NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 4.0501 8.2548 109.1381 45.2039 0.0000 176.9209 *2 K 4.4963 8.7098 128.7239 56.1702 33.6597 173.1479 3 I 4.9927 9.1729 126.7569 59.4691 39.7624 174.5870 4 A 5.4838 9.2305 129.5299 50.2513 21.7137 174.9068 5 L 5.2316 9.1635 124.1160 53.4742 44.8357 175.4030 6 I 5.1450 8.7504 126.0738 59.9105 41.2844 174.0941 7 I 4.8783 8.8158 128.3977 59.3998 40.3264 175.7370 8 E 4.4679 8.6650 124.5679 54.5332 31.9315 176.6488 9 N 4.3588 9.0420 116.5830 55.9716 37.2037 177.6170 10 S 4.2184 8.6912 112.8403 60.2691 63.2949 174.8663 11 Q 4.5463 8.1098 118.0101 55.3330 29.5263 176.9365 12 A 3.8903 7.9362 124.0523 55.3071 18.4039 180.5460 13 A 4.1129 7.9429 116.9684 54.4272 18.7656 178.0327 14 K 4.3351 8.0947 114.7713 56.4215 32.8234 178.0406 15 N 4.1726 8.1204 118.9043 56.5908 38.7330 176.5456 16 A 4.0559 7.9315 121.7631 55.1557 18.6689 179.6621 17 V 3.6087 7.7131 116.3573 66.0862 31.7307 178.3554 18 V 3.7299 7.9662 118.1569 66.2093 31.3879 177.4991 19 H 4.2669 8.6400 118.4879 59.2529 29.6085 176.9008 20 E 3.9081 8.4724 120.9926 59.1978 29.3462 178.6348 21 A 4.1112 8.0501 120.4550 55.0094 18.3570 179.4772 22 L 3.7850 8.0518 119.1656 58.5124 42.3028 179.3247 23 T 3.8316 8.4377 110.1495 64.9707 68.4409 176.5954 24 T 3.8621 8.0740 118.3066 66.2357 67.1867 176.1612 25 V 3.9506 7.6951 119.5382 65.5920 31.9140 177.9981 26 A 4.3648 8.2859 120.7515 54.8474 18.1343 179.4676 27 E 4.1421 7.9863 118.4023 58.7105 29.4466 177.8329 28 P 3.9161 0.0000 0.0000 64.6883 31.5084 176.9592 29 L 4.2579 7.1864 115.3028 54.4929 41.7166 177.3575 30 G 3.8054 9.0268 108.8167 45.8018 0.0000 172.9449 31 H 4.9038 7.8071 116.6216 54.2642 31.4518 174.0703 32 K 4.5322 8.4739 118.8832 54.6417 34.8993 175.2061 33 V 4.7808 8.0926 124.3293 61.1598 33.5414 174.6429 34 F 4.5910 9.6716 126.9414 55.8018 41.3567 174.2660 35 N 4.9863 8.7300 124.1404 52.6734 38.9084 173.9986 36 Y 4.2487 9.0950 124.0801 57.7336 38.7873 177.1571 37 G 2.8569 8.1580 106.3172 45.2078 0.0000 174.1762 *39 Y 4.9479 8.1443 115.4340 57.8298 40.0404 175.7733 40 T 4.6977 7.9671 107.3709 59.7567 71.8980 174.5757 41 A 4.0698 8.5963 125.0121 54.8394 18.4488 178.3527 42 E 4.3991 7.9282 113.5500 56.2811 30.0204 176.4906 43 D 4.4978 7.7160 119.5737 54.4996 41.4794 176.8267 44 K 3.8894 8.8302 124.2755 59.0506 32.4174 176.6309 45 A 4.3339 7.8195 122.7714 51.1270 17.8904 175.7826 46 S 4.7543 8.2696 116.1200 57.9094 64.2101 173.1564 47 L 4.9176 8.3879 125.0153 53.1946 44.6300 175.8506 48 T 4.8432 8.2274 112.7424 59.8929 70.8060 174.3500 49 Y 4.2750 8.5261 119.6108 60.0266 38.2855 178.7204 50 V 3.7939 6.6290 117.5946 63.2875 31.0785 177.2241 *52 N 4.6735 8.3458 117.9740 52.7760 40.6781 177.2140 53 G 3.5418 7.8888 104.8302 47.5127 0.0000 175.5536 54 L 3.8446 7.7832 123.0412 57.8527 42.0959 178.6715 55 L 3.8195 7.9109 119.4836 58.1849 41.8118 178.6330 56 A 3.9855 8.0850 120.7574 55.0475 18.2883 179.8403 57 G 3.4899 8.0500 104.2746 47.8401 0.0000 176.0190 58 I 3.7257 7.7111 122.1183 64.1637 37.2742 178.5669 59 L 4.0918 8.0316 119.8933 57.8258 40.9245 179.7045 60 L 4.1572 8.1500 119.1561 58.0283 41.4220 179.3737 61 N 4.4892 8.1676 115.3274 55.8075 38.6938 177.1535 62 S 4.4298 8.3512 115.3805 59.0154 63.2402 175.9683 63 G 3.9099 7.5416 108.8568 45.2777 0.0000 174.3127 64 A 3.9066 7.9675 122.2297 53.4558 18.5529 178.0800 65 A 4.7823 7.6181 116.6941 50.7542 22.1937 175.3980 66 D 4.8770 9.2083 119.9438 55.2435 42.4953 176.8791 67 F 5.0946 7.9785 119.6021 56.8286 43.1883 172.8630 68 V 4.9555 8.4633 125.3737 61.0861 34.6549 174.1279 69 V 4.8700 9.3270 127.9151 61.9391 33.5232 174.0706 70 T 5.3446 9.1217 123.5752 61.6264 71.0959 172.2699 71 G 4.1294 8.8359 107.5217 45.3168 0.0000 171.8090 *73 G 4.0078 8.0928 107.0056 45.0170 0.0000 174.7015 74 T 4.1511 8.0179 107.2369 60.4725 71.6717 174.0219 75 G 3.4877 7.7773 109.8141 45.8890 0.0000 174.3253 *77 G 3.0595 7.8401 109.4246 45.4987 0.0000 176.1380 78 S 4.5806 7.0163 114.0211 58.3734 62.1471 176.6397 *80 L 4.1871 8.1827 121.3999 54.9091 43.6661 179.3557 81 A 4.1135 8.2938 119.9883 54.9697 18.0138 179.5129 82 A 3.8974 8.0707 118.5383 55.4542 18.6820 179.3139 83 N 4.4108 7.4056 111.9035 54.4770 38.8169 176.3795 84 A 4.1814 7.4192 122.9393 50.7834 19.8603 175.4276 *86 P 3.8830 0.0000 0.0000 64.9287 32.5072 177.1415 87 G 3.9353 8.5928 106.8151 45.9762 0.0000 173.1689 88 V 4.2669 6.7319 117.8600 60.7666 33.3875 175.2827 89 F 4.8176 9.3348 125.8196 55.7586 41.0731 172.3174 90 C 4.9622 9.1935 123.9121 57.3837 32.6725 173.5244 91 G 3.3028 8.5898 114.1414 45.6612 0.0000 172.0888 92 L 4.9264 8.2238 124.0222 53.2889 43.2204 175.4177 93 V 4.2494 8.0526 126.6612 61.5615 32.8670 174.5524 94 I 4.1996 8.7974 127.5979 62.5406 38.9181 175.5308 95 D 5.0007 8.0089 118.0243 50.3388 43.6032 174.6600 96 P 4.3295 0.0000 0.0000 65.6686 31.2045 179.1326 97 T 3.9745 7.9563 114.5445 66.4342 68.3503 176.3578 98 D 4.3961 8.8142 121.2824 57.1570 40.8023 178.7726 99 A 4.0101 7.9102 121.1666 55.0388 18.4664 179.1872 100 F 4.0582 8.4820 119.5334 61.7146 39.4558 177.4165 101 L 3.7326 8.1643 118.3608 57.4512 41.3033 179.1097 102 F 4.6330 8.0202 122.4247 60.8588 39.3034 177.4791 103 G 3.4701 8.2398 105.0797 47.6447 0.0000 175.3561 104 Q 3.9637 7.6169 119.7391 57.6836 28.8235 178.2053 105 I 3.8222 7.8782 120.1050 63.6484 37.8092 177.1938 106 N 4.3935 7.7958 115.7253 52.4966 39.9881 174.5500 107 D 4.1186 7.7414 119.0363 54.8711 40.0939 172.4973 108 G 3.9547 6.4039 107.4744 45.2691 0.0000 172.4744 109 N 4.9842 8.5400 113.0125 51.9311 38.7466 173.7853 110 A 4.4457 7.3322 118.7070 51.4602 22.6024 175.8598 111 I 4.9184 8.7018 113.0263 59.2163 41.7257 174.2027 112 S 5.5032 9.3998 118.4827 54.8051 66.2262 170.5495 *114 P 4.2024 0.0000 0.0000 62.8411 31.6881 175.9408 115 Y 4.3301 8.4708 118.9191 58.1258 38.9920 175.3834 116 S 4.5316 8.0566 112.9750 59.6571 65.7054 173.7180 117 K 4.0939 8.1538 121.0511 58.0039 32.1005 177.4957 118 G 3.9159 8.9637 114.0996 45.6369 0.0000 173.6339 119 F 4.3677 8.0726 122.5698 56.6825 38.9512 175.5660 120 G 4.0743 7.5436 123.0940 43.2797 0.0000 170.7161 121 W 4.5347 8.9521 124.0118 58.5382 29.4529 175.7565 122 A 3.7113 9.0428 123.3471 52.8720 16.0984 178.7994 123 A 3.7021 7.7722 121.3974 55.4950 17.8771 180.1969 124 E 4.1192 7.9103 115.4263 59.1037 29.8463 179.0901 125 L 4.0098 7.9983 120.7196 57.4854 41.7408 178.6678 126 N 4.2283 7.9819 116.6652 56.3905 38.8607 176.6287 127 L 3.6536 7.8575 120.4429 57.8540 41.6613 179.4526 128 Q 4.0399 7.6149 117.6836 59.2368 28.6757 178.6700 129 D 4.3412 8.1818 119.8679 57.4708 40.8242 179.2861 130 V 3.5497 7.6683 118.5558 66.1773 31.5199 177.7614 131 Y 4.2242 7.7962 116.6870 61.1899 36.9623 178.6369 132 R 4.0445 8.4711 119.3564 59.3692 29.9256 179.2334 133 K 4.3591 7.6930 116.9620 58.9675 32.1248 178.9057 134 L 4.1261 7.4599 118.5048 56.0705 41.7850 177.5983 135 F 5.0118 7.8494 114.2801 56.9452 39.6085 174.6054 136 D 4.7484 7.9242 121.2961 53.4679 43.2977 175.6398 137 G 4.0087 8.9768 111.6087 44.6650 0.0000 172.3361 138 E 4.1934 8.3086 118.0344 56.0366 30.0796 177.1635 139 R 4.3850 8.3487 121.4069 55.1261 32.3204 175.8625 140 G 3.9121 8.3910 104.6500 46.8216 0.0000 174.9514 141 L 4.1049 8.1538 119.1420 54.3576 42.0989 177.0098 142 G 4.1599 9.0510 107.7716 45.8422 0.0000 172.8224 143 Y 4.5889 8.0231 120.7561 55.3941 41.8833 172.9544 144 P 3.3141 0.0000 0.0000 61.9855 32.2781 177.6115 145 R 3.8612 8.2197 120.1946 59.2317 30.1347 178.7320 146 E 4.0278 8.0108 114.0477 58.1337 29.7001 177.4142 147 R 4.3943 8.0160 118.4012 55.8216 30.7198 177.6990 148 A 3.9743 8.0100 122.9166 55.4612 18.7921 179.5077 149 E 4.0763 8.2416 114.8816 59.7650 29.8170 179.5200 150 I 3.4851 7.2218 115.7606 62.7603 37.1900 177.4905 *152 R 4.1608 8.0047 122.8573 56.3418 31.9111 177.7922 153 K 3.9998 8.1225 117.2495 59.4982 31.9083 179.1745 154 N 4.3694 8.4265 117.0067 56.2547 38.3731 177.7078 155 R 3.8771 7.9335 119.3257 59.0551 30.1782 179.0954 156 G 3.5617 7.7908 105.7095 47.8837 0.0000 175.8831 157 I 3.8111 7.6106 121.9643 63.7660 37.0605 178.2853 158 L 3.9761 8.1018 121.5225 58.2405 41.9222 179.2428 159 R 4.0827 8.0316 118.0463 59.3777 29.7419 178.9476 160 E 3.9954 7.9901 117.5410 59.0808 29.8418 178.8121 161 L 4.1057 8.0774 120.4471 58.2378 42.1727 179.1256 162 K 4.4897 8.2925 120.8002 58.9994 31.8774 178.5013 163 D 4.3815 8.1471 118.4935 56.9431 40.7237 178.0287 164 A 4.2234 7.7012 120.6991 54.4361 19.0113 179.1596 165 S 4.3023 7.9320 112.1126 59.3089 63.8348 173.8027 166 C 4.9048 7.7105 119.3578 57.5681 29.8886 173.9735 167 R 4.3305 8.2372 122.4946 55.5023 31.6535 179.1715 168 D 4.7348 8.0560 120.4734 52.8347 38.8920 178.5630 *170 L 4.1559 8.5883 115.4465 55.1604 43.6034 178.8582 171 T 3.7889 8.0902 115.2673 66.4344 68.1603 176.8147 172 V 3.5915 7.7673 120.1889 66.0262 31.3502 178.0527 173 L 3.9357 7.7404 116.9832 57.5923 41.5652 178.9090 174 K 4.1048 7.6787 117.7860 56.7806 32.2858 177.4913 175 T 4.4537 7.0712 106.3071 61.2255 70.4680 174.8800 176 V 3.8045 7.6626 121.8711 60.6226 32.4325 175.8345 177 D 4.3258 8.5209 119.2314 55.1680 41.8556 177.1127 178 Q 4.0883 8.7026 125.9254 58.9461 28.9415 178.1548 179 D 4.3366 8.1556 119.5673 56.8268 40.9232 178.3151 180 L 3.9227 8.6233 121.7729 57.7750 41.7911 178.7005 181 L 3.8737 7.8043 120.1934 58.2550 41.8519 179.1811 182 R 3.8034 7.9140 116.6798 59.1189 30.3182 178.6405 183 A 4.0498 8.0138 120.4759 55.0271 18.1640 179.5656 184 A 3.9949 7.8185 118.5365 54.0432 18.1962 178.3227 185 I 3.6041 6.9281 108.8076 60.3864 37.6279 176.9687 186 A 3.9203 7.5569 123.0159 53.3854 18.6539 178.9987 187 G 3.9556 7.5006 105.8214 45.5275 0.0000 174.1803 188 E 3.9110 9.1172 123.3971 58.6983 29.8574 177.9920 189 K 4.5723 8.0895 114.9138 56.0685 33.0511 177.2248 190 F 4.1579 8.6812 123.2727 61.7001 39.1189 177.0773 191 A 4.3405 8.3821 119.5098 55.4473 18.0726 179.0176 192 E 3.9575 8.2423 116.0665 59.2116 29.7992 178.3093 193 L 4.3025 7.4724 117.4875 57.0745 42.1665 178.5052 194 F 4.0751 8.1777 121.0889 61.1750 39.4796 177.1419 195 Y 3.8316 7.9051 116.1685 60.4379 37.5815 176.6980 196 P 4.4561 0.0000 0.0000 64.1850 31.3992 176.4396 197 N 4.7086 7.8740 114.3330 52.9343 40.4755 174.2651 198 C 3.9925 6.9399 118.4927 59.2840 31.7480 173.2421 199 K 4.2257 8.6913 125.6625 56.3917 32.9905 176.3388 200 D 4.7521 7.6472 118.8775 52.5743 42.1314 175.8097 201 D 4.4579 8.5962 128.2167 57.1325 41.0546 178.5107 202 A 4.1110 8.1263 121.0841 55.1631 18.4763 179.6331 203 I 3.8109 8.2420 118.1477 64.4738 37.2131 178.5053 204 A 4.5292 8.1615 121.5445 55.6349 18.0894 179.5373 205 N 4.4046 8.6861 114.1715 56.3456 38.5397 176.8612 206 Y 4.2012 8.1056 120.7730 60.7978 39.0217 178.1193 207 L 4.0450 8.2867 119.9034 57.7967 41.4724 179.7281 208 R 4.0550 8.2190 117.7552 58.9508 30.0598 178.6417 209 S 4.2564 7.5089 111.9454 59.9739 63.2740 174.7675 210 L 4.1168 7.2894 127.3937 55.0384 41.5445 176.3374 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 8.25 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 0.00 0.00 0.00 *2 K 8.71 4.50 0.00 1.84 1.78 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.67 1.55 7.81 3 I 9.17 4.99 1.71 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.54 0.83 0.00 0.00 4 A 9.23 5.48 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 5 L 9.16 5.23 0.00 1.83 1.59 1.06 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.75 5.15 1.90 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 1.23 1.18 0.97 0.00 0.00 7 I 8.82 4.88 1.78 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.75 0.87 0.00 0.00 8 E 8.66 4.47 0.00 2.42 2.34 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 2.45 2.58 0.00 9 N 9.04 4.36 0.00 2.95 3.13 0.00 0.00 7.18 6.79 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 10 S 8.69 4.22 0.00 4.01 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 11 Q 8.11 4.55 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.78 0.00 0.00 0.00 0.00 0.00 2.52 2.55 0.00 12 A 7.94 3.89 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 A 7.94 4.11 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.09 4.34 0.00 1.70 1.57 0.00 1.28 0.00 0.00 1.10 0.00 0.00 2.83 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.25 7.81 15 N 8.12 4.17 0.00 2.69 3.02 0.00 0.00 7.03 8.12 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 16 A 7.93 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 17 V 7.71 3.61 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 1.21 0.00 0.00 1.01 0.00 0.00 18 V 7.97 3.73 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 0.97 0.00 0.00 0.53 0.00 0.00 19 H 8.64 4.27 0.00 3.36 3.47 0.00 5.66 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 20 E 8.47 3.91 0.00 2.19 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 2.33 0.00 21 A 8.05 4.11 1.62 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 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.05 3.78 0.00 1.87 1.91 0.26 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 23 T 8.44 3.83 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 24 T 8.07 3.86 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 1.31 0.00 0.00 25 V 7.70 3.95 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 1.24 0.00 0.00 1.20 0.00 0.00 26 A 8.29 4.36 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 7.99 4.14 0.00 2.17 1.97 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 2.41 2.15 0.00 28 P 0.00 3.92 0.00 2.05 2.12 0.00 3.78 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.11 0.00 29 L 7.19 4.26 0.00 1.77 1.62 1.17 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 30 G 9.03 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 0.00 0.00 0.00 31 H 7.81 4.90 0.00 3.11 3.05 0.00 5.57 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.47 4.53 0.00 1.81 1.44 0.00 1.46 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.39 1.27 7.81 33 V 8.09 4.78 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 0.86 0.00 0.00 0.82 0.00 0.00 34 F 9.67 4.59 0.00 3.17 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 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0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.45 7.81 45 A 7.82 4.33 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 46 S 8.27 4.75 0.00 3.89 3.75 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 47 L 8.39 4.92 0.00 1.59 1.49 0.95 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 48 T 8.23 4.84 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 1.13 0.00 0.00 49 Y 8.53 4.27 0.00 3.15 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 V 6.63 3.79 1.82 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 0.83 0.00 0.00 0.31 0.00 0.00 *52 N 8.35 4.67 0.00 3.13 2.92 0.00 0.00 6.91 7.58 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 53 G 7.89 3.54 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 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0.00 0.00 0.00 0.00 0.00 117 K 8.15 4.09 0.00 1.71 1.73 0.00 1.83 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.40 7.81 118 G 8.96 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 0.00 0.00 0.00 119 F 8.07 4.37 0.00 3.14 3.10 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 0.00 120 G 7.54 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 0.00 121 W 8.95 4.53 0.00 3.20 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 0.00 122 A 9.04 3.71 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.77 3.70 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 E 7.91 4.12 0.00 2.26 2.31 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 2.37 2.37 0.00 125 L 8.00 4.01 0.00 1.80 1.72 0.88 0.77 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 0.00 126 N 7.98 4.23 0.00 2.76 2.88 0.00 0.00 7.21 6.66 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 0.00 127 L 7.86 3.65 0.00 1.87 1.37 1.22 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 128 Q 7.61 4.04 0.00 2.23 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.77 0.00 0.00 0.00 0.00 0.00 2.68 2.67 0.00 129 D 8.18 4.34 0.00 2.78 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 0.00 130 V 7.67 3.55 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 1.00 0.00 0.00 0.88 0.00 0.00 131 Y 7.80 4.22 0.00 3.30 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 0.00 132 R 8.47 4.04 0.00 2.03 2.04 0.00 3.16 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.97 0.00 133 K 7.69 4.36 0.00 1.89 1.99 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.74 1.90 7.81 134 L 7.46 4.13 0.00 0.66 0.63 0.82 1.01 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 0.00 135 F 7.85 5.01 0.00 3.11 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 0.00 136 D 7.92 4.75 0.00 2.85 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 0.00 137 G 8.98 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 0.00 138 E 8.31 4.19 0.00 2.00 1.90 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 2.33 2.36 0.00 139 R 8.35 4.38 0.00 1.78 2.04 0.00 3.54 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 140 G 8.39 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 L 8.15 4.10 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 1.60 0.00 0.00 0.00 0.00 0.00 0.00 142 G 9.05 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 0.00 0.00 0.00 143 Y 8.02 4.59 0.00 3.05 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 0.00 144 P 0.00 3.31 0.00 2.18 1.59 0.00 3.66 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 2.04 1.98 0.00 145 R 8.22 3.86 0.00 1.76 1.95 0.00 3.29 0.00 0.00 3.39 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.58 0.00 146 E 8.01 4.03 0.00 2.04 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 2.23 2.24 0.00 147 R 8.02 4.39 0.00 1.99 1.95 0.00 3.13 0.00 0.00 3.17 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.51 0.00 148 A 8.01 3.97 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 0.00 149 E 8.24 4.08 0.00 1.99 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 2.38 2.26 0.00 150 I 7.22 3.49 2.04 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 1.17 0.63 0.90 0.00 0.00 *152 R 8.00 4.16 0.00 1.83 2.06 0.00 3.15 0.00 0.00 3.31 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 153 K 8.12 4.00 0.00 2.01 1.82 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.62 7.81 154 N 8.43 4.37 0.00 2.75 2.84 0.00 0.00 7.04 8.34 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 0.00 155 R 7.93 3.88 0.00 1.90 1.79 0.00 3.04 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 1.57 1.59 0.00 156 G 7.79 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 0.00 0.00 0.00 157 I 7.61 3.81 1.98 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 1.40 0.85 0.91 0.00 0.00 158 L 8.10 3.98 0.00 1.77 1.82 1.04 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 159 R 8.03 4.08 0.00 1.99 2.00 0.00 3.16 0.00 0.00 2.94 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.56 0.00 160 E 7.99 4.00 0.00 2.12 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 2.56 0.00 161 L 8.08 4.11 0.00 1.86 1.89 0.94 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 162 K 8.29 4.49 0.00 2.03 1.96 0.00 1.61 0.00 0.00 1.23 0.00 0.00 2.69 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.31 7.81 163 D 8.15 4.38 0.00 2.89 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 0.00 164 A 7.70 4.22 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 S 7.93 4.30 0.00 4.06 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 0.00 166 C 7.71 4.90 0.00 3.02 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 0.00 167 R 8.24 4.33 0.00 1.77 1.83 0.00 3.18 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 168 D 8.06 4.73 0.00 2.81 2.51 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 *170 L 8.59 4.16 0.00 1.74 1.87 0.80 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 171 T 8.09 3.79 4.37 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 1.16 0.00 0.00 172 V 7.77 3.59 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 1.06 0.00 0.00 0.92 0.00 0.00 173 L 7.74 3.94 0.00 1.59 1.69 0.97 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 174 K 7.68 4.10 0.00 1.47 1.69 0.00 1.41 0.00 0.00 1.44 0.00 0.00 2.81 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.32 0.79 7.81 175 T 7.07 4.45 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 176 V 7.66 3.80 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 0.74 0.00 0.00 0.90 0.00 0.00 177 D 8.52 4.33 0.00 2.70 2.57 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 0.00 178 Q 8.70 4.09 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.69 0.00 0.00 0.00 0.00 0.00 2.57 2.43 0.00 179 D 8.16 4.34 0.00 2.77 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 0.00 180 L 8.62 3.92 0.00 1.66 1.84 0.83 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 181 L 7.80 3.87 0.00 1.81 1.81 0.85 1.11 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 0.00 182 R 7.91 3.80 0.00 1.76 1.91 0.00 3.18 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.76 0.00 183 A 8.01 4.05 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 0.00 184 A 7.82 3.99 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 0.00 185 I 6.93 3.60 0.56 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.52 0.17 0.00 0.00 186 A 7.56 3.92 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 0.00 187 G 7.50 3.96 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 0.00 0.00 0.00 188 E 9.12 3.91 0.00 2.01 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 2.32 2.40 0.00 189 K 8.09 4.57 0.00 1.87 1.75 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.79 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.20 7.81 190 F 8.68 4.16 0.00 3.22 3.18 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 0.00 191 A 8.38 4.34 1.64 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 0.00 0.00 192 E 8.24 3.96 0.00 2.01 2.19 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 2.30 2.42 0.00 193 L 7.47 4.30 0.00 1.33 1.30 0.40 0.78 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 0.00 194 F 8.18 4.08 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 0.00 0.00 0.00 195 Y 7.91 3.83 0.00 3.08 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 P 0.00 4.46 0.00 2.02 2.12 0.00 3.58 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.21 0.00 197 N 7.87 4.71 0.00 2.47 2.62 0.00 0.00 6.48 8.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 C 6.94 3.99 0.00 1.80 2.39 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 0.00 199 K 8.69 4.23 0.00 1.85 1.80 0.00 1.70 0.00 0.00 1.61 0.00 0.00 3.07 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.43 7.81 200 D 7.65 4.75 0.00 2.71 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 0.00 201 D 8.60 4.46 0.00 2.76 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 0.00 202 A 8.13 4.11 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 0.00 203 I 8.24 3.81 2.15 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 1.52 0.87 1.14 0.00 0.00 204 A 8.16 4.53 1.67 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 0.00 205 N 8.69 4.40 0.00 2.83 2.96 0.00 0.00 7.04 7.46 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 0.00 206 Y 8.11 4.20 0.00 3.24 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 207 L 8.29 4.04 0.00 2.03 1.78 0.76 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 208 R 8.22 4.06 0.00 1.99 1.96 0.00 3.40 0.00 0.00 3.18 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.86 0.00 209 S 7.51 4.26 0.00 3.96 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 0.00 210 L 7.29 4.12 0.00 1.63 1.50 0.82 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.