NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7246 8.3544 109.7362 45.5132 0.0000 171.9187 *2 H 4.3707 8.5284 118.4044 55.9699 30.3382 173.1095 3 F 4.4943 8.7391 125.9791 55.7101 39.9571 176.3805 4 S 4.5350 8.2169 121.2793 57.0307 65.5143 174.6859 5 K 3.8374 8.6250 122.6305 59.9818 31.8787 178.1832 6 E 3.9524 8.1615 118.7652 59.4926 29.3928 178.0626 7 H 4.1655 8.0107 117.2819 59.2907 30.3797 177.0177 8 I 3.7473 8.0182 121.7404 64.4668 36.7758 178.0269 9 N 4.3779 8.1150 116.1299 56.2923 38.7898 176.4053 10 A 4.1201 7.6352 121.0064 53.5977 18.8450 178.0096 11 L 4.1001 7.0072 116.5592 54.4528 42.5178 177.6753 12 E 4.1424 8.5161 120.9125 56.3328 31.4451 178.1863 13 T 3.9231 8.7102 121.6514 67.9554 68.5385 177.5988 14 R 3.9293 7.9039 121.4740 61.5909 29.5093 180.6226 15 T 4.0913 7.8369 116.1514 66.6093 68.5449 176.5280 16 R 3.9058 8.4730 120.7520 59.2012 30.0230 178.3465 17 A 3.9287 8.0449 120.5525 55.6233 18.2362 179.2356 18 H 4.1445 8.0357 113.2516 58.9749 29.0852 177.6442 19 F 4.2048 8.4036 122.2881 61.4964 39.2908 177.3270 20 I 3.5133 8.3030 119.7974 64.3756 36.7086 178.2770 21 N 4.3471 7.9691 116.0876 55.9147 38.1574 177.2078 22 S 4.1804 7.6856 116.0158 60.7578 62.6870 176.2565 23 L 3.8969 7.4862 121.3239 57.0443 41.3567 179.0442 24 S 4.1842 7.7970 113.3011 61.0920 63.4525 174.2061 25 G 3.6003 7.5228 107.1879 43.6042 0.0000 172.7691 26 F 4.4572 8.1164 116.8660 57.7506 39.7077 175.1365 27 K 4.9106 9.0808 120.7165 54.3874 36.4816 175.8787 28 S 4.6656 8.6650 116.4040 58.2152 65.1382 172.9699 29 A 5.0228 8.6108 123.5275 50.5870 20.9343 174.9095 30 N 5.5046 8.9087 118.7051 52.2121 43.1121 173.8350 31 L 4.7116 9.1185 122.9658 53.5815 44.1974 175.5616 32 I 4.7931 9.0244 125.3847 59.7899 39.0491 174.7868 33 G 4.5070 9.1272 115.7627 44.4140 0.0000 172.3929 34 T 5.4425 8.8984 114.2342 60.6602 73.0662 172.2442 35 Q 5.1390 8.2965 117.9947 55.1474 31.6707 174.1643 36 D 4.7145 8.7315 120.9902 52.3304 41.0332 177.3527 37 R 4.0019 8.3696 117.0344 58.7288 30.0031 177.7148 38 Q 4.2182 8.2344 114.9992 55.6980 29.0702 176.4043 39 G 3.8997 8.1065 106.8628 44.9562 0.0000 173.3472 40 N 4.6375 8.5540 119.0434 53.3071 39.2431 174.9551 41 T 4.9991 8.5276 114.2945 61.2557 70.9596 173.5117 42 N 5.2812 9.2414 119.0012 52.1198 43.7845 173.3340 43 L 4.9408 8.6688 121.8293 54.1366 45.5451 175.0955 44 S 4.7464 8.7334 120.9478 56.7378 67.4316 172.9523 45 I 4.6012 8.0435 124.2630 60.7901 38.8304 175.3069 46 V 4.7369 9.0897 121.5362 59.5433 36.2218 175.9988 47 S 5.4299 9.0236 114.6075 57.3151 63.4175 174.4157 48 S 4.7076 7.9803 112.9501 58.1763 63.1164 173.9988 49 V 4.0380 7.8055 121.0166 63.3470 31.8217 174.9214 50 I 4.7779 8.6814 127.1390 59.1722 40.9979 174.2316 51 H 4.3633 9.1113 128.9641 56.6142 29.7803 174.4844 52 L 4.6050 8.2298 124.8419 55.3069 44.1202 176.8959 53 G 3.8962 7.1034 105.0926 45.4850 0.0000 173.2337 54 A 4.3483 8.6728 121.6994 52.4151 20.2544 177.1361 55 N 4.7696 7.6902 113.1699 51.3407 39.6234 171.9104 56 P 4.4407 0.0000 0.0000 60.9576 32.6417 175.0314 57 P 4.6190 0.0000 0.0000 63.2348 32.0529 174.8594 58 L 5.6062 8.0704 125.3310 51.8542 46.2484 174.9892 *60 G 4.3496 8.1368 104.8179 47.3423 0.0000 171.2125 *62 I 4.6521 8.1444 119.0727 61.3932 38.3177 175.4588 63 I 4.4073 8.6201 130.5626 60.0065 38.9610 176.3106 64 R 4.0318 8.7625 129.5500 56.5450 29.9857 174.0417 65 P 4.7743 0.0000 0.0000 60.9003 30.2930 173.6591 *69 P 4.2290 0.0000 0.0000 63.7230 32.4361 178.1701 70 R 4.1338 8.3012 120.7203 61.7826 29.2011 179.6947 71 H 4.4753 7.8776 114.7715 58.9111 28.5392 177.7119 72 T 3.8430 7.5953 118.5538 66.5203 68.1289 176.2987 73 F 4.1040 8.1185 120.4253 61.2459 39.5726 176.4487 74 E 3.9324 8.1741 117.1602 59.5029 29.5007 178.7805 75 N 4.5018 8.5469 116.8242 56.2121 38.4709 178.1647 76 I 3.9530 7.5157 120.6199 62.6927 36.6929 178.5565 *78 Q 4.2580 8.0441 120.6374 54.4778 30.1049 179.1731 79 T 4.3195 8.1410 106.3941 60.5884 70.5067 175.5951 80 G 3.9929 8.5933 110.4070 45.6845 0.0000 172.4286 81 L 5.5762 7.5549 118.5010 53.0718 44.9095 175.4408 82 Y 5.2068 8.9797 119.4860 56.5463 41.8762 173.2012 83 T 4.5865 8.9185 110.5080 59.9008 72.0780 172.9965 84 I 4.8243 8.1463 124.0624 59.5863 40.5172 174.2556 85 N 5.3795 8.9024 123.7801 51.3979 41.9815 173.7484 86 H 4.7829 9.1959 122.2914 55.5043 29.5702 175.8490 87 V 4.1065 8.8088 123.5872 62.8467 33.0262 174.3924 88 N 5.8431 8.4893 122.4060 49.6638 40.8107 174.8197 89 Q 4.2147 8.9228 119.3684 59.3098 29.1958 177.6232 90 S 4.3555 8.2958 113.4973 60.3426 63.1192 174.8178 91 I 4.5079 7.9258 112.2089 60.0693 38.0638 176.8851 92 Y 4.0460 7.9946 122.0909 60.2949 37.7631 177.7468 93 E 3.4649 6.9834 119.9007 59.3041 29.3842 179.1787 94 Q 3.9484 7.7662 115.9042 58.6004 29.1589 178.0988 95 A 4.1068 8.1948 122.2004 55.5365 18.4921 179.0302 96 H 4.1175 8.3682 116.9701 59.6309 29.8857 177.1728 97 Q 4.0629 8.1248 121.4289 59.1747 28.5931 178.1996 98 T 4.0669 7.5504 109.9926 64.5117 68.6380 175.7367 99 S 4.3562 7.9038 114.9179 58.6691 63.5873 174.3508 100 A 3.9402 7.3633 128.1569 52.6646 18.6871 177.7483 101 R 4.1494 8.0501 118.5294 55.7842 29.8787 176.9700 102 Y 4.7538 8.3409 122.7106 55.0992 41.1830 175.7834 103 D 4.5803 8.4650 120.9278 54.0556 40.4939 178.1092 104 K 3.9302 9.0364 124.5846 58.8053 31.5116 179.4789 *105 D 4.8380 8.0250 115.3983 52.5444 39.9644 177.0679 106 E 4.4778 7.8168 122.0368 55.3482 30.1291 176.3165 107 S 4.3245 8.3718 121.3857 58.2134 64.0651 174.5348 108 E 3.4897 8.5266 127.9064 58.6357 29.2907 179.2992 109 F 4.2035 7.8339 118.5018 60.5137 38.7950 177.1359 110 E 3.9433 8.1760 116.7858 59.2638 29.6453 178.2713 111 A 4.1259 7.9935 119.5923 53.2573 18.5281 176.4903 112 T 4.6854 7.0662 105.9457 59.4301 71.7466 174.1686 113 G 3.8120 9.2171 109.0666 46.2687 0.0000 174.2099 114 L 4.4877 7.3857 120.1489 54.6046 42.7075 176.2312 115 T 4.8576 8.9937 117.7603 61.0987 71.5065 172.3233 116 P 4.4709 0.0000 0.0000 62.7937 32.7028 175.4101 117 E 4.5569 8.2960 120.6552 55.4490 33.3515 173.1429 118 Y 4.8447 8.6615 124.5560 56.4587 40.0929 175.2341 119 L 4.7158 8.4374 121.9925 54.3333 45.7247 176.4927 120 S 3.9735 9.6654 116.3396 60.0922 60.4983 172.4655 121 D 4.4854 8.4218 113.8182 55.0905 38.4403 173.5553 122 F 4.5706 8.4446 122.0019 57.9299 40.2400 176.1896 123 C 4.5022 7.8422 128.8047 58.2721 27.5256 173.5482 124 A 4.6771 7.2818 120.5464 50.1355 22.1196 174.6016 125 P 3.9299 0.0000 0.0000 62.3530 33.3642 175.7561 126 F 4.5915 9.0852 121.0540 56.5619 41.9127 174.7740 127 V 4.6284 9.2237 121.0034 61.5501 31.9204 176.5135 128 K 4.2968 9.2550 130.2316 59.1024 32.1250 177.6757 129 E 4.1678 8.0649 115.5754 57.7839 29.8006 176.8626 130 S 4.3931 7.7803 114.2326 58.2336 63.1203 173.7587 131 R 4.6382 8.4989 124.2487 56.3726 31.6837 175.5804 132 L 5.0678 7.7357 122.6482 53.8997 45.5095 174.4366 133 K 5.2485 9.3140 124.8024 56.6034 36.4701 174.0880 134 Y 5.6233 8.5458 118.0974 56.0005 41.6925 174.0836 135 S 4.1951 9.1437 116.7758 58.1712 64.8593 173.1856 136 V 4.7617 8.5157 123.5499 61.7936 35.3269 174.3797 137 K 5.1623 8.6345 130.4294 52.8957 34.4748 174.0196 138 L 4.3798 8.9779 128.5588 55.1290 42.0246 176.2260 139 V 4.3114 8.8287 125.6789 64.1747 33.5147 175.3918 140 E 4.9264 7.9019 119.5523 54.9298 33.1967 173.2113 141 H 5.4355 8.9415 123.2219 54.4968 31.6624 173.0598 142 Q 4.7504 9.3702 122.6681 53.9647 31.0641 171.7806 143 H 4.7838 9.0143 124.9344 55.0194 31.1454 174.7056 144 L 4.5164 8.6609 126.5239 52.9890 41.6841 177.2087 145 A 4.0787 8.6414 128.2115 54.5063 18.8009 178.5302 146 I 3.8464 7.8153 109.1584 64.0799 37.3217 177.0970 147 N 4.7907 7.7813 114.1677 52.7518 38.1282 174.5609 148 G 3.7932 8.4060 105.9864 46.9066 0.0000 174.1261 149 T 4.5760 7.3982 110.5135 60.5144 71.3296 173.1646 150 E 4.9966 8.3820 120.9977 54.4933 33.0145 175.1876 151 F 5.1870 9.6002 127.3693 56.8426 41.2020 174.1616 152 V 4.4952 8.2922 127.1473 61.5797 33.2280 174.3209 153 I 4.6673 8.6679 128.9516 59.4563 39.8173 175.0038 154 G 4.7363 8.8417 112.6527 43.2822 0.0000 170.5461 155 E 5.0046 9.0721 119.5896 54.6678 31.5889 175.6216 156 I 3.7763 8.5136 125.7566 62.2301 37.3044 174.4433 157 V 3.9168 9.1327 127.1232 62.3490 31.6264 174.8354 158 D 4.9039 7.8341 118.2302 52.4289 44.1933 175.6889 159 V 4.8366 7.8843 121.3006 61.2647 34.4890 174.1611 160 Y 4.8174 9.1494 124.4903 56.1217 41.2493 174.9130 161 V 5.0253 8.3268 122.1863 59.9084 34.3632 174.2280 162 D 4.5437 8.8731 122.7254 54.7436 41.9205 176.3464 163 D 4.2971 8.5738 121.2536 55.9613 41.3434 176.9932 164 N 4.4193 8.8688 117.7061 53.6010 36.5925 175.3995 165 A 4.0250 7.6450 121.6693 54.3241 18.8024 177.6746 166 V 4.0999 7.5081 115.8321 61.8577 31.8979 175.7980 167 Q 4.4077 8.9193 127.6028 55.2145 29.4773 177.4450 168 T 3.8946 8.3672 109.3784 64.3963 68.8528 174.8657 169 D 4.5750 8.1063 119.6551 53.2454 39.8067 177.0017 170 G 3.9777 8.2045 109.6342 45.3651 0.0000 174.2200 171 F 4.2057 8.3871 122.6081 58.0883 39.9565 173.7739 172 I 4.5362 6.6439 126.5525 58.0680 38.7998 175.3117 173 D 4.4572 8.3064 125.1196 53.6278 41.7762 176.6543 174 L 4.0485 8.3708 128.3749 57.6276 41.7797 179.1714 175 Q 3.9781 8.5363 119.7534 59.0125 28.7638 177.9881 176 A 4.1146 8.2488 120.8688 54.2893 18.4911 177.8259 177 I 4.1393 7.1379 107.9731 60.3059 38.1462 175.0320 178 D 4.4403 8.0452 119.0130 55.8135 39.8771 173.4823 179 T 4.5126 7.8550 113.2101 63.5875 69.0322 174.4864 180 V 4.6970 8.4254 117.8566 59.7985 34.2411 175.0988 181 A 5.0054 8.9936 124.8836 50.4746 22.3076 175.5224 182 I 5.0957 8.9028 119.8551 59.5702 40.9390 175.2253 183 S 4.7200 8.9624 119.2389 57.0402 66.4291 174.8263 184 G 3.7869 8.5523 108.2748 47.0446 0.0000 174.6168 185 L 4.4416 8.5572 119.8447 55.7792 42.5627 177.6873 186 D 4.6964 7.8233 114.4170 53.8978 40.9364 173.7024 187 C 4.7218 8.0045 120.9300 58.2065 33.6125 172.0618 188 Y 5.1613 8.4403 122.9987 56.6001 40.2072 174.5658 189 Y 4.9503 9.0522 119.4304 56.7365 42.9437 174.6494 190 T 4.6758 8.6266 111.9353 60.5450 71.2379 173.9216 191 G 3.8850 8.4008 110.6406 43.8107 0.0000 172.9477 192 D 4.8421 8.1911 121.6096 51.5256 42.5743 175.5278 193 K 4.0748 9.1900 129.3044 56.6420 32.5920 176.0225 194 L 4.2906 8.0789 125.7587 54.7241 42.7288 176.2636 195 A 4.3049 7.1329 118.0493 51.8471 21.6301 175.4034 196 R 4.3896 8.3858 118.8713 54.6896 31.5535 176.3150 197 L 4.7089 8.0370 121.9593 52.0189 44.1297 174.6804 198 P 4.3786 0.0000 0.0000 61.7928 32.2134 174.9761 *199 Y 3.8120 8.3941 119.4254 57.6743 38.2436 176.0812 200 A 4.1650 8.6480 129.0763 52.6689 18.3966 176.7623 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 3.72 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 0.00 0.00 0.00 *2 H 8.53 4.37 0.00 3.07 3.19 0.00 5.72 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 3 F 8.74 4.49 0.00 3.09 2.78 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 4 S 8.22 4.54 0.00 4.07 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.63 3.84 0.00 1.88 1.90 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.54 1.55 7.81 6 E 8.16 3.95 0.00 2.08 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 2.37 2.37 0.00 7 H 8.01 4.17 0.00 3.21 3.49 0.00 5.83 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 I 8.02 3.75 2.04 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 1.36 1.15 1.00 0.00 0.00 9 N 8.12 4.38 0.00 2.83 2.99 0.00 0.00 7.26 7.37 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 10 A 7.64 4.12 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 11 L 7.01 4.10 0.00 1.73 1.56 0.54 0.61 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 12 E 8.52 4.14 0.00 2.00 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 2.39 2.39 0.00 13 T 8.71 3.92 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 14 R 7.90 3.93 0.00 1.82 1.94 0.00 3.25 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.29 0.00 15 T 7.84 4.09 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 1.16 0.00 0.00 16 R 8.47 3.91 0.00 1.82 1.93 0.00 3.12 0.00 0.00 3.39 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 17 A 8.04 3.93 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 H 8.04 4.14 0.00 3.31 3.36 0.00 5.67 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 19 F 8.40 4.20 0.00 3.04 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 20 I 8.30 3.51 1.86 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 1.87 0.77 0.86 0.00 0.00 21 N 7.97 4.35 0.00 2.82 2.90 0.00 0.00 7.10 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 S 7.69 4.18 0.00 3.81 3.74 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 23 L 7.49 3.90 0.00 1.53 1.55 0.65 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 24 S 7.80 4.18 0.00 3.97 3.93 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 25 G 7.52 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 26 F 8.12 4.46 0.00 2.88 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 27 K 9.08 4.91 0.00 1.67 1.85 0.00 1.63 0.00 0.00 1.68 0.00 0.00 2.83 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.32 1.47 7.81 28 S 8.67 4.67 0.00 3.91 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 29 A 8.61 5.02 1.45 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 0.00 0.00 30 N 8.91 5.50 0.00 2.69 2.70 0.00 0.00 6.62 6.65 0.00 0.00 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 L 9.12 4.71 0.00 1.54 1.52 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 32 I 9.02 4.79 1.87 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.51 0.93 0.00 0.00 33 G 9.13 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.90 5.44 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 1.28 0.00 0.00 35 Q 8.30 5.14 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.02 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 36 D 8.73 4.71 0.00 2.92 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 37 R 8.37 4.00 0.00 1.80 2.01 0.00 3.17 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 38 Q 8.23 4.22 0.00 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0.00 2.08 1.96 0.00 3.64 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.55 0.00 *69 P 0.00 4.23 0.00 1.88 2.21 0.00 3.69 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 2.02 2.07 0.00 70 R 8.30 4.13 0.00 1.84 1.98 0.00 3.25 0.00 0.00 3.39 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.26 0.00 71 H 7.88 4.48 0.00 3.46 3.63 0.00 5.45 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 72 T 7.60 3.84 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 1.20 0.00 0.00 73 F 8.12 4.10 0.00 2.92 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 74 E 8.17 3.93 0.00 2.14 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 2.39 2.60 0.00 75 N 8.55 4.50 0.00 2.80 2.99 0.00 0.00 7.08 7.04 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 76 I 7.52 3.95 1.72 0.00 0.00 0.11 0.00 0.00 0.00 0.00 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0.00 1.96 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.04 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 95 A 8.19 4.11 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 96 H 8.37 4.12 0.00 3.15 3.43 0.00 5.79 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 Q 8.12 4.06 0.00 2.34 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.54 0.00 0.00 0.00 0.00 0.00 2.43 2.60 0.00 98 T 7.55 4.07 4.39 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 1.13 0.00 0.00 99 S 7.90 4.36 0.00 4.07 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 0.00 100 A 7.36 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 R 8.05 4.15 0.00 1.84 1.74 0.00 3.22 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.21 0.00 102 Y 8.34 4.75 0.00 2.99 2.90 0.00 0.00 0.00 0.00 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0.00 0.00 119 L 8.44 4.72 0.00 1.26 1.03 -0.87 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 120 S 9.67 3.97 0.00 4.21 4.06 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 0.00 121 D 8.42 4.49 0.00 2.92 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 0.00 122 F 8.44 4.57 0.00 3.12 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 0.00 123 C 7.84 4.50 0.00 2.77 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 0.00 124 A 7.28 4.68 1.16 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 0.00 0.00 125 P 0.00 3.93 0.00 1.56 1.48 0.00 3.76 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 2.22 1.99 0.00 126 F 9.09 4.59 0.00 2.95 2.89 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 0.00 127 V 9.22 4.63 2.18 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 1.05 0.00 0.00 0.99 0.00 0.00 128 K 9.25 4.30 0.00 1.76 1.85 0.00 1.70 0.00 0.00 1.56 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.36 7.81 129 E 8.06 4.17 0.00 2.01 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 2.37 0.00 130 S 7.78 4.39 0.00 3.94 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 0.00 131 R 8.50 4.64 0.00 1.82 2.03 0.00 3.20 0.00 0.00 3.29 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.63 0.00 132 L 7.74 5.07 0.00 1.75 1.29 0.97 0.29 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 0.00 133 K 9.31 5.25 0.00 2.27 1.96 0.00 1.70 0.00 0.00 1.88 0.00 0.00 2.68 0.00 0.00 2.46 0.00 0.00 0.00 0.00 1.56 1.37 7.81 134 Y 8.55 5.62 0.00 3.08 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 0.00 135 S 9.14 4.20 0.00 2.72 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 0.00 136 V 8.52 4.76 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 0.00 0.00 0.52 0.00 0.00 0.90 0.00 0.00 137 K 8.63 5.16 0.00 1.45 1.64 0.00 1.87 0.00 0.00 1.57 0.00 0.00 2.73 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.27 1.22 7.81 138 L 8.98 4.38 0.00 1.79 1.71 1.07 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 139 V 8.83 4.31 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 0.80 0.00 0.00 1.01 0.00 0.00 140 E 7.90 4.93 0.00 2.04 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 2.28 2.31 0.00 141 H 8.94 5.44 0.00 3.27 3.30 0.00 5.72 0.00 0.00 0.00 0.00 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 Q 9.37 4.75 0.00 1.68 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.05 0.00 0.00 0.00 0.00 0.00 2.18 2.13 0.00 143 H 9.01 4.78 0.00 3.19 3.29 0.00 5.87 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 L 8.66 4.52 0.00 1.53 1.55 0.82 0.80 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 0.00 145 A 8.64 4.08 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 0.00 146 I 7.82 3.85 1.85 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 0.59 0.89 0.00 0.00 147 N 7.78 4.79 0.00 2.76 2.82 0.00 0.00 6.03 7.00 0.00 0.00 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 G 8.41 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 T 7.40 4.58 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 1.20 0.00 0.00 150 E 8.38 5.00 0.00 1.49 1.81 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 1.87 1.47 0.00 151 F 9.60 5.19 0.00 2.90 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 0.00 152 V 8.29 4.50 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 0.88 0.00 0.00 1.09 0.00 0.00 153 I 8.67 4.67 1.86 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.06 0.83 0.00 0.00 154 G 8.84 4.74 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 0.00 0.00 0.00 155 E 9.07 5.00 0.00 1.99 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 2.39 2.27 0.00 156 I 8.51 3.78 1.77 0.00 0.00 0.52 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 0.50 0.78 0.00 0.00 157 V 9.13 3.92 1.91 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 0.76 0.00 0.00 0.93 0.00 0.00 158 D 7.83 4.90 0.00 2.63 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 0.00 0.00 0.00 159 V 7.88 4.84 1.91 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 0.77 0.00 0.00 0.78 0.00 0.00 160 Y 9.15 4.82 0.00 2.68 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 0.00 161 V 8.33 5.03 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 0.64 0.00 0.00 0.94 0.00 0.00 162 D 8.87 4.54 0.00 2.70 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.57 4.30 0.00 2.66 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 0.00 164 N 8.87 4.42 0.00 2.89 3.00 0.00 0.00 6.95 7.35 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 0.00 165 A 7.64 4.03 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 0.00 166 V 7.51 4.10 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 0.80 0.00 0.00 0.87 0.00 0.00 167 Q 8.92 4.41 0.00 2.45 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.57 0.00 0.00 0.00 0.00 0.00 2.44 2.53 0.00 168 T 8.37 3.89 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 1.22 0.00 0.00 169 D 8.11 4.58 0.00 2.82 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 G 8.20 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 F 8.39 4.21 0.00 3.15 3.09 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 0.00 172 I 6.64 4.54 1.56 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 1.13 1.12 0.76 0.00 0.00 173 D 8.31 4.46 0.00 2.88 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 0.00 174 L 8.37 4.05 0.00 1.72 1.70 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 175 Q 8.54 3.98 0.00 2.19 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 176 A 8.25 4.11 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 0.00 177 I 7.14 4.14 1.88 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 1.35 0.80 0.89 0.00 0.00 178 D 8.05 4.44 0.00 3.00 2.78 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 0.00 179 T 7.86 4.51 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 180 V 8.43 4.70 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 0.65 0.00 0.00 1.12 0.00 0.00 181 A 8.99 5.01 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 0.00 182 I 8.90 5.10 1.83 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 0.53 0.67 0.80 0.00 0.00 183 S 8.96 4.72 0.00 3.65 3.74 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 0.00 184 G 8.55 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 L 8.56 4.44 0.00 1.70 1.75 0.77 0.94 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 0.00 186 D 7.82 4.70 0.00 2.82 2.78 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 0.00 187 C 8.00 4.72 0.00 2.99 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 0.00 188 Y 8.44 5.16 0.00 2.48 2.49 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 0.00 189 Y 9.05 4.95 0.00 2.77 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 0.00 190 T 8.63 4.68 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 191 G 8.40 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 0.00 0.00 0.00 192 D 8.19 4.84 0.00 2.57 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 193 K 9.19 4.07 0.00 1.81 1.77 0.00 1.91 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.43 7.81 194 L 8.08 4.29 0.00 1.65 1.65 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 195 A 7.13 4.30 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 R 8.39 4.39 0.00 1.60 1.63 0.00 2.21 0.00 0.00 2.71 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.29 0.00 197 L 8.04 4.71 0.00 1.57 1.52 0.90 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 198 P 0.00 4.38 0.00 2.15 2.03 0.00 3.76 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.92 0.00 *199 Y 8.39 3.81 0.00 2.54 2.29 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 0.00 200 A 8.65 4.17 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 * Residues marked with a * may have inaccurate shift predictions.