NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 D 4.3975 8.3649 120.5264 53.7174 43.3567 176.5278 9 F 4.2925 7.7108 119.4396 54.7264 40.6241 174.6115 10 S 4.4215 8.5705 116.4757 60.5506 64.5282 174.6915 11 S 4.7815 7.6771 113.8770 55.2862 67.3527 174.3672 12 L 4.0014 8.6348 122.4155 58.3937 41.3334 180.0262 13 K 4.0635 8.0825 117.5370 59.4780 31.7455 179.1214 14 E 3.9305 7.6611 118.1988 59.1435 29.6749 178.5357 15 E 2.5719 7.8829 119.2336 59.2180 29.6563 178.6371 16 T 3.9653 8.3294 115.8340 67.0847 68.6145 176.2977 17 A 4.0664 7.9232 121.9728 54.8961 18.1827 179.0518 18 Y 3.8879 7.7325 118.5606 60.8316 38.8875 178.3533 19 W 3.9798 7.9110 119.3232 59.3810 29.0260 178.3066 20 K 3.9403 8.3177 119.3041 59.4496 31.7096 178.1170 21 E 3.9976 7.8355 118.3148 59.1237 29.8944 178.1184 22 L 3.9027 7.8116 120.8784 57.8474 42.1053 180.7341 23 S 4.5872 8.5688 115.0563 58.2200 63.0218 176.4548 *25 K 4.1740 8.0692 122.9232 57.8905 33.9998 178.1412 26 Y 4.3801 7.9678 116.3544 60.5553 37.6172 177.8723 27 K 4.0116 8.4916 121.1575 59.7890 32.3115 178.3395 28 Q 3.9888 8.1952 119.0197 59.4770 28.8975 178.4816 29 S 4.1729 8.0704 115.5206 61.4739 62.8362 176.3995 30 F 4.2825 8.5828 123.3935 61.5556 39.1439 176.8876 31 Q 3.4897 8.2439 117.6770 59.1273 28.4673 179.2079 32 E 3.8786 8.2065 118.9953 59.3377 29.4811 179.3252 33 A 3.9575 8.3641 121.2868 55.0387 18.4372 179.7380 34 R 3.7252 8.0361 117.6930 59.5327 30.0516 178.5667 35 D 4.2790 8.1115 119.0023 57.0989 40.8460 178.0664 36 E 3.9045 8.3818 120.2632 59.3758 29.6026 178.5902 37 L 3.9758 7.9546 120.0751 58.2350 42.0321 179.1297 38 V 3.5778 7.8644 117.9942 65.9267 31.4284 177.3945 39 E 3.9086 8.5497 119.4973 59.4993 29.3796 178.6539 40 F 4.0515 8.3838 120.4682 61.2241 39.4205 177.2265 41 Q 3.9957 8.3006 117.7282 59.1289 28.6173 178.4596 42 E 4.0705 8.5024 119.9749 59.1632 29.5137 179.5141 43 G 3.5754 8.3538 106.2215 47.9684 0.0000 175.8912 44 S 3.9222 8.0266 118.0304 61.2401 62.7708 177.0368 45 R 4.0396 7.9243 120.7073 59.1323 29.9199 178.6054 46 E 3.8918 8.2455 119.1231 59.3770 29.6276 179.0148 47 L 3.9634 7.6796 118.3230 57.8563 41.7002 179.2320 48 E 3.9324 8.6974 118.6561 59.5018 29.4118 179.4023 49 A 4.3001 8.3482 122.3225 54.2710 18.3361 179.5971 50 E 3.8996 7.9216 117.0888 59.6217 29.4974 179.5561 51 L 3.9563 7.8298 118.8371 57.7778 41.1968 179.1182 52 E 3.9168 8.2768 118.3714 59.7204 29.4030 179.5132 53 A 4.0632 8.1108 120.3442 55.2483 18.4407 179.6720 54 Q 4.0164 8.0699 116.6177 58.6638 28.7168 178.3844 55 L 4.0334 8.1303 121.8591 57.6144 42.0382 179.1253 56 V 3.5569 7.8075 118.4225 66.1801 31.4657 178.0748 57 Q 4.1027 7.9181 117.2198 58.7483 28.5008 178.5964 58 A 3.9783 7.9232 121.6679 55.4772 18.4279 179.6929 59 E 3.9729 8.5504 117.2115 59.3452 29.4321 179.7645 60 Q 3.9835 8.2036 118.5377 59.0145 28.8291 178.7461 61 R 3.9544 8.2614 119.3697 59.2746 30.0828 178.9800 62 N 4.2950 8.3273 116.2598 56.2661 38.5977 177.1872 63 R 3.8932 8.2775 120.5117 59.8250 30.0949 178.2321 64 D 4.3880 8.1577 118.3542 57.3917 40.7796 178.7924 65 L 4.0221 7.9185 119.5278 57.6854 41.5592 179.3904 66 Q 3.9028 8.7392 119.7192 59.0046 28.8515 177.7780 67 A 4.0002 8.4099 122.3108 55.6255 18.4955 179.2190 68 D 4.3063 8.2670 116.0860 57.2437 41.2085 178.2183 69 N 4.3630 8.2984 117.4574 56.3989 38.5908 177.3533 70 Q 4.1083 8.3431 119.1609 58.2889 28.6181 178.6960 71 R 3.9999 7.7840 120.3806 59.4465 30.0989 178.5220 72 L 4.0369 7.8945 118.6589 57.5196 41.5930 179.3839 73 K 3.8842 8.4857 120.1236 59.7226 32.0541 178.5259 74 Y 4.1618 7.9124 117.0333 61.0295 37.7506 178.1369 75 E 3.9571 8.1398 120.4957 59.1786 29.7427 179.0737 76 V 3.5736 8.0617 118.4549 66.2151 31.7566 177.9811 77 E 4.0665 8.3175 117.9227 58.9705 29.3763 179.1538 78 A 4.0478 8.3721 121.5244 55.1677 18.3658 179.6519 79 L 4.0439 8.0218 117.4624 57.6214 41.7171 179.7668 80 K 4.0483 8.2407 118.5105 58.9028 31.9277 179.1401 81 E 3.9267 8.1229 119.8364 59.1457 29.7093 178.9256 82 K 3.9452 7.8616 118.0962 59.3938 32.1369 179.1196 83 L 3.7142 8.1772 120.9445 58.1514 41.9344 178.7329 84 E 4.1328 8.1861 118.5421 59.8684 29.4096 178.9270 85 H 4.1730 8.0563 117.7276 59.1867 29.9006 177.4031 86 Q 4.0555 8.0292 119.9398 58.9675 28.5549 178.1229 87 Y 4.4277 7.8675 117.7328 60.6912 37.8687 178.2483 88 A 3.9842 7.8327 121.5766 55.4866 18.5751 179.7952 89 Q 4.0134 8.0886 116.4009 58.8533 28.6867 178.7081 90 S 4.0915 8.2871 114.3262 61.7682 62.4264 175.4457 91 Y 3.9110 8.0465 121.8578 60.7769 38.3978 178.4712 92 K 4.0505 8.1513 118.5614 59.6534 32.1868 179.2047 93 Q 3.9756 8.4837 118.5830 59.2557 28.8446 179.4917 94 V 3.5634 8.6074 119.6001 65.5530 31.3101 178.0264 95 S 3.8947 7.9234 113.3977 61.1938 62.2129 176.3628 96 V 3.5695 7.7247 120.8459 66.1159 31.4998 177.8217 97 L 3.9807 8.1888 119.0855 57.8980 41.3514 179.3789 98 E 3.8979 8.0689 118.9508 59.2264 29.6319 178.1589 99 D 4.3380 7.8038 118.2304 57.5747 41.1449 178.1234 100 D 4.3550 8.0403 119.4259 57.0214 40.7845 178.4995 101 L 3.9291 7.8103 120.7364 58.2580 42.2135 179.2767 102 S 4.2134 8.0747 113.9269 60.9813 62.8541 176.1422 103 Q 3.9503 8.1308 123.6737 59.2659 28.7902 177.7090 104 T 3.8450 8.2743 117.2090 66.9426 68.5666 176.7099 105 R 3.9287 8.1121 119.6450 58.9540 30.2067 178.9448 106 A 4.0247 7.9359 120.7949 55.0605 18.3343 179.8280 107 I 3.6487 8.0254 118.6065 64.3841 37.2600 178.4100 108 K 3.8581 8.2991 120.8013 59.4520 31.8464 178.1797 109 E 3.9475 8.0837 119.1397 59.6243 29.5863 178.9033 110 Q 4.0177 7.9745 117.5392 59.0565 28.7288 178.9042 111 L 4.2781 8.2334 120.0205 57.8065 41.0730 179.1225 112 H 4.3684 8.0955 118.0066 59.0232 29.8956 177.3335 113 K 3.8031 8.3260 120.5731 59.7488 31.8723 178.7088 114 Y 4.2075 8.6196 120.3818 60.5872 38.7228 177.9277 115 V 3.5082 8.0604 120.2817 65.3284 31.1133 178.6762 116 R 4.0360 7.5521 118.0296 58.7279 29.8912 178.5062 117 E 3.8752 7.8191 118.7844 59.3363 29.6745 178.9856 118 L 3.8552 7.7145 119.0141 57.4981 41.5986 179.3702 119 E 3.9138 7.9764 118.8446 59.1220 29.3097 178.8255 120 Q 3.8881 8.4099 119.8596 59.4102 29.1540 178.4419 121 A 3.9608 7.9294 121.4728 55.3132 18.2934 179.3849 122 N 4.3075 8.1241 114.9233 56.4136 38.4866 177.4212 123 D 4.3016 8.1419 120.2934 57.4687 40.8830 178.3878 124 D 4.3597 8.3293 119.6624 57.4734 40.7825 178.9672 125 L 3.9564 7.9357 119.2836 57.8144 41.6382 179.2888 126 E 3.8728 8.1927 119.2595 59.1904 29.7189 178.6953 127 R 3.8775 8.3516 118.9460 59.3330 30.0466 178.4417 128 A 3.9442 8.2974 120.7180 55.0106 18.4463 179.1367 129 K 3.7357 8.5367 118.6926 60.2328 31.9076 179.0085 130 R 3.9637 7.8871 116.4713 58.9619 30.0455 178.5976 131 A 4.1550 7.7440 119.6472 55.2153 18.6470 179.4464 132 T 4.0207 8.0508 114.3260 66.9136 68.5378 177.1411 133 I 3.6491 7.5769 117.8663 62.7965 37.2244 177.5819 *135 S 4.4375 7.9699 116.7448 58.4109 64.2348 175.9489 136 L 4.0836 8.3203 120.5302 57.8391 41.3896 179.2402 137 E 4.1920 8.9258 118.9268 59.1867 29.3386 178.7825 138 D 4.3370 8.1831 117.7223 57.6480 41.3128 178.3454 139 F 3.9128 8.3528 118.0350 60.3977 38.8101 177.4249 140 E 4.0289 8.3745 118.3647 59.6416 29.3311 179.2623 141 Q 3.9540 8.2045 119.3778 59.1456 29.0414 178.4654 142 R 3.8636 7.8338 119.0520 59.2548 30.0642 178.9518 143 L 4.0119 8.3579 119.1361 57.8612 41.6122 179.3493 144 N 4.3326 8.3910 116.4446 56.6104 38.5494 177.5506 145 Q 4.1634 8.2533 119.0849 58.8091 28.6699 178.6944 146 A 4.0339 8.2620 122.0991 54.9898 18.3318 179.7776 147 I 3.6511 7.9742 118.4010 64.6274 37.2469 178.3800 148 E 4.0167 8.2377 119.3060 59.6988 29.3402 179.8440 149 R 4.0073 8.0805 117.9353 59.3073 30.1028 178.9324 150 N 4.4053 8.5067 116.3003 56.1666 38.5426 177.4342 151 A 4.0012 8.5231 122.7412 54.9982 18.5306 179.3776 152 F 3.8907 8.3054 119.2670 61.4499 39.4647 177.1805 153 L 4.5234 8.1618 121.2808 57.3994 41.6232 178.3909 154 E 3.8868 8.0553 118.9209 59.2206 29.8492 178.5165 155 S 4.1816 7.8753 114.0946 61.8344 62.7778 176.1806 156 E 3.7925 7.7701 122.5953 58.9428 29.1458 179.4661 157 L 4.0353 7.8052 118.2186 57.3108 41.7103 178.8427 158 D 4.4762 8.1284 118.5464 57.1088 40.9394 178.2444 159 E 3.8675 7.9505 118.7086 59.1993 29.7123 178.5776 160 K 3.8154 7.6322 119.8052 59.7825 32.2732 178.0833 161 E 3.9715 8.1496 119.2327 59.4751 29.3385 178.4712 162 S 4.3761 7.8433 112.3633 60.0402 63.0051 174.5953 163 L 4.5047 7.3449 119.7784 55.9681 43.2817 178.0616 164 L 4.2287 8.3816 120.2387 57.0618 42.1032 177.0672 165 V 3.6597 7.1960 113.2012 62.3741 30.8168 176.0108 166 S 4.8065 8.2829 121.7979 56.8835 66.3505 173.3593 167 V 4.1308 8.0856 117.7803 61.2762 32.3410 175.4067 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 8 D 8.36 4.40 0.00 2.73 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 9 F 7.71 4.29 0.00 3.13 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 10 S 8.57 4.42 0.00 4.01 4.02 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 11 S 7.68 4.78 0.00 4.03 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 12 L 8.63 4.00 0.00 1.78 1.81 0.98 0.90 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 13 K 8.08 4.06 0.00 1.81 1.87 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.55 7.81 14 E 7.66 3.93 0.00 2.12 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 0.00 2.38 2.53 0.00 15 E 7.88 2.57 0.00 1.95 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 2.56 2.24 0.00 16 T 8.33 3.97 4.49 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 0.00 0.00 0.00 1.23 0.00 0.00 17 A 7.92 4.07 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 18 Y 7.73 3.89 0.00 2.52 2.46 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 19 W 7.91 3.98 0.00 3.41 3.13 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 20 K 8.32 3.94 0.00 1.81 1.84 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.46 7.81 21 E 7.84 4.00 0.00 1.96 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 22 L 7.81 3.90 0.00 1.17 1.67 0.59 1.09 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 23 S 8.57 4.59 0.00 4.10 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 0.00 *25 K 8.07 4.17 0.00 1.74 1.71 0.00 1.45 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.52 7.81 26 Y 7.97 4.38 0.00 3.02 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 27 K 8.49 4.01 0.00 2.03 1.90 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.54 1.61 7.81 28 Q 8.20 3.99 0.00 2.18 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.68 0.00 0.00 0.00 0.00 0.00 2.54 2.47 0.00 29 S 8.07 4.17 0.00 4.29 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 30 F 8.58 4.28 0.00 3.10 3.39 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 31 Q 8.24 3.49 0.00 2.32 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.58 0.00 0.00 0.00 0.00 0.00 2.32 2.71 0.00 32 E 8.21 3.88 0.00 2.17 1.98 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 2.31 2.51 0.00 33 A 8.36 3.96 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 34 R 8.04 3.73 0.00 1.21 1.68 0.00 2.99 0.00 0.00 2.77 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.52 0.00 35 D 8.11 4.28 0.00 2.78 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 36 E 8.38 3.90 0.00 2.11 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 0.00 2.29 2.34 0.00 37 L 7.95 3.98 0.00 1.89 1.83 0.95 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 38 V 7.86 3.58 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 1.02 0.00 0.00 0.97 0.00 0.00 39 E 8.55 3.91 0.00 2.10 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 0.00 2.35 2.42 0.00 40 F 8.38 4.05 0.00 3.28 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 41 Q 8.30 4.00 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.47 2.70 0.00 42 E 8.50 4.07 0.00 1.99 1.98 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 2.32 2.48 0.00 43 G 8.35 3.58 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 0.00 0.00 0.00 44 S 8.03 3.92 0.00 3.84 3.94 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 45 R 7.92 4.04 0.00 1.91 1.95 0.00 3.22 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 46 E 8.25 3.89 0.00 2.07 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 0.00 2.28 2.34 0.00 47 L 7.68 3.96 0.00 1.83 1.64 0.83 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.70 3.93 0.00 2.05 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 2.31 2.33 0.00 49 A 8.35 4.30 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 50 E 7.92 3.90 0.00 2.24 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 2.31 2.33 0.00 51 L 7.83 3.96 0.00 1.87 1.70 0.91 1.01 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 52 E 8.28 3.92 0.00 2.13 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 0.00 2.33 2.43 0.00 53 A 8.11 4.06 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 54 Q 8.07 4.02 0.00 2.30 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 55 L 8.13 4.03 0.00 1.87 1.83 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 56 V 7.81 3.56 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 1.07 0.00 0.00 0.99 0.00 0.00 57 Q 7.92 4.10 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.52 2.52 0.00 58 A 7.92 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 59 E 8.55 3.97 0.00 1.97 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 0.00 2.33 2.49 0.00 60 Q 8.20 3.98 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 61 R 8.26 3.95 0.00 1.97 1.98 0.00 3.12 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 62 N 8.33 4.29 0.00 2.74 2.86 0.00 0.00 6.63 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 63 R 8.28 3.89 0.00 1.94 2.20 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 64 D 8.16 4.39 0.00 2.89 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 65 L 7.92 4.02 0.00 1.83 1.71 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 66 Q 8.74 3.90 0.00 2.19 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 67 A 8.41 4.00 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 68 D 8.27 4.31 0.00 2.94 2.68 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 69 N 8.30 4.36 0.00 2.92 2.83 0.00 0.00 6.93 7.26 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 70 Q 8.34 4.11 0.00 2.14 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.82 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 71 R 7.78 4.00 0.00 2.11 2.10 0.00 3.16 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 72 L 7.89 4.04 0.00 1.77 1.70 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 73 K 8.49 3.88 0.00 1.78 1.65 0.00 1.57 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.18 1.35 7.81 74 Y 7.91 4.16 0.00 3.09 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 E 8.14 3.96 0.00 2.08 2.22 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 2.33 2.34 0.00 76 V 8.06 3.57 2.22 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 0.98 0.00 0.00 0.95 0.00 0.00 77 E 8.32 4.07 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 2.45 0.00 78 A 8.37 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.02 4.04 0.00 1.73 1.72 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 80 K 8.24 4.05 0.00 1.97 1.89 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.46 7.81 81 E 8.12 3.93 0.00 2.22 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 2.37 0.00 82 K 7.86 3.95 0.00 1.85 1.80 0.00 1.71 0.00 0.00 1.55 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.52 7.81 83 L 8.18 3.71 0.00 1.75 1.63 0.68 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 84 E 8.19 4.13 0.00 2.33 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 2.50 2.52 0.00 85 H 8.06 4.17 0.00 3.34 3.38 0.00 5.58 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 Q 8.03 4.06 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.58 0.00 0.00 0.00 0.00 0.00 2.50 2.44 0.00 87 Y 7.87 4.43 0.00 3.18 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 A 7.83 3.98 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 89 Q 8.09 4.01 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.72 0.00 0.00 0.00 0.00 0.00 2.40 2.59 0.00 90 S 8.29 4.09 0.00 3.97 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 91 Y 8.05 3.91 0.00 3.33 3.14 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 0.00 0.00 0.00 0.00 92 K 8.15 4.05 0.00 2.10 1.89 0.00 1.77 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.56 1.73 7.81 93 Q 8.48 3.98 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 94 V 8.61 3.56 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 0.90 0.00 0.00 0.91 0.00 0.00 95 S 7.92 3.89 0.00 3.80 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 96 V 7.72 3.57 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 0.97 0.00 0.00 0.93 0.00 0.00 97 L 8.19 3.98 0.00 1.82 1.70 0.91 0.73 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 98 E 8.07 3.90 0.00 2.30 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 99 D 7.80 4.34 0.00 2.69 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 0.00 100 D 8.04 4.36 0.00 2.89 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 0.00 101 L 7.81 3.93 0.00 1.78 1.81 0.91 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 102 S 8.07 4.21 0.00 4.10 4.10 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 0.00 0.00 0.00 103 Q 8.13 3.95 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 104 T 8.27 3.84 4.42 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 1.21 0.00 0.00 105 R 8.11 3.93 0.00 2.02 1.97 0.00 3.25 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 106 A 7.94 4.02 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 0.00 107 I 8.03 3.65 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.71 0.91 0.00 0.00 108 K 8.30 3.86 0.00 1.91 1.83 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.45 7.81 109 E 8.08 3.95 0.00 2.21 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 0.00 2.32 2.42 0.00 110 Q 7.97 4.02 0.00 2.34 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.55 0.00 111 L 8.23 4.28 0.00 1.88 1.78 0.94 0.85 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 0.00 112 H 8.10 4.37 0.00 3.40 3.43 0.00 5.79 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 0.00 113 K 8.33 3.80 0.00 2.01 1.90 0.00 1.74 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.48 7.81 114 Y 8.62 4.21 0.00 3.09 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 0.00 115 V 8.06 3.51 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 0.80 0.00 0.00 0.97 0.00 0.00 116 R 7.55 4.04 0.00 1.83 1.97 0.00 3.12 0.00 0.00 3.03 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 117 E 7.82 3.88 0.00 2.03 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.32 0.00 118 L 7.71 3.86 0.00 1.66 1.53 0.76 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 119 E 7.98 3.91 0.00 2.11 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 2.39 0.00 120 Q 8.41 3.89 0.00 2.04 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 121 A 7.93 3.96 1.33 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 0.00 0.00 122 N 8.12 4.31 0.00 2.85 2.85 0.00 0.00 6.96 8.05 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 0.00 123 D 8.14 4.30 0.00 2.85 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 0.00 124 D 8.33 4.36 0.00 2.80 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 L 7.94 3.96 0.00 1.88 1.71 0.91 0.66 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 0.00 126 E 8.19 3.87 0.00 2.18 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 2.30 2.35 0.00 127 R 8.35 3.88 0.00 1.96 2.10 0.00 3.14 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 128 A 8.30 3.94 1.36 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 2.35 2.50 0.00 138 D 8.18 4.34 0.00 2.81 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 0.00 139 F 8.35 3.91 0.00 3.18 3.12 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 0.00 140 E 8.37 4.03 0.00 2.22 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 2.38 2.54 0.00 141 Q 8.20 3.95 0.00 2.18 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 142 R 7.83 3.86 0.00 1.91 1.82 0.00 2.61 0.00 0.00 2.87 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.64 0.00 143 L 8.36 4.01 0.00 1.86 1.76 1.01 0.66 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 0.00 144 N 8.39 4.33 0.00 2.89 2.87 0.00 0.00 7.04 7.62 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 0.00 145 Q 8.25 4.16 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.51 2.49 0.00 146 A 8.26 4.03 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 0.00 147 I 7.97 3.65 2.04 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 1.54 0.79 0.93 0.00 0.00 148 E 8.24 4.02 0.00 2.16 2.02 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 2.35 2.48 0.00 149 R 8.08 4.01 0.00 1.89 2.00 0.00 3.11 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.82 0.00 150 N 8.51 4.41 0.00 2.86 2.88 0.00 0.00 6.91 6.72 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 0.00 151 A 8.52 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 152 F 8.31 3.89 0.00 3.34 3.22 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 0.00 153 L 8.16 4.52 0.00 1.91 1.70 1.00 0.57 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 0.00 154 E 8.06 3.89 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 2.30 2.31 0.00 155 S 7.88 4.18 0.00 3.94 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 0.00 156 E 7.77 3.79 0.00 2.15 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 2.18 2.07 0.00 157 L 7.81 4.04 0.00 1.84 1.69 0.92 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 158 D 8.13 4.48 0.00 2.95 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 0.00 159 E 7.95 3.87 0.00 1.98 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 2.50 2.24 0.00 160 K 7.63 3.82 0.00 1.76 1.81 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.46 7.81 161 E 8.15 3.97 0.00 2.08 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 0.00 2.30 2.35 0.00 162 S 7.84 4.38 0.00 3.97 3.88 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 0.00 163 L 7.34 4.50 0.00 1.67 1.62 0.91 0.90 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 0.00 164 L 8.38 4.23 0.00 1.70 1.78 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 165 V 7.20 3.66 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 0.65 0.00 0.00 1.05 0.00 0.00 166 S 8.28 4.81 0.00 3.56 3.56 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 0.00 167 V 8.09 4.13 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 0.86 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.