NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.4069 8.0433 122.6802 54.7901 43.0522 175.2237 4 I 4.5081 8.3766 126.1514 58.6138 38.5672 170.2163 5 V 4.3780 9.5709 127.9868 61.1097 34.8565 173.5771 6 N 5.0526 9.1246 126.2360 52.4391 40.0162 174.3298 7 V 4.5745 8.6831 125.5241 61.5455 33.3141 174.4858 8 I 4.8127 8.9673 130.2538 59.6631 39.7914 174.4465 9 N 5.3711 9.4609 125.5305 51.7844 41.0350 175.4216 10 G 4.3573 9.0320 113.7449 43.7901 0.0000 170.8682 11 P 4.3832 0.0000 0.0000 64.5336 31.4830 176.5641 12 N 4.4537 9.1052 117.4961 53.7766 37.1874 175.7366 13 L 4.3916 7.5790 117.4397 55.5254 42.1918 178.0924 14 G 3.6321 7.9669 106.9827 47.6803 0.0000 174.4809 15 R 4.4450 7.5830 118.4108 55.9179 30.3620 176.2015 16 L 4.1222 7.6574 119.2887 56.6069 42.0243 177.8025 17 G 3.8909 10.4871 112.9000 45.7775 0.0000 173.3396 18 R 4.4033 7.9622 118.7875 57.0540 33.5527 180.9388 19 R 4.3773 9.9154 116.1088 58.4033 29.8688 176.6322 20 E 4.7526 8.2252 110.6408 56.7887 35.3125 182.0020 *25 G 3.9703 9.4899 105.4255 45.1197 0.0000 173.8098 26 G 4.1280 8.5875 108.4080 44.7581 0.0000 173.7978 27 T 4.4746 7.8737 116.4835 62.2151 69.5299 176.2878 28 T 4.8934 8.8414 119.6189 60.8717 71.0791 175.1374 29 H 4.0846 8.6439 120.6565 59.4040 29.8953 177.0545 30 D 4.3376 8.0875 120.4097 57.4453 40.6951 178.4559 31 E 3.9980 7.8792 117.7269 58.9913 29.3883 179.2059 32 L 3.7984 7.7447 120.7042 57.8784 42.1570 179.0535 33 V 3.3889 7.8655 118.3062 65.9561 31.5406 177.7762 34 A 3.9654 7.8755 120.3584 55.3121 18.2254 179.6766 35 L 3.9782 7.9059 117.4405 57.7920 41.6573 179.8255 36 I 3.7161 7.7387 119.9213 64.4332 37.0781 178.3618 37 E 4.0672 8.2430 119.4257 59.3046 29.3073 179.6996 38 R 3.9030 7.9320 118.1529 59.2044 30.1358 178.7181 39 E 3.9497 8.2820 118.9857 59.0617 29.6260 178.6834 40 A 3.9748 8.5298 121.1520 55.1088 18.2821 179.4494 41 A 3.9696 7.9521 119.2237 55.4322 18.2200 179.7771 42 E 3.9361 7.9258 115.6505 59.0312 29.6227 178.6999 43 L 4.3785 7.5967 116.3487 54.3294 42.2871 176.7200 44 G 3.7826 7.8822 106.7923 46.5680 0.0000 173.0267 45 L 5.0044 8.3503 117.3897 52.3230 46.2642 176.4849 46 K 4.5013 9.0119 121.5172 54.7622 34.4140 174.4720 47 A 4.9164 8.6011 129.8555 50.7390 20.4387 176.2298 48 V 3.9963 8.5458 123.7643 61.4933 32.8455 174.4995 49 V 4.6604 8.0952 128.4287 61.3238 32.9147 175.0935 50 R 4.5704 8.7613 125.9914 54.4642 34.6255 173.8735 51 Q 5.2433 8.5560 122.0102 54.7509 32.1896 174.1139 52 S 4.7897 8.9489 119.0985 57.4665 65.5382 173.7414 53 D 4.5858 8.9113 124.4630 54.9877 41.4832 176.6815 54 S 4.5704 8.0346 115.7271 56.6402 64.0083 174.0285 55 E 3.8620 8.6605 129.3842 59.3407 29.5905 178.5310 56 A 3.8947 7.8759 120.3587 55.1971 18.3573 179.2663 57 Q 3.4219 7.6746 117.4900 59.0366 29.1310 178.2178 58 L 4.0408 7.4425 119.6520 57.6331 41.5998 179.3499 59 L 3.8469 8.0728 119.3088 57.8280 41.5460 179.1340 60 D 4.3342 7.9955 117.7595 57.2421 41.1856 178.2792 61 W 4.5214 8.1341 119.5399 59.9947 28.9778 178.6281 62 I 3.8684 8.0027 119.8717 64.4258 36.5382 178.0337 63 H 4.2617 8.2773 117.2613 59.1515 28.5755 177.6934 64 Q 4.0636 8.4122 119.5006 59.1436 28.5858 179.0028 65 A 4.0569 8.1270 121.3177 54.6885 18.4753 179.6422 66 A 3.9866 8.1903 119.7933 55.3037 18.3862 179.2672 67 D 4.2288 8.6407 115.9851 56.8798 41.3562 176.7979 68 A 4.3423 8.1924 118.7448 50.9791 19.8843 176.1286 69 A 3.7932 7.4147 117.7721 53.5679 16.5321 176.9801 70 E 4.8393 8.3605 119.5690 53.6839 32.6758 176.5972 71 P 4.6335 0.0000 0.0000 63.0184 33.0335 175.2731 72 V 4.7624 8.6860 122.3445 61.2573 34.7322 174.1334 73 I 4.8031 9.2794 129.6252 59.7734 38.9920 174.3376 74 L 5.1471 9.1212 130.1918 53.1513 45.0711 174.5328 75 N 5.2626 9.4766 125.1175 51.1019 40.4126 174.4610 76 A 4.3818 8.7757 128.9989 51.6781 20.5520 178.2116 77 G 3.9629 8.1050 105.3866 46.0920 0.0000 177.5510 78 G 3.8020 8.7138 110.0949 48.2576 0.0000 174.6939 79 L 4.4863 7.6661 118.8542 56.3966 42.2361 179.2599 80 T 3.8678 8.0287 116.5068 66.8425 68.3454 175.4373 81 H 4.9949 7.6763 114.5816 56.2670 29.5467 175.8590 82 T 4.5005 7.8205 108.5998 62.2352 70.4472 173.3201 83 S 4.4756 8.1597 118.0227 56.6896 62.1698 174.5339 84 V 3.2759 7.9776 128.4965 65.4511 31.2212 177.3029 85 A 3.9292 7.8768 120.2413 55.2908 18.1528 179.1204 86 L 3.8491 7.9137 118.5471 58.2205 42.1237 179.1100 87 R 3.8933 7.6302 117.4300 59.6433 29.8352 178.2277 88 D 4.3617 8.2263 117.4503 57.2391 41.0263 178.3072 89 A 4.1915 8.2467 121.4205 55.5893 18.5385 179.6010 90 C 4.1843 8.3918 114.9286 62.6803 27.9206 176.1181 91 A 4.1064 7.9543 121.6124 54.6430 17.9698 178.7775 92 E 4.0927 7.8780 116.6723 57.4403 30.0123 177.1102 93 L 4.1386 7.2462 119.6654 55.0019 42.0645 177.0189 94 S 4.4397 8.6512 117.1420 59.2838 64.2437 174.3371 95 A 4.5040 7.6805 121.5597 50.1865 19.8618 175.5147 96 P 4.4538 0.0000 0.0000 63.1045 33.0684 175.3412 97 L 5.2477 8.8932 123.4939 53.5427 45.4785 174.9623 98 I 4.8389 8.8264 127.5842 59.4615 39.7015 174.3205 99 E 4.7359 8.8532 128.8030 55.3989 31.3035 175.0988 100 V 4.5587 8.6686 126.3403 61.3097 35.0143 173.7267 101 H 4.8203 8.9857 124.2510 54.2216 31.9821 174.5314 102 I 3.9659 8.6499 124.4152 64.4294 37.8692 176.8738 103 S 4.5906 7.9123 114.3260 56.9970 64.2258 173.3025 104 N 4.4638 8.4421 120.2536 53.1854 38.1667 175.9876 105 V 3.6656 8.2235 125.8689 63.6439 31.8663 176.5218 106 H 4.5061 8.0687 115.9529 56.1786 29.1888 175.2835 107 A 4.6861 7.5461 121.8744 51.7115 19.4893 177.2772 108 R 4.7157 7.2638 118.0415 56.3092 32.4381 175.3225 109 E 3.9665 8.2645 120.3527 57.2240 30.2388 177.6698 110 E 3.9458 8.5525 122.3646 58.8393 29.9976 178.8130 111 F 4.4237 7.7568 112.4808 58.9603 38.2097 176.2713 112 R 3.5612 6.8428 118.8080 57.4864 30.0172 177.2229 113 R 4.1187 7.4713 115.5851 56.4935 30.3769 175.5340 114 H 4.9206 7.8574 117.7930 54.1188 32.1353 172.9721 115 S 4.6758 7.7995 119.1814 56.7425 65.1806 173.5307 116 Y 4.2641 8.5101 125.0761 60.3549 38.3012 177.5454 117 L 4.2932 7.9390 119.6677 57.1670 41.6024 178.8185 118 S 4.2550 7.8355 116.4115 60.6665 62.6285 175.2017 119 P 4.3347 0.0000 0.0000 64.4024 31.1680 176.9659 120 I 4.2415 7.4773 108.4993 60.3385 38.4227 175.6821 121 A 4.3721 7.3901 124.0039 52.0144 19.3434 177.9754 122 T 4.0614 8.8143 117.4360 66.5029 68.9817 175.0215 123 G 4.0919 7.5789 105.8155 45.1812 0.0000 171.3907 124 V 4.9684 8.0448 118.6941 61.0026 34.5920 174.3379 125 I 4.5112 8.9777 128.4767 59.4668 39.7634 174.7231 126 V 4.5976 8.0860 126.1554 62.0073 34.1419 175.5821 127 G 3.9294 8.9439 115.3394 46.0763 0.0000 173.3284 128 L 4.4792 7.7151 118.4676 54.0216 42.6697 177.9578 129 G 3.9550 7.7774 108.2567 46.2331 0.0000 175.3553 130 I 4.0739 8.2283 117.4210 63.5137 38.0994 178.2070 131 Q 4.3197 7.8712 119.9163 58.3642 28.8966 177.7330 132 G 3.6158 7.9024 106.8385 48.3105 0.0000 175.1804 133 Y 4.0947 7.6033 117.4757 60.9369 37.8788 178.8260 134 L 4.0968 7.9171 119.3954 57.8042 41.8912 179.4063 135 L 4.1001 8.2925 118.8342 57.4643 41.3706 179.3553 136 A 4.0530 8.0395 120.9525 54.9817 18.0562 179.6080 137 L 3.9838 7.7145 116.5438 58.0834 41.9031 179.4541 138 R 4.0460 7.9355 118.2257 59.4065 29.8470 177.8251 139 Y 4.0935 8.0613 119.3517 60.7564 38.3704 177.9197 140 L 4.1056 7.9055 118.3492 56.5022 41.5531 178.9216 141 A 4.1135 7.5856 120.7024 53.9212 18.3409 177.8396 142 E 4.4515 7.4639 114.6557 56.3183 30.0961 175.1950 143 H 4.6106 7.2237 116.8899 55.4409 33.0045 174.5467 144 V 3.7407 8.3680 116.9433 61.4983 31.3743 173.2162 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 3 L 8.04 4.41 0.00 1.36 1.65 0.92 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 4 I 8.38 4.51 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 1.22 1.08 0.93 0.00 0.00 5 V 9.57 4.38 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 1.01 0.00 0.00 0.94 0.00 0.00 6 N 9.12 5.05 0.00 2.79 2.69 0.00 0.00 6.11 8.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.68 4.57 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 1.07 0.00 0.00 0.94 0.00 0.00 8 I 8.97 4.81 1.95 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.52 1.17 0.00 0.00 9 N 9.46 5.37 0.00 2.68 2.80 0.00 0.00 6.40 7.51 0.00 0.00 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 G 9.03 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 11 P 0.00 4.38 0.00 2.08 2.04 0.00 4.06 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 2.06 2.15 0.00 12 N 9.11 4.45 0.00 3.01 3.01 0.00 0.00 6.86 6.72 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 13 L 7.58 4.39 0.00 1.83 1.80 1.09 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 14 G 7.97 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 R 7.58 4.44 0.00 2.06 1.96 0.00 3.31 0.00 0.00 3.18 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.75 0.00 16 L 7.66 4.12 0.00 1.75 1.88 0.97 1.05 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 17 G 10.49 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 0.00 0.00 0.00 18 R 7.96 4.40 0.00 1.64 1.75 0.00 3.33 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.41 0.00 19 R 9.92 4.38 0.00 2.01 2.04 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.18 0.00 20 E 8.23 4.75 0.00 1.90 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 2.16 2.13 0.00 *25 G 9.49 3.97 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 0.00 0.00 0.00 26 G 8.59 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 27 T 7.87 4.47 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 1.25 0.00 0.00 28 T 8.84 4.89 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 29 H 8.64 4.08 0.00 3.20 3.32 0.00 5.68 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 30 D 8.09 4.34 0.00 2.72 2.69 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 0.00 0.00 0.00 0.00 31 E 7.88 4.00 0.00 2.22 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 2.31 2.30 0.00 32 L 7.74 3.80 0.00 1.61 1.51 0.48 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.87 3.39 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 0.89 0.00 0.00 0.83 0.00 0.00 34 A 7.88 3.97 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 35 L 7.91 3.98 0.00 1.74 1.70 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 36 I 7.74 3.72 1.82 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.53 0.87 0.00 0.00 37 E 8.24 4.07 0.00 2.13 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 2.29 2.38 0.00 38 R 7.93 3.90 0.00 2.04 1.96 0.00 3.12 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 39 E 8.28 3.95 0.00 2.20 2.10 0.00 0.00 0.00 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 2.38 0.00 40 A 8.53 3.97 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 41 A 7.95 3.97 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 42 E 7.93 3.94 0.00 2.14 2.03 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 2.34 2.50 0.00 43 L 7.60 4.38 0.00 1.61 1.71 0.97 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 44 G 7.88 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 0.00 0.00 0.00 45 L 8.35 5.00 0.00 1.54 1.54 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 46 K 9.01 4.50 0.00 1.76 1.63 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.29 1.33 7.81 47 A 8.60 4.92 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 48 V 8.55 4.00 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 0.83 0.00 0.00 0.87 0.00 0.00 49 V 8.10 4.66 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 0.70 0.00 0.00 0.83 0.00 0.00 50 R 8.76 4.57 0.00 0.67 0.66 0.00 2.21 0.00 0.00 2.68 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.10 0.00 51 Q 8.56 5.24 0.00 1.86 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.68 0.00 0.00 0.00 0.00 0.00 2.40 2.13 0.00 52 S 8.95 4.79 0.00 3.91 3.63 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 0.00 0.00 0.00 0.00 53 D 8.91 4.59 0.00 2.70 2.69 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 0.00 0.00 0.00 0.00 54 S 8.03 4.57 0.00 3.79 3.58 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 55 E 8.66 3.86 0.00 2.04 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 2.35 0.00 56 A 7.88 3.89 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 57 Q 7.67 3.42 0.00 1.79 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.86 0.00 0.00 0.00 0.00 0.00 1.53 1.16 0.00 58 L 7.44 4.04 0.00 1.83 1.76 0.96 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 59 L 8.07 3.85 0.00 1.90 1.62 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 60 D 8.00 4.33 0.00 2.77 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 61 W 8.13 4.52 0.00 3.59 3.06 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 62 I 8.00 3.87 1.97 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.76 0.93 0.00 0.00 63 H 8.28 4.26 0.00 3.40 3.36 0.00 5.65 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 64 Q 8.41 4.06 0.00 2.43 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.47 2.62 0.00 65 A 8.13 4.06 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.19 3.99 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.64 4.23 0.00 2.68 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 68 A 8.19 4.34 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 69 A 7.41 3.79 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 70 E 8.36 4.84 0.00 1.80 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 2.47 0.00 71 P 0.00 4.63 0.00 2.10 2.02 0.00 3.78 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 72 V 8.69 4.76 2.11 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 1.10 0.00 0.00 1.02 0.00 0.00 73 I 9.28 4.80 1.96 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.53 1.00 0.00 0.00 74 L 9.12 5.15 0.00 1.71 1.49 1.05 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 75 N 9.48 5.26 0.00 2.79 3.06 0.00 0.00 6.94 7.67 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 76 A 8.78 4.38 1.35 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 0.00 0.00 77 G 8.10 3.96 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 0.00 0.00 0.00 78 G 8.71 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 79 L 7.67 4.49 0.00 1.86 1.75 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 80 T 8.03 3.87 3.96 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 1.25 0.00 0.00 81 H 7.68 4.99 0.00 3.33 3.47 0.00 5.59 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 82 T 7.82 4.50 4.29 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 1.30 0.00 0.00 83 S 8.16 4.48 0.00 3.88 3.92 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 0.00 0.00 0.00 84 V 7.98 3.28 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 0.95 0.00 0.00 0.30 0.00 0.00 85 A 7.88 3.93 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 86 L 7.91 3.85 0.00 1.77 1.68 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 87 R 7.63 3.89 0.00 2.01 2.10 0.00 3.45 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 88 D 8.23 4.36 0.00 2.81 2.72 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 89 A 8.25 4.19 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 90 C 8.39 4.18 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 91 A 7.95 4.11 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 92 E 7.88 4.09 0.00 1.99 2.10 0.00 0.00 0.00 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 2.36 0.00 93 L 7.25 4.14 0.00 1.82 1.63 0.97 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 94 S 8.65 4.44 0.00 3.98 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 0.00 95 A 7.68 4.50 1.35 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 0.00 0.00 96 P 0.00 4.45 0.00 2.20 2.15 0.00 3.58 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.18 0.00 97 L 8.89 5.25 0.00 1.74 1.47 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 98 I 8.83 4.84 1.84 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.22 0.79 0.00 0.00 99 E 8.85 4.74 0.00 2.02 1.75 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 2.12 2.18 0.00 100 V 8.67 4.56 1.65 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 0.10 0.00 0.00 0.67 0.00 0.00 101 H 8.99 4.82 0.00 3.00 3.09 0.00 5.67 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 8.65 3.97 1.93 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.00 0.96 0.00 0.00 103 S 7.91 4.59 0.00 3.96 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 0.00 104 N 8.44 4.46 0.00 2.74 2.75 0.00 0.00 6.66 7.71 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 0.00 105 V 8.22 3.67 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 0.48 0.00 0.00 0.81 0.00 0.00 106 H 8.07 4.51 0.00 3.28 3.33 0.00 5.64 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 0.00 107 A 7.55 4.69 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 0.00 108 R 7.26 4.72 0.00 1.59 1.61 0.00 3.17 0.00 0.00 3.13 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.67 0.00 109 E 8.26 3.97 0.00 1.16 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.27 0.00 110 E 8.55 3.95 0.00 1.94 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.23 0.00 111 F 7.76 4.42 0.00 3.09 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 0.00 112 R 6.84 3.56 0.00 1.62 1.72 0.00 2.88 0.00 0.00 3.08 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.50 0.00 113 R 7.47 4.12 0.00 1.88 1.99 0.00 3.08 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.44 0.00 114 H 7.86 4.92 0.00 3.02 3.11 0.00 5.67 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 S 7.80 4.68 0.00 3.78 3.59 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 0.00 116 Y 8.51 4.26 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 0.00 117 L 7.94 4.29 0.00 1.71 1.72 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 118 S 7.84 4.25 0.00 3.87 3.92 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 0.00 0.00 0.00 119 P 0.00 4.33 0.00 2.05 2.13 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 2.04 2.14 0.00 120 I 7.48 4.24 1.89 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 1.27 0.67 0.94 0.00 0.00 121 A 7.39 4.37 1.33 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 0.00 0.00 0.00 122 T 8.81 4.06 4.29 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 1.23 0.00 0.00 123 G 7.58 4.09 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 0.00 0.00 0.00 124 V 8.04 4.97 2.05 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 0.90 0.00 0.00 0.92 0.00 0.00 125 I 8.98 4.51 1.75 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.55 0.84 0.00 0.00 126 V 8.09 4.60 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 0.88 0.00 0.00 0.97 0.00 0.00 127 G 8.94 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 0.00 0.00 0.00 128 L 7.72 4.48 0.00 1.69 1.66 0.90 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 129 G 7.78 3.96 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 0.00 0.00 0.00 130 I 8.23 4.07 1.94 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.29 0.95 0.00 0.00 131 Q 7.87 4.32 0.00 2.23 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.53 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 132 G 7.90 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 Y 7.60 4.09 0.00 3.23 2.98 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 0.00 134 L 7.92 4.10 0.00 1.86 1.75 0.94 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.29 4.10 0.00 1.69 1.73 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 136 A 8.04 4.05 1.41 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 0.00 0.00 137 L 7.71 3.98 0.00 1.94 1.78 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 138 R 7.94 4.05 0.00 1.90 2.11 0.00 3.13 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 139 Y 8.06 4.09 0.00 3.15 3.15 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 0.00 140 L 7.91 4.11 0.00 1.90 1.73 1.04 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 141 A 7.59 4.11 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 0.00 142 E 7.46 4.45 0.00 1.74 1.74 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 2.18 2.21 0.00 143 H 7.22 4.61 0.00 2.64 2.91 0.00 5.97 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 V 8.37 3.74 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.