NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4482 8.3344 115.4143 58.6059 63.7832 173.8533 3 S 4.4862 8.5287 117.8241 56.3653 63.3138 173.2367 4 T 4.4340 8.0438 108.9491 61.7114 70.6723 173.2643 5 V 4.5261 8.5536 122.6508 61.0649 34.6835 174.9760 6 S 5.0533 8.7877 123.3510 58.8532 63.4503 173.6373 7 T 5.0700 8.9847 113.5957 58.7484 71.1729 174.8268 8 L 3.6958 8.5075 119.9702 56.9531 41.5500 177.5361 9 Y 4.6739 8.1719 113.8993 56.4275 40.8804 177.6788 10 G 4.1208 6.8580 108.1211 46.4278 0.0000 170.9529 11 E 5.2777 8.6737 122.8496 54.7219 32.3098 176.0189 12 V 4.7257 8.5622 115.4490 59.2415 36.6623 174.9172 13 E 4.4075 8.7674 122.2908 55.7081 30.1562 176.5397 14 P 4.2983 0.0000 0.0000 66.1052 31.2593 178.9098 15 S 4.1597 8.0992 113.5641 61.1959 62.7132 176.1866 16 L 3.9850 7.9531 124.0383 57.9573 41.7792 178.9032 17 L 3.9639 7.8527 118.5334 57.6455 41.3682 178.9444 18 E 3.9639 7.9372 117.7834 59.5818 29.8613 179.3137 19 I 3.8428 7.6604 118.8338 64.4364 37.1050 178.4166 20 A 4.0037 8.3123 121.9391 55.0785 17.9297 179.6684 21 K 3.8699 8.2740 116.6551 58.8401 32.1636 177.6168 22 Q 4.4615 7.4922 116.5901 55.4628 29.3948 175.2606 23 I 4.0772 7.4007 118.8818 62.1584 37.5725 175.8220 24 K 4.6154 9.3191 123.3537 56.0493 34.8250 175.5664 25 L 5.1050 7.7717 122.5207 53.3367 45.8015 174.1082 26 L 5.1280 9.0407 128.7829 53.4754 44.4731 174.7795 27 I 4.9249 8.9416 127.8017 59.9077 39.6647 174.6113 28 C 4.8966 8.7975 123.5727 57.7079 31.7849 173.4888 29 D 4.9245 8.3116 122.4694 53.9355 41.7046 175.1633 30 V 4.2530 8.5632 119.7112 64.6860 32.6684 174.9248 31 D 4.6356 7.8300 120.3829 55.8060 41.4691 177.0628 32 G 4.1209 8.9055 111.7974 46.3567 0.0000 173.4386 33 V 4.1428 7.6503 116.4011 64.5341 34.2686 177.6199 34 F 4.1532 8.2747 118.0942 59.4360 39.4888 175.7935 35 S 5.3167 8.1767 113.9090 55.7946 65.0990 173.5569 36 D 5.0656 7.9339 116.9241 52.6897 39.0807 177.5079 37 G 3.9731 8.2150 109.0514 45.4699 0.0000 174.1441 38 L 4.2569 7.5498 119.1410 53.9522 42.5817 176.0734 39 I 4.5067 7.9616 122.6425 59.9159 39.2163 175.2722 40 Y 4.1817 8.8164 125.3524 57.0431 40.1339 174.7868 *42 G 4.0363 8.3172 106.8867 46.1714 0.0000 173.9558 43 N 4.5486 8.9107 116.8977 55.6054 38.7217 176.3045 44 Q 4.3647 8.3920 116.0620 55.4876 28.7481 176.4274 45 G 3.9330 8.1662 105.3884 45.6612 0.0000 174.3339 46 E 4.1098 7.9555 118.1830 56.6507 30.0119 175.9924 47 E 5.0344 8.4649 121.5532 54.7904 32.9276 174.1874 48 L 4.9993 8.9901 125.5129 53.0196 45.8908 175.1326 49 K 4.9815 8.3415 120.2121 55.3180 35.4775 175.1716 50 T 4.4830 8.2148 114.3432 59.7981 71.0057 173.4634 51 F 5.2089 8.2705 120.7058 56.0720 43.1968 173.6352 52 H 4.8663 8.7440 122.5141 54.7109 30.9614 176.1892 53 T 4.0083 8.3064 117.0036 65.0550 68.2040 176.6652 54 R 3.8789 8.3034 119.9315 58.5827 30.2170 178.4035 55 D 4.6151 8.3162 119.1879 57.0637 40.8138 178.5656 56 G 3.8234 7.8180 106.0932 48.2680 0.0000 174.9198 57 Y 4.1381 8.2854 121.8867 60.1798 38.7611 178.3931 58 G 3.6198 7.9982 105.3257 47.7822 0.0000 175.8372 59 V 3.6358 7.6401 119.7952 65.6419 31.6630 177.8202 60 K 4.0110 7.8286 116.5895 59.3599 32.2395 178.8087 61 A 4.0584 7.6993 120.8183 55.0041 18.2435 180.4117 62 L 4.0569 7.7704 113.9850 55.9347 41.3099 178.9101 *64 N 4.5854 8.1493 118.2185 53.2835 40.3092 175.3012 65 A 4.1445 7.7018 117.9636 52.5012 18.7104 177.9936 66 G 3.8965 8.2647 103.7860 45.3000 0.0000 173.1156 67 I 4.3902 7.3652 120.4610 60.0540 38.0456 175.9329 68 E 4.3334 9.0252 126.8291 56.3562 30.8059 175.8822 69 I 5.1563 8.3022 122.2425 59.6570 40.5454 174.6521 70 A 5.0551 8.8637 126.2736 50.4136 23.2855 174.7289 71 I 5.0565 8.9224 119.7277 59.5832 41.0130 174.9741 72 I 5.1116 8.8546 126.4698 59.9694 40.5540 174.3810 73 T 4.7044 9.4685 121.7845 60.3191 70.5653 174.9527 74 G 3.8400 8.9110 115.1109 47.8512 0.0000 174.4814 75 R 4.3550 7.7289 118.7069 55.3495 31.2924 175.0530 76 R 5.0834 8.1681 118.3685 54.0805 32.8614 174.6466 77 S 4.7200 9.1027 119.0993 55.9455 67.5309 175.0413 78 Q 3.9394 8.7250 123.8536 59.1725 28.7248 178.4476 79 I 3.7202 7.8970 120.7145 64.6994 36.9696 178.2078 80 V 3.5952 7.5528 116.9871 65.8952 31.4330 177.4810 81 E 4.0502 7.6294 117.3388 59.5134 29.6608 178.7619 82 N 4.4633 8.4174 116.6399 56.3200 38.6281 178.1425 83 R 3.4700 7.7837 116.3637 56.9564 29.5959 177.7169 *85 K 4.0631 8.0025 119.6606 55.8972 33.8470 177.5907 86 A 3.9248 7.7779 120.2506 55.1348 18.2527 178.3591 87 L 4.0843 7.7395 113.4749 55.2599 41.9458 177.7548 88 G 3.8100 8.0422 106.9042 46.0636 0.0000 173.2245 89 I 4.2053 7.5883 120.2980 59.9288 37.9814 175.8091 90 S 4.5461 8.5480 118.7803 58.6025 64.8308 174.4761 91 L 4.3620 7.6316 121.7420 53.4199 40.9658 173.8944 92 I 4.6298 7.7338 121.7867 59.4619 39.9696 174.4170 93 Y 4.4903 9.2334 126.1889 56.5780 39.8221 175.3237 94 Q 4.8663 8.6900 122.8362 53.9960 32.0835 175.4228 95 G 3.8152 8.6010 106.1225 46.8934 0.0000 174.3205 96 Q 4.4175 8.0981 120.4155 54.2090 28.3431 176.6002 97 D 4.3069 8.6800 124.3303 56.0475 41.0893 176.1720 98 D 4.7522 7.7233 118.8876 51.9790 41.2546 176.2012 99 K 3.9166 8.2884 126.5549 58.7045 32.0938 179.0939 100 V 3.3589 7.6220 118.6512 65.9031 31.4372 177.8977 101 Q 3.8403 8.6891 118.0591 58.6382 28.4863 178.4115 102 A 3.6804 7.3946 121.6522 55.2142 18.3475 178.8931 103 Y 4.0569 7.8721 117.9410 61.2404 38.7923 178.1118 104 Y 4.0618 7.9439 117.5906 60.9846 37.8869 178.0671 105 D 4.3215 8.0350 119.0089 57.3006 41.2721 178.2234 106 I 3.7180 7.6404 120.3765 64.6802 37.0530 178.0306 107 C 3.9601 7.8767 117.4227 63.1050 27.7101 176.4089 108 Q 3.9601 7.8851 118.1942 58.5879 28.3067 178.6814 109 K 4.1193 8.0230 118.8405 59.4852 32.3075 178.9184 110 L 4.2248 8.1187 116.8020 54.1534 42.3908 176.5162 111 A 3.7657 8.1454 120.7782 53.2660 16.5302 177.0064 112 I 4.3690 7.6017 119.8616 60.2295 39.5009 176.4606 113 A 4.3078 8.3065 127.7135 51.2522 19.2592 176.5791 114 P 4.4929 0.0000 0.0000 65.3758 31.6823 179.0420 115 E 4.0805 8.2686 116.6485 58.7046 29.6970 177.3293 116 Q 4.6688 8.1915 116.7534 55.7190 30.4701 174.9690 117 T 5.1080 8.0976 116.9323 61.7579 71.6736 173.6273 118 G 4.5822 9.3668 111.9879 44.7190 0.0000 171.2630 119 Y 5.2852 8.9777 121.3023 55.8166 42.8475 173.7070 120 I 4.9228 8.4577 127.4882 59.7342 39.8008 175.0137 121 G 4.8645 9.4716 114.0584 44.5703 0.0000 171.9935 122 D 5.1530 9.0230 115.2444 52.7158 41.6819 174.4386 123 D 4.8105 8.7009 118.3691 51.7854 45.0358 175.6023 124 L 4.0945 8.3980 120.3304 57.5936 41.1812 179.4211 125 I 3.7621 7.7808 117.3822 63.8821 37.6845 177.0097 126 D 4.4151 8.2388 119.5391 56.2606 40.4397 178.3120 127 W 4.3342 7.8969 128.7522 60.0958 30.7801 175.7676 128 P 4.0381 0.0000 0.0000 65.0471 30.9183 176.7610 129 V 3.3697 6.7213 115.5163 63.0398 31.2586 177.1581 *131 E 3.3269 8.1807 120.4317 54.9202 30.8373 176.6522 132 K 4.0157 7.3845 116.6378 57.4027 32.4719 176.8798 133 V 4.4225 7.0409 110.5880 59.2175 34.1772 175.7253 134 A 4.0623 8.5503 123.2369 54.6477 18.6986 177.4707 135 L 4.5712 7.8282 119.2039 53.7274 43.9901 175.6853 136 R 4.8501 9.6458 126.6446 54.5289 32.4246 174.1284 137 V 4.9731 8.9962 124.8397 61.1770 33.9287 173.7511 138 C 5.3130 8.5653 128.0906 57.4849 33.9564 173.6848 139 V 4.0370 8.2887 118.3288 61.1046 32.1335 177.0529 140 A 3.9009 8.4081 126.5843 55.4401 18.1268 178.9505 141 D 4.7477 7.9057 111.9526 53.1086 39.7090 176.6673 142 G 3.8255 7.8484 109.5555 45.2692 0.0000 173.5110 143 H 4.0285 9.1029 119.4379 55.9021 30.2799 174.4374 144 P 4.2150 0.0000 0.0000 65.4953 30.8454 178.5808 145 L 3.8990 7.6614 118.2731 57.8029 42.3705 178.2067 146 L 3.8776 7.8951 119.7972 57.8453 41.8892 178.5456 147 A 3.9178 7.9613 120.7834 55.3767 18.1077 179.4607 148 Q 3.8534 7.7172 115.2776 58.9611 28.8295 178.8904 149 R 4.0143 7.3606 116.6059 56.0471 30.6745 176.9031 150 A 4.4539 6.9432 121.6173 52.1395 18.9592 176.8632 151 N 4.9257 8.5993 116.7202 53.1882 38.6875 174.5074 152 Y 4.8059 7.8067 121.6243 56.3577 42.4307 173.2159 153 V 4.6322 7.7779 126.8978 60.9231 33.0373 175.4474 154 T 3.7010 8.1569 118.7003 62.0398 68.9235 174.4792 155 H 4.3011 9.6762 120.7808 58.2046 29.2136 176.5022 156 I 4.2252 7.9538 119.8358 59.8587 38.2505 176.0828 157 K 4.2571 8.4491 123.6730 55.7697 32.7737 176.7584 158 G 4.2322 8.2636 110.1907 46.8361 0.0000 174.9122 159 G 4.3161 8.8816 111.3892 43.7768 0.0000 173.5831 160 H 4.7001 8.2522 114.4268 55.0864 30.0596 173.3320 161 G 3.6985 8.5335 107.4540 45.3268 0.0000 175.9429 162 A 3.8522 8.2512 123.9366 55.0569 18.2245 180.2746 163 V 3.3353 7.4840 116.1381 66.0304 31.5676 177.9615 164 R 3.8993 8.3597 118.5762 59.4463 29.7997 177.9810 165 E 3.5952 8.1712 119.1776 59.2258 29.5345 179.0898 166 V 3.5180 7.5906 117.8933 65.9737 31.5066 177.6537 167 C 4.0940 8.2375 116.6706 63.1430 27.9708 175.9557 168 D 4.4116 8.5155 120.6484 57.1091 40.3092 178.5095 169 L 3.9083 8.0648 121.0436 58.2096 42.0599 179.1960 170 I 3.6536 7.7697 119.5207 64.4336 37.0630 178.3934 171 L 3.9953 8.1194 119.9855 57.7778 41.2936 179.3781 172 Q 3.9346 8.5629 119.6342 59.2748 28.8183 178.2316 173 A 4.0270 7.9975 120.5626 55.0696 18.4749 178.9529 174 R 4.1360 7.8835 113.5592 55.7006 30.6467 176.0838 175 N 4.2972 8.2172 115.4740 55.0744 36.4725 174.4232 176 E 4.7127 8.4414 113.6714 55.5212 30.5744 176.4974 177 L 4.0525 7.7511 126.4679 55.7273 41.9645 174.5553 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 2 S 8.33 4.45 0.00 4.01 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 3 S 8.53 4.49 0.00 3.89 3.83 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 4 T 8.04 4.43 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 1.24 0.00 0.00 5 V 8.55 4.53 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 0.99 0.00 0.00 0.94 0.00 0.00 6 S 8.79 5.05 0.00 3.80 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 7 T 8.98 5.07 4.40 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 1.28 0.00 0.00 8 L 8.51 3.70 0.00 1.16 1.24 0.89 0.64 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 9 Y 8.17 4.67 0.00 2.92 2.93 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 10 G 6.86 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 0.00 0.00 0.00 11 E 8.67 5.28 0.00 1.88 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 2.23 2.27 0.00 12 V 8.56 4.73 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 0.94 0.00 0.00 0.96 0.00 0.00 13 E 8.77 4.41 0.00 1.93 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 2.44 2.29 0.00 14 P 0.00 4.30 0.00 2.27 2.33 0.00 3.72 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.04 0.00 15 S 8.10 4.16 0.00 4.08 4.18 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 16 L 7.95 3.98 0.00 1.83 1.81 1.04 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.85 3.96 0.00 1.88 1.69 0.92 0.93 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 18 E 7.94 3.96 0.00 2.16 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 2.35 2.52 0.00 19 I 7.66 3.84 2.03 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.11 0.92 0.00 0.00 20 A 8.31 4.00 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 21 K 8.27 3.87 0.00 1.84 1.90 0.00 1.78 0.00 0.00 1.63 0.00 0.00 3.13 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.60 1.66 7.81 22 Q 7.49 4.46 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.82 0.00 0.00 0.00 0.00 0.00 2.29 2.45 0.00 23 I 7.40 4.08 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.92 1.01 0.00 0.00 24 K 9.32 4.62 0.00 1.61 1.81 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.77 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.49 7.81 25 L 7.77 5.11 0.00 1.75 1.51 1.03 0.58 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 26 L 9.04 5.13 0.00 1.79 1.50 0.88 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 27 I 8.94 4.92 1.85 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.63 0.91 0.00 0.00 28 C 8.80 4.90 0.00 3.05 2.87 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 0.00 0.00 0.00 29 D 8.31 4.92 0.00 3.00 2.66 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 30 V 8.56 4.25 2.19 0.00 0.00 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 1.01 0.00 0.00 31 D 7.83 4.64 0.00 2.76 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 32 G 8.91 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 0.00 0.00 0.00 33 V 7.65 4.14 2.33 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 0.85 0.00 0.00 0.97 0.00 0.00 34 F 8.27 4.15 0.00 3.44 3.46 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 35 S 8.18 5.32 0.00 3.86 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 36 D 7.93 5.07 0.00 2.84 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 37 G 8.21 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 38 L 7.55 4.26 0.00 1.66 1.23 0.84 0.44 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 39 I 7.96 4.51 1.85 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.87 0.94 0.00 0.00 40 Y 8.82 4.18 0.00 2.97 2.90 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 *42 G 8.32 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 0.00 0.00 0.00 43 N 8.91 4.55 0.00 2.73 2.91 0.00 0.00 6.87 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 44 Q 8.39 4.36 0.00 2.21 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.02 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 45 G 8.17 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 46 E 7.96 4.11 0.00 1.98 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 2.33 2.38 0.00 47 E 8.46 5.03 0.00 1.94 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 2.23 2.38 0.00 48 L 8.99 5.00 0.00 1.44 1.36 0.72 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 49 K 8.34 4.98 0.00 1.68 1.39 0.00 1.47 0.00 0.00 1.78 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.99 1.36 7.81 50 T 8.21 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0.00 1.35 0.61 0.95 0.00 0.00 68 E 9.03 4.33 0.00 1.93 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 2.34 2.46 0.00 69 I 8.30 5.16 1.90 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 1.30 0.92 1.00 0.00 0.00 70 A 8.86 5.06 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 71 I 8.92 5.06 1.90 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.94 0.94 0.00 0.00 72 I 8.85 5.11 2.02 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 1.13 0.99 0.99 0.00 0.00 73 T 9.47 4.70 4.32 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 1.36 0.00 0.00 74 G 8.91 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 0.00 0.00 0.00 75 R 7.73 4.36 0.00 1.93 1.91 0.00 3.10 0.00 0.00 3.51 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.65 0.00 76 R 8.17 5.08 0.00 1.72 1.76 0.00 3.23 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 77 S 9.10 4.72 0.00 4.08 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 78 Q 8.73 3.94 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.86 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 79 I 7.90 3.72 1.97 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.60 1.18 0.00 0.00 80 V 7.55 3.60 2.27 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 0.81 0.00 0.00 1.07 0.00 0.00 81 E 7.63 4.05 0.00 2.10 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 2.48 0.00 82 N 8.42 4.46 0.00 2.83 2.82 0.00 0.00 6.73 7.29 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 83 R 7.78 3.47 0.00 1.22 1.23 0.00 2.77 0.00 0.00 2.44 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.87 0.00 *85 K 8.00 4.06 0.00 1.80 1.84 0.00 1.75 0.00 0.00 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7.39 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 7.87 4.06 0.00 2.99 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 0.00 104 Y 7.94 4.06 0.00 3.09 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 0.00 105 D 8.04 4.32 0.00 2.92 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 0.00 106 I 7.64 3.72 1.95 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.20 0.96 0.00 0.00 107 C 7.88 3.96 0.00 2.87 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 0.00 108 Q 7.89 3.96 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.95 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 109 K 8.02 4.12 0.00 1.90 1.90 0.00 1.84 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.62 7.81 110 L 8.12 4.22 0.00 1.67 1.73 0.96 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0.00 0.00 0.00 0.00 0.00 127 W 7.90 4.33 0.00 3.28 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.04 0.00 1.89 1.97 0.00 3.86 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.14 0.00 129 V 6.72 3.37 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 0.33 0.00 0.00 0.73 0.00 0.00 *131 E 8.18 3.33 0.00 1.16 1.18 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 1.91 2.09 0.00 132 K 7.38 4.02 0.00 1.60 1.81 0.00 1.69 0.00 0.00 1.94 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.32 7.81 133 V 7.04 4.42 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 0.49 0.00 0.00 0.90 0.00 0.00 134 A 8.55 4.06 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 0.00 135 L 7.83 4.57 0.00 1.83 1.57 0.93 0.69 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 0.00 136 R 9.65 4.85 0.00 1.96 2.02 0.00 3.32 0.00 0.00 3.12 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 137 V 9.00 4.97 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 1.16 0.00 0.00 1.09 0.00 0.00 138 C 8.57 5.31 0.00 3.07 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 0.00 139 V 8.29 4.04 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 0.61 0.00 0.00 1.06 0.00 0.00 140 A 8.41 3.90 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 0.00 141 D 7.91 4.75 0.00 2.77 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.85 3.83 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 0.00 0.00 0.00 143 H 9.10 4.03 0.00 3.20 3.21 0.00 5.60 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 P 0.00 4.22 0.00 1.99 1.99 0.00 3.34 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 1.91 1.90 0.00 145 L 7.66 3.90 0.00 1.63 1.75 0.79 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 146 L 7.90 3.88 0.00 1.80 1.77 1.07 1.34 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 0.00 147 A 7.96 3.92 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 0.00 148 Q 7.72 3.85 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.57 0.00 149 R 7.36 4.01 0.00 1.09 0.66 0.00 2.21 0.00 0.00 2.25 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.26 0.00 150 A 6.94 4.45 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 N 8.60 4.93 0.00 2.81 3.01 0.00 0.00 6.61 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 Y 7.81 4.81 0.00 3.02 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 0.00 153 V 7.78 4.63 1.84 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 0.72 0.00 0.00 0.83 0.00 0.00 154 T 8.16 3.70 4.32 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 1.18 0.00 0.00 155 H 9.68 4.30 0.00 3.17 3.46 0.00 5.65 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 I 7.95 4.23 1.85 0.00 0.00 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 1.47 0.85 0.95 0.00 0.00 157 K 8.45 4.26 0.00 1.83 1.75 0.00 1.64 0.00 0.00 1.80 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.51 1.42 7.81 158 G 8.26 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 0.00 0.00 0.00 0.00 159 G 8.88 4.32 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 0.00 0.00 0.00 160 H 8.25 4.70 0.00 3.28 3.26 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 0.00 161 G 8.53 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 A 8.25 3.85 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 0.00 163 V 7.48 3.34 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 0.81 0.00 0.00 0.09 0.00 0.00 164 R 8.36 3.90 0.00 2.24 2.12 0.00 3.33 0.00 0.00 3.43 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.98 0.00 165 E 8.17 3.60 0.00 1.52 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 2.15 1.47 0.00 166 V 7.59 3.52 2.16 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 0.95 0.00 0.00 1.07 0.00 0.00 167 C 8.24 4.09 0.00 3.21 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 0.00 168 D 8.52 4.41 0.00 3.08 2.91 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 0.00 0.00 0.00 169 L 8.06 3.91 0.00 1.62 1.70 0.69 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 170 I 7.77 3.65 1.97 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 1.64 0.50 0.96 0.00 0.00 171 L 8.12 4.00 0.00 1.71 1.74 0.95 1.05 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 0.00 172 Q 8.56 3.93 0.00 2.14 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 173 A 8.00 4.03 1.44 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 0.00 174 R 7.88 4.14 0.00 1.95 1.98 0.00 3.32 0.00 0.00 3.22 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 175 N 8.22 4.30 0.00 2.84 2.90 0.00 0.00 6.72 8.01 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 0.00 176 E 8.44 4.71 0.00 2.02 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 2.23 2.20 0.00 177 L 7.75 4.05 0.00 1.59 1.49 1.03 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.