NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 Q 4.2322 8.3331 119.6869 55.4116 30.5385 173.8975 11 G 3.7080 8.4011 105.3104 45.9743 0.0000 176.4439 12 R 3.2002 7.5748 114.8619 58.1465 32.6349 177.6106 13 G 3.5972 7.9535 104.5335 48.0739 0.0000 175.1186 14 A 3.7471 7.7833 122.5776 54.0729 18.4154 178.8553 15 W 4.4599 8.0113 115.9726 58.7792 30.2156 178.5453 16 L 4.1948 8.7455 119.3169 57.2365 40.7402 179.2419 17 L 4.0651 8.5315 120.6705 59.1319 42.3029 178.3136 18 M 4.2734 8.3298 118.3776 57.2471 32.1071 178.0691 19 A 4.1612 8.8945 121.1884 55.7052 18.7591 179.6808 20 F 4.2713 8.2847 119.0579 61.7424 39.6406 177.4835 21 T 3.7099 8.4772 112.9892 64.9763 67.0231 175.9516 22 A 4.0429 7.9154 122.3379 54.8045 18.5785 179.3434 23 L 3.8288 7.5133 116.0427 57.4160 41.1951 179.3415 24 A 3.7490 7.8829 121.2005 54.4183 18.1508 179.5987 25 L 3.9036 7.4599 117.6782 57.5704 42.1052 178.5922 26 E 4.2276 8.2681 116.8964 57.2583 29.5503 178.9563 27 L 3.9917 7.8196 120.3895 58.2233 41.8602 179.2250 28 T 3.8653 7.4971 114.5277 66.4559 68.3530 176.4600 29 A 4.1614 7.9374 122.8601 55.2590 18.6418 179.6810 30 L 4.1278 8.0470 116.7419 57.2614 41.6379 179.7675 31 W 4.1256 8.3186 128.7176 60.5318 30.5134 177.5778 32 F 4.3536 7.6087 113.9460 58.7994 38.6070 177.2455 33 Q 4.1431 7.8866 119.4373 58.6938 28.9033 174.8463 34 H 4.7529 7.9416 113.1489 57.4125 31.3233 176.5131 35 V 3.5218 7.5896 112.2661 64.2406 31.7312 177.7909 36 M 3.8575 7.0900 118.3184 56.7975 32.3697 175.7634 37 L 3.2716 8.3605 120.3444 55.9931 39.4790 169.3120 38 L 3.4906 8.1683 123.1917 54.1112 38.4821 174.0390 39 K 4.5047 8.2433 121.2525 54.7096 33.3930 174.4385 40 P 4.5342 0.0000 0.0000 64.2416 32.0542 174.7575 41 S 4.7107 9.0156 112.4697 59.8498 70.0800 176.5576 42 V 3.2065 7.3682 117.8930 62.3045 32.9866 175.2883 43 L 4.1447 8.7203 118.3018 57.8763 41.3275 178.1705 44 C 3.8509 8.6231 115.4866 60.8964 29.2787 175.9452 45 I 3.9348 7.8885 115.4798 64.1957 36.7183 177.7857 46 Y 3.9407 9.1024 118.8433 60.9362 37.6107 177.9579 47 E 4.2490 8.1555 118.5533 58.5193 29.7729 179.2387 48 R 4.2071 8.5076 119.1193 59.3898 30.1148 178.9089 49 V 4.2080 7.6951 114.6756 64.5540 31.4528 176.4466 50 A 4.8101 7.4459 118.9489 52.5115 19.4513 177.0445 51 L 4.6493 8.5632 121.3570 57.3968 44.1443 178.8306 52 F 4.3052 7.7346 114.6230 59.2380 39.0197 176.1820 53 G 4.2649 8.2367 108.9954 46.3304 0.0000 175.2800 54 V 4.2325 8.1297 117.4086 63.5233 31.7492 177.1323 55 L 4.2332 8.3610 118.6979 56.3611 40.6898 179.0849 56 G 3.9883 8.5748 105.3842 49.2016 0.0000 175.0125 57 A 3.9029 8.4205 120.7668 54.9189 18.8289 179.4279 58 A 4.6679 8.4578 117.3603 54.8870 19.1547 179.4016 59 L 4.2858 8.6805 118.8620 57.5459 41.8825 179.1883 60 I 3.8726 8.9241 120.0197 64.1674 37.4713 178.1087 61 G 2.0268 7.6891 105.9328 46.9770 0.0000 174.8185 62 A 4.4745 8.0196 123.1453 53.5887 19.1095 177.5594 63 I 3.4498 7.6927 126.4928 62.2439 36.8657 175.4053 64 A 3.4681 7.3622 129.8035 55.4513 14.8643 176.9947 65 P 4.2979 0.0000 0.0000 66.3143 32.6064 177.5021 66 K 4.4617 7.8158 113.4473 58.0518 34.5344 176.4373 67 T 4.7857 7.7573 110.4713 63.4137 76.1407 172.5442 68 P 4.4798 0.0000 0.0000 63.2328 32.8392 176.0097 69 L 4.2601 7.6746 117.7668 55.7909 41.5108 178.3506 70 R 3.7154 7.7299 117.6471 60.0714 30.3387 177.7349 71 Y 4.1389 8.2501 116.2968 61.0155 37.7226 178.5388 72 V 3.5650 8.0248 118.0549 66.5103 31.2966 178.0236 73 A 4.0501 7.3479 118.2031 55.4299 18.4067 179.2581 74 M 4.2636 8.3325 117.7400 58.4659 32.0618 179.1333 75 V 3.8165 7.8146 119.1361 64.7392 31.6561 178.0992 76 I 4.0496 7.5036 115.6214 60.7995 37.8249 175.8148 77 W 4.7211 8.0406 125.8259 59.1045 32.1841 177.4333 78 L 4.1402 9.0427 119.1611 58.7599 41.1735 178.6969 79 Y 4.2299 9.0030 120.0463 60.0304 38.8602 177.3795 80 S 4.2074 8.5867 115.1771 61.9405 63.0656 176.9068 81 A 4.2490 8.2899 123.0702 55.2473 18.1221 179.2026 82 F 3.9197 8.5016 119.1570 61.7115 39.5499 177.6191 83 R 3.9247 8.6424 117.9178 58.9843 29.7059 179.0675 84 G 2.0790 7.8290 105.6222 47.5327 0.0000 175.2151 85 V 3.4378 7.6195 121.5692 65.9936 31.3756 178.0606 86 Q 3.8528 7.5952 116.6321 59.3336 28.4840 178.2593 87 L 3.8968 7.5829 120.9817 57.7829 41.5982 179.5902 88 T 4.4656 7.9383 110.8852 64.5124 68.3922 175.4066 89 Y 4.0788 8.5281 123.0376 60.5626 38.8704 177.7236 90 E 3.7808 8.6880 118.5139 59.1896 29.5809 178.4620 91 H 3.9692 8.3087 119.8472 59.4790 29.7978 177.3512 92 T 3.8336 7.6186 117.1273 66.6465 68.2015 176.3909 93 M 3.9899 7.7705 120.7864 58.6489 31.8412 178.7223 94 L 4.0130 7.8681 118.4107 57.5945 42.2263 178.2656 95 Q 4.1624 7.4443 117.1766 57.4430 29.1393 177.0267 96 L 4.2051 7.8314 117.9345 54.7871 43.6656 176.4691 97 Y 4.7997 8.0235 116.6749 55.7374 38.9495 173.5878 98 P 4.3303 0.0000 0.0000 62.4503 32.7192 176.9139 99 S 4.2676 8.4194 114.8659 57.8617 63.4165 173.1790 100 P 4.1844 0.0000 0.0000 63.5497 30.7368 176.3564 101 F 4.6352 7.5436 114.8491 58.9266 40.9619 175.0966 102 A 3.9357 8.5310 123.8678 52.1918 18.2329 176.2349 103 T 4.4323 7.5770 113.4008 63.6432 73.2403 176.0299 104 C 3.8045 7.9109 119.5531 57.4818 41.8156 172.3298 105 D 4.3421 7.5264 117.8991 52.5130 40.7385 174.9124 106 F 4.9711 8.9637 116.4020 55.7931 42.8906 175.6532 107 M 4.1549 8.6943 116.7783 54.3628 33.8296 176.8456 108 V 3.8459 7.7773 112.6747 61.3027 31.5428 174.9571 *114 L 4.0359 8.1885 123.7368 55.1563 42.8586 175.4252 115 P 4.4476 0.0000 0.0000 62.2450 31.2679 175.2555 116 L 4.3335 7.9124 127.1046 56.3328 42.7944 177.6165 117 D 4.5846 8.2205 119.4532 57.4576 41.2980 179.7473 118 K 4.0377 8.1305 118.8143 59.2566 32.1696 178.4830 119 W 4.0266 8.1439 124.4386 57.5640 30.8636 175.6968 120 V 4.2771 7.1308 117.2288 61.3197 34.1007 171.4284 121 P 4.2312 0.0000 0.0000 63.5158 31.1180 177.7968 122 Q 3.9458 8.6550 124.3675 59.7793 29.6039 178.6460 123 V 4.2949 7.7973 113.9295 62.3380 32.5928 176.4504 124 F 4.6567 7.5443 120.9672 54.4593 37.7915 174.8886 125 V 4.5503 7.2901 117.5585 61.4503 33.8645 173.2074 126 A 4.7187 8.5951 124.3842 50.3945 21.3591 176.2256 127 S 4.4079 9.2532 118.4977 57.0725 64.4063 174.5089 128 G 4.1135 9.0278 115.1715 43.7229 0.0000 170.8222 129 D 4.4744 8.9078 126.5852 55.0447 40.2433 176.6881 130 C 4.0850 8.5616 112.7285 58.1119 35.8028 174.6827 131 A 4.4236 7.3627 122.5123 50.0366 18.8873 174.3556 132 E 4.2009 8.2050 120.5762 55.3730 29.3866 175.9162 133 R 4.9052 8.2507 122.4064 54.6570 32.2985 174.5771 134 Q 4.6921 8.6403 120.5033 53.6883 32.5117 175.1886 135 W 5.0454 8.4493 116.8242 55.2690 29.8815 173.8891 136 D 4.9936 8.4192 123.3801 51.8392 43.2343 176.3537 137 F 4.2495 8.9512 121.7931 58.7508 39.5206 174.7283 138 L 3.7896 9.7431 123.1899 55.7612 40.4413 175.0834 139 G 3.9108 7.8896 101.1057 45.4314 0.0000 174.0176 140 L 4.4223 7.2163 118.7165 52.2305 43.4713 176.4526 141 E 4.5388 8.0033 121.7959 56.0808 30.2522 178.2875 142 M 4.2038 8.8485 122.9725 58.0256 32.0757 176.2424 143 P 4.5779 0.0000 0.0000 63.5295 31.8161 177.0271 144 Q 4.1943 7.8522 119.9315 57.6037 29.6836 177.1088 145 W 4.5851 7.8194 119.7686 59.7127 29.2256 177.7622 146 L 3.9611 8.2090 118.8119 58.2518 41.0373 179.4714 147 L 4.3899 7.0759 119.3555 57.5124 41.9962 179.1343 148 G 3.7843 8.4802 106.3870 47.7535 0.0000 175.7081 149 I 3.6958 7.6072 115.3066 62.3609 37.8238 177.8249 150 F 4.1258 8.2336 120.1180 60.3182 38.5866 177.4586 151 I 3.9491 8.1275 119.9003 63.5722 36.6682 176.6273 152 A 4.8357 7.2201 120.7916 52.5649 18.5680 177.5977 153 Y 4.9747 7.7969 116.0590 59.7234 41.2071 176.3830 154 L 4.3888 8.0500 120.2291 56.1003 42.8606 177.4122 155 I 4.1410 8.2042 112.3648 63.4574 38.2690 178.5761 156 V 3.9832 8.0733 115.1699 63.0202 31.5604 175.1260 157 A 4.6691 8.4893 120.4297 52.4275 20.1546 179.5166 158 V 3.5716 8.5559 117.4443 64.9311 32.6289 177.3278 159 L 4.2636 7.9123 119.1968 56.1833 43.0070 176.7948 160 V 4.1422 7.4246 113.1471 63.6355 32.6364 176.9236 161 V 3.4868 8.4662 117.2417 65.6725 32.7456 175.1356 162 I 3.9954 7.3733 123.1659 61.3678 37.0412 175.4345 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 10 Q 8.33 4.23 0.00 2.08 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.89 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 11 G 8.40 3.71 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 0.00 0.00 0.00 12 R 7.57 3.20 0.00 1.99 2.25 0.00 3.14 0.00 0.00 3.35 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 13 G 7.95 3.60 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 0.00 0.00 0.00 14 A 7.78 3.75 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 15 W 8.01 4.46 0.00 3.49 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 L 8.75 4.19 0.00 1.98 1.78 0.97 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 17 L 8.53 4.07 0.00 1.85 1.76 0.94 1.10 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 18 M 8.33 4.27 0.00 2.59 2.40 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.08 2.84 0.00 19 A 8.89 4.16 1.53 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 0.00 0.00 20 F 8.28 4.27 0.00 3.18 3.41 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 21 T 8.48 3.71 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 1.46 0.00 0.00 22 A 7.92 4.04 1.28 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 0.00 0.00 0.00 23 L 7.51 3.83 0.00 1.85 1.59 0.98 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.88 3.75 0.83 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 25 L 7.46 3.90 0.00 1.74 1.56 0.76 0.60 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 26 E 8.27 4.23 0.00 1.71 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 0.00 2.10 2.27 0.00 27 L 7.82 3.99 0.00 1.84 1.61 0.89 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 28 T 7.50 3.87 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 1.23 0.00 0.00 29 A 7.94 4.16 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.05 4.13 0.00 1.98 1.87 1.15 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 31 W 8.32 4.13 0.00 3.39 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 32 F 7.61 4.35 0.00 3.24 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 7.89 4.14 0.00 2.15 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.73 0.00 0.00 0.00 0.00 0.00 2.17 2.37 0.00 34 H 7.94 4.75 0.00 3.25 3.21 0.00 5.87 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 V 7.59 3.52 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 0.66 0.00 0.00 -0.49 0.00 0.00 36 M 7.09 3.86 0.00 1.87 1.85 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.47 0.00 37 L 8.36 3.27 0.00 1.91 1.63 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.17 3.49 0.00 1.72 2.05 0.96 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.24 4.50 0.00 1.67 1.76 0.00 1.80 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.38 7.81 40 P 0.00 4.53 0.00 2.22 2.04 0.00 3.80 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.93 0.00 41 S 9.02 4.71 0.00 4.05 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 42 V 7.37 3.21 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 0.68 0.00 0.00 0.95 0.00 0.00 43 L 8.72 4.14 0.00 1.81 1.72 0.89 0.49 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 44 C 8.62 3.85 0.00 3.19 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 45 I 7.89 3.93 1.75 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 1.56 0.80 0.92 0.00 0.00 46 Y 9.10 3.94 0.00 2.95 3.04 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 47 E 8.16 4.25 0.00 2.26 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 2.35 2.44 0.00 48 R 8.51 4.21 0.00 2.07 2.36 0.00 3.40 0.00 0.00 3.35 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.74 0.00 49 V 7.70 4.21 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 0.73 0.00 0.00 50 A 7.45 4.81 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 51 L 8.56 4.65 0.00 1.93 1.70 0.76 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 52 F 7.73 4.31 0.00 3.24 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 G 8.24 4.26 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 8.13 4.23 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 0.08 0.00 0.00 0.87 0.00 0.00 55 L 8.36 4.23 0.00 1.96 1.65 1.10 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 56 G 8.57 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 0.00 0.00 0.00 57 A 8.42 3.90 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 0.00 0.00 0.00 0.00 0.00 58 A 8.46 4.67 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 0.00 0.00 0.00 0.00 0.00 59 L 8.68 4.29 0.00 1.96 1.88 1.02 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 60 I 8.92 3.87 2.07 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.73 0.79 0.00 0.00 61 G 7.69 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 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.02 4.47 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 63 I 7.69 3.45 2.00 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 1.23 0.45 0.88 0.00 0.00 64 A 7.36 3.47 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 P 0.00 4.30 0.00 2.05 2.05 0.00 3.63 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.20 0.00 66 K 7.82 4.46 0.00 1.75 1.75 0.00 1.73 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.29 1.31 7.81 67 T 7.76 4.79 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 1.20 0.00 0.00 68 P 0.00 4.48 0.00 2.00 2.06 0.00 3.61 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 1.87 1.81 0.00 69 L 7.67 4.26 0.00 1.68 1.55 0.85 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 70 R 7.73 3.72 0.00 2.05 2.11 0.00 3.38 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.83 0.00 71 Y 8.25 4.14 0.00 2.97 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.02 3.57 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 1.03 0.00 0.00 0.92 0.00 0.00 73 A 7.35 4.05 0.82 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 74 M 8.33 4.26 0.00 2.10 2.27 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.04 2.65 0.00 75 V 7.81 3.82 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 1.05 0.00 0.00 0.97 0.00 0.00 76 I 7.50 4.05 1.92 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.93 1.10 0.00 0.00 77 W 8.04 4.72 0.00 3.69 3.20 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 78 L 9.04 4.14 0.00 2.11 1.90 1.05 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 79 Y 9.00 4.23 0.00 3.04 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 80 S 8.59 4.21 0.00 4.04 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 A 8.29 4.25 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 F 8.50 3.92 0.00 3.18 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 83 R 8.64 3.92 0.00 1.56 1.80 0.00 3.50 0.00 0.00 2.99 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 1.07 0.00 84 G 7.83 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 0.00 0.00 0.00 0.00 0.00 0.00 85 V 7.62 3.44 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 0.83 0.00 0.00 0.99 0.00 0.00 86 Q 7.60 3.85 0.00 2.10 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.56 0.00 0.00 0.00 0.00 0.00 2.35 2.25 0.00 87 L 7.58 3.90 0.00 1.74 1.82 0.96 0.38 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 88 T 7.94 4.47 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 89 Y 8.53 4.08 0.00 2.98 3.04 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 90 E 8.69 3.78 0.00 2.22 2.30 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 2.45 2.40 0.00 91 H 8.31 3.97 0.00 3.50 3.48 0.00 5.78 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 T 7.62 3.83 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 1.11 0.00 0.00 93 M 7.77 3.99 0.00 1.95 2.08 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 1.93 0.00 94 L 7.87 4.01 0.00 1.73 1.69 0.81 0.85 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 95 Q 7.44 4.16 0.00 2.16 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.56 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 96 L 7.83 4.21 0.00 1.42 0.79 0.81 0.56 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 97 Y 8.02 4.80 0.00 2.89 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 98 P 0.00 4.33 0.00 2.13 2.13 0.00 3.70 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.89 0.00 99 S 8.42 4.27 0.00 4.14 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 0.00 100 P 0.00 4.18 0.00 0.76 1.69 0.00 3.09 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.84 0.00 101 F 7.54 4.64 0.00 3.04 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 A 8.53 3.94 1.32 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 0.00 103 T 7.58 4.43 4.17 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 0.00 0.00 0.00 1.22 0.00 0.00 104 C 7.91 3.80 0.00 2.99 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 0.00 105 D 7.53 4.34 0.00 2.76 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 0.00 106 F 8.96 4.97 0.00 3.00 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 0.00 107 M 8.69 4.15 0.00 2.32 2.38 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.39 0.00 108 V 7.78 3.85 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 1.00 0.00 0.00 *114 L 8.19 4.04 0.00 1.59 1.61 0.85 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 115 P 0.00 4.45 0.00 2.24 2.09 0.00 3.70 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 116 L 7.91 4.33 0.00 1.77 1.55 0.88 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 117 D 8.22 4.58 0.00 2.81 2.80 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 0.00 118 K 8.13 4.04 0.00 1.98 1.96 0.00 1.68 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.48 7.81 119 W 8.14 4.03 0.00 3.33 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 V 7.13 4.28 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 0.77 0.00 0.00 0.57 0.00 0.00 121 P 0.00 4.23 0.00 2.21 1.83 0.00 3.64 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.97 0.00 122 Q 8.66 3.95 0.00 2.03 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.95 0.00 0.00 0.00 0.00 0.00 2.48 2.47 0.00 123 V 7.80 4.29 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 0.99 0.00 0.00 1.13 0.00 0.00 124 F 7.54 4.66 0.00 3.01 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 V 7.29 4.55 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.96 0.00 0.00 126 A 8.60 4.72 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 0.00 127 S 9.25 4.41 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 0.00 128 G 9.03 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 0.00 129 D 8.91 4.47 0.00 2.86 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 0.00 130 C 8.56 4.08 0.00 3.20 3.27 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 0.00 131 A 7.36 4.42 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 0.00 132 E 8.20 4.20 0.00 2.05 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 2.35 2.58 0.00 133 R 8.25 4.91 0.00 1.93 1.87 0.00 3.11 0.00 0.00 3.37 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.80 0.00 134 Q 8.64 4.69 0.00 2.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.90 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 135 W 8.45 5.05 0.00 3.44 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 0.00 136 D 8.42 4.99 0.00 2.70 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 F 8.95 4.25 0.00 3.12 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 0.00 138 L 9.74 3.79 0.00 2.01 2.06 0.99 1.34 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 0.00 139 G 7.89 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 0.00 140 L 7.22 4.42 0.00 1.00 0.64 0.71 0.03 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 8.00 4.54 0.00 1.86 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 2.21 2.28 0.00 142 M 8.85 4.20 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.45 0.00 143 P 0.00 4.58 0.00 2.11 2.08 0.00 3.51 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 2.04 1.92 0.00 144 Q 7.85 4.19 0.00 1.93 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.63 6.99 0.00 0.00 0.00 0.00 0.00 2.14 2.27 0.00 145 W 7.82 4.59 0.00 3.53 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 L 8.21 3.96 0.00 1.77 1.98 0.96 0.45 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 0.00 147 L 7.08 4.39 0.00 1.81 1.85 1.02 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 148 G 8.48 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 I 7.61 3.70 1.40 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.63 0.75 0.00 0.00 150 F 8.23 4.13 0.00 3.17 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 0.00 151 I 8.13 3.95 1.94 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 1.48 0.88 0.94 0.00 0.00 152 A 7.22 4.84 1.26 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 0.00 0.00 0.00 0.00 0.00 0.00 153 Y 7.80 4.97 0.00 2.90 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 0.00 154 L 8.05 4.39 0.00 1.87 1.82 1.19 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 155 I 8.20 4.14 1.93 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 1.54 0.88 0.97 0.00 0.00 156 V 8.07 3.98 2.36 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 1.06 0.00 0.00 1.13 0.00 0.00 157 A 8.49 4.67 1.68 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 0.00 0.00 0.00 0.00 0.00 0.00 158 V 8.56 3.57 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 0.99 0.00 0.00 1.09 0.00 0.00 159 L 7.91 4.26 0.00 1.70 1.82 0.95 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 0.00 160 V 7.42 4.14 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 0.78 0.00 0.00 0.96 0.00 0.00 161 V 8.47 3.49 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 0.62 0.00 0.00 0.63 0.00 0.00 162 I 7.37 4.00 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 1.07 0.65 0.86 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.