NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.2937 8.3149 120.1305 56.2149 33.5486 174.4867 4 L 4.4793 8.9312 120.2723 52.9169 44.4431 175.4043 5 T 4.7618 9.1951 117.1776 59.7346 72.4650 171.7944 6 F 5.4107 8.8026 124.6814 55.0416 40.9943 175.8758 7 T 4.3825 8.7762 112.7345 61.0368 70.3355 174.0695 8 A 4.2256 8.4941 124.9025 52.1754 19.1792 176.9502 9 S 4.8469 8.0093 115.0314 56.3058 65.9364 175.2126 10 S 4.3037 8.7828 116.1852 60.1449 63.1540 174.1375 11 L 4.7205 7.6599 120.1684 52.1309 44.3093 175.1519 12 P 4.4790 0.0000 0.0000 61.5881 29.6877 175.2146 13 V 3.8520 7.2694 122.7149 63.5319 32.4476 176.3933 14 S 4.4661 9.0282 122.8987 57.3851 65.4888 175.1650 15 K 3.8604 8.3939 122.8937 59.5242 31.8127 179.0970 16 K 3.9061 7.8792 118.5670 59.1581 32.0028 178.8647 17 L 3.8806 7.4612 119.3106 58.3338 41.9413 178.5470 18 H 3.6855 7.6116 115.8439 58.7709 28.5705 177.8970 19 K 3.9660 8.2135 120.2069 59.2274 31.6488 178.8346 20 L 4.0448 7.9635 120.6737 58.4551 41.9072 179.2007 21 L 3.7870 7.9093 118.4802 57.6037 41.5436 179.3804 22 S 4.1559 8.3776 113.0834 61.0850 62.3795 176.3163 23 K 4.0317 8.1551 120.0352 59.2156 32.1525 178.6223 24 Q 4.2904 8.0569 115.8232 57.2537 28.9027 175.1631 25 L 4.6830 7.1881 115.0534 56.2143 45.0162 178.5119 26 T 3.8519 8.8061 114.6460 67.0513 68.5013 176.6309 27 A 4.0773 8.0283 120.5584 54.4569 18.4239 178.2511 28 H 4.7374 8.0300 112.7143 55.9316 29.7210 175.4537 29 L 4.6579 7.9403 118.4112 54.1996 44.0648 176.3089 30 L 4.7897 7.5763 117.3428 52.4787 44.2688 176.4021 31 S 4.5318 8.2675 115.7904 57.6327 64.6301 174.7023 32 S 4.1221 8.5835 117.2480 61.6267 62.6728 174.0661 33 E 3.9243 7.5056 119.6062 55.9235 27.8553 174.1484 34 A 3.5759 7.9847 128.3536 53.4090 14.8382 180.7744 35 L 2.9239 7.0005 119.5134 56.2127 46.2203 178.0126 36 T 3.9334 8.1649 117.8192 65.1063 68.7981 178.3358 37 T 4.3181 7.9070 110.7550 61.4439 69.0031 176.5463 38 S 4.9399 7.8689 116.4102 58.5700 63.8147 174.2087 39 R 4.5713 8.5167 120.2727 56.0590 32.7771 174.5449 40 Y 5.5400 8.0928 120.6290 56.1407 42.5489 173.2847 41 L 5.1119 8.8890 126.1140 52.7724 45.3552 175.4894 42 V 4.6845 8.2925 122.6639 60.9881 34.6170 174.0161 43 F 5.0963 9.5883 126.0917 55.6977 42.1033 174.0737 44 N 5.5270 9.2111 120.6010 51.5117 42.1687 173.2049 45 F 5.1963 9.5699 123.0281 55.6482 41.8744 174.6341 46 R 5.0737 9.2692 123.8466 54.6245 33.9187 173.2239 47 D 5.2089 9.0549 125.9107 53.1888 41.8142 177.2021 48 K 4.1996 9.6058 127.4306 58.9268 32.2362 178.2070 49 S 4.5055 8.3742 111.7220 58.2281 63.5837 173.8373 50 Y 4.5348 7.9104 123.7011 58.4739 39.0144 175.3925 51 S 4.4769 8.2005 119.9569 56.3852 66.4484 174.9321 52 A 3.5719 7.7509 123.8657 55.0555 18.3944 178.9612 53 D 4.2981 7.9087 114.3626 57.0981 41.3479 176.6996 54 E 4.5133 7.9475 114.2369 54.9897 31.6366 178.3740 55 G 3.6331 8.3981 108.2952 47.1812 0.0000 170.4688 56 G 4.0080 8.5727 107.7338 44.2985 0.0000 172.0934 57 F 4.3690 8.7027 119.5893 56.6294 39.8642 175.4981 58 H 3.8631 8.7294 122.3554 55.1432 29.3791 173.7330 59 P 4.8385 0.0000 0.0000 62.8580 32.7705 175.3712 60 V 5.2444 9.0512 122.0522 61.2535 35.1065 173.8241 61 E 5.5467 9.6101 127.5200 54.9173 33.1212 174.2205 62 M 5.3620 9.5474 124.8490 53.5608 36.7067 174.0856 63 A 5.0867 7.8267 122.8235 49.9431 22.7075 175.0884 64 I 5.3197 8.6410 113.9500 59.2236 41.5753 174.0295 65 C 5.5954 9.2359 118.3626 56.6149 33.2279 172.6909 66 Q 3.7989 8.7558 124.4094 55.4182 29.9762 175.9845 67 T 4.5277 8.6922 117.4621 60.3486 70.0865 175.4351 68 S 4.0676 8.5515 116.2140 61.3290 62.5808 175.6081 69 T 4.0824 7.1662 108.4420 61.4231 69.1475 175.4527 70 G 4.1032 7.5322 108.3550 44.4894 0.0000 173.8329 71 E 4.3954 7.6213 119.2789 55.9413 31.3263 175.5905 72 W 5.0713 8.9487 121.0047 55.1063 32.2299 174.9391 73 S 5.2463 8.9180 120.7478 55.8729 64.8551 173.6387 74 I 4.2014 8.4538 125.8568 61.8088 37.0583 175.6504 75 E 4.6680 9.5131 127.6295 58.7779 31.1984 175.8545 76 Y 5.6354 7.3121 114.3578 56.3935 41.5373 173.5643 77 I 5.2132 9.1464 121.0289 60.1334 41.0276 174.6302 78 T 4.8293 9.3447 123.5979 61.5531 72.5207 172.3386 79 D 5.3758 8.8908 124.7850 52.5906 43.6333 174.9544 80 F 5.3540 8.9001 123.8343 56.1787 42.1416 174.5653 81 A 4.6210 8.7724 120.6678 51.2031 22.9847 175.5804 82 Y 4.8427 8.7298 118.5365 58.4292 38.4167 176.1479 83 M 4.6651 8.7481 122.1230 55.8994 34.4236 175.7503 *86 Y 4.5715 7.3984 114.6650 57.5030 38.8692 173.2656 87 Y 4.0761 9.1437 123.0991 58.8917 39.1411 177.0263 88 P 4.4081 0.0000 0.0000 61.8461 29.5696 173.6984 89 E 4.6081 8.0635 124.7725 55.3068 31.2629 174.9211 90 L 4.1004 8.5888 128.5925 54.9119 42.8022 175.5503 91 E 4.9434 8.9819 125.0690 53.9583 33.6494 175.3497 92 R 3.5413 8.5731 122.4373 57.2144 30.3502 174.3794 93 N 4.8777 9.1918 124.1332 54.5831 41.3158 173.6176 94 L 5.0737 7.4356 119.2373 53.0945 45.8449 173.9644 95 D 4.7226 8.3687 124.9478 52.5196 44.8616 173.7409 96 F 4.8438 9.3179 125.5433 56.0909 41.0767 174.4454 97 D 5.2852 9.2378 126.4179 52.8599 40.8241 176.5603 98 F 4.3724 9.1337 124.8392 59.8804 39.2537 177.7142 99 R 4.1344 8.6486 117.4255 59.1947 30.0381 177.9008 100 V 3.8129 7.6461 114.1402 62.8737 32.6757 175.3260 101 G 3.7716 8.9499 107.5622 45.6956 0.0000 172.1315 102 Q 5.4150 7.6126 115.1888 54.4595 33.2583 175.1829 103 F 5.4990 9.6525 114.9435 55.1019 41.8174 173.2706 104 F 4.3215 8.5435 122.7996 55.9417 42.2268 173.8945 105 V 4.5074 6.6694 124.0700 60.3273 34.4221 174.5568 106 A 3.9002 8.2808 130.0361 54.1838 18.6719 178.5760 107 Y 3.7587 8.1459 117.7676 58.6113 37.1051 170.7769 108 R 4.1207 7.4716 117.3114 56.1198 31.7816 176.3569 109 G 3.5450 7.1506 103.2447 43.5236 0.0000 172.0034 110 W 4.8858 8.3086 118.2613 56.1054 30.6765 176.0298 111 L 4.7602 8.3151 120.9383 52.5117 46.0736 173.8576 112 P 4.7731 0.0000 0.0000 63.5050 31.7116 176.1004 113 M 4.3644 9.0639 122.3839 57.4796 33.0483 176.8463 114 Q 4.1771 8.1215 116.9813 57.3330 29.1767 176.6063 115 G 3.8152 8.7970 109.3143 46.3014 0.0000 173.6691 116 S 4.4327 7.8967 115.3087 57.1151 62.9465 174.7569 117 R 3.8868 8.5319 129.2737 59.2878 29.9645 178.0830 118 D 4.3514 8.2355 117.1181 57.5990 41.0997 178.1508 119 A 3.3533 7.6317 120.7799 54.9486 18.1334 179.7826 120 K 3.9560 7.9608 116.8785 59.6889 32.1361 179.5508 121 E 3.9979 8.3863 118.9581 59.0504 29.3078 179.0702 122 L 4.0554 8.4085 120.9582 58.2710 42.2197 178.4245 123 Y 3.6840 8.4679 119.8000 60.6656 38.7075 177.9749 124 R 3.8472 8.2645 119.2271 59.3021 30.2329 178.8564 125 L 3.8617 8.0073 119.8119 57.7883 42.0724 178.6313 126 W 4.0315 8.4288 128.7002 60.5409 30.6579 177.5772 127 E 2.8543 8.3098 119.5268 58.6703 29.0731 178.6137 128 S 3.8344 7.8307 113.2059 61.3920 62.4019 175.8472 129 N 3.7246 7.7198 118.9675 55.9383 38.2157 176.9561 130 F 3.7847 7.4275 122.1378 61.3510 39.2987 177.1679 131 L 3.5925 7.4510 118.0002 57.4551 41.3584 179.5660 132 A 3.7930 7.3004 120.4601 55.2547 18.3300 179.2666 133 Y 4.0192 7.4417 115.5545 61.1649 37.7201 178.9873 134 V 3.5889 7.8329 119.5286 66.1581 31.3092 177.8696 135 D 4.3520 7.7915 117.9496 56.7997 40.6248 177.5002 136 M 4.3289 7.4349 115.1494 54.5111 31.6092 175.6314 137 D 4.3651 7.7097 117.2776 55.7537 38.8428 175.3846 138 A 3.4404 7.6470 124.4041 54.2845 18.2345 178.0902 139 Y 4.6330 7.3877 113.6168 56.9669 37.7346 174.6730 140 N 4.8753 8.7149 121.6475 52.6399 38.6954 174.5141 141 E 4.6238 8.7294 121.4537 55.0137 32.8785 173.8782 142 I 4.8603 8.5849 127.4176 59.3737 39.7848 174.9534 143 A 4.7762 9.0364 128.3072 50.0220 22.4292 174.6418 144 I 4.5424 8.1809 120.5895 59.6134 40.0873 175.0564 145 T 4.5780 8.5955 123.2600 61.5839 71.0062 173.0521 146 A 5.1909 8.5410 127.8959 49.9757 21.5616 175.8680 147 Q 4.1748 8.9500 120.2628 56.6035 28.9948 174.7295 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 K 8.31 4.29 0.00 1.76 1.83 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.46 7.81 4 L 8.93 4.48 0.00 1.20 0.73 0.68 -0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 5 T 9.20 4.76 4.24 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 1.21 0.00 0.00 6 F 8.80 5.41 0.00 2.63 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 7 T 8.78 4.38 4.27 0.00 0.00 0.00 0.00 0.00 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 8 A 8.49 4.23 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.01 4.85 0.00 3.77 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 10 S 8.78 4.30 0.00 4.14 4.07 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 11 L 7.66 4.72 0.00 1.45 1.09 0.43 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 12 P 0.00 4.48 0.00 2.19 2.08 0.00 3.66 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 13 V 7.27 3.85 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 0.62 0.00 0.00 0.49 0.00 0.00 14 S 9.03 4.47 0.00 4.02 4.04 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.39 3.86 0.00 1.81 1.81 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.91 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.55 7.81 16 K 7.88 3.91 0.00 1.75 1.76 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.44 7.81 17 L 7.46 3.88 0.00 1.75 1.68 0.94 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 18 H 7.61 3.69 0.00 3.24 3.21 0.00 5.69 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 19 K 8.21 3.97 0.00 1.97 1.85 0.00 1.69 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.55 7.81 20 L 7.96 4.04 0.00 1.72 1.86 1.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 21 L 7.91 3.79 0.00 1.88 1.41 0.66 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.38 4.16 0.00 4.04 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 23 K 8.16 4.03 0.00 1.90 1.86 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.44 7.81 24 Q 8.06 4.29 0.00 2.29 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.86 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 25 L 7.19 4.68 0.00 2.03 1.75 1.10 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.81 3.85 4.38 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 1.10 0.00 0.00 27 A 8.03 4.08 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 28 H 8.03 4.74 0.00 3.14 3.35 0.00 5.80 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 29 L 7.94 4.66 0.00 1.58 1.65 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.58 4.79 0.00 1.58 1.51 0.79 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 31 S 8.27 4.53 0.00 3.98 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 32 S 8.58 4.12 0.00 3.92 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 33 E 7.51 3.92 0.00 1.92 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 2.33 2.26 0.00 34 A 7.98 3.58 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 7.00 2.92 0.00 2.08 2.10 0.81 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 36 T 8.16 3.93 4.24 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 1.21 0.00 0.00 37 T 7.91 4.32 4.24 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 1.21 0.00 0.00 38 S 7.87 4.94 0.00 4.23 3.99 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 39 R 8.52 4.57 0.00 1.76 1.86 0.00 2.99 0.00 0.00 3.21 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 40 Y 8.09 5.54 0.00 3.03 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 41 L 8.89 5.11 0.00 1.34 0.93 0.48 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 42 V 8.29 4.68 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 1.15 0.00 0.00 0.87 0.00 0.00 43 F 9.59 5.10 0.00 3.05 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 44 N 9.21 5.53 0.00 2.59 2.70 0.00 0.00 6.51 7.96 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 45 F 9.57 5.20 0.00 2.72 2.34 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 46 R 9.27 5.07 0.00 1.94 1.98 0.00 3.16 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 47 D 9.05 5.21 0.00 3.12 2.95 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 0.00 0.00 0.00 48 K 9.61 4.20 0.00 1.92 1.93 0.00 1.90 0.00 0.00 1.80 0.00 0.00 3.25 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.52 7.81 49 S 8.37 4.51 0.00 4.03 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 50 Y 7.91 4.53 0.00 3.12 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 51 S 8.20 4.48 0.00 3.82 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 52 A 7.75 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 D 7.91 4.30 0.00 2.50 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 54 E 7.95 4.51 0.00 1.91 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 2.19 2.15 0.00 55 G 8.40 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 56 G 8.57 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 57 F 8.70 4.37 0.00 2.90 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 58 H 8.73 3.86 0.00 3.19 3.46 0.00 5.72 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 P 0.00 4.84 0.00 2.16 2.03 0.00 3.60 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 60 V 9.05 5.24 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 0.86 0.00 0.00 1.27 0.00 0.00 61 E 9.61 5.55 0.00 2.36 2.24 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 2.59 2.60 0.00 62 M 9.55 5.36 0.00 1.97 1.99 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.53 0.00 63 A 7.83 5.09 0.55 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 64 I 8.64 5.32 2.14 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.93 1.15 0.00 0.00 65 C 9.24 5.60 0.00 3.19 3.42 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.76 3.80 0.00 0.93 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.87 0.00 0.00 0.00 0.00 0.00 1.74 1.25 0.00 67 T 8.69 4.53 4.16 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 1.14 0.00 0.00 68 S 8.55 4.07 0.00 3.95 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 69 T 7.17 4.08 4.20 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 1.17 0.00 0.00 70 G 7.53 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 71 E 7.62 4.40 0.00 1.99 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 2.33 2.26 0.00 72 W 8.95 5.07 0.00 2.61 2.92 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 73 S 8.92 5.25 0.00 3.82 3.82 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 74 I 8.45 4.20 1.41 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.54 0.75 0.00 0.00 75 E 9.51 4.67 0.00 2.01 2.28 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 2.61 2.66 0.00 76 Y 7.31 5.64 0.00 3.20 3.21 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 0.00 77 I 9.15 5.21 2.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.91 0.31 0.00 0.00 78 T 9.34 4.83 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 0.32 0.00 0.00 79 D 8.89 5.38 0.00 2.72 2.52 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 80 F 8.90 5.35 0.00 2.90 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 81 A 8.77 4.62 1.09 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 82 Y 8.73 4.84 0.00 3.06 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 83 M 8.75 4.67 0.00 2.26 2.24 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.75 0.00 *86 Y 7.40 4.57 0.00 3.12 3.03 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 87 Y 9.14 4.08 0.00 2.97 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 88 P 0.00 4.41 0.00 1.66 1.55 0.00 2.41 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.57 0.00 89 E 8.06 4.61 0.00 2.20 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 2.35 2.46 0.00 90 L 8.59 4.10 0.00 1.45 1.47 0.47 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 91 E 8.98 4.94 0.00 1.97 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 2.33 2.39 0.00 92 R 8.57 3.54 0.00 1.47 1.31 0.00 2.21 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.02 0.00 93 N 9.19 4.88 0.00 2.84 2.96 0.00 0.00 6.25 6.22 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 94 L 7.44 5.07 0.00 1.67 1.28 0.72 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 95 D 8.37 4.72 0.00 2.27 1.90 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 96 F 9.32 4.84 0.00 2.68 2.18 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 97 D 9.24 5.29 0.00 3.05 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 98 F 9.13 4.37 0.00 3.36 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 99 R 8.65 4.13 0.00 2.10 2.07 0.00 3.57 0.00 0.00 3.31 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.99 0.00 100 V 7.65 3.81 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 0.68 0.00 0.00 0.86 0.00 0.00 101 G 8.95 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 102 Q 7.61 5.42 0.00 2.45 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.78 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 103 F 9.65 5.50 0.00 2.86 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 0.00 104 F 8.54 4.32 0.00 1.51 1.58 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 0.00 105 V 6.67 4.51 1.72 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 0.78 0.00 0.00 0.84 0.00 0.00 106 A 8.28 3.90 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.15 3.76 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 0.00 108 R 7.47 4.12 0.00 1.59 1.79 0.00 3.05 0.00 0.00 3.08 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.65 0.00 109 G 7.15 3.55 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 0.00 110 W 8.31 4.89 0.00 3.16 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 0.00 111 L 8.32 4.76 0.00 0.91 1.47 0.89 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 112 P 0.00 4.77 0.00 2.03 2.06 0.00 3.73 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 2.08 2.14 0.00 113 M 9.06 4.36 0.00 2.12 2.28 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.44 0.00 114 Q 8.12 4.18 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.12 0.00 0.00 0.00 0.00 0.00 2.42 2.36 0.00 115 G 8.80 3.82 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 0.00 0.00 0.00 116 S 7.90 4.43 0.00 4.01 3.81 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.53 3.89 0.00 1.91 1.97 0.00 3.21 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 118 D 8.24 4.35 0.00 2.85 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 0.00 119 A 7.63 3.35 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.96 3.96 0.00 1.96 1.88 0.00 1.66 0.00 0.00 1.64 0.00 0.00 3.10 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.64 7.81 121 E 8.39 4.00 0.00 2.00 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 2.47 0.00 122 L 8.41 4.06 0.00 2.08 2.00 1.02 0.89 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 0.00 123 Y 8.47 3.68 0.00 2.59 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 0.00 124 R 8.26 3.85 0.00 1.94 1.97 0.00 3.21 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.98 0.00 125 L 8.01 3.86 0.00 1.84 1.93 0.90 0.86 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 0.00 126 W 8.43 4.03 0.00 3.57 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 E 8.31 2.85 0.00 1.36 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.23 0.00 128 S 7.83 3.83 0.00 3.86 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 0.00 129 N 7.72 3.72 0.00 2.63 2.22 0.00 0.00 6.73 7.64 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 0.00 130 F 7.43 3.78 0.00 1.67 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 L 7.45 3.59 0.00 1.47 1.48 0.78 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 132 A 7.30 3.79 1.14 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 0.00 0.00 133 Y 7.44 4.02 0.00 2.86 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 0.00 0.00 0.00 0.00 134 V 7.83 3.59 1.82 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 0.97 0.00 0.00 0.12 0.00 0.00 135 D 7.79 4.35 0.00 2.83 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 0.00 136 M 7.43 4.33 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.60 0.00 137 D 7.71 4.37 0.00 2.75 2.78 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 0.00 138 A 7.65 3.44 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 Y 7.39 4.63 0.00 3.16 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 0.00 140 N 8.71 4.88 0.00 2.75 2.93 0.00 0.00 5.96 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 0.00 141 E 8.73 4.62 0.00 2.08 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 2.21 2.29 0.00 142 I 8.58 4.86 1.82 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.90 0.37 0.00 0.00 143 A 9.04 4.78 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 0.00 144 I 8.18 4.54 1.65 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 0.90 0.58 0.32 0.00 0.00 145 T 8.60 4.58 4.20 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 1.21 0.00 0.00 146 A 8.54 5.19 1.14 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 0.00 0.00 147 Q 8.95 4.17 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.49 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 * Residues marked with a * may have inaccurate shift predictions.