NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6444 8.3649 120.5287 54.4799 42.3921 175.3666 3 T 3.8465 8.6585 121.1320 66.0271 68.8088 174.2157 4 R 3.8904 8.8103 119.7595 56.3527 31.3863 174.4381 5 P 4.3657 0.0000 0.0000 62.2386 32.2232 175.8431 6 R 4.4130 7.7482 119.1814 54.5694 31.9839 176.3047 7 F 4.8390 8.4618 118.4440 55.8539 41.5098 173.9637 8 L 4.8929 8.6268 127.6403 53.1102 44.1560 174.8965 9 E 5.1880 8.9028 125.6252 54.5624 32.4805 174.6306 10 Q 4.7368 9.2019 126.3945 54.4414 32.9402 173.7340 11 V 4.8300 8.5148 124.6180 61.0767 34.6871 174.4046 12 K 4.5799 9.1598 126.8881 55.0094 35.4772 174.8892 13 H 5.1083 9.0939 122.8944 54.6456 29.5620 173.9858 14 E 4.8306 8.7827 123.7192 54.7115 32.2266 174.8440 15 C 5.2888 8.6897 119.8561 55.5850 43.2336 172.9311 16 H 4.7229 9.2015 122.0349 53.9096 30.6796 173.5021 17 F 5.1325 8.5369 121.9368 55.7118 41.2895 175.1853 18 F 4.6427 8.6295 121.1511 56.5966 42.5792 173.9842 19 N 4.0907 9.9229 119.0220 54.9738 38.0520 175.3991 20 G 3.9834 8.0960 114.8939 46.7930 0.0000 172.3455 21 T 4.5558 8.5937 109.5763 60.8787 69.2736 174.5804 22 E 3.9918 8.5336 123.8622 59.6958 29.7871 176.5828 23 R 4.7151 7.9200 118.6718 54.7720 32.1367 174.6646 24 V 4.8273 8.3209 124.2119 61.2479 35.3511 174.0358 25 R 4.7486 9.1523 126.4981 54.4923 33.0928 173.6276 26 F 5.5961 9.5477 128.8372 56.3667 42.3963 173.6149 27 L 4.8945 8.3895 127.1047 53.1291 45.6497 174.7259 28 D 4.6047 8.9473 124.6537 52.5742 43.4479 173.8671 29 R 5.0044 8.7137 125.3228 54.3678 32.9678 174.8427 30 Y 4.7834 8.3749 120.6840 55.9994 41.2948 174.6380 31 F 5.1537 9.4478 122.4147 57.2812 41.9652 174.3459 32 Y 4.8533 10.5000 126.0678 59.9373 37.7555 177.0119 33 H 4.4342 9.3526 113.1136 57.9788 30.0879 176.3274 34 Q 4.4812 7.8671 113.3133 55.5487 32.1475 173.3725 35 E 4.5633 8.3127 119.4062 55.1266 30.4328 174.4623 36 E 4.2581 9.0700 128.1985 56.3270 30.4295 175.3418 37 Y 4.8530 8.3561 123.4401 56.7748 40.9553 175.8326 38 V 5.1504 6.9335 111.4878 59.9645 36.6874 174.2978 39 R 5.3688 8.9545 117.8740 55.2929 33.2316 173.3245 40 F 4.6601 9.1879 124.7777 56.4634 41.5799 173.4939 41 D 5.2182 7.6392 125.7610 52.0847 42.8852 177.0095 42 S 4.5029 9.0340 121.3571 61.3285 63.1186 175.2476 43 D 4.4678 8.2339 119.4294 55.5547 40.6859 177.1060 44 V 3.8113 7.4076 118.4143 62.3555 32.5362 177.3338 45 G 3.9035 8.9658 106.3958 45.3285 0.0000 172.4606 46 E 4.8042 6.7796 115.4429 54.6111 32.7235 174.3328 47 Y 4.5691 9.3181 118.6895 58.2104 38.8156 175.6611 48 R 4.7556 9.2118 122.5499 54.0426 33.8020 174.7093 49 A 4.4092 8.6649 125.9861 52.0391 18.3155 177.4998 50 V 3.9212 8.8804 124.8449 65.4034 32.1953 176.1998 51 T 4.8221 7.7283 108.3189 58.6748 72.0161 174.3367 52 E 4.0043 8.7007 120.9935 59.1703 29.0585 179.5563 53 L 4.0493 7.9449 118.4261 57.1991 42.0158 178.4715 54 G 3.9940 8.2216 103.7292 45.1088 0.0000 175.5506 55 R 3.8643 7.6391 121.1071 58.9887 30.0845 176.8714 56 P 4.1172 0.0000 0.0000 65.6704 31.3391 178.4214 57 D 3.3700 7.5722 116.7520 56.7001 40.6475 178.2550 58 A 3.8898 7.8792 121.6182 55.3203 18.1724 179.3581 59 E 3.8739 7.9190 116.1119 59.4262 29.9039 178.1156 60 Y 4.3198 8.0627 119.7377 60.7283 39.0090 178.0530 61 W 4.1370 8.2689 120.1552 59.7775 28.8003 178.3347 62 N 4.7042 8.1452 115.7608 55.7470 37.9277 176.4232 63 S 4.8877 7.4490 114.0513 57.6031 63.8327 174.2266 64 Q 4.4033 7.9499 125.1070 54.5308 29.3279 176.7246 65 K 3.9271 8.5947 129.0929 59.8736 31.6599 176.0881 66 D 4.5085 7.9659 118.1724 56.9639 41.2390 178.0425 67 L 3.8633 7.7426 120.4474 58.1351 42.2208 178.7318 68 L 4.1115 8.4034 121.7600 58.3868 41.6573 179.9384 69 E 4.0106 8.3424 118.2822 61.2806 29.4220 181.3200 70 Q 4.1146 7.7300 118.0619 58.7731 29.1970 178.7927 71 K 3.7625 7.9831 119.5240 59.2610 31.6818 179.7071 72 R 4.2048 8.2159 117.6815 58.6407 30.2380 178.1951 73 A 4.2351 7.8026 119.4642 53.5070 18.7338 178.8915 74 A 3.6650 7.3496 119.5071 55.3544 18.1379 179.8339 75 V 3.5266 7.7839 116.2488 65.8157 31.7116 177.3159 76 D 4.5219 8.1035 118.7615 56.7545 41.3559 178.8269 77 T 4.0220 7.9566 108.6253 64.3726 69.0419 174.3835 78 Y 4.6014 8.1000 121.3059 60.0250 39.7355 176.4142 79 C 4.2102 8.0309 116.6586 60.3003 34.8946 176.1879 80 R 3.8679 8.6187 119.6431 59.6498 29.8826 178.8926 81 H 4.1254 8.0076 117.1864 59.5245 29.9248 177.1488 82 N 4.3585 8.4776 118.4415 56.4323 38.2728 176.8282 83 Y 3.7536 8.3867 121.4289 60.3461 38.5195 178.3823 84 G 3.5653 7.7319 105.6940 47.7409 0.0000 175.6420 85 V 3.7760 7.6123 119.9355 65.4163 31.7624 177.8287 86 G 2.7181 8.5390 105.2612 46.7800 0.0000 176.8600 87 E 3.1522 7.7645 122.4117 58.6654 30.5955 179.3481 88 S 4.0448 7.7114 112.3884 60.2803 63.2772 174.6009 89 F 4.6824 7.5092 113.6374 56.4384 38.0928 175.0813 90 T 4.4138 6.5412 108.7786 63.2129 71.3571 176.2086 91 V 3.5786 7.3826 123.6296 64.6840 31.8472 177.2543 92 Q 4.3009 7.9226 116.6357 56.2103 29.2206 176.1496 93 R 3.9214 7.3914 118.5550 57.0362 30.3534 176.0923 94 R 4.9531 8.5342 123.6073 55.3552 33.5148 174.1941 95 V 4.6140 9.3228 125.6353 60.8825 34.0056 174.5283 96 Y 5.2150 8.8492 126.1655 55.6382 39.0442 173.3712 97 P 4.9594 0.0000 0.0000 62.7276 33.0416 174.9248 98 E 4.6110 9.3335 124.2003 55.0541 30.9310 174.6331 99 V 4.8374 8.4335 127.2555 62.0789 33.5127 175.2049 100 T 4.7962 9.0001 123.2372 62.1189 73.0122 172.7149 101 V 4.9699 8.6421 126.2356 61.2510 33.6284 174.1639 102 Y 4.9179 8.1723 124.8957 54.8510 41.6132 172.3178 103 P 4.4484 0.0000 0.0000 62.8697 32.0792 176.1136 104 A 3.9408 8.8458 129.4728 55.6635 19.0199 178.0934 *113 N 4.4653 7.8233 113.6867 52.6383 39.8110 174.5928 114 L 4.5403 8.2613 126.4902 53.0800 43.9785 174.9092 115 L 4.4162 8.3353 126.7316 52.7521 44.0873 175.4086 116 V 4.5483 8.1200 123.9348 61.0557 34.1603 173.4156 117 C 5.1683 9.3335 128.1831 55.0219 46.5123 172.2039 118 S 5.1123 9.3116 123.0799 56.9628 63.8284 172.7580 119 V 4.7842 8.8612 128.0340 61.4501 33.2553 174.1358 120 N 5.2902 9.1926 125.0767 51.7717 43.1728 174.8170 121 G 4.0114 8.3732 107.1061 46.5494 0.0000 173.5950 122 F 5.2850 7.3844 113.6927 55.4787 40.9669 173.8382 123 Y 5.3142 8.8785 120.9183 55.8351 42.5876 173.0528 124 P 3.5653 0.0000 0.0000 61.7799 32.4818 176.3387 125 G 2.5559 7.8213 107.5719 47.8081 0.0000 174.0071 126 S 3.9954 7.6368 115.7562 59.1651 62.8247 173.1691 127 I 4.6874 7.7859 124.1673 59.6527 41.2497 173.5222 128 E 4.6111 9.2179 126.2182 54.4981 32.7041 174.9136 129 V 4.6892 8.4324 124.4694 61.0906 33.8142 174.8027 130 R 4.6763 9.2292 126.4024 54.1629 34.4071 174.2047 131 W 5.3268 8.5076 121.4882 55.2517 31.7799 175.0625 132 F 5.3681 9.7445 122.0818 55.7183 42.9934 173.8680 133 R 4.7018 9.3415 122.9382 54.6830 32.6840 175.2025 134 N 4.2865 9.4038 125.7445 54.5308 36.5237 175.6526 135 G 3.9074 8.4570 103.5381 45.7451 0.0000 173.4619 136 Q 4.7576 7.8616 121.3338 53.7077 30.9895 174.8003 137 E 3.9928 8.7624 125.1975 55.8606 30.4069 175.1302 138 E 4.6103 8.6868 126.0891 55.0045 31.9674 175.2607 139 K 4.4261 8.5554 125.8507 56.2983 34.0777 173.5485 140 T 4.1057 7.5793 109.3441 62.4228 69.4998 174.9663 141 G 4.0287 8.8995 111.8923 44.2293 0.0000 172.6201 142 V 4.5826 6.9554 118.5857 61.6880 32.7990 175.3808 143 V 4.5439 9.0653 127.1704 61.1606 34.8104 174.0739 144 S 5.2724 8.7328 120.5900 57.0286 65.0935 173.2801 145 T 4.2223 8.7177 117.4157 61.7044 67.9723 175.3382 146 G 3.9222 8.1241 108.0765 44.8583 0.0000 172.6178 147 L 4.3604 8.1752 118.3768 54.6434 42.4772 177.1130 148 I 4.5309 8.6945 124.0738 59.4605 40.0859 174.4108 149 Q 4.0326 8.7601 129.1810 55.4488 29.3900 175.2513 150 N 4.4567 8.7943 123.7078 53.0526 38.8930 175.7482 151 G 3.8640 8.2698 106.0239 46.0187 0.0000 173.9716 152 D 4.7603 7.3209 117.5098 52.2416 39.3841 174.6633 153 W 3.2297 7.8690 113.7614 58.4558 26.8729 174.6407 154 T 4.9203 7.0790 111.5955 62.4875 73.0657 173.6109 155 F 5.3185 8.7233 123.0201 55.7239 43.4084 173.9058 156 Q 5.0640 8.9072 116.8978 55.5172 32.2261 173.6048 157 T 5.2390 9.3857 114.6873 60.8088 71.7576 172.0217 158 L 5.1757 8.5998 127.9565 53.2669 45.7073 174.9755 159 V 4.7600 8.9071 125.7267 61.6133 34.3706 173.9029 160 M 4.9543 9.2623 128.6531 53.9044 34.3550 175.0946 161 L 4.6922 8.4300 124.4925 52.8825 45.0621 175.2126 162 E 4.2812 8.8759 126.8527 56.6670 30.0992 175.8208 163 T 4.4672 8.7364 125.0211 62.7571 69.4649 176.3061 164 V 3.8576 8.6400 124.8737 62.6779 32.9546 174.6844 *169 E 4.1362 7.8785 114.6508 55.5118 31.0048 177.6594 170 V 4.3110 7.8630 124.5053 61.4427 33.1046 174.1768 171 Y 5.3084 9.2979 126.1137 56.6770 40.4267 174.4759 172 T 5.1914 9.5094 120.0075 60.4270 70.4406 171.6825 173 C 4.5227 8.8725 129.2345 55.0002 41.1795 171.7632 174 Q 5.2115 9.1623 128.1337 54.2921 31.6337 174.1929 175 V 4.8581 8.9328 125.6378 61.1311 34.9325 173.6626 176 E 4.9766 9.4661 127.9799 54.8703 31.9336 174.5604 177 H 4.9743 8.5337 122.9131 53.8918 33.2079 172.0382 178 P 4.1549 0.0000 0.0000 65.8994 31.5364 177.7233 179 S 4.4088 8.1554 110.7859 59.5203 63.3499 173.3708 180 L 4.9869 7.8434 121.6971 53.1582 43.8125 176.6782 181 T 4.1712 8.3923 111.6937 63.5440 69.4408 174.5882 182 S 4.6890 7.4675 114.1590 55.4845 66.2475 171.5540 183 P 4.6119 0.0000 0.0000 62.7304 32.1974 175.9313 184 L 4.6241 9.0321 123.5265 53.7351 43.1545 175.6947 185 T 5.0554 8.4931 114.0752 59.7186 71.6039 173.5788 186 V 4.3737 8.6888 124.5528 61.3068 34.1531 173.7276 187 E 5.2803 8.9305 127.7664 54.7451 31.1494 175.4263 188 W 5.0778 9.6251 134.0670 55.9310 34.3584 174.2556 189 R 4.7876 7.6290 122.9081 54.5334 34.4444 175.0141 190 A 3.7549 7.7221 121.3854 52.5243 19.3469 175.9081 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 D 8.36 4.64 0.00 2.65 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 3 T 8.66 3.85 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 4 R 8.81 3.89 0.00 1.80 1.94 0.00 3.24 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 5 P 0.00 4.37 0.00 1.71 1.76 0.00 3.70 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.06 0.00 6 R 7.75 4.41 0.00 1.58 1.72 0.00 3.29 0.00 0.00 3.19 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.50 0.00 7 F 8.46 4.84 0.00 3.08 3.08 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 8 L 8.63 4.89 0.00 1.62 1.54 0.95 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.90 5.19 0.00 2.18 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 10 Q 9.20 4.74 0.00 2.25 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.54 0.00 0.00 0.00 0.00 0.00 2.10 2.26 0.00 11 V 8.51 4.83 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 0.20 0.00 0.00 0.94 0.00 0.00 12 K 9.16 4.58 0.00 1.94 1.73 0.00 1.58 0.00 0.00 1.59 0.00 0.00 2.65 0.00 0.00 2.30 0.00 0.00 0.00 0.00 1.34 1.38 7.81 13 H 9.09 5.11 0.00 3.22 3.54 0.00 5.87 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.78 4.83 0.00 1.97 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 15 C 8.69 5.29 0.00 2.78 2.41 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 16 H 9.20 4.72 0.00 3.06 3.01 0.00 5.58 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 F 8.54 5.13 0.00 2.93 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 18 F 8.63 4.64 0.00 2.96 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 19 N 9.92 4.09 0.00 2.99 2.82 0.00 0.00 7.12 7.90 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 20 G 8.10 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.59 4.56 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 0.17 0.00 0.00 22 E 8.53 3.99 0.00 2.06 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 2.35 2.28 0.00 23 R 7.92 4.72 0.00 1.93 1.90 0.00 2.51 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.44 0.00 24 V 8.32 4.83 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 0.58 0.00 0.00 1.14 0.00 0.00 25 R 9.15 4.75 0.00 1.97 1.96 0.00 3.42 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 26 F 9.55 5.60 0.00 3.20 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 27 L 8.39 4.89 0.00 1.67 1.30 0.89 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 28 D 8.95 4.60 0.00 2.62 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.71 5.00 0.00 1.68 1.44 0.00 3.16 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.49 0.00 30 Y 8.37 4.78 0.00 2.25 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 9.45 5.15 0.00 3.02 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 10.50 4.85 0.00 2.77 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 33 H 9.35 4.43 0.00 3.04 3.16 0.00 5.73 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 7.87 4.48 0.00 1.96 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.83 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 35 E 8.31 4.56 0.00 2.23 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 2.46 2.50 0.00 36 E 9.07 4.26 0.00 1.86 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 2.02 1.57 0.00 37 Y 8.36 4.85 0.00 3.10 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 38 V 6.93 5.15 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.60 0.00 0.00 39 R 8.95 5.37 0.00 1.84 2.07 0.00 2.69 0.00 0.00 3.04 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 40 F 9.19 4.66 0.00 1.77 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 41 D 7.64 5.22 0.00 2.58 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 0.00 0.00 0.00 0.00 42 S 9.03 4.50 0.00 4.18 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 0.00 43 D 8.23 4.47 0.00 2.71 2.70 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 44 V 7.41 3.81 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 0.93 0.00 0.00 0.81 0.00 0.00 45 G 8.97 3.90 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 0.00 0.00 0.00 46 E 6.78 4.80 0.00 2.12 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 2.14 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0.00 3.35 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.80 0.00 56 P 0.00 4.12 0.00 1.94 1.93 0.00 3.59 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.06 0.00 57 D 7.57 3.37 0.00 1.82 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 0.00 0.00 0.00 58 A 7.88 3.89 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 59 E 7.92 3.87 0.00 1.95 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 2.34 2.32 0.00 60 Y 8.06 4.32 0.00 2.93 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 61 W 8.27 4.14 0.00 2.92 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 N 8.15 4.70 0.00 3.02 2.98 0.00 0.00 7.06 7.45 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 63 S 7.45 4.89 0.00 4.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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1.23 7.81 72 R 8.22 4.20 0.00 1.98 2.08 0.00 3.30 0.00 0.00 3.31 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.00 0.00 73 A 7.80 4.24 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 74 A 7.35 3.67 0.43 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 75 V 7.78 3.53 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 1.08 0.00 0.00 1.08 0.00 0.00 76 D 8.10 4.52 0.00 2.83 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 77 T 7.96 4.02 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 78 Y 8.10 4.60 0.00 2.82 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 79 C 8.03 4.21 0.00 3.30 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 R 8.62 3.87 0.00 2.09 2.02 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0.00 0.00 0.60 0.00 0.00 0.79 0.00 0.00 130 R 9.23 4.68 0.00 1.77 1.37 0.00 3.28 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 131 W 8.51 5.33 0.00 3.24 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 0.00 132 F 9.74 5.37 0.00 3.05 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.34 4.70 0.00 1.90 1.98 0.00 3.39 0.00 0.00 3.27 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.19 0.00 134 N 9.40 4.29 0.00 2.89 2.85 0.00 0.00 7.09 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 0.00 135 G 8.46 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 0.00 0.00 0.00 136 Q 7.86 4.76 0.00 2.19 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.85 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 137 E 8.76 3.99 0.00 1.73 1.67 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 1.93 1.47 0.00 138 E 8.69 4.61 0.00 2.08 1.80 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 2.20 2.25 0.00 139 K 8.56 4.43 0.00 1.69 1.75 0.00 1.84 0.00 0.00 1.87 0.00 0.00 2.91 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.34 0.95 7.81 140 T 7.58 4.11 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 141 G 8.90 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 0.00 0.00 0.00 142 V 6.96 4.58 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 1.01 0.00 0.00 143 V 9.07 4.54 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 0.87 0.00 0.00 0.91 0.00 0.00 144 S 8.73 5.27 0.00 3.91 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 0.00 145 T 8.72 4.22 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 0.00 146 G 8.12 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 0.00 0.00 0.00 147 L 8.18 4.36 0.00 1.58 1.70 0.69 0.86 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 0.00 148 I 8.69 4.53 2.02 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 1.15 0.99 0.92 0.00 0.00 149 Q 8.76 4.03 0.00 2.04 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 7.06 0.00 0.00 0.00 0.00 0.00 1.93 1.58 0.00 150 N 8.79 4.46 0.00 2.85 2.75 0.00 0.00 7.08 8.41 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 0.00 151 G 8.27 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 D 7.32 4.76 0.00 2.75 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 0.00 153 W 7.87 3.23 0.00 3.27 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 0.00 154 T 7.08 4.92 4.51 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 0.00 0.00 0.00 1.10 0.00 0.00 155 F 8.72 5.32 0.00 1.76 2.42 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 0.00 156 Q 8.91 5.06 0.00 2.25 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.70 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 157 T 9.39 5.24 4.55 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 1.29 0.00 0.00 158 L 8.60 5.18 0.00 1.82 1.49 1.05 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 159 V 8.91 4.76 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 1.32 0.00 0.00 0.94 0.00 0.00 160 M 9.26 4.95 0.00 1.86 1.90 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.40 0.00 161 L 8.43 4.69 0.00 0.27 0.13 0.67 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 162 E 8.88 4.28 0.00 1.86 1.80 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 2.23 2.17 0.00 163 T 8.74 4.47 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 1.10 0.00 0.00 164 V 8.64 3.86 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 0.72 0.00 0.00 0.93 0.00 0.00 *169 E 7.88 4.14 0.00 2.01 1.83 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 2.13 1.88 0.00 170 V 7.86 4.31 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 0.94 0.00 0.00 0.91 0.00 0.00 171 Y 9.30 5.31 0.00 3.40 3.25 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 0.00 172 T 9.51 5.19 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 173 C 8.87 4.52 0.00 1.77 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 Q 9.16 5.21 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.53 0.00 0.00 0.00 0.00 0.00 2.26 2.22 0.00 175 V 8.93 4.86 1.99 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 0.58 0.00 0.00 0.79 0.00 0.00 176 E 9.47 4.98 0.00 1.85 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 2.21 2.21 0.00 177 H 8.53 4.97 0.00 2.98 3.03 0.00 5.70 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 0.00 178 P 0.00 4.15 0.00 1.93 2.07 0.00 3.05 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.00 0.00 179 S 8.16 4.41 0.00 4.20 4.34 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 0.00 180 L 7.84 4.99 0.00 1.71 1.69 0.93 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 181 T 8.39 4.17 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 182 S 7.47 4.69 0.00 3.90 3.79 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 0.00 183 P 0.00 4.61 0.00 1.91 2.00 0.00 3.62 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 1.99 2.09 0.00 184 L 9.03 4.62 0.00 1.50 1.56 0.96 0.52 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 0.00 185 T 8.49 5.06 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 1.13 0.00 0.00 186 V 8.69 4.37 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 1.08 0.00 0.00 0.95 0.00 0.00 187 E 8.93 5.28 0.00 1.95 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 2.29 2.33 0.00 188 W 9.63 5.08 0.00 3.49 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 R 7.63 4.79 0.00 1.42 1.56 0.00 3.14 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 190 A 7.72 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.