NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 V 3.8671 8.0549 120.3862 62.6287 32.8451 174.5232 *11 R 4.1909 8.0546 123.9202 56.1963 32.0376 174.3916 12 K 4.9096 8.3222 119.6475 54.9856 35.1814 175.4161 13 I 4.4949 8.2532 124.1378 59.4720 40.1378 174.5444 14 I 4.5817 7.9452 128.7754 60.1368 38.7672 174.8057 15 I 4.7256 8.8574 128.6386 58.9833 38.8350 176.5438 16 A 4.3668 8.8802 132.6768 49.4109 15.2454 176.9378 17 S 4.6556 7.6263 115.9246 57.8720 66.6067 177.0904 18 Q 4.5647 8.6299 123.4967 55.3793 29.6648 175.5899 19 N 4.3327 7.9914 117.9404 53.3230 39.6020 173.2797 20 P 4.2441 0.0000 0.0000 65.9687 31.4889 178.3879 21 A 4.0044 8.2428 119.2523 54.8759 18.2016 179.9904 22 K 4.0027 7.9672 116.6789 59.6602 32.2555 179.3818 23 V 3.5985 7.6657 118.3070 66.3383 31.3825 177.8709 24 N 4.2232 8.4181 115.9021 55.9716 38.3731 177.1611 25 A 4.0152 8.0637 122.3055 55.2936 18.4808 179.9414 26 V 3.6072 7.7781 116.6088 66.0785 31.5793 178.0210 27 R 2.5100 7.7889 118.7035 59.1373 29.7383 178.3832 28 S 4.0369 8.0131 112.4963 61.2727 62.4099 175.9249 29 A 3.9186 8.1282 123.4519 55.3063 18.0879 179.6965 30 F 3.9576 8.5334 116.3147 60.7358 38.8464 178.1641 31 S 4.3920 8.6317 115.1265 61.7853 62.3603 176.9152 32 T 3.8661 7.8054 117.6221 66.8566 68.3781 176.7909 33 V 3.7092 7.3443 112.2465 62.0626 33.4298 176.7292 34 F 5.2611 8.0146 117.1351 55.1746 38.7696 174.1519 35 P 4.7501 0.0000 0.0000 64.7452 31.8037 177.8580 36 D 4.7114 8.1810 116.5909 54.3063 41.2366 175.7104 37 Q 4.5112 7.7938 117.7901 53.8550 31.4447 174.7291 38 E 4.7019 7.5419 117.8216 54.4453 33.0357 175.3174 39 W 5.1040 8.4906 121.0525 54.8593 33.7262 174.2547 40 E 4.4383 9.0088 122.1553 55.6038 30.4793 175.3549 41 F 4.9759 8.8901 123.6401 56.0474 40.8236 175.3426 42 I 4.5073 9.0099 124.8746 59.3671 40.4506 174.7589 43 G 4.2865 8.7156 114.7816 44.8457 0.0000 173.0585 44 V 4.7121 8.9395 117.8153 59.5668 36.1670 174.6578 45 S 5.0363 8.6214 118.3057 57.1714 64.0954 174.2815 46 V 4.5867 8.2056 116.8885 58.6870 35.6198 173.6096 47 P 4.4858 0.0000 0.0000 62.7345 31.9658 176.9844 48 S 4.3337 8.6271 115.0849 58.4499 63.8682 175.2968 49 E 3.8453 8.4328 117.7988 56.9253 26.7025 173.4721 50 V 4.5084 7.4156 111.2018 58.9382 35.4518 175.0783 51 A 4.1802 8.5002 123.3641 52.5501 18.5520 177.8342 52 D 4.3902 8.7690 120.6823 56.6233 41.0365 176.2199 53 Q 4.4519 7.6643 119.2467 53.4074 30.4763 173.7028 54 P 5.0056 0.0000 0.0000 61.5702 33.3308 175.1984 *56 S 4.6271 8.4348 113.4815 58.7557 64.4097 174.5294 57 D 4.7192 10.0012 120.6277 57.7929 40.8804 178.2395 58 E 3.8691 8.2989 119.0869 59.4401 29.6184 178.2678 59 E 3.9265 8.4102 119.1714 59.5116 29.8300 178.7441 60 T 4.0779 8.1723 115.7707 66.6879 68.5781 176.4282 61 K 3.5093 8.0756 121.3374 59.3428 32.0710 178.5755 62 Q 3.9640 8.2277 120.0783 59.0266 28.8879 178.3439 63 G 3.6928 8.4553 106.9197 47.1376 0.0000 175.5404 64 A 4.0255 7.9303 122.7850 54.7593 18.4109 179.5285 65 L 3.8926 8.1609 117.9301 58.1620 41.7012 179.5580 66 N 4.3014 8.5862 116.4451 56.4305 38.4320 177.5947 67 R 3.9375 8.1788 119.4932 59.3682 30.1790 179.2895 68 V 3.6404 7.7633 117.8056 65.9773 31.5429 178.0258 69 R 3.7988 8.1504 118.5210 59.5515 29.8409 178.3263 70 N 4.3606 8.6615 116.5396 56.0011 38.5164 177.3280 71 A 4.1001 8.4123 122.7250 55.2011 18.3105 179.7971 72 K 3.3865 7.6542 115.7997 59.4432 32.0736 179.0970 73 Q 4.0481 7.7427 118.8234 59.1456 29.0750 177.9443 74 R 4.1886 8.1453 118.2136 57.6611 31.6753 176.6366 75 H 4.9916 8.5247 114.5446 53.3879 28.9396 171.5094 76 P 4.5723 0.0000 0.0000 63.5054 32.3917 177.3801 77 G 4.0274 9.0746 107.4311 45.6278 0.0000 174.2503 78 A 4.0549 7.3727 121.4725 51.9186 19.0366 177.1319 79 E 3.9762 8.6877 121.3147 58.7725 30.7892 176.3552 80 Y 5.0332 7.3127 114.7629 56.2738 42.7786 174.1187 81 Y 5.0758 9.1640 118.5697 56.2868 42.3039 174.6724 82 V 4.9663 9.2774 123.5659 61.0836 34.8204 174.2725 83 G 4.4728 9.2454 115.1837 44.6296 0.0000 173.3144 84 L 4.7915 8.4390 125.1699 53.7252 44.0114 174.1010 85 E 4.8181 9.2741 125.3678 54.2759 32.7800 175.4689 86 A 4.8777 8.8112 126.2305 51.7038 20.6504 176.0699 87 G 4.4706 8.1836 105.6651 46.3388 0.0000 171.7998 88 I 4.7942 7.9342 118.9108 59.5456 41.3370 175.4153 89 E 4.6628 9.1728 125.1271 55.6444 33.4659 174.7802 90 E 3.6926 9.2692 126.9205 57.9358 28.8771 174.9340 91 N 4.9573 9.2485 121.5643 53.2106 37.7724 173.9001 92 K 5.0316 8.1318 117.9495 55.5183 35.5552 175.0445 93 T 4.7754 8.4291 116.6627 60.5929 71.3841 172.3259 94 F 5.0913 7.2379 118.9310 56.5012 42.0075 172.1453 95 A 5.1089 8.7566 119.7115 50.3895 22.5635 176.4050 96 W 4.3083 9.0861 122.1009 55.4644 32.7446 174.7310 *98 I 4.5091 8.0475 119.7176 61.9026 38.3915 175.0371 99 V 5.0277 8.9198 127.0196 61.1476 34.1765 174.0279 100 E 5.6159 9.6063 127.3913 54.9694 33.1118 176.3283 101 S 5.2119 8.9401 117.9254 56.1262 65.6486 174.0025 102 D 4.4568 8.6792 118.3985 56.9611 41.0007 177.3042 103 Q 4.6207 7.5640 115.8727 55.8402 31.0345 175.0988 104 Q 4.6318 8.2757 117.5383 54.3245 32.4290 172.7411 105 R 5.2928 8.5462 121.9482 54.5676 32.6974 174.6411 106 G 4.8917 9.8833 113.4779 43.9583 0.0000 171.8092 107 E 5.2972 8.5228 118.1781 55.3126 32.6151 174.1694 108 S 4.6157 8.7028 114.1316 57.3928 65.5210 173.1561 109 R 3.9579 7.5477 126.3476 54.0902 30.9646 176.0816 110 S 4.3650 8.6101 121.3367 57.7407 64.1074 173.8505 111 A 4.1521 8.4872 123.0078 52.6684 18.4699 177.2083 112 C 4.7411 8.6368 117.0463 57.6473 31.3882 173.2442 113 L 4.7962 8.4671 122.7150 54.3892 45.3605 174.8529 *115 L 4.4188 8.4939 116.2675 53.7839 43.1996 175.5246 116 P 4.4226 0.0000 0.0000 61.7650 32.2381 175.6084 117 P 4.2387 0.0000 0.0000 66.2748 30.6081 178.3117 118 L 3.8925 7.9036 118.4679 57.9734 42.0572 178.8789 119 V 3.7222 7.6363 117.4446 65.9733 31.5453 177.7869 120 L 3.9977 7.8235 118.6507 57.9283 40.7302 179.2394 121 E 3.9828 8.5399 118.8131 59.5976 29.2619 179.2342 122 R 4.2097 7.4988 114.9510 57.5595 30.3318 178.5895 123 L 4.1532 7.5246 119.5015 57.2202 42.0436 178.6599 124 R 3.5665 7.1395 116.9766 56.8415 31.0441 176.4151 *128 E 4.1690 8.2207 115.6409 55.5590 30.1690 176.5786 129 L 3.9560 9.3331 127.5422 58.0609 42.4574 178.4282 130 G 3.9446 8.3142 105.9054 48.8890 0.0000 174.0234 131 D 4.5028 8.3480 119.8289 57.3238 41.0895 179.8784 132 V 4.1165 7.4918 116.6866 63.5026 31.0206 177.3826 *134 D 4.6133 8.2702 119.4606 53.8838 42.5616 177.6218 135 E 3.8851 8.3558 118.6309 58.8121 29.8664 177.8178 136 V 3.7776 8.2651 117.6889 64.3664 31.9437 176.5100 137 F 4.5220 8.2189 115.6483 56.9396 40.3302 176.3397 138 G 3.9721 8.5187 109.8001 46.1894 0.0000 174.2326 139 T 4.0114 8.8484 120.8466 67.0613 68.5258 176.3103 140 E 4.0255 8.1370 120.2733 59.0268 29.7187 178.3593 141 N 4.3523 8.1132 116.3513 56.3006 38.7221 177.1478 142 I 3.6366 7.7061 121.1299 64.2911 36.9547 178.4704 143 K 3.9372 7.8127 119.0263 59.1051 32.1724 178.2033 144 Q 4.4118 7.9910 116.0872 56.1081 29.3019 176.5466 145 K 4.4478 7.8864 118.6336 56.0403 32.6545 177.0622 146 G 3.6996 8.0730 106.4465 45.6791 0.0000 175.6162 147 G 4.0691 7.9145 110.1536 44.3675 0.0000 174.6274 148 A 3.4293 8.2556 118.8940 55.0655 18.1032 179.7828 149 I 3.5959 7.6365 117.8298 64.4961 37.1208 178.5042 150 G 3.8649 7.7525 107.0396 46.7780 0.0000 175.4710 151 L 3.9085 7.8586 121.9124 57.4727 41.4387 179.6694 152 L 4.1254 8.1343 117.7921 56.7407 41.8795 178.4502 153 T 4.3705 7.8408 108.3268 60.1927 69.2883 174.6926 154 R 3.4793 8.4075 118.8698 58.0363 28.2230 176.1543 155 H 4.0773 8.5269 112.3775 57.2136 29.1773 175.0312 156 H 4.3495 8.0864 116.6419 57.7961 28.9493 175.3520 157 L 4.8774 7.9953 118.1260 52.3871 45.5936 175.1088 158 T 4.8320 8.1912 109.8209 58.9006 73.1045 174.9390 159 R 3.5238 8.3121 121.3083 59.6824 29.9359 178.5378 160 S 4.0589 7.9007 114.4524 62.1003 62.7718 176.8990 161 T 3.9788 7.8873 111.9198 64.3319 68.0344 177.0069 162 V 3.6023 7.7768 121.4347 66.1109 31.5669 177.5087 163 Y 4.2901 8.3975 116.9390 61.4050 37.6554 178.0981 164 H 4.1380 8.4119 119.0978 59.4419 29.8885 177.2948 165 Q 3.9047 7.7340 118.9465 59.0399 28.5077 178.7630 166 A 3.9250 7.6827 120.9962 54.9280 18.1227 179.6790 167 L 3.8643 7.8969 117.0224 57.9282 41.9776 179.4472 168 I 3.6355 7.6846 119.6603 64.3962 37.1122 178.4677 169 L 3.9198 8.0128 119.5728 57.7391 41.4336 179.3977 170 A 4.1576 8.2633 120.4528 54.1960 18.4484 178.5877 171 L 4.5793 7.6058 116.3827 55.2240 41.9450 178.5148 172 I 3.5629 7.3538 121.0422 64.1633 36.8375 176.3450 173 P 3.6436 0.0000 0.0000 65.1322 31.0914 178.2446 174 F 4.5511 7.5346 115.1743 60.0097 39.1390 177.4920 175 I 4.1573 7.6189 118.7393 62.9785 38.3835 176.1327 176 N 5.5779 8.2300 115.3718 50.2387 38.8964 173.6357 177 P 4.4699 0.0000 0.0000 65.8993 32.2199 179.1996 178 E 3.9503 8.3356 118.1638 59.1721 29.4981 178.1010 179 H 4.5491 8.1784 113.9981 56.7254 29.5449 175.1797 180 Y 4.5893 7.3676 116.9344 55.0708 36.4762 173.1806 181 P 4.5168 0.0000 0.0000 62.2778 32.6186 178.6389 182 S 4.0876 8.6009 114.0588 60.2486 63.6699 174.0285 183 A 4.1379 7.3921 127.9273 52.7644 19.1219 175.7099 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 9 V 8.05 3.87 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 0.95 0.00 0.00 0.90 0.00 0.00 *11 R 8.05 4.19 0.00 1.81 2.02 0.00 3.30 0.00 0.00 3.31 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.75 0.00 12 K 8.32 4.91 0.00 1.57 1.54 0.00 1.55 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.39 7.81 13 I 8.25 4.49 0.98 0.00 0.00 -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 0.49 -0.27 0.46 0.00 0.00 14 I 7.95 4.58 1.42 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.75 0.93 0.00 0.00 15 I 8.86 4.73 1.90 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.68 0.95 0.00 0.00 16 A 8.88 4.37 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 17 S 7.63 4.66 0.00 3.86 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 18 Q 8.63 4.56 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 19 N 7.99 4.33 0.00 2.77 2.76 0.00 0.00 7.17 8.77 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 20 P 0.00 4.24 0.00 2.19 2.11 0.00 3.66 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 21 A 8.24 4.00 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 22 K 7.97 4.00 0.00 2.01 1.92 0.00 1.74 0.00 0.00 1.87 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.66 1.58 7.81 23 V 7.67 3.60 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 1.14 0.00 0.00 1.01 0.00 0.00 24 N 8.42 4.22 0.00 2.82 2.81 0.00 0.00 6.92 6.95 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 25 A 8.06 4.02 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 V 7.78 3.61 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 1.17 0.00 0.00 1.04 0.00 0.00 27 R 7.79 2.51 0.00 1.02 1.71 0.00 3.00 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.95 0.00 28 S 8.01 4.04 0.00 3.91 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 29 A 8.13 3.92 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 30 F 8.53 3.96 0.00 3.35 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 31 S 8.63 4.39 0.00 3.94 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 32 T 7.81 3.87 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 1.18 0.00 0.00 33 V 7.34 3.71 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 0.44 0.00 0.00 -0.01 0.00 0.00 34 F 8.01 5.26 0.00 3.71 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 35 P 0.00 4.75 0.00 2.24 2.25 0.00 3.53 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.00 0.00 36 D 8.18 4.71 0.00 2.75 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.79 4.51 0.00 1.88 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 6.60 0.00 0.00 0.00 0.00 0.00 1.99 2.19 0.00 38 E 7.54 4.70 0.00 1.68 1.70 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 2.19 2.20 0.00 39 W 8.49 5.10 0.00 2.36 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 0.00 0.00 0.00 40 E 9.01 4.44 0.00 1.83 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 2.26 2.41 0.00 41 F 8.89 4.98 0.00 2.89 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 42 I 9.01 4.51 1.80 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.72 0.88 0.00 0.00 43 G 8.72 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 0.00 0.00 0.00 0.00 44 V 8.94 4.71 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 0.64 0.00 0.00 0.96 0.00 0.00 45 S 8.62 5.04 0.00 3.76 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 46 V 8.21 4.59 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 0.81 0.00 0.00 1.05 0.00 0.00 47 P 0.00 4.49 0.00 2.05 1.99 0.00 3.68 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 48 S 8.63 4.33 0.00 4.01 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 49 E 8.43 3.85 0.00 2.14 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 0.00 2.21 2.31 0.00 50 V 7.42 4.51 2.27 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 0.75 0.00 0.00 0.95 0.00 0.00 51 A 8.50 4.18 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 52 D 8.77 4.39 0.00 2.69 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 53 Q 7.66 4.45 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.95 0.00 0.00 0.00 0.00 0.00 2.21 2.40 0.00 54 P 0.00 5.01 0.00 2.17 2.06 0.00 4.06 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.09 0.00 *56 S 8.43 4.63 0.00 4.14 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 57 D 10.00 4.72 0.00 2.76 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.30 3.87 0.00 2.08 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 2.36 2.34 0.00 59 E 8.41 3.93 0.00 2.11 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 2.34 2.37 0.00 60 T 8.17 4.08 4.92 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 1.56 0.00 0.00 61 K 8.08 3.51 0.00 0.82 1.28 0.00 0.61 0.00 0.00 0.99 0.00 0.00 2.37 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.67 0.21 7.81 62 Q 8.23 3.96 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 63 G 8.46 3.69 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 0.00 0.00 0.00 64 A 7.93 4.03 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 65 L 8.16 3.89 0.00 1.77 1.69 0.77 0.49 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 66 N 8.59 4.30 0.00 2.93 2.86 0.00 0.00 7.10 7.70 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 67 R 8.18 3.94 0.00 1.88 2.02 0.00 3.17 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 1.80 1.87 0.00 68 V 7.76 3.64 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 2.01 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 2.50 0.00 86 A 8.81 4.88 1.24 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 0.00 0.00 87 G 8.18 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.93 4.79 1.81 0.00 0.00 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 1.00 0.55 0.94 0.00 0.00 89 E 9.17 4.66 0.00 2.37 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 2.31 2.40 0.00 90 E 9.27 3.69 0.00 2.18 1.12 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 2.26 2.33 0.00 91 N 9.25 4.96 0.00 2.82 2.89 0.00 0.00 5.74 7.13 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 92 K 8.13 5.03 0.00 2.00 1.90 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.59 7.81 93 T 8.43 4.78 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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111 A 8.49 4.15 1.24 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 0.00 0.00 112 C 8.64 4.74 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 0.00 113 L 8.47 4.80 0.00 1.76 1.59 0.90 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 *115 L 8.49 4.42 0.00 1.62 1.66 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 116 P 0.00 4.42 0.00 2.19 2.00 0.00 3.73 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.23 0.00 117 P 0.00 4.24 0.00 2.25 2.33 0.00 3.73 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.05 0.00 118 L 7.90 3.89 0.00 1.59 1.68 0.88 0.79 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 0.00 119 V 7.64 3.72 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 1.06 0.00 0.00 0.97 0.00 0.00 120 L 7.82 4.00 0.00 1.91 1.71 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0.00 0.00 0.00 2.37 2.46 0.00 141 N 8.11 4.35 0.00 3.09 2.88 0.00 0.00 7.17 6.91 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 0.00 142 I 7.71 3.64 2.01 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.06 0.86 0.00 0.00 143 K 7.81 3.94 0.00 1.78 1.98 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.46 7.81 144 Q 7.99 4.41 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.03 0.00 0.00 0.00 0.00 0.00 2.32 2.48 0.00 145 K 7.89 4.45 0.00 1.99 1.75 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.33 7.81 146 G 8.07 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 0.00 0.00 0.00 147 G 7.91 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 A 8.26 3.43 1.09 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 0.00 0.00 149 I 7.64 3.60 1.79 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 1.50 0.41 0.84 0.00 0.00 150 G 7.75 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 0.00 151 L 7.86 3.91 0.00 1.61 1.41 0.89 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 152 L 8.13 4.13 0.00 1.54 1.71 0.88 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 153 T 7.84 4.37 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 1.23 0.00 0.00 154 R 8.41 3.48 0.00 1.97 2.01 0.00 3.30 0.00 0.00 3.17 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 155 H 8.53 4.08 0.00 3.22 3.31 0.00 5.76 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 H 8.09 4.35 0.00 3.29 3.33 0.00 5.65 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 L 8.00 4.88 0.00 1.61 1.45 0.90 0.55 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 0.00 158 T 8.19 4.83 4.08 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 0.90 0.00 0.00 159 R 8.31 3.52 0.00 1.60 1.68 0.00 2.84 0.00 0.00 2.79 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.83 0.00 160 S 7.90 4.06 0.00 3.81 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 0.00 161 T 7.89 3.98 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 1.16 0.00 0.00 162 V 7.78 3.60 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 1.12 0.00 0.00 0.95 0.00 0.00 163 Y 8.40 4.29 0.00 3.06 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 0.00 164 H 8.41 4.14 0.00 3.44 3.47 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 0.00 165 Q 7.73 3.90 0.00 2.40 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.57 0.00 166 A 7.68 3.92 1.21 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 0.00 0.00 167 L 7.90 3.86 0.00 1.70 1.66 0.99 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 168 I 7.68 3.64 1.86 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.35 0.77 0.00 0.00 169 L 8.01 3.92 0.00 1.78 1.67 0.86 0.82 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 0.00 170 A 8.26 4.16 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 0.00 171 L 7.61 4.58 0.00 1.66 1.54 0.09 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 172 I 7.35 3.56 1.73 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.45 0.54 0.00 0.00 173 P 0.00 3.64 0.00 0.98 1.66 0.00 3.37 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.31 0.00 174 F 7.53 4.55 0.00 3.27 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 0.00 175 I 7.62 4.16 2.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.56 0.92 0.00 0.00 176 N 8.23 5.58 0.00 3.02 2.96 0.00 0.00 6.51 8.16 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 0.00 177 P 0.00 4.47 0.00 2.28 2.41 0.00 3.92 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.10 0.00 178 E 8.34 3.95 0.00 1.93 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 2.39 2.41 0.00 179 H 8.18 4.55 0.00 3.35 3.12 0.00 5.79 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 Y 7.37 4.59 0.00 2.76 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 0.00 181 P 0.00 4.52 0.00 2.22 2.17 0.00 3.64 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.93 0.00 182 S 8.60 4.09 0.00 4.16 4.08 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 0.00 183 A 7.39 4.14 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.