NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.8867 8.3544 109.7371 45.6587 0.0000 172.9234 1 V 4.0780 8.1322 120.0925 60.4756 34.3572 175.6248 2 K 4.4649 8.3597 128.0036 57.2081 38.4604 177.2533 *4 S 4.3635 9.2493 114.4233 56.6041 65.2781 173.6047 5 D 4.4729 8.2115 119.9619 54.2737 38.7116 175.7810 6 K 3.6302 7.9024 119.3363 59.8371 32.1286 178.6329 7 W 4.0533 7.9302 118.0191 59.4564 28.9780 178.6289 8 I 3.7476 7.7861 119.6524 64.2784 36.5571 177.8566 9 E 3.9181 7.9334 119.8259 59.2796 29.4157 178.8394 10 I 3.5931 7.8503 120.1910 64.3595 37.1647 177.8834 11 E 3.9383 8.3313 120.0986 59.3412 29.3175 178.6159 12 E 3.9635 8.2018 118.3777 59.6354 29.5491 179.4476 13 I 3.7100 8.0411 119.8578 64.3542 37.2128 178.4245 14 L 4.0237 8.1579 119.9703 58.0972 41.6253 179.8480 15 S 4.2458 8.2907 115.0487 61.4817 62.6928 177.0156 16 G 3.6343 8.3695 108.6036 47.7299 0.0000 175.5784 17 L 4.0200 8.2804 122.0170 57.6387 41.7439 179.6410 18 I 3.7449 7.8795 119.6459 64.4587 37.0873 178.8326 19 G 3.5730 7.9636 106.0146 47.8728 0.0000 175.6501 20 D 4.4090 8.5106 121.8948 57.0292 40.7179 178.9100 21 L 4.0240 8.1066 119.6155 58.0358 41.6080 179.7064 22 T 3.8466 7.8301 115.6623 66.5895 68.3919 176.6851 23 I 3.7354 7.9223 120.4048 63.7703 38.1129 177.6379 24 A 4.0014 7.9737 121.7985 55.2019 18.1085 179.8532 25 V 3.5162 7.5922 116.5743 66.3535 31.5973 178.3638 26 T 3.8062 7.8607 115.4722 66.6318 68.3481 176.6467 27 V 3.6297 8.2059 120.4264 65.9313 31.4522 177.7294 28 L 3.7507 7.7113 119.6027 58.1716 41.7075 179.0618 29 K 3.8850 7.9341 117.1182 59.3981 32.3543 178.6275 30 D 4.4404 8.4250 119.5457 57.8792 40.7421 178.7484 31 Y 3.8831 8.0779 116.8796 60.9097 37.6401 178.1858 32 E 4.2023 8.4381 118.8725 58.6394 29.6131 178.6288 33 G 4.0107 7.6311 103.5528 44.5453 0.0000 174.3365 34 K 4.3615 7.8500 122.1845 53.9892 31.5792 176.2796 35 A 3.9754 8.5504 126.2919 55.2971 18.3369 179.0064 36 F 4.3081 8.3470 111.9973 59.7393 37.6491 176.9244 37 L 3.9909 7.1874 118.2846 56.1432 41.4573 178.0857 38 R 4.3496 7.7262 117.2201 55.4223 30.9009 176.3123 39 E 4.3536 7.6019 119.7670 55.1045 30.6914 176.0356 40 P 4.2770 0.0000 0.0000 65.7860 31.5045 178.5388 41 Q 4.1697 8.0065 113.7668 58.0192 29.0284 176.0913 42 H 4.9516 8.0558 115.6479 55.8379 29.7162 176.1049 43 Q 3.9765 8.1013 121.0421 59.3776 28.4824 178.7918 44 T 3.8276 7.8963 116.0839 66.5375 68.5587 176.3078 45 K 3.9111 8.0093 120.7772 59.5121 32.3354 178.4011 46 R 3.9389 8.4829 119.2626 59.8093 29.9102 178.3367 47 Q 4.0615 8.6392 117.9564 59.3325 28.5734 178.8542 48 C 4.1669 8.1725 117.6922 62.6676 28.1267 176.1963 49 I 3.5318 7.8070 121.4809 64.1099 36.6783 178.4365 50 W 3.8992 8.2971 119.7409 59.7775 28.8529 178.8270 51 R 3.4293 8.3471 118.2681 58.8386 29.3914 178.4948 52 L 3.9275 7.9394 120.3822 58.7553 41.9087 179.0298 53 C 4.2344 8.0050 116.1265 62.5510 28.1366 176.2577 54 V 3.6708 8.1930 120.2529 66.3358 31.0898 177.5086 55 Y 4.6013 8.2287 116.9110 61.3712 37.6805 178.9274 56 S 4.1369 7.9218 112.4426 61.4346 62.5719 175.9800 57 I 3.7835 8.0413 122.7684 64.8308 36.9356 178.8695 58 V 3.8086 8.4152 113.3874 64.3905 31.3668 178.6104 59 I 3.7582 8.1310 119.8457 64.6627 36.9821 178.2030 60 N 4.5050 8.4664 117.1230 56.1137 38.5628 177.3157 61 C 4.2374 8.6477 118.7401 63.0674 28.2971 176.4158 62 R 4.0453 8.2378 119.4896 59.2674 29.5700 179.1716 63 K 4.0644 8.1964 118.3361 59.6434 31.7664 178.7368 64 Y 4.0291 8.1347 119.8076 60.5637 38.6583 178.1658 65 V 3.6248 7.9033 118.7169 66.2021 31.5764 177.8460 66 E 3.9042 8.6528 118.6848 59.1844 29.1780 179.1706 67 L 3.8905 8.1807 120.7421 58.1113 41.9481 178.6546 68 N 4.1912 7.5467 115.3746 56.4077 38.6455 177.1742 69 Q 4.0587 8.1151 116.9407 58.1139 28.8216 177.3263 70 K 3.9565 7.3003 120.4694 56.9992 34.0156 175.7023 71 Y 4.9141 7.4966 115.7191 56.4373 38.4137 176.6109 72 G 3.8899 7.9819 107.1417 46.9639 0.0000 173.5397 73 K 4.2528 7.8104 118.3054 56.4504 32.3091 176.6780 74 E 4.7460 7.9173 116.4398 55.9184 32.5983 175.2369 *79 I 4.1334 8.2646 121.4931 60.5454 39.3354 175.7337 80 P 4.2530 0.0000 0.0000 64.4439 31.4546 177.8166 81 G 3.8926 8.2216 107.5090 47.9866 0.0000 173.8738 82 H 4.9290 7.9549 114.9765 55.1360 30.1465 174.8785 83 N 4.2587 8.4762 120.5740 56.9657 38.4209 175.9710 84 H 4.4116 8.1266 118.6784 58.8662 30.5119 176.7061 85 I 3.8358 7.9293 119.9025 64.1506 37.6559 177.6079 86 R 4.2701 7.5356 120.7465 58.9647 29.9536 178.8355 87 G 3.6618 7.8793 104.6441 47.3603 0.0000 176.0118 88 V 3.6016 7.8059 120.6447 66.3835 31.7708 177.8102 89 Y 4.0038 8.2912 116.4072 60.9647 37.5268 177.7832 90 N 4.6587 8.8358 118.2689 57.0391 38.9157 176.4355 91 N 4.3861 8.4699 118.3403 56.5004 39.0948 176.5249 92 E 3.9071 8.3934 120.1762 59.6795 29.4030 179.4252 93 I 3.8182 7.6137 117.6378 64.7064 37.3212 177.9310 94 N 4.5224 7.8176 115.8579 56.2943 38.4263 177.2153 95 K 4.2293 8.1655 119.2657 58.4257 33.3485 177.5449 96 N 4.5783 7.9511 119.2636 52.6070 37.6838 175.1944 97 T 4.0115 8.0697 116.9854 63.5798 69.3500 176.1527 98 A 4.2312 7.4506 125.3096 54.4494 18.1789 179.4659 99 I 3.5927 7.6703 117.9452 64.5775 37.2205 178.5275 100 K 3.9506 7.9704 119.6949 59.3634 32.2144 178.6476 101 K 3.9205 8.0588 118.7709 59.5746 31.9895 179.3003 102 L 4.0394 8.4815 119.3420 57.7022 41.5904 179.2410 103 R 3.8527 8.1619 118.7789 59.7682 29.9760 178.0131 104 N 4.2827 8.4942 116.3460 56.6571 38.3388 176.9008 105 H 4.1807 7.8677 117.9937 59.5516 30.1151 176.6309 106 C 3.6060 7.7553 119.0126 61.6382 31.2487 174.8056 107 V 3.9483 7.4143 117.7568 62.6903 31.9330 176.0334 108 A 4.1462 7.0316 120.8627 52.1750 19.0974 176.5878 109 H 4.3855 8.5078 119.3496 55.5399 30.7451 176.5694 110 V 3.6255 8.1917 125.1365 66.0398 31.3649 177.4898 111 S 4.2236 8.3529 112.7583 60.2299 63.3222 173.8377 112 D 4.5561 7.7737 121.0695 53.3543 39.0356 175.1748 113 K 4.5158 8.2070 122.6773 55.9010 32.4288 178.9924 114 S 4.3232 8.2342 115.3028 60.1604 63.0967 175.0360 115 K 4.4742 7.8478 117.8841 55.9640 33.0780 175.4234 116 Y 4.3119 7.6530 120.6314 57.3425 39.1418 174.5874 117 L 4.5676 7.6462 126.8586 52.4908 43.7698 177.2271 118 K 3.9760 8.7403 123.4229 55.4603 34.0296 176.2856 119 P 4.1778 0.0000 0.0000 66.0936 31.2416 178.9261 120 A 4.0012 7.9109 118.7422 55.0777 18.2353 179.3759 121 E 3.8493 8.0324 116.7435 59.3866 29.5869 179.3867 122 V 3.5300 8.0576 118.6922 66.1506 31.4326 177.9225 123 Q 3.9455 8.0265 117.5629 59.1134 28.5693 178.8911 124 E 3.9179 8.2418 119.3395 59.6345 29.3329 179.3945 125 E 3.9702 8.4538 118.7041 59.4120 29.2096 179.5611 126 I 3.8176 7.6154 119.3480 64.2403 37.4828 178.2450 127 I 3.9967 7.6179 120.7603 64.0637 36.9747 179.6442 128 K 3.8479 7.9575 118.1243 56.6235 31.9099 178.4358 *130 F 4.3941 7.9728 116.5540 56.0279 40.6359 174.4638 131 D 4.3568 8.2303 118.8814 52.7108 40.3607 174.2937 132 G 3.6687 6.6954 104.7315 45.3701 0.0000 173.4986 133 N 4.5364 8.0195 119.6942 53.0373 39.0857 174.5804 134 F 5.2708 7.7325 117.2787 55.5550 41.5233 175.6812 135 A 4.2613 8.7289 127.0616 53.9900 18.5363 178.7764 136 D 4.4344 8.3192 117.8364 57.7975 40.8466 178.3937 137 E 4.0158 8.3914 118.7442 59.4598 29.7338 178.3934 138 F 4.2093 8.5107 119.9519 61.3577 39.6093 176.8259 139 L 4.1414 8.7159 118.8542 58.2163 41.2725 179.3975 140 D 4.5895 8.5043 117.8732 56.9834 40.9301 178.3477 141 W 4.2623 8.4454 129.2555 60.2133 30.6282 178.2289 142 I 3.5749 7.8290 120.0204 62.4941 36.5892 176.0431 143 C 4.4202 8.0832 124.9162 57.8891 32.7185 171.7586 144 P 4.7064 0.0000 0.0000 61.9766 31.9210 176.1684 145 D 4.3672 8.4118 119.1548 55.5970 41.7998 176.0826 146 N 4.1141 8.7767 117.4183 54.1450 35.9736 175.6754 147 I 3.6571 7.5976 116.3188 63.4971 38.4048 176.3827 148 S 4.1469 7.2810 116.1999 62.4511 63.1466 175.8707 149 T 4.3229 7.4025 112.6143 60.1363 67.0927 173.3805 150 T 4.4335 7.2577 121.0800 62.7737 73.1550 173.1607 151 D 4.3362 8.7129 125.5686 54.4457 41.2145 176.9181 152 K 4.0767 8.5229 126.2994 58.3352 32.2771 178.3732 153 S 4.2176 8.5228 114.9434 60.3225 62.8670 174.6315 154 E 4.6751 8.1636 119.2899 56.1861 29.7885 176.3145 155 S 4.5409 7.2045 113.7000 55.3257 67.2499 174.2604 156 L 2.9159 7.7520 126.0140 58.3152 41.6737 179.9389 157 V 3.4801 7.4599 118.0288 65.6801 31.3230 178.2389 158 G 3.4214 7.7263 105.5871 47.6901 0.0000 175.9159 159 V 3.3505 7.4589 120.7817 65.6789 31.4055 178.2722 160 I 3.8126 7.6006 119.7513 64.0906 36.9055 178.0211 161 E 3.8998 8.1929 120.5426 58.8683 28.8825 178.4134 162 L 3.8776 7.9388 120.7868 58.0427 42.0184 179.1479 163 L 4.0155 7.7411 118.2559 57.6939 41.7319 178.9622 164 R 3.8858 8.0124 118.6665 59.9728 29.7557 178.0917 165 D 4.3757 7.9728 116.6279 57.2675 40.8206 178.7012 166 A 4.1074 7.4072 119.6038 55.2765 18.5913 179.5425 167 V 3.7310 8.0200 115.7157 65.5606 32.8276 177.8357 168 S 4.4800 7.9486 115.3999 55.5076 59.3671 174.0206 169 A 4.0215 7.5444 127.2229 52.9417 18.9201 176.7319 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 0 G 8.35 3.89 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 0.00 0.00 0.00 1 V 8.13 4.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.93 0.00 0.00 2 K 8.36 4.46 0.00 1.87 1.27 0.00 1.67 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.43 7.81 *4 S 9.25 4.36 0.00 4.03 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 D 8.21 4.47 0.00 2.83 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 6 K 7.90 3.63 0.00 1.12 1.03 0.00 1.45 0.00 0.00 1.38 0.00 0.00 3.12 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.40 7.81 7 W 7.93 4.05 0.00 3.36 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 I 7.79 3.75 2.06 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.83 0.93 0.00 0.00 9 E 7.93 3.92 0.00 2.00 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 2.30 2.37 0.00 10 I 7.85 3.59 1.67 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 -0.02 0.83 0.00 0.00 11 E 8.33 3.94 0.00 2.16 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 0.00 2.33 2.53 0.00 12 E 8.20 3.96 0.00 2.32 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 0.00 2.34 2.55 0.00 13 I 8.04 3.71 1.89 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 1.55 0.83 0.95 0.00 0.00 14 L 8.16 4.02 0.00 1.85 1.75 0.98 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 15 S 8.29 4.25 0.00 4.09 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 16 G 8.37 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 8.28 4.02 0.00 1.92 1.77 1.05 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 18 I 7.88 3.74 2.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.05 0.87 0.00 0.00 19 G 7.96 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.51 4.41 0.00 2.69 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 21 L 8.11 4.02 0.00 1.72 1.66 0.87 0.61 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 22 T 7.83 3.85 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 1.18 0.00 0.00 23 I 7.92 3.74 1.94 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 1.46 1.01 1.01 0.00 0.00 24 A 7.97 4.00 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 25 V 7.59 3.52 2.20 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 1.11 0.00 0.00 0.99 0.00 0.00 26 T 7.86 3.81 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 1.19 0.00 0.00 27 V 8.21 3.63 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 1.11 0.00 0.00 0.99 0.00 0.00 28 L 7.71 3.75 0.00 1.72 1.62 -0.29 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 29 K 7.93 3.88 0.00 1.82 1.83 0.00 1.78 0.00 0.00 1.80 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.43 7.81 30 D 8.43 4.44 0.00 2.76 2.45 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 31 Y 8.08 3.88 0.00 3.03 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 32 E 8.44 4.20 0.00 2.12 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 2.47 2.60 0.00 33 G 7.63 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 7.85 4.36 0.00 1.68 1.49 0.00 1.50 0.00 0.00 1.69 0.00 0.00 2.78 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.39 1.25 7.81 35 A 8.55 3.98 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 F 8.35 4.31 0.00 3.39 3.36 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 37 L 7.19 3.99 0.00 1.50 1.63 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 38 R 7.73 4.35 0.00 1.92 1.96 0.00 3.17 0.00 0.00 3.24 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 39 E 7.60 4.35 0.00 2.31 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 0.00 2.39 2.42 0.00 40 P 0.00 4.28 0.00 2.17 2.10 0.00 3.61 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 41 Q 8.01 4.17 0.00 2.10 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 7.11 0.00 0.00 0.00 0.00 0.00 1.92 2.20 0.00 42 H 8.06 4.95 0.00 3.47 3.33 0.00 5.62 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 43 Q 8.10 3.98 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.39 6.78 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 44 T 7.90 3.83 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 1.22 0.00 0.00 45 K 8.01 3.91 0.00 1.86 2.00 0.00 1.78 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.48 7.81 46 R 8.48 3.94 0.00 2.08 2.08 0.00 3.29 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.87 0.00 47 Q 8.64 4.06 0.00 2.30 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.29 2.44 0.00 48 C 8.17 4.17 0.00 3.15 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 49 I 7.81 3.53 1.99 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.77 0.58 0.00 0.00 50 W 8.30 3.90 0.00 3.48 3.33 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 51 R 8.35 3.43 0.00 1.66 1.29 0.00 3.10 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.75 0.00 52 L 7.94 3.93 0.00 1.77 1.81 0.94 1.21 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 53 C 8.00 4.23 0.00 2.86 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 54 V 8.19 3.67 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 1.16 0.00 0.00 1.29 0.00 0.00 55 Y 8.23 4.60 0.00 3.09 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 56 S 7.92 4.14 0.00 4.00 4.05 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 0.00 0.00 0.00 0.00 57 I 8.04 3.78 2.15 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.58 1.14 0.00 0.00 58 V 8.42 3.81 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 0.98 0.00 0.00 1.15 0.00 0.00 59 I 8.13 3.76 2.13 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 1.53 0.61 0.94 0.00 0.00 60 N 8.47 4.50 0.00 2.89 2.90 0.00 0.00 7.05 7.28 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 61 C 8.65 4.24 0.00 3.20 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 62 R 8.24 4.05 0.00 2.02 2.02 0.00 3.38 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.86 0.00 63 K 8.20 4.06 0.00 2.05 1.92 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.69 7.81 64 Y 8.13 4.03 0.00 3.12 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 V 7.90 3.62 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 1.18 0.00 0.00 66 E 8.65 3.90 0.00 2.12 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 2.31 2.49 0.00 67 L 8.18 3.89 0.00 1.84 1.70 1.06 0.67 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 68 N 7.55 4.19 0.00 2.72 2.76 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 2.16 2.35 0.00 81 G 8.22 3.89 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 0.00 0.00 0.00 82 H 7.95 4.93 0.00 3.23 3.30 0.00 5.68 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 N 8.48 4.26 0.00 2.91 2.91 0.00 0.00 6.78 7.79 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 84 H 8.13 4.41 0.00 3.35 3.32 0.00 5.93 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 I 7.93 3.84 2.00 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 1.55 1.14 1.03 0.00 0.00 86 R 7.54 4.27 0.00 2.02 2.00 0.00 3.41 0.00 0.00 3.32 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.66 0.00 87 G 7.88 3.66 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 0.00 0.00 0.00 88 V 7.81 3.60 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 0.93 0.00 0.00 0.86 0.00 0.00 89 Y 8.29 4.00 0.00 3.04 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 90 N 8.84 4.66 0.00 3.10 3.15 0.00 0.00 6.85 6.31 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 91 N 8.47 4.39 0.00 3.10 2.92 0.00 0.00 7.21 7.17 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 92 E 8.39 3.91 0.00 2.37 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 2.57 2.51 0.00 93 I 7.61 3.82 2.23 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.89 1.06 0.00 0.00 94 N 7.82 4.52 0.00 2.81 2.91 0.00 0.00 7.13 7.80 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 95 K 8.17 4.23 0.00 1.88 1.84 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.68 7.81 96 N 7.95 4.58 0.00 2.66 2.66 0.00 0.00 6.96 7.24 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 97 T 8.07 4.01 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 1.25 0.00 0.00 98 A 7.45 4.23 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 99 I 7.67 3.59 2.04 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.73 1.00 0.00 0.00 100 K 7.97 3.95 0.00 1.84 1.81 0.00 1.75 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.55 7.81 101 K 8.06 3.92 0.00 2.01 1.84 0.00 1.89 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.74 7.81 102 L 8.48 4.04 0.00 1.77 1.93 0.98 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 0.00 103 R 8.16 3.85 0.00 2.01 2.10 0.00 3.25 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 104 N 8.49 4.28 0.00 2.95 2.87 0.00 0.00 6.76 7.75 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 0.00 105 H 7.87 4.18 0.00 3.23 3.51 0.00 5.96 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 C 7.76 3.61 0.00 1.30 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 0.00 107 V 7.41 3.95 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 0.87 0.00 0.00 0.88 0.00 0.00 108 A 7.03 4.15 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 0.00 109 H 8.51 4.39 0.00 3.17 3.15 0.00 5.69 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 V 8.19 3.63 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 0.83 0.00 0.00 0.88 0.00 0.00 111 S 8.35 4.22 0.00 4.01 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 0.00 112 D 7.77 4.56 0.00 2.66 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 0.00 113 K 8.21 4.52 0.00 1.82 1.78 0.00 1.55 0.00 0.00 1.74 0.00 0.00 2.13 0.00 0.00 2.35 0.00 0.00 0.00 0.00 1.23 1.23 7.81 114 S 8.23 4.32 0.00 4.03 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 K 7.85 4.47 0.00 1.79 1.89 0.00 1.83 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.36 1.41 7.81 116 Y 7.65 4.31 0.00 2.95 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 0.00 117 L 7.65 4.57 0.00 1.16 1.32 0.90 0.88 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 0.00 118 K 8.74 3.98 0.00 1.80 1.73 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.63 1.65 7.81 119 P 0.00 4.18 0.00 2.14 2.12 0.00 3.61 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.20 0.00 120 A 7.91 4.00 1.29 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 0.00 0.00 0.00 121 E 8.03 3.85 0.00 2.17 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 2.36 2.32 0.00 122 V 8.06 3.53 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0.00 0.00 0.00 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 G 6.70 3.67 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 0.00 0.00 0.00 133 N 8.02 4.54 0.00 2.13 2.55 0.00 0.00 6.54 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 0.00 134 F 7.73 5.27 0.00 2.99 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 0.00 135 A 8.73 4.26 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 0.00 136 D 8.32 4.43 0.00 2.84 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 0.00 137 E 8.39 4.02 0.00 2.17 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 0.00 2.47 2.47 0.00 138 F 8.51 4.21 0.00 3.27 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 L 8.72 4.14 0.00 2.01 1.80 0.93 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 140 D 8.50 4.59 0.00 2.96 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 0.00 141 W 8.45 4.26 0.00 3.43 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 I 7.83 3.57 1.94 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.71 0.81 0.00 0.00 143 C 8.08 4.42 0.00 2.74 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 0.00 144 P 0.00 4.71 0.00 2.18 2.03 0.00 3.50 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.18 0.00 145 D 8.41 4.37 0.00 2.68 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 N 8.78 4.11 0.00 2.84 2.80 0.00 0.00 6.62 7.32 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 0.00 147 I 7.60 3.66 1.82 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.68 0.87 0.00 0.00 148 S 7.28 4.15 0.00 3.86 3.85 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 0.00 149 T 7.40 4.32 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 0.00 150 T 7.26 4.43 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 1.18 0.00 0.00 151 D 8.71 4.34 0.00 2.68 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 K 8.52 4.08 0.00 1.72 1.92 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.41 7.81 153 S 8.52 4.22 0.00 3.95 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 0.00 154 E 8.16 4.68 0.00 2.06 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 2.32 2.33 0.00 155 S 7.20 4.54 0.00 4.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 L 7.75 2.92 0.00 0.61 1.26 0.10 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 157 V 7.46 3.48 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 0.85 0.00 0.00 0.83 0.00 0.00 158 G 7.73 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 V 7.46 3.35 1.41 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 0.81 0.00 0.00 0.32 0.00 0.00 160 I 7.60 3.81 1.87 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.33 0.93 0.00 0.00 161 E 8.19 3.90 0.00 2.05 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 2.25 2.27 0.00 162 L 7.94 3.88 0.00 1.81 1.45 0.83 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 163 L 7.74 4.02 0.00 1.91 1.74 1.02 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 164 R 8.01 3.89 0.00 1.88 1.93 0.00 3.11 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 165 D 7.97 4.38 0.00 2.76 2.72 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 0.00 0.00 0.00 166 A 7.41 4.11 1.43 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 0.00 167 V 8.02 3.73 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 1.05 0.00 0.00 1.16 0.00 0.00 168 S 7.95 4.48 0.00 4.03 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 A 7.54 4.02 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 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.