NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4632 8.3349 116.7968 58.1599 65.1506 174.3058 3 K 3.9176 7.8825 119.3929 53.5819 32.3553 174.2711 4 P 4.4945 0.0000 0.0000 61.9222 33.0469 175.2541 5 Q 4.1099 8.6413 119.7889 56.5033 29.1383 174.8515 6 P 4.9399 0.0000 0.0000 62.7330 33.6511 174.8258 7 I 5.0608 8.4260 119.1586 59.4650 41.6312 174.7655 8 A 4.5744 8.8067 127.1190 50.2709 21.2605 174.4638 9 A 5.0729 9.1246 123.8284 50.8190 22.0387 175.0779 10 A 4.8949 8.6552 124.2296 50.1525 21.6401 174.8394 11 N 5.0723 8.8067 120.6125 52.3025 40.9543 174.6834 12 W 5.4695 9.1925 123.4425 55.2250 32.5131 177.0206 13 K 4.5908 8.9033 117.8551 57.1071 35.1691 175.5513 14 C 3.8036 8.2017 114.7491 59.7115 29.3314 173.1489 15 N 4.8249 8.7901 120.8634 52.9375 38.7196 176.4955 16 G 4.3912 7.4034 103.6784 44.8365 0.0000 173.0092 17 S 4.4252 7.7074 113.7061 57.8748 62.9997 175.5580 18 Q 3.2710 9.1800 114.4025 55.5206 27.6133 172.8902 19 Q 5.5035 7.3997 131.1205 57.0970 29.0646 174.9397 20 S 4.0569 7.2775 111.6300 60.5767 62.4010 175.4070 21 L 3.5713 7.5790 120.8830 56.5645 42.0040 178.6317 22 S 4.0957 7.7137 112.7413 61.0598 62.4393 175.8830 23 E 4.0351 8.1122 121.6035 58.9395 28.8631 178.7902 24 L 3.5200 7.0907 119.9961 57.9635 42.0557 179.0551 25 I 3.6703 7.4089 119.4742 64.5609 37.2409 177.7981 26 D 4.3479 7.6929 119.1754 57.6941 40.4817 179.0059 27 L 4.0266 7.2608 120.2065 57.3918 42.1684 178.8900 28 F 4.7815 7.5023 117.3547 60.6810 38.8247 177.5611 29 N 4.3944 8.5311 115.1311 55.4436 38.1479 176.4225 30 S 4.7036 7.8023 113.9912 57.3210 63.3784 173.0898 31 T 4.7280 7.5684 120.3602 62.1042 69.6334 174.1433 32 S 4.5888 8.6265 121.4906 57.0845 64.3858 173.4633 33 I 4.4261 8.2413 125.2615 59.2468 38.1311 174.6771 34 N 4.4577 8.2676 125.5319 55.3794 37.9588 175.8336 35 H 4.3789 10.1844 116.4659 53.9988 29.6813 174.5540 36 D 4.6522 8.4618 120.3156 54.1385 41.2133 175.6056 37 V 4.5455 8.0377 124.3098 60.5605 34.5598 173.0334 38 Q 4.3295 9.0242 125.4174 54.8554 30.6992 173.8774 39 C 4.6362 8.4997 125.1639 58.2450 30.3261 173.0618 40 V 4.5004 8.2799 122.2835 60.9577 34.7114 174.3927 41 V 4.1347 8.5246 120.5352 59.5162 34.4435 174.6742 42 A 5.5325 8.7477 129.3353 48.9764 19.0140 174.2215 43 P 5.1699 0.0000 0.0000 62.1190 33.3583 176.4835 44 S 4.3110 8.2922 114.6066 58.4821 63.5890 175.0350 45 F 4.0084 9.3575 124.3340 61.7018 39.0307 177.4098 46 V 3.8493 7.9143 116.5217 63.2953 31.6707 175.9068 47 H 4.9676 8.5378 117.8231 55.6789 29.7079 175.9528 48 L 4.0155 7.7456 121.8550 57.7229 40.9159 179.2407 49 A 4.1549 7.7980 120.0944 55.6150 18.4482 179.2854 50 M 4.0528 8.0372 116.2143 58.8424 32.2786 178.3390 51 T 3.9410 8.1843 116.0590 66.6963 68.5581 176.5889 52 K 3.9465 7.8891 119.6064 59.0448 32.1487 178.0669 53 E 4.1212 7.6462 118.6993 58.8989 29.8461 177.9854 54 R 4.3607 7.9412 115.3650 55.5266 30.8130 176.0743 55 L 4.4800 7.7182 122.2646 53.8999 42.7052 176.1233 56 S 4.5711 8.9672 118.0988 57.4461 64.8961 173.6791 57 H 3.9513 8.5144 121.9555 56.0771 29.5361 173.5694 58 P 4.4908 0.0000 0.0000 64.5374 31.4087 176.7978 59 K 4.4671 8.3925 117.9258 56.1592 32.6881 174.8488 60 F 5.1176 8.2976 118.3777 55.6703 41.2069 175.3709 61 V 4.5309 8.3051 115.5232 59.5658 35.7462 174.4933 62 I 4.7547 8.3374 123.3669 60.0173 38.8653 174.9706 63 A 5.2861 8.7782 127.4221 50.1445 22.2312 175.4894 64 A 4.7607 8.8731 122.0993 51.4605 20.8388 176.3185 65 Q 4.7080 8.3820 117.9133 55.8528 31.0456 176.8547 66 N 3.9416 8.5625 114.6349 54.6938 35.6360 173.7285 67 A 4.5809 7.3676 123.6296 49.9543 20.5035 178.7789 68 G 3.7710 7.9807 119.6467 43.4961 0.0000 168.5093 69 N 3.8692 8.7834 128.5728 53.1003 39.6581 173.7226 70 A 4.1476 8.7027 128.3778 55.7505 18.9262 178.7179 71 D 4.4073 8.5569 115.0731 57.6569 41.1921 179.7003 72 G 3.5370 9.2341 108.2942 48.2826 0.0000 175.4808 *80 L 4.1490 8.0022 118.8856 54.8180 43.7900 178.4743 81 A 4.1138 8.3776 120.7191 55.6289 18.1105 179.9422 82 S 4.1895 8.2464 112.4501 61.3500 63.1849 176.5020 83 L 4.1541 8.1225 122.6672 57.8543 41.4368 179.5488 84 K 4.2314 8.7701 121.1351 58.8638 31.8799 178.3195 85 D 4.4401 8.2952 117.8382 56.7461 41.2921 177.2166 86 F 4.4808 8.3775 119.3891 58.9864 39.5600 175.2482 87 G 3.9541 7.8287 105.5496 46.1276 0.0000 174.6349 88 V 3.8564 7.9745 120.3968 63.3411 31.9534 175.5342 89 N 4.8034 9.0828 121.6222 52.3801 41.2312 173.5861 90 W 5.3089 8.5338 118.9468 54.9222 32.9262 174.3398 91 I 5.2003 8.8621 122.1391 59.4278 41.6872 173.7151 92 V 4.7255 8.9104 128.4341 61.1749 34.0579 174.1740 93 L 4.4429 9.0453 129.0759 52.6954 43.1295 177.2468 94 G 4.1936 8.1191 115.8115 44.0515 0.0000 172.1496 95 H 4.5162 8.1017 124.2078 58.7435 30.5404 176.2084 96 S 3.9344 7.8595 116.0462 61.5527 62.6293 176.6001 97 E 3.1250 7.7358 121.5906 58.8909 29.3599 179.4207 98 R 4.0064 7.5782 117.5685 58.8463 29.9012 179.1199 99 R 4.0736 8.4681 120.2197 58.8921 29.8576 178.5191 100 A 3.9173 7.1016 118.7248 55.0852 18.4578 178.9103 101 Y 4.3109 7.4967 114.4865 60.4257 38.1781 176.3020 102 Y 4.8284 7.6236 113.4274 57.1486 39.6096 176.5426 103 G 3.8707 8.0123 108.0314 45.6302 0.0000 173.3381 104 E 3.9282 8.2163 120.5248 56.6234 29.9748 176.8823 105 T 4.4286 8.3204 116.2548 61.4497 71.3996 175.4579 106 N 4.3527 8.5820 119.0481 56.3307 38.6485 177.6487 107 E 3.9973 8.1061 119.7820 59.2051 29.5732 179.2715 108 I 3.6912 7.5343 120.3450 64.3530 37.1511 178.8150 109 V 3.5286 7.4513 119.9079 64.5835 31.0496 178.0789 110 A 3.8699 7.8859 121.3547 55.1184 18.1450 179.1632 111 D 4.2977 8.0861 117.2091 57.6244 40.8164 179.4517 112 K 3.8854 8.0185 118.7798 59.2261 31.9392 179.3647 113 V 3.4228 7.9791 118.6490 66.0840 31.3687 177.7240 114 A 3.8713 7.9446 119.9372 55.3682 18.0734 179.5409 115 A 3.9087 8.3154 119.1038 54.9257 18.4013 179.8454 116 A 3.8557 8.2176 119.8130 55.1114 18.4286 179.8572 117 V 3.6589 8.0240 116.9311 66.3301 31.3707 177.9036 118 A 3.9815 7.9000 118.9818 55.3927 18.2491 179.0307 119 S 4.4916 7.6795 110.8405 59.1290 63.1433 175.0721 120 G 3.8073 8.2981 110.4779 45.3571 0.0000 173.3235 121 F 4.7972 7.9306 117.1035 56.0606 40.9887 175.3909 122 M 4.1917 8.3100 121.6059 54.2490 33.3903 175.4284 123 V 4.7025 8.2989 123.0698 61.1053 35.0078 174.2580 124 I 4.7938 8.8456 129.1371 59.9843 38.5104 174.4775 125 A 4.7088 8.8905 131.0353 50.8568 20.5877 175.5468 126 C 5.0104 8.9291 121.9180 58.6828 29.7642 173.2507 127 I 4.8779 8.8779 118.1409 58.7287 40.4933 174.9789 128 G 4.4562 8.3700 112.2858 46.4214 0.0000 171.8218 129 E 5.0426 8.1875 118.8423 54.6809 33.1042 175.0300 130 T 4.6583 9.0364 110.9554 60.5598 70.8332 175.6017 131 L 4.0094 9.0130 123.5491 58.8365 41.8726 179.2288 132 Q 4.0135 8.0924 117.0475 59.1124 28.6527 178.5464 133 E 4.0081 8.2040 119.4541 59.2874 29.3531 179.3896 134 R 4.1877 8.4866 120.5408 59.0049 30.0121 178.1575 135 E 4.0931 8.3906 116.4803 57.9155 29.6899 177.8894 136 S 4.5481 7.7886 112.0055 57.2543 62.6618 173.8052 137 G 3.9965 7.7390 108.2684 47.3764 0.0000 174.2519 138 R 4.6551 8.1101 114.8725 55.5143 30.0288 178.1181 139 T 3.8969 8.2290 115.7336 67.8193 68.4692 175.3548 140 A 3.9596 8.0337 121.7415 55.4580 18.4032 179.7392 141 V 3.5320 7.7087 115.9961 65.9544 31.6994 178.1971 142 V 3.5419 7.9843 118.1037 65.9771 31.5638 177.9253 143 V 3.5663 7.9946 118.1498 66.2984 31.3988 178.0425 144 L 3.6341 7.8880 118.3863 57.8454 41.3552 179.6384 145 T 3.8213 7.9457 115.8073 66.6276 68.4690 176.6859 146 Q 3.9368 7.9275 119.9217 59.0100 28.7096 178.6344 147 I 3.5746 7.4409 119.0970 63.8001 37.8758 177.7975 148 A 3.9721 7.6104 121.5230 54.8875 17.9774 179.4918 149 A 3.9204 7.5378 117.7714 55.3477 18.8010 179.3414 150 I 3.6995 7.5142 117.7044 64.7246 37.1766 178.2367 151 A 4.3732 8.3723 121.3995 55.5264 18.0892 179.7350 152 K 4.0723 8.1425 115.4146 58.4961 32.0770 178.0042 153 K 4.5655 7.6409 116.6088 55.6424 32.6274 175.5313 154 L 4.7132 7.8222 119.0912 52.6731 44.3259 176.7310 155 K 4.4025 9.1948 122.6143 55.4784 33.2279 177.8743 156 K 4.0584 9.0244 121.9020 60.2253 31.7661 178.9009 157 A 4.0791 8.1360 120.0359 55.2191 18.2047 179.0722 158 D 4.4304 8.4726 117.5817 56.8248 40.8194 178.6184 159 W 3.9967 8.1506 119.6171 59.3926 28.7657 177.9060 160 A 4.2499 7.7245 118.2983 53.8926 17.9535 177.8818 161 K 4.3648 8.0570 115.8226 55.9257 33.6673 175.8070 162 V 4.6415 7.5943 120.4139 60.9680 33.9165 175.0860 163 V 4.5483 8.7639 126.2475 61.2563 34.8770 173.9546 164 I 4.8978 8.6894 128.1942 59.7439 39.5361 174.3585 165 A 5.0891 8.8055 128.3615 50.1982 21.6475 174.6227 166 Y 4.7078 9.4492 125.6997 57.3931 39.7504 174.1634 167 E 5.1576 9.0158 128.8625 51.7203 29.6860 172.0232 168 P 3.9211 0.0000 0.0000 61.9788 32.2495 178.3933 169 V 3.4146 8.3116 122.7772 65.6239 31.4871 177.8705 170 W 4.3476 7.8269 114.6095 58.2079 28.0223 176.1123 171 A 4.6720 6.8621 119.9221 51.0921 19.4290 176.5316 172 I 3.8604 7.6329 118.9748 61.2621 37.4361 176.1926 173 G 4.2503 8.7332 113.5360 46.6197 0.0000 173.5074 174 T 4.2965 7.5026 107.7040 60.3868 69.7070 175.6078 175 G 3.9066 8.0863 109.6441 45.8565 0.0000 174.3687 176 K 4.4642 7.4328 122.5423 54.1011 31.3038 175.6745 177 V 4.1214 8.1482 121.9182 61.3407 32.5343 175.4764 178 A 4.6362 8.9238 128.2030 51.8424 19.1392 178.6454 179 T 4.1735 8.3697 112.1735 60.9317 71.0511 173.8939 180 P 4.2116 0.0000 0.0000 65.9386 31.2378 179.0502 181 Q 4.0264 7.9724 116.3914 58.8596 28.7284 178.3398 182 Q 4.0408 8.4336 119.1707 58.7882 28.6933 178.7332 183 A 4.0332 8.0838 121.7154 55.2931 18.4778 179.3086 184 Q 3.8310 8.0600 118.0326 59.2609 29.1844 178.1497 185 E 3.9022 8.3045 120.2018 59.8697 29.6258 179.1165 186 T 3.7755 7.6578 115.2447 66.7858 68.3429 176.6083 187 H 4.0643 8.5208 118.1688 58.7582 28.6951 177.7469 188 A 3.9792 8.2209 122.7049 54.9456 18.3306 179.3492 189 L 3.9218 7.7309 118.5575 58.3538 42.1122 179.2440 190 I 3.6906 7.9365 119.7891 64.5435 37.1312 178.2900 191 R 3.9182 8.2319 119.5180 59.5142 29.8164 178.5947 192 S 4.0385 8.2836 112.9112 61.0054 62.4854 175.6562 193 W 4.0521 8.0526 130.6885 60.5512 30.3180 177.8716 194 V 3.3944 8.2264 118.1779 66.0893 31.1269 178.0673 195 S 3.9722 8.0277 113.8526 61.5336 62.4689 176.7262 196 S 4.0170 7.6245 117.7123 61.2748 62.7089 176.4594 197 K 3.7591 7.5881 119.9436 57.9318 31.7346 177.7431 198 I 3.9899 8.8503 118.4941 61.1887 38.8734 175.9579 199 G 4.2334 6.3691 111.4303 44.1340 0.0000 173.3227 200 A 3.9142 7.9339 123.6156 54.9370 18.5007 180.0920 201 D 4.2306 7.9159 116.9503 57.4244 41.0372 178.9324 202 V 3.5143 7.6636 117.9353 66.0447 31.3409 177.6693 203 A 4.0391 7.7426 119.1666 55.1017 18.2794 179.4355 204 G 3.6661 7.9342 102.5134 46.6308 0.0000 174.6892 205 E 4.3954 7.6405 119.4625 55.9259 30.3303 175.8396 206 L 4.1131 7.2297 121.0861 55.0437 42.8163 176.1008 207 R 4.4745 8.7058 125.3621 55.8874 31.5450 175.3320 208 I 4.8617 9.4382 126.4181 59.7460 39.1888 175.1090 209 L 4.9872 9.3614 128.1942 53.7291 44.1932 175.0845 210 Y 5.2935 8.9366 122.9934 56.1355 41.1447 174.7280 211 G 3.8975 9.0233 113.1480 44.2591 0.0000 170.0289 212 G 2.9689 9.7871 109.4677 45.0226 0.0000 173.6976 213 S 3.5019 8.2013 125.7819 59.0825 60.1493 172.3638 214 V 4.1034 7.8021 119.2636 62.3703 32.3439 174.2574 215 N 5.0539 9.3510 123.4034 50.9261 40.6742 175.0742 216 G 3.8497 9.1994 107.4081 49.0328 0.0000 175.4169 217 K 4.1180 8.2380 118.1553 59.2108 32.3602 178.9057 218 N 4.4758 8.4925 116.2358 55.0962 37.1528 176.7450 219 A 3.5792 7.6453 123.4932 55.2129 18.4571 179.0550 220 R 3.8648 8.0478 116.1490 60.4990 29.8690 178.5907 221 T 4.0970 7.8626 113.2126 66.1968 68.7405 176.5633 222 L 4.1821 7.6095 119.9482 58.1204 41.5747 178.8107 223 Y 4.0734 8.2089 117.9495 60.7389 38.7930 177.8178 224 Q 4.1060 7.7195 116.4395 57.2569 29.1455 176.9339 225 Q 4.1098 7.5041 119.9386 55.4514 29.4535 177.3257 226 R 3.8760 8.6405 121.5873 59.1343 30.2043 177.1618 227 D 4.8330 9.1755 115.9480 53.7643 41.1472 175.6364 228 V 4.4689 7.0898 118.3304 61.4837 32.9484 175.2994 229 N 4.9937 9.4435 124.7933 52.5406 39.7946 173.6797 230 G 3.6726 7.0868 105.4643 44.3638 0.0000 173.1159 231 F 5.5358 8.4369 117.9468 56.0995 44.1842 173.3161 232 L 5.2292 8.9118 123.1800 53.3222 44.4938 175.5089 233 V 4.1639 9.3813 126.0171 61.4221 34.4599 174.2406 234 G 3.8405 9.1556 112.9271 46.0516 0.0000 175.4937 235 G 3.8197 9.0460 106.5549 47.9267 0.0000 174.6442 236 A 4.1724 8.1579 123.0535 54.3028 18.1141 179.1964 237 S 4.3035 8.1791 110.7612 60.3896 62.5442 175.0221 238 L 4.3262 7.8160 119.4380 53.5465 42.2726 175.9771 239 K 4.7216 7.2761 118.7480 53.5348 35.1955 175.2695 240 P 4.7176 0.0000 0.0000 64.4608 31.2752 177.7452 241 E 4.3649 8.2695 117.8354 58.4547 29.3899 178.2999 242 F 4.2927 8.4592 122.8216 61.4904 39.4889 176.8452 243 V 3.5640 8.1211 117.9270 66.1564 31.3396 177.5213 244 D 4.3800 8.1933 117.9999 57.6597 40.4475 178.8461 245 I 3.5838 7.0915 118.6200 64.3871 37.3591 178.2875 246 I 3.6266 7.3676 120.5547 64.2382 36.6923 178.6463 247 K 4.0717 7.9057 117.6346 58.6936 31.9757 178.7822 248 A 4.1353 7.6292 120.1695 53.5628 19.1606 177.5385 249 T 2.6155 7.0863 109.7016 59.2315 68.5922 175.0522 250 Q 4.1612 7.1355 123.1588 57.6869 27.9646 174.1860 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 S 8.33 4.46 0.00 3.87 3.99 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 0.00 0.00 0.00 3 K 7.88 3.92 0.00 1.84 1.76 0.00 1.55 0.00 0.00 1.46 0.00 0.00 3.04 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.38 1.43 7.81 4 P 0.00 4.49 0.00 2.22 2.10 0.00 3.80 0.00 0.00 3.74 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 5 Q 8.64 4.11 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.09 0.00 0.00 0.00 0.00 0.00 2.36 2.61 0.00 6 P 0.00 4.94 0.00 2.09 2.33 0.00 3.88 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 2.09 2.17 0.00 7 I 8.43 5.06 1.89 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.80 0.88 0.00 0.00 8 A 8.81 4.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 A 9.12 5.07 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 10 A 8.66 4.89 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 N 8.81 5.07 0.00 2.75 2.81 0.00 0.00 6.38 7.01 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 12 W 9.19 5.47 0.00 3.27 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 13 K 8.90 4.59 0.00 1.86 1.93 0.00 1.53 0.00 0.00 1.80 0.00 0.00 3.14 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.56 7.81 14 C 8.20 3.80 0.00 3.04 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 15 N 8.79 4.82 0.00 2.74 2.87 0.00 0.00 6.87 7.65 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 16 G 7.40 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 0.00 0.00 0.00 0.00 17 S 7.71 4.43 0.00 3.86 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 18 Q 9.18 3.27 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 7.23 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 19 Q 7.40 5.50 0.00 2.19 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.69 0.00 0.00 0.00 0.00 0.00 2.14 2.08 0.00 20 S 7.28 4.06 0.00 3.83 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 L 7.58 3.57 0.00 1.47 1.39 0.78 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 22 S 7.71 4.10 0.00 3.81 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 23 E 8.11 4.04 0.00 1.97 1.84 0.00 0.00 0.00 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 2.36 0.00 24 L 7.09 3.52 0.00 1.50 1.06 0.36 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 25 I 7.41 3.67 1.99 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.73 0.94 0.00 0.00 26 D 7.69 4.35 0.00 2.80 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 27 L 7.26 4.03 0.00 1.51 1.62 1.05 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 28 F 7.50 4.78 0.00 3.07 2.32 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.53 4.39 0.00 2.79 2.88 0.00 0.00 7.04 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 30 S 7.80 4.70 0.00 4.09 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 31 T 7.57 4.73 4.56 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 1.31 0.00 0.00 32 S 8.63 4.59 0.00 4.00 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 33 I 8.24 4.43 1.94 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 1.51 0.80 0.83 0.00 0.00 34 N 8.27 4.46 0.00 2.84 2.86 0.00 0.00 6.32 7.90 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 35 H 10.18 4.38 0.00 3.29 3.32 0.00 5.55 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 36 D 8.46 4.65 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 37 V 8.04 4.55 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 0.42 0.00 0.00 0.81 0.00 0.00 38 Q 9.02 4.33 0.00 2.23 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.87 0.00 0.00 0.00 0.00 0.00 1.98 1.85 0.00 39 C 8.50 4.64 0.00 1.47 1.32 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.28 4.50 1.74 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 0.79 0.00 0.00 -0.17 0.00 0.00 41 V 8.52 4.13 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 0.36 0.00 0.00 nan 0.00 0.00 42 A 8.75 5.53 1.20 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 43 P 0.00 5.17 0.00 2.34 2.42 0.00 3.95 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 44 S 8.29 4.31 0.00 4.03 4.15 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 45 F 9.36 4.01 0.00 3.14 3.12 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 46 V 7.91 3.85 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 0.64 0.00 0.00 0.93 0.00 0.00 47 H 8.54 4.97 0.00 3.38 3.38 0.00 5.64 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.75 4.02 0.00 1.46 1.60 0.94 1.22 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 49 A 7.80 4.15 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.04 4.05 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.59 0.00 51 T 8.18 3.94 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 1.33 0.00 0.00 52 K 7.89 3.95 0.00 2.04 1.92 0.00 1.35 0.00 0.00 1.29 0.00 0.00 2.79 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.38 1.41 7.81 53 E 7.65 4.12 0.00 2.01 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.48 0.00 54 R 7.94 4.36 0.00 1.85 1.96 0.00 3.36 0.00 0.00 3.14 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.77 0.00 55 L 7.72 4.48 0.00 1.72 1.64 0.85 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 56 S 8.97 4.57 0.00 3.96 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 57 H 8.51 3.95 0.00 3.00 3.14 0.00 5.67 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 58 P 0.00 4.49 0.00 2.25 2.18 0.00 3.62 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 2.03 1.97 0.00 59 K 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0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 108 I 7.53 3.69 2.03 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 1.57 1.00 0.89 0.00 0.00 109 V 7.45 3.53 1.72 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 0.61 0.00 0.00 0.80 0.00 0.00 110 A 7.89 3.87 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 0.00 111 D 8.09 4.30 0.00 2.86 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 0.00 112 K 8.02 3.89 0.00 1.86 1.77 0.00 1.63 0.00 0.00 1.51 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.65 7.81 113 V 7.98 3.42 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 0.89 0.00 0.00 0.84 0.00 0.00 114 A 7.94 3.87 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 0.00 115 A 8.32 3.91 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 0.00 116 A 8.22 3.86 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 0.00 117 V 8.02 3.66 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 1.05 0.00 0.00 0.84 0.00 0.00 118 A 7.90 3.98 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 0.00 119 S 7.68 4.49 0.00 4.44 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 0.00 120 G 8.30 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 0.00 121 F 7.93 4.80 0.00 2.87 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 M 8.31 4.19 0.00 0.51 0.57 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.14 0.00 123 V 8.30 4.70 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 0.83 0.00 0.00 124 I 8.85 4.79 1.97 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.87 0.97 0.00 0.00 125 A 8.89 4.71 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 0.00 126 C 8.93 5.01 0.00 2.89 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 0.00 127 I 8.88 4.88 2.06 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 1.39 1.29 0.92 0.00 0.00 128 G 8.37 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 0.00 0.00 0.00 0.00 129 E 8.19 5.04 0.00 2.28 2.21 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 2.54 2.42 0.00 130 T 9.04 4.66 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 1.24 0.00 0.00 131 L 9.01 4.01 0.00 1.90 1.83 0.97 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 132 Q 8.09 4.01 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.69 0.00 0.00 0.00 0.00 0.00 2.49 2.42 0.00 133 E 8.20 4.01 0.00 2.26 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 2.35 0.00 134 R 8.49 4.19 0.00 2.15 2.12 0.00 3.02 0.00 0.00 3.25 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 1.24 0.00 135 E 8.39 4.09 0.00 1.97 1.95 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 2.24 2.30 0.00 136 S 7.79 4.55 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 0.00 137 G 7.74 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 0.00 138 R 8.11 4.66 0.00 1.96 2.11 0.00 2.80 0.00 0.00 3.18 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 139 T 8.23 3.90 4.30 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 1.40 0.00 0.00 140 A 8.03 3.96 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.71 3.53 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 1.03 0.00 0.00 0.94 0.00 0.00 142 V 7.98 3.54 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 1.02 0.00 0.00 1.15 0.00 0.00 143 V 7.99 3.57 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 0.88 0.00 0.00 1.09 0.00 0.00 144 L 7.89 3.63 0.00 1.72 1.44 0.98 0.35 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 0.00 145 T 7.95 3.82 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 1.20 0.00 0.00 146 Q 7.93 3.94 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.80 0.00 0.00 0.00 0.00 0.00 2.66 2.47 0.00 147 I 7.44 3.57 1.62 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.63 -0.18 0.00 0.00 148 A 7.61 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 A 7.54 3.92 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 0.00 150 I 7.51 3.70 1.96 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.56 0.67 0.00 0.00 151 A 8.37 4.37 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 0.00 0.00 0.00 0.00 0.00 152 K 8.14 4.07 0.00 2.03 1.95 0.00 1.73 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.55 1.61 7.81 153 K 7.64 4.57 0.00 1.80 1.75 0.00 1.61 0.00 0.00 1.88 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.37 7.81 154 L 7.82 4.71 0.00 1.52 1.26 -0.22 0.49 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 0.00 155 K 9.19 4.40 0.00 1.88 1.77 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.53 7.81 156 K 9.02 4.06 0.00 1.86 1.89 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.57 1.53 7.81 157 A 8.14 4.08 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 0.00 158 D 8.47 4.43 0.00 2.67 2.58 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 0.00 0.00 0.00 0.00 159 W 8.15 4.00 0.00 3.51 3.37 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 0.00 160 A 7.72 4.25 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 0.00 161 K 8.06 4.36 0.00 1.60 1.79 0.00 1.56 0.00 0.00 1.52 0.00 0.00 2.75 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.30 1.42 7.81 162 V 7.59 4.64 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 0.54 0.00 0.00 0.60 0.00 0.00 163 V 8.76 4.55 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 1.17 0.00 0.00 1.02 0.00 0.00 164 I 8.69 4.90 1.95 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 1.33 1.21 0.96 0.00 0.00 165 A 8.81 5.09 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 0.00 166 Y 9.45 4.71 0.00 3.02 3.05 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 0.00 167 E 9.02 5.16 0.00 1.67 1.56 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 1.92 1.79 0.00 168 P 0.00 3.92 0.00 0.49 1.95 0.00 3.14 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.34 0.00 169 V 8.31 3.41 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 0.89 0.00 0.00 0.83 0.00 0.00 170 W 7.83 4.35 0.00 3.58 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 0.00 171 A 6.86 4.67 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 I 7.63 3.86 1.82 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.76 0.94 0.00 0.00 173 G 8.73 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 0.00 0.00 0.00 0.00 174 T 7.50 4.30 4.33 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 1.42 0.00 0.00 175 G 8.09 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 0.00 176 K 7.43 4.46 0.00 1.87 1.96 0.00 2.00 0.00 0.00 2.03 0.00 0.00 2.88 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.50 1.59 7.81 177 V 8.15 4.12 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 1.21 0.00 0.00 1.03 0.00 0.00 178 A 8.92 4.64 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 0.00 179 T 8.37 4.17 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 1.26 0.00 0.00 180 P 0.00 4.21 0.00 2.17 2.15 0.00 3.59 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 181 Q 7.97 4.03 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 182 Q 8.43 4.04 0.00 2.43 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 183 A 8.08 4.03 1.11 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 0.00 184 Q 8.06 3.83 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.73 0.00 0.00 0.00 0.00 0.00 2.49 2.40 0.00 185 E 8.30 3.90 0.00 2.26 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 2.30 2.36 0.00 186 T 7.66 3.78 3.59 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 0.45 0.00 0.00 187 H 8.52 4.06 0.00 3.22 3.49 0.00 5.64 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 0.00 188 A 8.22 3.98 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 0.00 189 L 7.73 3.92 0.00 1.90 1.88 0.93 0.74 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 0.00 190 I 7.94 3.69 1.99 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 1.33 0.54 0.96 0.00 0.00 191 R 8.23 3.92 0.00 2.00 1.95 0.00 3.14 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 192 S 8.28 4.04 0.00 3.95 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 193 W 8.05 4.05 0.00 3.58 3.37 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 0.00 194 V 8.23 3.39 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 0.51 0.00 0.00 1.19 0.00 0.00 195 S 8.03 3.97 0.00 4.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 S 7.62 4.02 0.00 3.71 3.76 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 0.00 197 K 7.59 3.76 0.00 0.79 1.01 0.00 1.41 0.00 0.00 1.42 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.58 0.72 7.81 198 I 8.85 3.99 1.33 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 -0.31 0.35 0.00 0.00 199 G 6.37 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 0.00 0.00 0.00 200 A 7.93 3.91 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 0.00 201 D 7.92 4.23 0.00 2.74 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 0.00 202 V 7.66 3.51 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.85 0.00 0.00 203 A 7.74 4.04 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 0.00 204 G 7.93 3.67 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 0.00 205 E 7.64 4.40 0.00 2.18 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 2.29 2.37 0.00 206 L 7.23 4.11 0.00 1.86 1.76 1.18 1.28 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 0.00 207 R 8.71 4.47 0.00 1.94 1.92 0.00 3.33 0.00 0.00 3.57 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.79 0.00 208 I 9.44 4.86 1.89 0.00 0.00 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 1.27 0.76 0.70 0.00 0.00 209 L 9.36 4.99 0.00 1.61 1.62 0.98 0.75 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 0.00 210 Y 8.94 5.29 0.00 3.30 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 0.00 211 G 9.02 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 0.00 0.00 0.00 212 G 9.79 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 0.00 0.00 0.00 213 S 8.20 3.50 0.00 4.10 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 0.00 214 V 7.80 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 0.43 0.00 0.00 1.04 0.00 0.00 215 N 9.35 5.05 0.00 3.23 2.89 0.00 0.00 6.59 6.73 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 0.00 216 G 9.20 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217 K 8.24 4.12 0.00 1.91 1.88 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.43 7.81 218 N 8.49 4.48 0.00 3.01 3.08 0.00 0.00 6.96 7.29 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 0.00 219 A 7.65 3.58 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 220 R 8.05 3.86 0.00 1.91 2.00 0.00 3.20 0.00 0.00 3.36 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.83 0.00 221 T 7.86 4.10 4.27 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 1.23 0.00 0.00 222 L 7.61 4.18 0.00 2.26 2.08 0.93 0.53 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 0.00 223 Y 8.21 4.07 0.00 3.28 3.24 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 0.00 224 Q 7.72 4.11 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.64 0.00 0.00 0.00 0.00 0.00 2.48 2.75 0.00 225 Q 7.50 4.11 0.00 2.15 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.59 0.00 226 R 8.64 3.88 0.00 1.72 2.04 0.00 3.18 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 227 D 9.18 4.83 0.00 2.74 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 0.00 228 V 7.09 4.47 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 0.73 0.00 0.00 0.75 0.00 0.00 229 N 9.44 4.99 0.00 2.86 2.79 0.00 0.00 6.59 7.83 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 0.00 230 G 7.09 3.67 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 0.00 231 F 8.44 5.54 0.00 2.98 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 0.00 232 L 8.91 5.23 0.00 1.75 1.43 0.96 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 233 V 9.38 4.16 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 1.10 0.00 0.00 1.10 0.00 0.00 234 G 9.16 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 235 G 9.05 3.82 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 0.00 0.00 0.00 236 A 8.16 4.17 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 237 S 8.18 4.30 0.00 3.91 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 238 L 7.82 4.33 0.00 1.77 1.52 0.19 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 239 K 7.28 4.72 0.00 1.99 1.71 0.00 1.90 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.34 1.35 7.81 240 P 0.00 4.72 0.00 2.33 2.32 0.00 3.73 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.02 0.00 241 E 8.27 4.36 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 2.46 2.47 0.00 242 F 8.46 4.29 0.00 3.50 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 243 V 8.12 3.56 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 1.05 0.00 0.00 1.28 0.00 0.00 244 D 8.19 4.38 0.00 2.92 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 0.00 245 I 7.09 3.58 1.69 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 0.62 0.78 0.00 0.00 246 I 7.37 3.63 1.79 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 -0.10 0.76 0.00 0.00 247 K 7.91 4.07 0.00 1.68 1.83 0.00 1.55 0.00 0.00 1.88 0.00 0.00 3.14 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.49 7.81 248 A 7.63 4.14 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 0.00 249 T 7.09 2.62 3.55 0.00 0.00 0.00 0.00 0.00 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 0.00 250 Q 7.14 4.16 0.00 2.01 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.06 2.18 0.00 * Residues marked with a * may have inaccurate shift predictions.