NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.7186 8.2833 119.1965 53.6726 41.2044 176.4674 4 D 4.1589 7.7975 118.0353 57.0485 40.7206 176.9353 5 Y 4.4682 7.7074 117.0795 60.8947 38.2922 177.7139 6 L 4.0512 7.9919 120.9296 58.3203 42.1466 178.5534 7 N 4.3430 8.1812 115.3261 56.1283 38.7065 176.8529 8 F 4.3905 8.5519 122.1130 61.4363 39.4611 177.0342 9 L 3.6620 8.1867 118.4529 58.0280 41.2777 179.4420 10 D 4.5532 8.2187 117.3923 56.8235 40.7834 178.4667 11 G 3.8021 7.5886 104.8515 45.0325 0.0000 173.6307 12 R 3.9878 7.0862 122.1355 56.1419 30.1653 175.8243 13 V 4.5889 7.8460 117.2879 59.3129 35.8560 175.1596 14 S 4.4485 8.5171 117.7345 58.4311 63.1920 174.0915 15 V 4.1924 8.3785 125.2721 61.1883 32.7567 175.3905 16 R 4.1912 8.2933 124.0432 55.6801 31.5625 175.5998 17 R 4.3874 7.2590 117.8059 54.5528 31.9728 174.7641 18 F 5.4682 8.4721 122.1081 55.3879 42.5622 175.3173 19 D 4.7554 9.1473 121.9920 53.1137 41.2256 175.4134 20 P 4.8910 0.0000 0.0000 64.3143 31.5962 176.7395 21 D 4.6077 8.4733 117.9725 54.7809 41.5100 176.8275 22 A 4.2347 7.8818 122.4609 51.8801 18.9803 176.8708 23 V 4.3622 8.2567 120.1208 60.7922 34.0167 175.1424 24 L 4.5757 8.4276 127.2087 51.2112 42.8572 174.7608 25 P 4.4556 0.0000 0.0000 62.5771 33.3910 176.7985 26 N 4.3112 8.6710 117.2353 56.3555 38.4783 177.3579 27 D 4.3178 8.0055 120.2563 56.5797 39.2463 178.6278 28 L 3.7312 7.6726 118.9254 57.1571 41.7222 178.7834 29 I 3.8534 7.3723 118.9170 64.4549 37.3804 178.2398 30 K 4.1872 8.1630 119.0741 59.4308 31.8362 180.4778 31 D 4.5254 7.8403 117.4475 54.6801 40.7711 178.5027 *33 L 4.2385 7.9360 121.6303 54.9396 43.8312 179.0529 34 E 3.7823 8.2816 117.8312 59.6769 29.8846 178.2481 35 H 3.4978 8.0975 116.0570 58.5727 28.7387 177.6328 36 A 3.6327 7.6936 122.2672 54.8467 17.8974 179.3386 37 S 4.3568 7.6374 111.1767 60.8230 63.2133 175.4472 38 Y 4.6919 7.5398 119.0839 58.3149 37.9783 175.7813 39 A 4.2142 7.3472 123.8430 51.5585 19.0861 175.8052 40 P 4.8490 0.0000 0.0000 62.8368 32.6418 175.7372 41 S 4.9265 8.4145 112.0899 56.7093 65.7881 173.8970 42 G 3.8808 9.2992 111.6739 47.3477 0.0000 173.5154 43 N 3.9966 9.5174 120.6614 53.5849 36.2430 173.4579 44 N 4.3519 8.4361 113.8661 54.7582 37.9025 175.5004 45 F 4.5808 8.4997 116.3507 58.3888 39.9025 175.8423 46 Q 2.0000 7.8594 120.0232 55.7735 26.2284 172.5145 47 P 4.1580 0.0000 0.0000 62.7797 32.8687 177.8705 48 W 4.5604 6.2566 117.2057 56.8474 28.9653 175.9633 49 R 4.4413 8.7233 120.5758 54.3792 33.7751 174.2904 50 V 5.0587 8.3572 121.8702 61.1182 34.9159 174.5381 51 V 4.4878 9.0120 126.7924 61.1648 34.3081 174.0213 52 V 4.4036 8.4356 127.9884 61.2441 32.9451 174.7001 53 V 4.1373 8.7307 129.1319 61.3416 32.9967 174.5822 54 K 4.8173 8.1380 129.2419 53.0846 32.1394 172.9791 55 N 4.3196 8.9490 115.5725 51.0115 42.4162 175.3103 56 K 3.9816 8.5743 126.8352 59.3606 32.1872 178.6626 57 N 4.2855 8.3137 116.5460 56.6768 38.4753 177.2819 58 K 4.3571 8.4474 120.7169 59.1207 32.0387 179.5083 59 Q 4.0311 8.4229 118.5069 58.8319 28.4350 178.6510 60 E 3.9483 8.4440 119.9652 59.4350 29.2631 178.9945 61 D 4.2179 7.7287 117.6941 57.4290 41.2632 178.6785 62 L 3.9224 7.8341 119.3836 57.3635 41.4879 179.4215 63 K 3.9225 8.2521 120.1783 59.4391 31.8925 179.0114 64 K 3.9397 7.6384 117.6103 58.8290 32.2270 178.2519 65 L 4.4135 7.5738 116.6399 54.3321 42.0846 176.8014 66 A 4.5771 7.8197 123.0018 51.8710 19.4179 176.7509 67 A 3.5053 8.7885 118.3857 54.1567 16.2547 178.1146 68 L 3.7244 8.0587 114.8772 57.2142 39.3078 174.9156 69 Q 4.1560 7.8676 118.4824 55.0450 29.1921 175.9836 70 P 4.3288 0.0000 0.0000 65.7649 31.5346 178.5029 71 Q 4.4695 8.1331 118.2561 58.4903 28.0859 178.7458 72 V 3.6296 7.5550 119.5690 65.4992 31.6169 177.0710 73 A 4.3916 7.9744 119.1951 53.5979 19.2931 178.6640 74 T 4.2056 7.9175 107.1529 62.4464 69.5712 175.0057 75 A 3.7965 7.1778 123.8490 52.2165 18.9025 177.6913 76 S 4.3895 8.1625 116.6384 61.5283 63.5304 174.7412 77 A 4.5551 7.5178 118.1364 50.8629 22.5741 175.4931 78 V 4.5322 8.5147 121.2100 61.1826 33.7196 174.6380 79 F 4.7488 9.3891 128.3957 56.7925 39.9674 175.3512 80 L 4.7585 9.1789 124.9901 53.1418 43.7266 175.3923 81 L 5.0706 8.8717 125.0888 53.1288 43.6387 175.8914 82 F 5.1384 9.3499 122.6330 55.4772 43.1687 174.2944 83 G 4.1745 8.9833 108.2364 44.4990 0.0000 171.8030 84 D 5.1187 8.3032 124.6577 52.3285 42.1456 177.0425 85 E 3.9039 8.6251 126.7809 59.6348 28.4827 178.6985 86 N 4.5079 8.4999 114.2834 54.3172 38.6758 176.7888 87 A 3.7089 7.5028 121.9396 54.7574 18.9927 177.9316 88 Y 3.3901 6.4611 113.2291 56.9363 36.9693 176.3213 89 D 4.9027 7.6912 119.7755 52.9564 43.5321 175.6175 90 L 4.6093 8.7185 127.3208 57.3414 41.9074 179.4971 91 T 4.0361 8.2489 116.1234 66.3204 68.5484 176.1292 92 W 4.2516 9.0580 130.7006 60.3941 30.7015 177.6029 93 W 3.1723 8.6964 128.1160 60.3622 30.1913 177.9942 94 Q 3.9256 8.3045 117.4040 58.9678 28.1765 178.3088 95 E 3.8507 8.0547 119.5211 59.3768 29.5555 179.2269 96 F 3.7932 7.6855 120.5972 61.6981 39.3649 176.9786 97 H 3.7062 7.3518 115.6255 58.3072 28.3115 178.1868 98 V 3.9599 7.7204 124.1177 66.2196 31.2118 178.7068 99 Q 3.9532 7.9021 119.4166 59.9249 27.9315 179.7536 100 K 4.3152 7.3684 116.6903 55.7618 32.1874 177.4053 101 G 3.8284 7.5765 107.1587 46.5241 0.0000 175.3240 102 I 3.9193 7.6603 123.1067 63.0766 37.6216 176.3348 103 I 4.5364 6.9654 111.3468 58.3249 40.3667 174.2007 104 T 4.4429 8.1171 112.2775 60.8088 71.0697 175.5298 105 K 3.8709 8.4277 121.7334 59.7955 32.2899 178.4076 106 D 4.4222 8.1734 121.0014 58.1500 40.8765 179.1429 107 E 4.0475 8.2261 118.5660 61.0460 29.7131 180.8024 108 A 4.4783 8.4786 121.8114 55.0857 18.2987 179.6661 109 A 4.5348 8.4857 120.5450 54.7301 18.3116 179.8051 110 A 4.0214 8.1426 121.4262 55.9947 18.4457 180.7744 111 R 3.8553 8.2569 119.0131 61.4088 29.4033 180.7486 112 A 3.8509 8.1096 121.3682 54.9814 18.3547 179.4046 113 E 3.8737 8.0197 117.8782 59.3659 29.6024 179.3232 114 R 3.9092 7.7250 118.4258 59.1886 30.0342 179.0291 115 I 3.4089 7.7161 119.7158 64.2286 36.9255 178.6287 116 R 4.0345 8.1354 119.0135 59.5641 29.8152 179.1832 117 Q 4.1269 8.2370 117.7590 58.8933 28.6410 178.1987 118 Y 3.9859 8.1756 120.7332 60.9022 38.3946 178.3093 119 F 4.6406 8.3508 118.7459 60.5719 38.6739 177.2756 120 D 4.3999 8.2691 118.4028 57.5239 40.7200 178.5422 121 L 4.1039 7.3839 118.0138 56.1615 43.3117 177.0411 122 H 4.9251 7.7319 115.1240 53.2764 29.1028 172.4573 123 P 4.4489 0.0000 0.0000 64.8186 32.1027 179.4090 124 E 4.1338 8.1311 116.7794 59.0524 29.2801 178.0874 125 D 4.5880 8.2724 118.7665 55.4540 41.1034 177.3328 126 K 3.0606 7.5179 117.7367 55.7315 33.0332 175.7821 127 E 5.1148 7.1063 119.4976 54.4173 32.5571 175.9229 128 T 4.0818 8.5493 115.9391 67.2559 68.2695 176.2157 129 Q 4.1307 8.1114 119.5617 58.8428 28.7749 178.9097 130 G 3.7231 8.0109 108.1221 47.2972 0.0000 175.8494 131 L 4.1437 8.0936 121.6399 57.5626 41.6230 179.7963 132 R 3.9477 8.4350 118.5083 59.0549 29.9701 178.9601 133 L 3.9823 7.7778 120.1704 58.2772 42.3118 178.7108 134 D 4.5772 8.3562 118.8716 57.6873 40.8094 179.1106 135 V 4.0755 8.5125 119.0436 65.5637 31.2376 178.3576 136 G 3.6360 8.0384 105.2855 47.6167 0.0000 175.2937 137 L 4.1829 7.9431 120.5358 57.5714 42.0246 178.9107 138 F 3.8141 8.1244 119.8543 61.1179 38.8612 177.8944 139 A 4.0689 7.9983 116.3349 52.6448 18.1705 177.7263 *141 N 4.5753 8.0970 120.6973 55.1005 40.6613 177.6652 142 L 3.8483 7.4467 119.7584 55.0566 41.4560 178.6920 *144 Q 4.1457 8.2509 117.5093 55.4630 31.0160 177.9012 145 V 3.6785 8.0706 117.3217 66.1666 31.3371 178.5193 146 V 3.8517 8.0395 112.1963 64.5107 31.3054 178.7697 147 R 4.5776 7.9031 118.9680 58.6310 29.6074 178.9742 148 V 3.4729 7.7617 117.8118 65.9392 31.4442 176.1726 149 Y 4.3975 7.9865 114.0427 58.0846 38.0568 176.0141 150 G 3.8851 8.3187 108.8187 45.0513 0.0000 173.1056 151 Y 4.8137 7.8304 117.8308 56.9197 40.8572 173.7851 152 D 5.1330 9.5392 120.1162 53.4474 46.3323 174.3092 153 S 5.8306 8.6587 112.7880 57.9764 66.8742 173.3761 154 V 4.8077 8.2084 119.1361 59.5176 33.5985 173.6572 155 P 4.5523 0.0000 0.0000 62.2963 32.4611 176.4819 *157 R 4.4088 8.5684 117.2026 55.8908 32.2722 176.9014 158 G 3.9169 7.7762 108.4036 44.4099 0.0000 172.5685 159 V 4.2989 6.6398 110.6862 59.1400 36.5272 176.6312 160 D 4.6088 8.7078 121.9838 53.1216 39.2849 176.6378 161 F 4.4236 8.2293 123.8210 59.9424 39.3387 176.5008 162 D 4.4418 8.3552 118.1923 57.4474 40.6528 178.4838 163 A 4.1193 8.3943 121.2646 55.0331 18.3150 179.8204 164 I 3.7846 7.9924 118.5566 64.4850 37.3497 178.6785 165 K 4.1082 8.4622 119.4073 59.9487 31.7122 179.4973 166 T 3.9023 7.6448 114.1177 66.8105 68.5504 175.6974 167 Y 4.2732 8.5142 121.7220 60.2074 38.6145 177.2089 168 L 4.5543 8.1966 118.9529 52.9554 42.1413 175.1138 169 D 3.9516 7.2522 119.0441 52.8656 38.9242 176.1753 *171 P 3.9281 0.0000 0.0000 61.5901 32.3777 178.4586 172 N 4.4051 8.6096 118.7041 54.9190 37.7368 175.1913 173 G 3.9161 7.9708 103.8602 46.3078 0.0000 172.5316 174 W 5.0682 7.7970 120.7528 55.4493 30.0841 175.7090 175 E 4.6590 9.3545 126.3007 54.4265 30.5720 174.1726 176 P 3.9777 0.0000 0.0000 63.1514 31.5761 175.2010 177 I 4.0606 8.0772 123.9257 62.4937 38.9688 174.8143 178 L 4.1188 6.9393 124.0321 54.4594 46.2488 174.0134 *180 L 4.6501 8.5931 115.8845 54.3636 43.2581 174.5417 181 P 4.7986 0.0000 0.0000 62.2398 32.9515 175.1991 182 V 4.6461 8.4407 124.1353 61.2776 34.9446 174.7964 183 G 4.1229 8.2967 112.9127 45.6908 0.0000 171.4024 184 K 4.8045 8.5191 121.2959 55.2806 33.2434 176.2397 185 A 4.5179 8.8615 130.1152 52.6158 18.3388 176.9385 186 L 4.4457 8.8793 122.3833 55.4496 42.9301 177.0570 187 Q 4.3765 7.6847 118.6936 53.8567 32.0607 174.0069 188 A 4.0790 8.5210 127.9460 51.9730 19.0624 177.3506 189 G 3.8000 8.1964 109.4790 45.0303 0.0000 173.2773 190 N 4.6191 8.1941 116.7814 51.5598 39.4677 173.9148 191 P 4.2988 0.0000 0.0000 62.8125 32.0214 176.1427 192 H 4.3752 8.4795 118.3567 55.6919 29.1604 175.1410 193 V 4.4020 8.3430 123.8780 61.0705 33.2346 174.7089 194 R 4.7558 8.1981 124.4931 54.1240 34.2257 175.0417 195 K 4.2976 8.4563 119.5414 56.3369 32.8811 177.5169 196 S 4.4622 9.3791 117.3626 57.7979 64.0283 175.5549 197 V 2.5761 8.3376 120.1385 65.8631 30.9285 178.0033 198 A 3.9046 7.1626 118.8980 54.6663 18.2060 178.8864 199 E 4.2112 7.8825 116.5939 57.7590 29.8236 177.2509 200 F 4.9226 7.7991 110.2219 55.9547 39.5480 174.7311 201 A 4.7399 7.6903 123.7621 50.1376 21.6791 174.8338 202 E 4.6046 8.6006 120.6170 54.1979 32.3877 175.0572 203 I 4.3831 8.3228 126.2048 59.4957 39.0953 174.8350 204 I 4.4024 8.3440 126.1108 59.6024 38.7386 175.4973 205 E 4.2799 8.7212 124.0553 56.4340 29.7832 175.9266 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 3 N 8.28 4.72 0.00 2.75 2.83 0.00 0.00 7.09 7.61 0.00 0.00 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 D 7.80 4.16 0.00 2.41 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 Y 7.71 4.47 0.00 3.04 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 6 L 7.99 4.05 0.00 1.83 1.83 0.97 0.71 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 7 N 8.18 4.34 0.00 2.98 2.91 0.00 0.00 7.03 7.02 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 8 F 8.55 4.39 0.00 3.24 3.41 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 9 L 8.19 3.66 0.00 1.89 1.67 0.98 1.04 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 10 D 8.22 4.55 0.00 2.80 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 11 G 7.59 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 R 7.09 3.99 0.00 1.73 1.77 0.00 3.16 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.51 0.00 13 V 7.85 4.59 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 0.65 0.00 0.00 0.86 0.00 0.00 14 S 8.52 4.45 0.00 3.84 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 15 V 8.38 4.19 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 0.38 0.00 0.00 0.90 0.00 0.00 16 R 8.29 4.19 0.00 1.69 1.82 0.00 3.16 0.00 0.00 3.19 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.52 0.00 17 R 7.26 4.39 0.00 1.68 1.76 0.00 3.19 0.00 0.00 3.34 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.19 0.00 18 F 8.47 5.47 0.00 2.96 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 19 D 9.15 4.76 0.00 2.79 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 20 P 0.00 4.89 0.00 2.25 2.21 0.00 3.46 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 21 D 8.47 4.61 0.00 2.84 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 22 A 7.88 4.23 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 23 V 8.26 4.36 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 0.86 0.00 0.00 0.96 0.00 0.00 24 L 8.43 4.58 0.00 1.26 1.39 0.18 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 4.46 0.00 2.50 2.17 0.00 3.75 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.09 0.00 26 N 8.67 4.31 0.00 2.80 2.87 0.00 0.00 6.69 8.08 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 27 D 8.01 4.32 0.00 2.86 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 28 L 7.67 3.73 0.00 1.57 1.32 1.02 0.71 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 29 I 7.37 3.85 1.94 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.52 0.80 0.00 0.00 30 K 8.16 4.19 0.00 1.93 1.85 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.60 7.81 31 D 7.84 4.53 0.00 2.69 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 *33 L 7.94 4.24 0.00 1.92 1.88 1.01 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.28 3.78 0.00 1.99 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 1.98 2.27 0.00 35 H 8.10 3.50 0.00 3.14 3.26 0.00 5.68 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 A 7.69 3.63 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.64 4.36 0.00 4.49 4.35 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 38 Y 7.54 4.69 0.00 3.13 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 39 A 7.35 4.21 1.23 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 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0.00 0.00 1.44 1.64 7.81 65 L 7.57 4.41 0.00 1.73 1.60 0.77 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 66 A 7.82 4.58 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 67 A 8.79 3.51 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 68 L 8.06 3.72 0.00 1.78 1.74 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 69 Q 7.87 4.16 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 70 P 0.00 4.33 0.00 2.28 2.31 0.00 3.70 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.01 0.00 71 Q 8.13 4.47 0.00 2.61 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.94 0.00 0.00 0.00 0.00 0.00 2.51 2.37 0.00 72 V 7.56 3.63 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 0.82 0.00 0.00 0.97 0.00 0.00 73 A 7.97 4.39 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0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 115 I 7.72 3.41 1.70 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.37 0.66 0.00 0.00 116 R 8.14 4.03 0.00 2.05 2.03 0.00 3.33 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 1.74 1.92 0.00 117 Q 8.24 4.13 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 118 Y 8.18 3.99 0.00 2.96 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 0.00 119 F 8.35 4.64 0.00 3.09 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 0.00 120 D 8.27 4.40 0.00 2.83 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 0.00 121 L 7.38 4.10 0.00 1.37 1.23 0.85 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 122 H 7.73 4.93 0.00 2.58 2.97 0.00 5.82 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 P 0.00 4.45 0.00 2.30 2.26 0.00 3.87 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.87 0.00 124 E 8.13 4.13 0.00 2.27 2.24 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 2.38 2.29 0.00 125 D 8.27 4.59 0.00 3.24 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 0.00 126 K 7.52 3.06 0.00 0.81 0.74 0.00 1.09 0.00 0.00 0.67 0.00 0.00 2.80 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.74 0.94 7.81 127 E 7.11 5.11 0.00 1.94 1.85 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 2.20 2.26 0.00 128 T 8.55 4.08 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 1.26 0.00 0.00 129 Q 8.11 4.13 0.00 2.33 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.50 0.00 130 G 8.01 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 0.00 131 L 8.09 4.14 0.00 1.92 1.74 0.99 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 132 R 8.44 3.95 0.00 1.97 2.01 0.00 3.29 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.79 0.00 133 L 7.78 3.98 0.00 1.78 1.89 0.99 1.31 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 0.00 134 D 8.36 4.58 0.00 2.96 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 0.00 135 V 8.51 4.08 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 1.12 0.00 0.00 1.01 0.00 0.00 136 G 8.04 3.64 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 0.00 137 L 7.94 4.18 0.00 2.00 1.86 1.15 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.12 3.81 0.00 2.08 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 A 8.00 4.07 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 *141 N 8.10 4.58 0.00 2.79 2.58 0.00 0.00 6.71 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 0.00 142 L 7.45 3.85 0.00 1.04 1.40 0.53 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 *144 Q 8.25 4.15 0.00 2.26 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.68 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 145 V 8.07 3.68 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 1.14 0.00 0.00 0.95 0.00 0.00 146 V 8.04 3.85 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 0.60 0.00 0.00 0.93 0.00 0.00 147 R 7.90 4.58 0.00 2.12 2.10 0.00 3.09 0.00 0.00 3.02 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.52 0.00 148 V 7.76 3.47 1.83 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 0.23 0.00 0.00 0.84 0.00 0.00 149 Y 7.99 4.40 0.00 3.44 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 0.00 150 G 8.32 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Y 7.83 4.81 0.00 3.14 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.54 5.13 0.00 2.71 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 0.00 153 S 8.66 5.83 0.00 3.95 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 0.00 154 V 8.21 4.81 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 0.97 0.00 0.00 0.95 0.00 0.00 155 P 0.00 4.55 0.00 2.11 2.12 0.00 3.81 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 *157 R 8.57 4.41 0.00 1.94 2.25 0.00 3.41 0.00 0.00 3.30 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.76 0.00 158 G 7.78 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 0.00 159 V 6.64 4.30 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 0.50 0.00 0.00 -0.38 0.00 0.00 160 D 8.71 4.61 0.00 2.60 2.59 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 0.00 0.00 0.00 0.00 161 F 8.23 4.42 0.00 3.15 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 0.00 162 D 8.36 4.44 0.00 2.90 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 0.00 163 A 8.39 4.12 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 0.00 164 I 7.99 3.78 2.22 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.78 1.15 0.00 0.00 165 K 8.46 4.11 0.00 2.08 1.94 0.00 1.88 0.00 0.00 1.79 0.00 0.00 2.99 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.72 1.92 7.81 166 T 7.64 3.90 4.46 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 1.25 0.00 0.00 167 Y 8.51 4.27 0.00 3.13 3.23 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 0.00 168 L 8.20 4.55 0.00 1.75 1.71 1.14 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 169 D 7.25 3.95 0.00 2.85 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 *171 P 0.00 3.93 0.00 1.25 1.50 0.00 2.20 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.25 0.00 172 N 8.61 4.41 0.00 2.74 2.74 0.00 0.00 6.71 7.51 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 0.00 173 G 7.97 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 0.00 174 W 7.80 5.07 0.00 3.06 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 E 9.35 4.66 0.00 1.89 1.87 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 0.00 2.33 2.29 0.00 176 P 0.00 3.98 0.00 0.49 1.71 0.00 3.70 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 1.73 2.02 0.00 177 I 8.08 4.06 1.84 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 1.18 0.87 0.89 0.00 0.00 178 L 6.94 4.12 0.00 1.72 1.43 0.97 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 *180 L 8.59 4.65 0.00 1.86 1.75 0.95 0.66 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 0.00 181 P 0.00 4.80 0.00 2.29 2.00 0.00 3.91 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.14 0.00 182 V 8.44 4.65 2.17 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 0.87 0.00 0.00 0.57 0.00 0.00 183 G 8.30 4.12 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 0.00 0.00 0.00 184 K 8.52 4.80 0.00 1.90 1.80 0.00 1.57 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.50 1.55 7.81 185 A 8.86 4.52 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 0.00 186 L 8.88 4.45 0.00 1.50 1.72 1.01 0.98 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 0.00 187 Q 7.68 4.38 0.00 1.90 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.99 0.00 0.00 0.00 0.00 0.00 2.19 2.31 0.00 188 A 8.52 4.08 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 0.00 189 G 8.20 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 N 8.19 4.62 0.00 2.69 2.72 0.00 0.00 6.94 8.02 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 0.00 191 P 0.00 4.30 0.00 2.02 1.96 0.00 3.64 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 192 H 8.48 4.38 0.00 3.15 3.21 0.00 5.65 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 0.00 193 V 8.34 4.40 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 0.85 0.00 0.00 0.94 0.00 0.00 194 R 8.20 4.76 0.00 1.81 1.78 0.00 3.38 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 195 K 8.46 4.30 0.00 1.87 1.89 0.00 1.77 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.46 7.81 196 S 9.38 4.46 0.00 3.94 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 0.00 197 V 8.34 2.58 1.92 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 0.74 0.00 0.00 0.88 0.00 0.00 198 A 7.16 3.90 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 199 E 7.88 4.21 0.00 2.22 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 2.35 2.33 0.00 200 F 7.80 4.92 0.00 3.01 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 0.00 201 A 7.69 4.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 202 E 8.60 4.60 0.00 1.87 1.79 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 2.16 2.27 0.00 203 I 8.32 4.38 1.85 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 1.39 0.72 0.90 0.00 0.00 204 I 8.34 4.40 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.58 0.91 0.00 0.00 205 E 8.72 4.28 0.00 1.91 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 2.20 2.25 0.00 * Residues marked with a * may have inaccurate shift predictions.