NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 S 4.2497 8.3344 115.4096 57.8727 64.4080 172.1634 *2 K 4.0211 8.1945 120.2831 56.1893 32.6013 174.6274 3 R 4.6573 8.4203 124.6836 54.3201 32.7436 174.7691 4 V 4.4625 8.0700 123.4101 60.0712 34.6116 174.3931 5 H 4.4357 8.7011 123.3859 55.3112 30.9320 175.8174 6 R 3.8783 8.3858 122.5708 59.6307 29.0564 178.6380 7 T 4.0475 7.8520 106.3408 63.3213 68.9514 174.3538 8 D 4.5379 7.9726 121.0597 54.3861 41.2551 176.1022 9 V 4.1046 7.3679 120.3435 60.3116 32.1279 175.3005 10 K 3.7668 8.6490 128.7183 56.7011 32.3660 175.8034 11 A 4.3462 8.4847 128.4388 52.0136 19.1055 176.2707 12 E 4.7738 8.7845 121.3889 53.9823 33.6003 175.7802 13 I 4.2759 8.3998 123.1192 61.5766 37.8075 176.6983 14 V 3.8349 8.3605 119.4429 61.5068 31.9999 176.9893 15 R 4.1369 8.4002 120.9599 57.9210 30.8736 176.9084 16 E 3.9468 8.2112 119.6292 55.5313 29.8632 174.2243 17 P 4.3191 0.0000 0.0000 64.1370 31.7996 176.8805 18 G 2.8781 8.5785 109.1793 45.8315 0.0000 173.5179 19 A 4.5130 7.3934 122.1083 51.7884 19.3124 177.3790 20 K 4.7334 8.7533 120.0159 55.8582 35.6565 176.6898 21 E 4.1954 9.0349 120.9316 57.8168 27.3938 173.7389 22 T 5.2883 7.9821 114.3950 62.1050 71.9125 173.4907 23 T 5.2827 9.0208 116.5864 60.2106 72.5972 172.5471 24 H 4.9737 9.3071 116.7047 54.0548 32.6915 172.5125 25 R 4.5778 8.6386 118.6789 54.1476 33.2031 175.1640 26 K 4.2844 8.5191 124.5156 56.4440 31.7022 176.9875 27 L 4.2620 8.5501 125.8906 56.6991 42.8414 177.7860 28 I 4.7513 7.9237 119.5616 59.6228 40.9233 174.6580 29 D 5.1646 9.3059 125.6932 52.1995 44.9390 175.7173 30 T 4.6558 8.3934 109.3186 63.6689 68.4496 174.5757 31 P 4.2018 0.0000 0.0000 65.0152 31.4003 176.6178 32 D 4.4731 8.0583 116.3061 54.6278 40.8111 177.2724 33 G 3.8322 8.1672 108.4420 44.6401 0.0000 173.8800 34 A 3.8728 7.7784 123.9767 52.4623 18.5346 177.3705 35 D 4.8320 8.4364 120.4283 52.8702 40.9517 176.2742 36 R 4.6502 7.5913 117.8301 57.3278 33.7746 174.9828 37 F 5.4714 7.1377 110.3841 55.5550 41.2815 174.0735 38 V 4.6866 9.2860 112.6163 59.6049 36.6375 174.3084 39 L 5.1776 8.9188 123.4821 53.8433 44.8983 175.2611 40 T 4.9750 9.0634 122.7714 61.7027 72.4927 172.4758 41 E 4.8611 8.7557 126.8847 54.8066 31.5820 174.6443 42 F 5.0454 8.8438 125.1751 55.4922 42.7562 173.9302 43 E 5.0040 9.0008 121.9986 54.5411 32.8965 174.3340 44 V 4.7072 8.9198 127.6255 61.6294 33.1240 175.7129 45 S 5.0169 9.2045 125.1273 56.8682 64.2289 172.3852 46 P 4.9679 0.0000 0.0000 62.8098 31.6292 176.0005 47 N 4.3148 8.3612 116.5144 53.7583 36.7904 174.3646 48 G 4.3627 7.7296 103.9894 44.9802 0.0000 173.3846 49 S 5.5382 8.2463 111.7602 57.8851 66.4975 175.0287 50 T 5.1009 8.7947 111.6339 58.9104 71.5788 171.8558 51 P 2.9700 0.0000 0.0000 61.6614 31.9542 174.2662 52 P 4.4428 0.0000 0.0000 63.5218 32.5803 174.9730 53 H 5.4156 8.8896 118.5170 54.3481 32.8033 171.7923 54 F 5.1563 8.9650 112.9643 55.7007 41.5078 173.2508 55 H 4.8479 8.0351 114.1608 53.9618 31.8378 172.8095 56 E 4.7909 8.4104 118.3684 55.0149 29.2259 177.3394 57 W 5.2854 7.3202 114.5426 55.2179 31.1011 175.4874 58 E 4.2697 9.2102 122.9269 56.6858 30.3740 175.5522 59 H 5.2189 8.6312 118.3440 54.3023 31.6517 173.3421 60 E 5.3334 8.8897 122.2740 54.7509 32.2222 175.1090 61 I 5.2954 8.9767 124.7819 59.6788 41.4248 173.8728 62 Y 5.0458 9.1097 126.5395 55.8524 42.1108 174.1288 63 V 4.1323 8.1750 127.4940 62.5298 32.1534 176.2615 64 L 4.4760 8.9369 128.7689 57.0926 42.6637 177.0737 65 E 4.5137 8.2059 117.5953 56.1559 32.8036 176.6839 66 G 4.4053 9.8248 113.3227 45.9168 0.0000 171.6830 67 S 4.9224 7.6607 113.2268 57.8191 66.5079 174.0235 *69 G 3.6540 8.4527 106.1739 46.0179 0.0000 171.8430 70 L 4.4571 8.8443 128.4660 53.9092 43.0159 175.6799 71 V 3.8955 8.6778 128.5788 62.7689 32.7352 175.0620 72 L 5.1135 8.9276 128.4504 51.7222 41.9115 175.1221 73 P 4.2074 0.0000 0.0000 65.6319 31.7395 178.3505 74 D 4.4688 7.9363 115.0057 55.9883 39.5748 176.6872 75 Q 4.3925 8.2929 118.0522 54.6678 29.2573 176.1130 76 G 4.1998 7.8777 105.2719 45.8940 0.0000 173.3608 77 R 4.8265 7.3213 114.0232 55.0471 33.5924 173.4393 78 T 4.9690 9.1286 115.6470 61.6568 71.9311 172.8354 79 E 4.6307 8.9180 127.5724 54.1080 31.8213 174.5054 80 E 4.4193 8.8405 128.6148 56.3224 30.4693 176.0432 81 V 4.6543 7.8951 118.8931 59.0013 36.0817 174.9588 82 G 4.4554 8.4913 109.6329 43.4703 0.0000 170.3723 83 P 4.4958 0.0000 0.0000 63.8245 31.6217 177.3319 84 G 3.8438 8.4450 109.4407 44.9257 0.0000 172.8340 85 E 4.4684 7.2210 118.6301 54.5733 31.2347 174.9704 86 A 4.9420 8.4834 126.4827 50.9841 20.5812 176.3033 87 I 4.6141 8.9437 122.6417 59.3493 40.9571 174.1849 88 F 5.3481 8.9827 128.5925 56.5053 41.5739 174.5014 89 I 4.1593 7.9153 126.9669 58.3377 39.6224 173.5303 90 P 4.2286 0.0000 0.0000 61.9069 32.7741 176.0588 91 R 4.0141 8.4277 119.1253 58.4801 30.2014 177.1290 92 G 3.9670 8.7181 111.9397 44.9323 0.0000 172.9400 93 E 4.0543 7.3693 120.9109 55.0520 29.8879 175.0030 94 P 4.8249 0.0000 0.0000 63.2459 32.3232 175.3403 95 H 5.1051 8.0555 115.2892 56.1517 32.2059 172.9257 96 G 4.2236 7.7113 106.0088 45.5134 0.0000 171.2438 97 F 5.6849 8.7684 118.0399 55.7853 42.6240 175.2122 98 V 5.3159 8.4837 119.8414 61.0150 34.5560 173.5201 99 T 4.8683 9.0853 112.3951 60.3816 72.5871 174.1727 100 G 4.1060 9.1011 111.3017 44.8856 0.0000 172.2154 101 P 4.4784 0.0000 0.0000 64.3026 31.4167 177.6112 102 G 4.0694 8.0663 104.7182 44.8573 0.0000 172.0463 103 Q 4.6410 7.9897 121.1970 54.2730 31.8263 174.2634 104 T 5.2332 8.5503 122.0936 62.0204 72.9871 172.5031 105 C 5.3209 9.2156 124.2055 57.8942 35.6008 172.3903 106 R 5.2387 9.2211 126.8698 54.5206 32.3176 174.3468 107 F 5.5274 8.8172 120.4583 55.5431 41.9280 173.2858 108 L 5.0096 9.3570 121.5145 54.0711 43.5580 175.7531 109 V 4.9958 9.3831 122.9272 61.2169 34.5193 174.1266 110 V 4.9896 9.4338 127.9778 61.4966 33.4888 174.3771 111 A 5.1879 8.9398 128.3469 49.4242 23.1396 173.4788 112 P 4.9548 0.0000 0.0000 62.9305 31.9318 176.4478 113 C 4.2080 8.5539 118.2346 62.3320 28.7341 174.2437 114 E 4.2464 8.0220 118.5536 55.1873 29.1206 176.2211 115 R 3.5714 7.7819 123.5375 52.4902 30.7092 173.5714 116 P 4.5106 0.0000 0.0000 61.3069 32.2543 175.1704 117 P 4.3829 0.0000 0.0000 63.0464 31.6752 177.0471 118 V 4.0223 8.1407 114.9348 61.1793 33.0196 175.4556 119 R 4.3578 8.4839 121.9765 54.1659 32.5769 175.3929 120 N 4.7090 8.4881 121.4332 53.1940 38.8625 175.5313 121 V 3.6763 8.5384 124.0051 65.3193 32.2951 176.1015 122 F 4.7796 7.8576 119.5118 55.6152 39.6695 174.9684 123 L 4.4745 8.4076 126.6011 53.9010 42.5714 176.4826 124 S 4.6178 7.9480 115.0175 57.6565 65.2425 175.3405 125 E 3.9509 8.9288 122.8594 59.1601 29.8213 176.6216 126 D 4.5715 8.0116 120.6425 53.0527 40.9610 174.6454 127 P 4.4250 0.0000 0.0000 64.9568 31.9156 177.1377 128 Y 4.3565 8.5850 116.6471 58.3517 38.6235 176.8772 129 E 3.9774 8.3898 122.3294 58.9586 30.0278 178.1814 130 Y 3.9371 8.2777 116.4781 60.0107 37.7312 177.8708 131 T 3.5594 6.4219 109.4874 63.2189 68.7098 174.1328 132 Q 4.2828 7.2913 120.2278 53.7723 27.9598 172.8706 *134 P 4.5461 0.0000 0.0000 63.1440 33.6540 178.9631 135 E 4.0439 8.2943 116.2702 59.5044 29.4837 178.5044 136 Y 4.1582 7.5665 119.1238 60.9290 38.8465 177.6208 137 T 3.6541 7.8958 110.3321 64.5740 68.8867 176.1790 138 S 4.2134 8.1013 117.2086 60.8749 62.9076 176.2043 139 L 3.9291 7.3247 122.2661 57.8620 41.5205 179.1611 140 L 3.9472 7.0412 116.3129 54.7089 41.5298 177.0934 141 E 4.1735 7.5614 123.1645 56.8413 30.2273 174.2192 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 S 8.33 4.25 0.00 3.97 3.95 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 *2 K 8.19 4.02 0.00 1.75 1.77 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.42 7.81 3 R 8.42 4.66 0.00 1.75 1.74 0.00 3.41 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.00 4 V 8.07 4.46 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 0.75 0.00 0.00 0.92 0.00 0.00 5 H 8.70 4.44 0.00 3.25 3.36 0.00 5.89 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 R 8.39 3.88 0.00 1.95 2.09 0.00 2.95 0.00 0.00 3.34 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.53 0.00 7 T 7.85 4.05 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 1.27 0.00 0.00 8 D 7.97 4.54 0.00 2.82 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 V 7.37 4.10 2.12 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 0.73 0.00 0.00 0.89 0.00 0.00 10 K 8.65 3.77 0.00 1.72 1.68 0.00 1.81 0.00 0.00 1.85 0.00 0.00 3.02 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.43 7.81 11 A 8.48 4.35 1.19 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 0.00 0.00 12 E 8.78 4.77 0.00 1.75 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 2.30 2.32 0.00 13 I 8.40 4.28 1.92 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 1.39 0.50 0.98 0.00 0.00 14 V 8.36 3.83 2.17 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 0.85 0.00 0.00 1.07 0.00 0.00 15 R 8.40 4.14 0.00 1.84 2.01 0.00 3.25 0.00 0.00 3.18 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 16 E 8.21 3.95 0.00 2.07 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 2.36 2.37 0.00 17 P 0.00 4.32 0.00 2.02 1.93 0.00 3.76 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 2.01 2.08 0.00 18 G 8.58 2.88 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 0.00 0.00 0.00 0.00 0.00 0.00 19 A 7.39 4.51 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 20 K 8.75 4.73 0.00 1.90 1.79 0.00 1.93 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.71 1.57 7.81 21 E 9.03 4.20 0.00 2.22 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 2.38 2.51 0.00 22 T 7.98 5.29 4.37 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 1.40 0.00 0.00 23 T 9.02 5.28 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 24 H 9.31 4.97 0.00 2.07 2.45 0.00 5.20 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 R 8.64 4.58 0.00 1.54 1.72 0.00 3.03 0.00 0.00 3.43 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.44 0.00 26 K 8.52 4.28 0.00 1.55 1.73 0.00 1.69 0.00 0.00 1.86 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.35 7.81 27 L 8.55 4.26 0.00 1.62 1.69 0.89 0.77 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 28 I 7.92 4.75 1.89 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 1.11 0.71 0.89 0.00 0.00 29 D 9.31 5.16 0.00 2.65 2.43 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 30 T 8.39 4.66 4.19 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 1.19 0.00 0.00 31 P 0.00 4.20 0.00 2.03 2.13 0.00 3.64 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.08 0.00 32 D 8.06 4.47 0.00 2.75 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 33 G 8.17 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 34 A 7.78 3.87 1.19 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 0.00 0.00 35 D 8.44 4.83 0.00 2.68 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 36 R 7.59 4.65 0.00 1.58 2.05 0.00 3.19 0.00 0.00 3.42 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.51 0.00 37 F 7.14 5.47 0.00 3.08 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 38 V 9.29 4.69 2.26 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 0.64 0.00 0.00 1.02 0.00 0.00 39 L 8.92 5.18 0.00 1.82 1.53 1.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 40 T 9.06 4.97 4.44 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 0.75 0.00 0.00 41 E 8.76 4.86 0.00 1.98 1.66 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 2.12 2.22 0.00 42 F 8.84 5.05 0.00 1.51 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 0.00 0.00 0.00 0.00 43 E 9.00 5.00 0.00 1.96 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 2.23 2.46 0.00 44 V 8.92 4.71 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 1.11 0.00 0.00 1.14 0.00 0.00 45 S 9.20 5.02 0.00 3.91 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 46 P 0.00 4.97 0.00 1.96 2.12 0.00 3.92 0.00 0.00 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.00 0.00 47 N 8.36 4.31 0.00 2.93 2.91 0.00 0.00 6.66 8.50 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 48 G 7.73 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 49 S 8.25 5.54 0.00 4.19 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 50 T 8.79 5.10 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 1.42 0.00 0.00 51 P 0.00 2.97 0.00 1.68 1.33 0.00 3.69 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.03 0.00 52 P 0.00 4.44 0.00 2.15 2.04 0.00 3.35 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.28 0.00 53 H 8.89 5.42 0.00 3.09 3.19 0.00 5.23 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 F 8.96 5.16 0.00 3.01 2.89 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 55 H 8.04 4.85 0.00 2.67 3.06 0.00 5.64 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 E 8.41 4.79 0.00 2.10 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 0.00 2.33 2.29 0.00 57 W 7.32 5.29 0.00 3.39 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 58 E 9.21 4.27 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.61 0.00 59 H 8.63 5.22 0.00 3.03 3.25 0.00 5.56 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.89 5.33 0.00 1.98 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 2.56 2.52 0.00 61 I 8.98 5.30 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 1.28 0.99 1.02 0.00 0.00 62 Y 9.11 5.05 0.00 3.13 2.81 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 63 V 8.17 4.13 2.13 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 0.89 0.00 0.00 0.83 0.00 0.00 64 L 8.94 4.48 0.00 1.84 1.81 0.99 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 65 E 8.21 4.51 0.00 2.10 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 66 G 9.82 4.41 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 0.00 67 S 7.66 4.92 0.00 3.95 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 *69 G 8.45 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 L 8.84 4.46 0.00 1.70 1.69 0.68 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 71 V 8.68 3.90 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.95 0.00 0.00 72 L 8.93 5.11 0.00 1.61 1.47 0.92 0.73 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 73 P 0.00 4.21 0.00 2.04 2.03 0.00 3.59 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.19 0.00 74 D 7.94 4.47 0.00 2.71 2.62 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 75 Q 8.29 4.39 0.00 2.13 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.26 0.00 0.00 0.00 0.00 0.00 2.23 2.21 0.00 76 G 7.88 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 0.00 0.00 0.00 0.00 77 R 7.32 4.83 0.00 2.00 1.97 0.00 2.68 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.57 0.00 78 T 9.13 4.97 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 1.19 0.00 0.00 79 E 8.92 4.63 0.00 1.97 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 2.17 2.19 0.00 80 E 8.84 4.42 0.00 2.01 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 0.00 2.27 2.33 0.00 81 V 7.90 4.65 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 1.05 0.00 0.00 0.85 0.00 0.00 82 G 8.49 4.46 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 0.00 83 P 0.00 4.50 0.00 2.05 2.17 0.00 3.72 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.29 0.00 84 G 8.44 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 85 E 7.22 4.47 0.00 1.94 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.40 0.00 86 A 8.48 4.94 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 87 I 8.94 4.61 1.90 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.67 0.90 0.00 0.00 88 F 8.98 5.35 0.00 2.96 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 89 I 7.92 4.16 1.60 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.71 0.61 0.00 0.00 90 P 0.00 4.23 0.00 2.03 2.19 0.00 3.43 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.96 0.00 91 R 8.43 4.01 0.00 1.84 1.97 0.00 3.27 0.00 0.00 3.34 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.80 0.00 92 G 8.72 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 93 E 7.37 4.05 0.00 1.84 1.81 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 2.20 2.22 0.00 94 P 0.00 4.82 0.00 1.84 1.86 0.00 3.60 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.60 0.00 95 H 8.06 5.11 0.00 2.83 3.15 0.00 5.56 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 96 G 7.71 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 0.00 0.00 0.00 0.00 97 F 8.77 5.68 0.00 3.02 2.88 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 0.00 0.00 0.00 98 V 8.48 5.32 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 0.71 0.00 0.00 1.10 0.00 0.00 99 T 9.09 4.87 4.46 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 1.39 0.00 0.00 100 G 9.10 4.11 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 0.00 0.00 0.00 101 P 0.00 4.48 0.00 2.06 2.14 0.00 3.71 0.00 0.00 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.17 0.00 102 G 8.07 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 0.00 0.00 0.00 103 Q 7.99 4.64 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.15 6.78 0.00 0.00 0.00 0.00 0.00 2.53 2.37 0.00 104 T 8.55 5.23 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 1.31 0.00 0.00 105 C 9.22 5.32 0.00 3.15 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 0.00 106 R 9.22 5.24 0.00 1.93 1.80 0.00 3.27 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.51 0.00 107 F 8.82 5.53 0.00 3.28 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 0.00 108 L 9.36 5.01 0.00 1.79 1.74 0.94 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 109 V 9.38 5.00 2.49 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 1.30 0.00 0.00 1.02 0.00 0.00 110 V 9.43 4.99 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 0.94 0.00 0.00 1.02 0.00 0.00 111 A 8.94 5.19 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 0.00 112 P 0.00 4.95 0.00 2.21 2.16 0.00 3.63 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.28 0.00 113 C 8.55 4.21 0.00 2.88 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 0.00 114 E 8.02 4.25 0.00 1.92 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 0.00 2.23 2.24 0.00 115 R 7.78 3.57 0.00 1.14 0.66 0.00 2.21 0.00 0.00 2.67 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.06 0.00 116 P 0.00 4.51 0.00 2.28 2.12 0.00 3.91 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.08 0.00 117 P 0.00 4.38 0.00 2.05 2.04 0.00 3.71 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 118 V 8.14 4.02 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 0.54 0.00 0.00 0.91 0.00 0.00 119 R 8.48 4.36 0.00 0.67 0.97 0.00 2.99 0.00 0.00 2.78 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.18 0.00 120 N 8.49 4.71 0.00 2.55 2.82 0.00 0.00 7.03 7.68 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 0.00 121 V 8.54 3.68 1.64 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 -0.27 0.00 0.00 0.89 0.00 0.00 122 F 7.86 4.78 0.00 3.10 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 0.00 123 L 8.41 4.47 0.00 1.67 1.62 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 124 S 7.95 4.62 0.00 4.01 3.91 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 0.00 125 E 8.93 3.95 0.00 1.98 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 2.31 2.31 0.00 126 D 8.01 4.57 0.00 2.77 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.42 0.00 2.20 2.25 0.00 3.85 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 128 Y 8.58 4.36 0.00 3.10 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 0.00 129 E 8.39 3.98 0.00 2.18 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 2.31 2.26 0.00 130 Y 8.28 3.94 0.00 2.53 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 0.00 131 T 6.42 3.56 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 0.26 0.00 0.00 132 Q 7.29 4.28 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.26 0.00 *134 P 0.00 4.55 0.00 2.24 2.17 0.00 3.88 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 135 E 8.29 4.04 0.00 2.05 2.35 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 2.49 2.53 0.00 136 Y 7.57 4.16 0.00 2.13 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 T 7.90 3.65 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 1.26 0.00 0.00 138 S 8.10 4.21 0.00 4.07 4.21 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 0.00 139 L 7.32 3.93 0.00 1.51 1.70 1.13 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 140 L 7.04 3.95 0.00 1.68 1.60 0.77 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 141 E 7.56 4.17 0.00 2.09 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 0.00 2.22 2.38 0.00 * Residues marked with a * may have inaccurate shift predictions.