4.74 0.00 3.24 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 23 A 7.72 4.42 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.05 4.97 0.00 2.76 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.55 4.92 0.00 3.20 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.18 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 C 8.93 4.49 0.00 2.77 2.86 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 28 Y 9.31 4.18 0.00 3.25 3.07 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 0.00 0.00 0.00 29 C 8.00 4.19 0.00 3.44 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 G 9.53 4.78 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 0.00 0.00 0.00 0.00 0.00 0.00 31 R 8.63 3.83 0.00 1.83 1.94 0.00 3.51 0.00 0.00 3.31 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.82 0.00 32 G 8.87 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.76 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 S 7.32 4.44 0.00 3.91 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.62 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 0.00 0.00 0.00 36 T 8.19 4.57 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 37 P 0.00 5.34 0.00 2.08 2.15 0.00 3.79 0.00 0.00 4.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.08 0.00 38 V 8.73 3.86 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 0.66 0.00 0.00 0.84 0.00 0.00 39 D 7.51 4.53 0.00 2.89 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.97 4.36 0.00 2.83 2.79 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 0.00 0.00 0.00 41 L 7.98 3.94 0.00 1.64 1.76 0.60 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 42 D 8.62 4.51 0.00 3.15 2.79 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 0.00 0.00 0.00 43 R 7.89 3.91 0.00 2.16 1.96 0.00 3.15 0.00 0.00 3.16 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 44 C 8.04 4.41 0.00 3.49 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 C 8.08 4.45 0.00 3.36 3.36 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 46 Q 8.03 3.59 0.00 0.98 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.75 0.00 0.00 0.00 0.00 0.00 1.97 1.27 0.00 47 V 7.54 3.48 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.97 0.00 0.00 48 H 8.22 3.94 0.00 3.27 3.38 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.08 4.17 0.00 2.96 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 N 8.22 4.27 0.00 2.86 2.86 0.00 0.00 6.67 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 C 8.27 4.04 0.00 3.05 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 52 Y 7.96 4.02 0.00 3.06 2.96 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 0.00 0.00 0.00 53 N 8.14 4.42 0.00 3.00 2.88 0.00 0.00 7.27 7.23 0.00 0.00 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 E 8.12 4.09 0.00 2.22 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 2.32 2.45 0.00 55 A 8.09 3.41 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 56 E 7.77 4.21 0.00 2.08 2.01 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 2.48 2.51 0.00 57 K 8.78 4.14 0.00 1.71 1.87 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.50 7.81 58 I 7.28 3.83 1.85 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 1.21 1.34 0.90 0.00 0.00 59 S 8.69 4.26 0.00 3.82 3.78 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 0.00 0.00 0.00 60 G 8.65 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.71 4.47 0.00 3.00 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 62 N 8.24 4.72 0.00 2.93 2.96 0.00 0.00 7.00 8.03 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 63 P 0.00 4.02 0.00 1.33 0.82 0.00 3.51 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.83 0.00 64 R 7.97 3.95 0.00 1.88 1.50 0.00 3.27 0.00 0.00 3.53 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 65 F 7.49 4.34 0.00 3.01 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 R 8.64 3.85 0.00 1.91 1.94 0.00 3.48 0.00 0.00 3.25 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.80 0.00 67 T 8.42 4.12 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 1.21 0.00 0.00 68 Y 7.55 4.83 0.00 3.19 3.02 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 69 S 10.05 4.89 0.00 4.00 3.89 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 0.00 0.00 0.00 70 Y 8.61 5.52 0.00 3.20 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 71 E 9.33 4.38 0.00 1.96 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 2.21 2.24 0.00 72 C 8.84 5.35 0.00 3.16 3.02 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 73 T 8.80 4.29 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 74 A 9.51 3.81 1.34 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 0.00 0.00 0.00 75 G 8.20 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 0.00 0.00 0.00 76 T 8.62 4.33 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 1.22 0.00 0.00 77 L 8.33 4.88 0.00 1.53 1.62 0.87 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 78 T 8.94 4.62 4.47 0.00 0.00 0.00 0.00 0.00 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 79 C 8.87 5.03 0.00 2.81 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 80 T 8.64 4.17 4.26 0.00 0.00 0.00 0.00 0.00 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 81 G 8.65 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 82 R 7.89 4.26 0.00 1.85 2.00 0.00 3.22 0.00 0.00 3.24 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 83 N 7.52 4.87 0.00 2.73 2.76 0.00 0.00 6.92 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 N 8.47 4.72 0.00 2.99 2.95 0.00 0.00 5.94 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.45 3.99 1.34 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 0.00 0.00 0.00 86 C 8.19 4.18 0.00 2.99 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 A 8.26 4.02 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 A 9.00 3.88 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 89 S 8.07 3.96 0.00 4.14 3.84 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 90 V 8.15 3.44 2.25 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 1.07 0.00 0.00 0.83 0.00 0.00 91 C 8.40 2.81 0.00 2.25 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 92 D 7.65 4.04 0.00 2.90 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 C 8.10 4.20 0.00 3.25 3.09 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 0.00 0.00 0.00 0.00 94 D 7.93 3.81 0.00 2.62 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 R 7.87 3.74 0.00 1.81 1.79 0.00 3.06 0.00 0.00 3.11 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 96 L 7.83 3.95 0.00 1.66 1.64 0.86 0.88 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 97 A 7.34 3.73 1.01 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 0.00 0.00 98 A 7.99 3.52 1.22 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 0.00 0.00 0.00 99 I 7.30 3.96 1.80 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.29 0.89 0.00 0.00 100 C 7.63 4.36 0.00 3.18 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 F 7.91 4.40 0.00 2.72 2.79 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 0.00 0.00 0.00 102 A 7.61 4.30 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 G 7.72 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 A 7.21 4.40 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 0.00 105 P 0.00 4.63 0.00 2.10 2.03 0.00 3.71 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 106 Y 8.49 4.02 0.00 2.89 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 N 8.57 4.78 0.00 3.00 2.74 0.00 0.00 6.58 8.16 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 0.00 108 D 8.91 4.67 0.00 2.87 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 0.00 109 N 8.19 4.61 0.00 2.70 2.82 0.00 0.00 6.73 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 N 8.62 4.54 0.00 2.14 1.62 0.00 0.00 6.60 8.14 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 0.00 111 Y 7.75 4.46 0.00 3.11 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 0.00 112 N 8.40 3.89 0.00 1.70 2.49 0.00 0.00 7.29 7.98 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 0.00 113 I 6.98 3.88 1.76 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.61 0.72 0.00 0.00 114 D 8.21 4.54 0.00 2.76 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 L 8.32 3.87 0.00 1.67 1.65 0.88 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 116 Q 8.04 3.90 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.05 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 117 A 7.27 4.12 1.38 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 0.00 0.00 118 R 7.78 4.47 0.00 1.88 1.91 0.00 3.06 0.00 0.00 3.16 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 119 C 8.24 4.90 0.00 2.91 3.14 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 0.00 0.00 0.00 0.00 120 N 8.10 4.47 0.00 2.66 2.69 0.00 0.00 6.93 7.56 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 * Residues marked with a * may have inaccurate shift predictions.