NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.5662 8.2549 119.6565 55.6382 31.4448 174.8965 3 L 4.0274 8.3657 122.8295 53.1402 42.6560 175.6486 4 C 4.5570 8.5580 118.8861 57.4283 31.6790 173.7550 5 D 4.3665 8.8779 119.5238 56.7999 38.4921 178.9781 6 R 3.9814 7.9215 119.2823 59.5184 30.2004 178.1593 7 D 4.5427 8.0896 118.0103 56.9444 40.9086 178.6030 8 I 3.5383 8.0049 120.8890 64.3874 37.1035 177.8720 9 E 3.9469 8.3165 119.0320 59.6918 29.4120 179.4252 10 A 4.0672 8.2460 120.4299 55.1818 18.5538 179.7791 11 W 4.0182 8.6992 117.5267 59.7116 28.8470 178.8596 12 L 4.3245 7.8127 119.7188 57.4073 41.1097 178.9766 13 D 4.4853 8.3512 118.5112 57.2687 40.8518 178.1359 14 E 4.0624 8.1636 118.9387 57.0501 29.6561 177.7999 15 G 3.9148 7.6590 105.3493 45.4966 0.0000 174.3707 16 R 3.9221 7.9067 120.3460 58.8434 30.4864 176.5144 17 L 4.7305 7.7631 119.1408 54.6090 44.1087 175.2803 18 S 4.7128 8.4733 118.2923 57.0906 66.2588 172.7828 19 I 5.0982 8.4057 126.4404 59.7723 41.2097 173.8116 20 N 5.3002 9.3048 124.4038 50.5903 42.1145 172.4451 21 P 4.6694 0.0000 0.0000 62.3292 32.5721 176.2589 22 R 4.2128 8.3583 121.8666 55.0550 30.4741 174.7527 23 P 4.4250 0.0000 0.0000 61.5623 32.1449 174.4389 24 P 4.5720 0.0000 0.0000 62.1168 32.5372 177.2672 25 V 3.6528 8.2986 116.8267 66.0481 31.4057 177.5127 26 E 4.1598 8.1830 117.5368 58.2346 29.7023 177.4211 27 R 4.4858 7.9513 116.8955 55.5562 30.5234 175.2607 28 I 4.9518 7.4612 119.2230 59.8173 39.0317 174.5428 29 N 5.0649 8.6329 121.1646 53.0071 41.9279 177.5971 30 G 4.0005 9.6525 111.1523 46.5709 0.0000 174.6472 31 A 5.1010 9.3446 116.5120 50.3259 21.2166 177.9118 32 T 4.9806 8.4697 107.7764 61.7875 73.1763 172.5157 33 V 4.9486 8.6175 122.4538 61.1419 34.0246 174.6074 34 D 5.0283 8.8722 128.1460 54.4881 41.5919 176.1471 35 V 4.6131 8.7083 115.1768 59.7242 35.5541 174.8486 36 R 4.9896 9.3988 121.1489 54.1721 33.8768 174.9933 37 L 4.3404 8.3925 123.2379 55.1177 43.3350 177.0756 38 G 3.9291 8.6493 115.3366 45.4197 0.0000 174.2565 39 N 5.4377 8.6291 121.8099 52.3459 39.0118 173.7545 40 K 5.2969 7.6336 117.8332 55.4225 35.8612 175.0489 41 F 4.9404 9.0478 120.7387 56.4604 44.1878 173.5920 42 R 5.0736 8.9240 118.7967 55.0083 34.6290 174.4966 43 T 5.1179 8.5573 112.3485 60.0249 72.1360 172.8642 44 F 5.0476 8.8900 119.3779 55.9934 40.7894 176.5835 45 R 4.6374 8.8900 123.5980 54.1149 29.7826 176.7222 46 G 3.7813 8.3315 111.3831 47.7908 0.0000 172.6314 47 H 4.4460 8.1749 114.2977 57.3027 28.8214 175.8849 48 T 4.2958 7.5892 108.8210 61.9082 69.4978 173.9953 49 A 4.6445 7.5121 123.3297 50.9814 22.4356 175.9582 50 A 4.3387 8.6194 122.7223 54.5398 19.2500 177.4379 51 F 4.7243 7.3530 107.5514 56.6826 40.0455 172.8134 52 I 4.0300 8.3012 121.2252 59.3537 39.3012 175.5947 53 D 4.7503 8.0878 125.4952 52.8271 40.0674 176.2659 54 L 4.0817 8.6107 127.3246 56.8586 42.1748 178.4637 55 S 4.7513 7.9487 111.7764 57.6292 63.0863 172.8068 56 G 4.1139 7.5947 109.2350 43.9410 0.0000 171.8782 57 P 4.2453 0.0000 0.0000 62.6324 32.6441 177.0688 58 K 3.8383 8.7857 123.0794 60.0941 32.0923 178.7091 59 D 4.3692 8.0209 118.3404 57.4251 40.2983 178.4713 60 E 4.0134 8.1014 118.5789 58.9331 29.4258 179.4066 61 V 3.5831 7.6470 118.1651 65.6912 31.6716 177.9419 62 S 4.0373 8.1316 112.6526 61.4861 62.1323 176.0569 63 A 3.9847 8.0292 123.1765 55.0015 18.0845 179.4784 64 A 3.9006 7.6609 118.2747 55.2449 18.2346 179.8125 65 L 3.9752 7.8340 116.4305 58.2321 41.8199 179.3936 66 D 4.4991 7.9568 117.3763 57.0155 40.7276 178.8138 67 R 4.0991 7.5693 118.2695 58.6496 31.7235 178.6939 68 V 4.4310 7.9096 115.2159 58.7156 28.3012 174.9251 *70 S 4.4421 7.0625 113.1740 57.7278 64.5946 173.9198 71 D 4.5584 8.2911 120.2832 53.7325 41.2052 176.0269 72 E 4.2642 8.5719 122.2043 56.8248 30.5318 175.8523 73 I 4.4863 9.1326 127.9758 59.8674 39.3336 174.6207 74 V 4.9253 8.4724 127.0391 61.1513 33.1418 174.6768 75 L 4.6365 8.6811 128.7440 54.3962 42.6157 177.2934 76 D 4.7376 8.5359 122.7630 53.0097 43.2674 174.5422 77 E 4.0239 8.7798 121.2156 58.0978 29.7919 177.1924 78 G 4.0357 8.7401 113.6854 46.4860 0.0000 172.7009 79 E 4.4016 7.7148 117.4147 54.8867 30.7436 175.6482 80 A 4.7933 8.1233 122.9590 50.0931 22.1493 175.2908 81 F 4.2195 8.5033 122.4234 56.6134 41.3541 174.3106 82 Y 4.6449 7.7635 124.2558 56.5809 38.7706 175.1018 83 L 4.4734 8.7159 128.7572 54.4941 43.2779 175.2369 84 H 5.0606 8.6734 123.8266 53.5038 31.0246 173.2604 85 P 4.2768 0.0000 0.0000 64.6002 31.5571 176.6566 86 G 4.1738 8.5227 109.9704 45.2209 0.0000 172.5625 87 E 4.8108 7.8011 119.4804 54.1685 32.0449 174.8524 88 L 5.2009 8.8200 126.3140 54.2680 43.5807 175.2869 89 A 5.2192 9.1713 125.9750 50.7823 23.3730 174.7711 90 L 5.0395 8.8927 119.4116 53.6876 44.5823 176.2228 91 A 4.6099 8.7927 122.4393 50.8929 22.7801 175.0408 92 V 4.7897 7.5590 113.3651 60.4103 34.9889 174.6762 93 T 4.4148 8.4280 112.9441 61.5152 69.1150 174.4750 94 L 4.1162 8.6999 126.6165 58.3428 42.4426 177.4613 95 E 4.5030 8.0937 118.4715 55.9844 30.9443 176.0988 96 S 4.6166 9.0970 119.7351 57.7682 64.1893 172.8298 97 V 4.9843 8.7827 125.8032 61.4556 34.7027 174.2451 98 T 5.1226 9.0171 123.2546 61.9115 71.9072 172.7835 99 L 4.9978 8.9748 126.9515 52.3315 44.5285 175.0373 100 P 5.1104 0.0000 0.0000 62.0726 33.3497 176.3790 101 A 4.2456 8.8306 120.1449 53.5067 19.5788 178.3966 102 D 5.2191 7.7329 115.8862 52.7165 40.9082 175.7585 103 L 5.2742 7.9267 120.0328 54.4370 45.9289 174.6015 104 V 4.6305 8.8785 124.8435 59.7960 34.6737 174.6897 105 G 4.2212 8.4846 109.4006 44.1900 0.0000 171.9007 106 W 5.3524 8.2343 119.5984 54.5646 33.3487 174.0771 107 L 4.8527 8.7455 127.6361 54.2228 42.4049 175.5059 108 D 4.9547 9.2111 126.7105 52.3242 43.3847 176.7456 109 G 4.2560 8.5108 116.1816 45.8061 0.0000 174.2087 110 R 4.6829 8.2564 120.5912 53.4489 35.5914 175.6311 111 S 4.1402 8.7461 116.5168 61.8023 62.2017 176.8621 112 S 4.1939 8.0057 116.4801 61.0793 62.8249 175.9127 113 L 4.2186 7.7140 121.0260 57.1303 41.7684 178.5312 114 A 4.0154 8.3459 121.1735 55.2981 18.1016 179.3197 115 R 4.1475 7.7732 112.9832 57.5835 30.2980 177.1148 116 L 4.5314 8.0776 117.0821 54.1950 42.4496 177.4216 117 G 3.8608 8.4662 108.0699 45.1802 0.0000 173.8138 118 L 4.6633 7.2720 121.0876 54.3981 43.1103 176.7208 *120 V 4.3519 8.0419 111.9847 61.0510 33.1376 174.8873 121 H 4.9182 7.6617 113.6139 54.4447 31.1321 173.6823 122 V 4.0333 8.0174 119.4668 62.2225 31.7342 175.4297 123 T 3.6017 8.2786 120.0314 61.1728 67.6614 175.3142 124 A 4.3475 7.4567 126.6408 52.8691 20.7564 175.6116 125 H 4.8034 8.5903 115.1466 56.0079 31.0687 172.3849 126 R 3.7920 7.9018 119.3661 55.5465 31.1250 175.4479 127 I 3.7115 7.5270 127.4976 59.3759 38.9103 175.2787 128 D 4.7795 8.0061 127.3492 52.6901 42.6380 174.4045 129 P 4.9605 0.0000 0.0000 63.9600 30.3354 177.6129 130 G 4.1674 8.7753 109.6032 46.0103 0.0000 173.2975 131 W 4.4036 7.9626 130.2290 57.8231 31.7635 175.0673 132 S 4.4280 6.6083 118.2268 56.8771 64.3236 173.6696 133 G 4.3096 7.8764 116.7012 44.0116 0.0000 171.0267 134 C 4.9826 7.5529 117.1807 59.3861 29.0516 173.6582 135 I 4.3375 8.4253 122.6821 59.8151 38.6664 175.1983 136 V 4.0552 8.2127 127.5180 62.4857 32.4570 174.8488 137 L 4.4039 8.6207 127.9247 52.9490 43.9354 175.4787 138 A 4.9304 8.2995 125.5132 50.4712 19.8627 175.7727 139 F 5.0340 9.0102 120.9753 57.9544 41.1368 174.8689 140 Y 5.1823 8.5715 122.6875 56.1593 42.5233 173.1476 141 N 4.8582 7.8945 125.9626 52.5560 39.4753 174.8850 142 S 4.5742 8.8363 121.1621 58.5578 64.0620 175.1295 143 G 3.9676 7.9565 110.3066 45.1421 0.0000 173.0849 144 K 4.3539 8.4910 116.5364 56.3692 33.2630 176.5648 145 L 4.7973 7.4675 117.8442 51.6783 44.2878 174.3824 146 P 4.5685 0.0000 0.0000 62.9793 32.3074 175.5819 147 L 4.7977 8.5457 122.1862 52.8006 44.9768 175.4336 148 A 4.4530 8.6724 125.8699 51.2627 19.5730 176.2390 149 L 4.6266 8.7060 123.6228 53.1264 44.0161 175.9327 150 R 4.8981 8.4026 122.0890 53.3428 33.1039 173.7374 151 P 4.4241 0.0000 0.0000 63.3307 31.8292 176.8708 152 G 3.7696 8.7022 111.8692 46.0427 0.0000 172.9535 *154 L 4.2218 7.2607 116.3632 54.9783 43.1441 176.9125 155 I 4.4046 8.1384 123.1102 61.4463 40.5349 174.8879 156 G 4.2161 7.5427 105.7518 46.4135 0.0000 171.8942 157 A 5.2657 8.4780 120.0256 50.4888 23.2419 175.6935 158 L 5.1401 9.2486 120.0966 52.8039 44.9559 176.0857 159 S 5.0505 8.3953 117.0834 56.5045 66.7372 172.8429 160 F 5.3218 8.3936 117.7615 55.7834 43.4951 173.5759 161 E 4.8792 9.1595 122.8897 53.6915 32.4244 173.0598 162 P 4.8861 0.0000 0.0000 63.0078 32.1360 176.2926 163 L 4.6438 8.4991 123.4851 53.4247 42.8029 177.3084 164 S 4.2380 8.8056 115.1671 61.4255 63.0946 173.9262 165 G 4.1192 7.4325 107.0641 43.7129 0.0000 169.9245 166 P 4.4918 0.0000 0.0000 62.0091 31.8026 176.1850 167 A 4.1190 8.5492 126.8844 52.2187 18.8196 177.8527 168 V 3.7908 8.4371 122.1211 65.0198 32.4103 176.5211 169 R 4.6436 7.5325 117.0516 53.8032 30.1894 172.2745 170 P 4.6581 0.0000 0.0000 61.9820 33.0437 177.7400 171 Y 4.0502 9.2201 120.1014 60.5810 38.9913 177.4285 172 N 4.3525 7.9928 114.7001 54.4470 37.6339 176.2123 173 R 4.4802 7.4731 115.8087 55.9232 32.1334 176.0489 174 R 3.9746 7.3696 119.7918 55.6361 30.4390 176.5151 175 E 3.8418 8.9777 127.0686 59.0268 29.7466 176.9674 176 D 4.6917 7.8048 114.6452 52.7278 39.7630 175.9735 177 A 3.9863 7.2977 123.1788 52.6423 18.6589 178.5476 178 K 4.0817 8.5882 120.8238 57.5184 32.9073 177.0801 179 Y 5.0884 7.8308 115.2886 57.5745 38.8301 176.0521 180 R 3.7871 8.1943 118.3654 57.2950 31.1322 175.9567 181 N 3.8907 7.4908 116.8859 54.6481 36.8086 176.0190 182 Q 4.4319 7.4412 120.3850 55.0044 28.7710 175.0525 183 Q 4.2146 8.5491 124.6110 57.1556 30.0679 176.3535 184 G 4.0906 7.6020 107.1840 44.7670 0.0000 173.4899 185 A 4.2062 8.3929 118.9892 50.8118 17.0185 176.8860 186 V 3.6905 7.4696 120.3558 61.7870 32.7069 175.9565 187 A 4.3020 8.3356 129.7025 51.0505 19.2599 176.8552 188 S 4.3067 8.6237 113.9569 59.5026 62.7542 174.3786 189 R 4.8099 9.0253 125.5680 55.1953 30.6449 178.1075 190 I 3.6749 7.9053 122.3365 64.3172 37.8775 177.2697 191 D 4.4731 8.2347 118.8200 55.4928 39.1062 177.4308 192 K 4.4649 7.8636 117.9993 56.1568 32.4689 176.3019 193 D 4.5377 7.7903 124.5116 54.7696 40.6539 176.2119 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 2 R 8.25 4.57 0.00 1.70 1.93 0.00 3.34 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 3 L 8.37 4.03 0.00 1.53 1.46 -0.16 0.28 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 4 C 8.56 4.56 0.00 3.01 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 5 D 8.88 4.37 0.00 3.01 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 6 R 7.92 3.98 0.00 1.97 2.00 0.00 3.25 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.81 0.00 7 D 8.09 4.54 0.00 2.75 2.77 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 0.00 0.00 0.00 0.00 8 I 8.00 3.54 2.05 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.70 0.90 0.00 0.00 9 E 8.32 3.95 0.00 2.35 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 0.00 2.36 2.37 0.00 10 A 8.25 4.07 1.49 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 0.00 0.00 11 W 8.70 4.02 0.00 3.42 3.20 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 12 L 7.81 4.32 0.00 1.85 1.74 0.92 1.03 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 13 D 8.35 4.49 0.00 2.79 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.16 4.06 0.00 1.84 1.80 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 2.19 2.22 0.00 15 G 7.66 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 16 R 7.91 3.92 0.00 1.58 1.93 0.00 3.01 0.00 0.00 2.82 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.53 0.00 17 L 7.76 4.73 0.00 1.97 1.61 0.77 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.47 4.71 0.00 3.85 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 19 I 8.41 5.10 1.90 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.72 1.02 0.00 0.00 20 N 9.30 5.30 0.00 2.58 2.67 0.00 0.00 6.34 8.68 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 21 P 0.00 4.67 0.00 2.08 2.06 0.00 3.78 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 22 R 8.36 4.21 0.00 1.90 1.90 0.00 3.07 0.00 0.00 2.25 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 23 P 0.00 4.43 0.00 2.11 1.99 0.00 3.77 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.10 0.00 24 P 0.00 4.57 0.00 2.45 2.23 0.00 3.72 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 1.96 0.00 25 V 8.30 3.65 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 1.00 0.00 0.00 0.95 0.00 0.00 26 E 8.18 4.16 0.00 1.99 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 2.32 2.40 0.00 27 R 7.95 4.49 0.00 1.82 1.93 0.00 3.24 0.00 0.00 3.19 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.73 0.00 28 I 7.46 4.95 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.76 0.95 0.00 0.00 29 N 8.63 5.06 0.00 2.93 2.88 0.00 0.00 6.71 6.25 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 30 G 9.65 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.34 5.10 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 32 T 8.47 4.98 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 1.19 0.00 0.00 33 V 8.62 4.95 2.25 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 1.05 0.00 0.00 1.15 0.00 0.00 34 D 8.87 5.03 0.00 2.64 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 35 V 8.71 4.61 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 0.80 0.00 0.00 0.95 0.00 0.00 36 R 9.40 4.99 0.00 1.80 1.82 0.00 3.13 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 37 L 8.39 4.34 0.00 1.88 1.60 1.16 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 38 G 8.65 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 0.00 0.00 0.00 39 N 8.63 5.44 0.00 2.83 3.02 0.00 0.00 5.76 6.69 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 40 K 7.63 5.30 0.00 1.54 1.75 0.00 1.60 0.00 0.00 2.01 0.00 0.00 2.85 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.40 7.81 41 F 9.05 4.94 0.00 2.96 2.58 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 50 A 8.62 4.34 1.51 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 51 F 7.35 4.72 0.00 3.14 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 52 I 8.30 4.03 1.88 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.65 0.89 0.00 0.00 53 D 8.09 4.75 0.00 2.59 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 54 L 8.61 4.08 0.00 1.71 1.75 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 55 S 7.95 4.75 0.00 3.95 3.90 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 56 G 7.59 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 4.25 0.00 2.16 2.01 0.00 3.63 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.17 0.00 58 K 8.79 3.84 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0.00 3.12 3.15 0.00 5.71 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 P 0.00 4.28 0.00 2.01 2.16 0.00 3.79 0.00 0.00 3.70 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 86 G 8.52 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 0.00 0.00 0.00 0.00 87 E 7.80 4.81 0.00 2.08 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 2.54 2.44 0.00 88 L 8.82 5.20 0.00 1.80 1.56 1.09 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 89 A 9.17 5.22 1.49 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 0.00 0.00 90 L 8.89 5.04 0.00 1.52 1.48 0.87 1.17 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 91 A 8.79 4.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 V 7.56 4.79 1.92 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 L 7.27 4.66 0.00 1.53 1.58 0.69 0.70 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 *120 V 8.04 4.35 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 1.06 0.00 0.00 1.01 0.00 0.00 121 H 7.66 4.92 0.00 3.26 3.20 0.00 5.66 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 V 8.02 4.03 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 1.00 0.00 0.00 0.99 0.00 0.00 123 T 8.28 3.60 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 0.00 124 A 7.46 4.35 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 0.00 125 H 8.59 4.80 0.00 3.18 2.80 0.00 5.47 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 R 7.90 3.79 0.00 1.60 1.54 0.00 2.95 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.50 0.00 127 I 7.53 3.71 1.52 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.55 0.43 0.00 0.00 128 D 8.01 4.78 0.00 2.41 2.61 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 0.00 0.00 0.00 0.00 129 P 0.00 4.96 0.00 2.34 2.36 0.00 3.85 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.96 0.00 130 G 8.78 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 0.00 0.00 0.00 0.00 131 W 7.96 4.40 0.00 3.30 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 0.00 132 S 6.61 4.43 0.00 3.68 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 0.00 133 G 7.88 4.31 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 0.00 134 C 7.55 4.98 0.00 3.14 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 0.00 135 I 8.43 4.34 1.79 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.76 0.67 0.00 0.00 136 V 8.21 4.06 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 0.60 0.00 0.00 0.97 0.00 0.00 137 L 8.62 4.40 0.00 0.77 0.72 0.68 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 138 A 8.30 4.93 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 0.00 139 F 9.01 5.03 0.00 3.23 2.90 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 0.00 140 Y 8.57 5.18 0.00 3.09 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 0.00 141 N 7.89 4.86 0.00 2.74 2.62 0.00 0.00 6.53 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 0.00 142 S 8.84 4.57 0.00 4.06 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 0.00 143 G 7.96 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 0.00 0.00 0.00 144 K 8.49 4.35 0.00 1.74 1.86 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.38 7.81 145 L 7.47 4.80 0.00 1.55 1.52 0.91 1.02 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 0.00 146 P 0.00 4.57 0.00 1.90 1.77 0.00 3.61 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 2.04 2.20 0.00 147 L 8.55 4.80 0.00 1.49 1.45 0.84 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 148 A 8.67 4.45 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 L 8.71 4.63 0.00 1.58 1.59 0.47 0.46 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 0.00 150 R 8.40 4.90 0.00 1.63 1.80 0.00 3.22 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.53 0.00 151 P 0.00 4.42 0.00 1.99 2.08 0.00 3.75 0.00 0.00 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.27 0.00 152 G 8.70 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *154 L 7.26 4.22 0.00 1.69 1.70 0.93 0.86 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 0.00 155 I 8.14 4.40 1.97 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.03 0.97 0.00 0.00 156 G 7.54 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 0.00 0.00 0.00 0.00 157 A 8.48 5.27 1.19 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 0.00 0.00 0.00 0.00 0.00 158 L 9.25 5.14 0.00 1.36 0.81 0.98 0.66 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 S 8.40 5.05 0.00 3.82 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 0.00 160 F 8.39 5.32 0.00 2.82 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 E 9.16 4.88 0.00 2.20 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 2.28 2.32 0.00 162 P 0.00 4.89 0.00 2.04 2.10 0.00 3.71 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.95 0.00 163 L 8.50 4.64 0.00 1.73 1.65 1.02 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 164 S 8.81 4.24 0.00 4.01 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 0.00 165 G 7.43 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 0.00 166 P 0.00 4.49 0.00 2.22 2.11 0.00 3.81 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 167 A 8.55 4.12 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 V 8.44 3.79 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 0.84 0.00 0.00 0.95 0.00 0.00 169 R 7.53 4.64 0.00 1.81 1.84 0.00 3.28 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 170 P 0.00 4.66 0.00 2.44 2.26 0.00 3.76 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.98 0.00 171 Y 9.22 4.05 0.00 3.28 3.19 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 0.00 0.00 0.00 172 N 7.99 4.35 0.00 2.87 3.24 0.00 0.00 6.77 7.54 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 0.00 173 R 7.47 4.48 0.00 1.78 1.96 0.00 3.17 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.51 0.00 174 R 7.37 3.97 0.00 2.05 1.60 0.00 3.12 0.00 0.00 3.10 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.54 0.00 175 E 8.98 3.84 0.00 1.92 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 0.00 2.25 2.26 0.00 176 D 7.80 4.69 0.00 2.77 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 0.00 177 A 7.30 3.99 0.51 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 0.00 178 K 8.59 4.08 0.00 1.25 0.74 0.00 1.65 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.11 1.27 7.81 179 Y 7.83 5.09 0.00 3.51 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 0.00 180 R 8.19 3.79 0.00 1.74 1.77 0.00 3.23 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.52 0.00 181 N 7.49 3.89 0.00 2.81 2.84 0.00 0.00 7.04 6.96 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 0.00 182 Q 7.44 4.43 0.00 2.43 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.72 6.64 0.00 0.00 0.00 0.00 0.00 2.58 2.46 0.00 183 Q 8.55 4.21 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.47 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 184 G 7.60 4.09 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 0.00 185 A 8.39 4.21 1.13 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 0.00 0.00 186 V 7.47 3.69 2.16 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 1.03 0.00 0.00 1.00 0.00 0.00 187 A 8.34 4.30 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 0.00 188 S 8.62 4.31 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 0.00 189 R 9.03 4.81 0.00 1.65 1.77 0.00 2.92 0.00 0.00 3.01 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.79 0.00 190 I 7.91 3.67 1.94 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.25 0.95 0.00 0.00 191 D 8.23 4.47 0.00 2.85 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 0.00 192 K 7.86 4.46 0.00 1.84 1.81 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.35 7.81 193 D 7.79 4.54 0.00 2.70 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 * Residues marked with a * may have inaccurate shift predictions.