NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 R 4.2020 8.1085 120.8503 56.4207 32.0268 177.4954 17 A 4.3130 7.7317 120.3966 53.8695 18.0141 178.0715 18 I 3.6938 8.4245 119.8213 64.5365 37.7314 176.7207 19 L 3.9459 7.7265 119.3127 57.4078 40.9996 179.1215 20 D 4.2741 8.4713 119.3162 57.3206 40.8480 178.4790 21 A 3.9605 8.2263 121.3708 55.0452 18.3762 179.2758 22 A 3.7999 8.0714 119.3157 55.7126 17.9268 179.5792 23 M 3.8432 7.8858 116.9149 58.4953 31.8278 178.8907 24 L 3.8495 7.4075 118.4118 58.0639 42.6394 178.9672 25 V 3.5877 8.0917 118.3806 66.1299 31.3862 178.1400 26 L 3.9230 7.9902 117.0892 57.2140 41.3008 178.3220 27 A 3.8927 7.1350 120.7391 54.4816 18.3899 177.8970 28 D 4.7665 7.7574 112.7717 54.7678 42.9814 176.2707 29 H 4.9223 7.8191 116.5777 52.5348 28.9341 172.0514 30 P 4.2049 0.0000 0.0000 65.0152 31.6237 178.2379 31 T 4.4633 7.7417 106.8533 60.9950 68.9740 174.4603 32 A 4.0388 7.6742 124.5412 52.7791 19.1048 177.9391 33 A 4.5567 8.1873 122.7836 50.8385 20.6030 178.5327 34 L 4.0687 8.6922 119.9833 58.2650 41.5306 180.4990 35 G 3.6735 8.0908 104.9195 47.7816 0.0000 175.4190 36 D 4.4108 8.2264 121.2369 57.2175 40.8027 178.9025 37 I 3.6982 7.7037 119.7609 64.0863 37.1961 178.0502 38 A 3.9542 8.1284 121.4368 55.1374 17.7214 179.4200 39 A 3.9251 8.0053 118.9929 55.4824 18.2729 179.8196 40 A 3.9923 7.7719 117.0699 54.7345 18.4703 179.1529 41 A 4.2110 7.7908 118.7022 52.5303 18.9838 177.7639 42 G 3.7651 7.9856 103.9321 46.6806 0.0000 173.3613 43 V 4.5379 7.6249 110.8563 58.2302 35.7430 176.4659 44 G 3.9867 8.4366 109.7431 44.9457 0.0000 175.7884 45 R 4.1263 8.6248 124.2086 61.3047 29.1224 179.6647 46 S 4.4016 8.0063 112.9654 62.1270 63.3072 176.3450 47 T 4.1740 7.8103 117.9619 66.6116 68.2499 176.6379 48 V 3.7858 7.8916 120.0402 66.5567 31.7578 177.6373 49 H 4.5199 8.3127 118.1741 57.9029 28.2205 178.2310 50 R 4.0165 7.6894 122.2152 60.8174 29.6421 183.1516 51 Y 4.4261 7.9277 115.2750 58.4412 39.1025 175.3388 52 Y 4.7677 8.6093 117.9003 54.8003 38.6469 173.7896 53 P 5.0304 0.0000 0.0000 64.5287 32.1814 177.3861 54 E 4.8530 8.5513 112.9418 52.9731 33.6428 180.0282 55 R 3.9517 8.7733 121.1023 59.8653 29.9817 179.1272 56 T 3.9703 7.9328 108.8429 64.5673 68.7429 176.1945 57 D 4.4004 8.3245 122.3537 57.2054 40.8383 178.3779 58 L 3.0901 7.8331 120.2595 57.8865 42.0851 178.5713 59 L 3.9755 7.8231 118.9678 57.8534 41.5470 179.3513 60 R 3.8592 8.0360 118.1820 59.6399 30.0572 178.3786 61 A 4.0588 7.8824 119.8433 55.0300 18.3849 179.3132 62 L 3.8763 8.1539 118.7456 58.2599 42.1006 179.0831 63 A 4.0512 8.2548 120.8220 55.1579 18.3298 179.7281 64 R 3.8996 7.9884 116.5422 59.6964 30.2163 178.7725 65 H 4.1976 8.1860 117.7759 59.4323 29.8547 177.4790 66 V 3.5406 8.2714 120.4312 66.3046 31.2689 177.6951 67 H 4.1570 8.5910 116.3318 58.7900 28.4567 177.4876 68 D 4.3818 8.2319 120.7631 57.3846 40.6943 178.8406 69 L 3.9600 7.9471 119.3917 57.8199 41.6163 179.5668 70 S 4.1661 8.3439 113.2665 61.4835 62.3655 175.9545 71 N 4.3640 8.4619 119.0682 56.3382 38.2955 177.2834 72 A 4.0130 8.2970 122.0466 55.0054 18.4599 179.5863 73 A 3.9629 8.1914 119.3428 55.3710 18.2601 179.9913 74 I 3.7286 7.7461 119.6978 65.1688 37.4870 178.8504 75 E 4.1482 8.3311 119.1784 61.2553 29.3162 181.2167 76 R 4.1571 8.0280 117.9470 58.9621 30.1996 178.7183 77 A 4.1059 7.8433 119.1925 52.2431 19.8654 176.8043 78 D 4.2374 7.8469 114.3020 54.7269 39.4426 172.1851 79 P 4.3750 0.0000 0.0000 64.3088 31.9601 177.4352 80 T 4.2990 7.7583 106.6388 61.4092 69.3728 174.1664 81 S 4.5223 7.8627 117.6806 57.7065 63.8891 175.5036 82 G 3.9440 8.5434 115.9447 44.4611 0.0000 171.4975 83 P 4.3041 0.0000 0.0000 62.7324 32.9220 177.6068 84 V 3.5984 8.3932 120.9768 65.9110 31.5597 177.8405 85 D 4.2650 8.0780 117.2052 57.4440 41.1610 178.0528 86 A 3.9965 7.9858 120.4454 54.9686 18.3979 179.3349 87 A 3.9041 7.9294 119.3925 55.2265 18.4169 179.6705 88 L 3.8982 8.2593 117.9942 58.0663 41.6456 179.8021 89 R 3.8739 7.9107 118.2686 59.4732 29.9964 178.7314 90 R 3.9038 7.9567 117.8544 59.1484 30.1604 179.1342 91 V 3.5485 7.8628 117.9230 66.0392 31.4849 178.0103 92 V 3.5648 8.0996 118.2894 66.1168 31.2723 177.5672 93 E 3.9060 8.5204 119.4411 59.3561 29.2968 178.9562 94 S 4.1702 8.0468 113.1324 61.4820 63.1676 176.1599 95 Q 4.3144 8.1477 121.4846 58.4880 28.5116 177.9457 96 L 4.0153 8.2153 121.7254 58.5020 41.9032 178.8718 97 D 4.5256 8.2116 117.2492 56.8864 40.7975 178.3638 98 L 4.1932 7.5694 119.4222 55.0165 42.0710 177.9600 99 G 3.8968 7.9749 104.5653 44.4006 0.0000 172.3256 100 P 3.0606 0.0000 0.0000 64.4108 31.0277 178.6399 101 I 3.6432 7.4872 117.4672 63.8626 37.4983 177.5899 102 V 3.5133 7.3037 118.5629 65.9364 31.5748 177.7163 103 L 4.0500 7.5657 118.0997 57.3913 41.5291 178.5185 104 F 4.0608 8.0962 120.7736 61.8511 39.0466 177.8305 105 V 3.5572 7.7174 109.2773 63.3164 31.4690 176.8605 106 Y 4.4583 7.7416 117.3283 57.8860 39.0225 175.0272 107 Y 4.0467 7.5906 114.7398 58.9021 40.5560 175.6680 108 E 3.7160 7.5213 120.6059 55.7141 29.8841 174.4884 109 P 4.2639 0.0000 0.0000 66.0072 31.1512 177.3017 110 S 3.9040 8.0622 112.0626 60.6908 62.2377 173.7081 *125 D 4.3918 7.9913 120.4872 54.4480 42.0363 176.0315 126 E 4.1525 8.8158 125.4937 61.1064 29.9004 175.8879 127 A 4.2027 8.1917 121.1737 55.2804 18.4054 179.6445 128 I 3.4972 8.0740 120.7536 65.0968 37.1149 179.6758 129 V 3.7644 7.8658 122.6103 66.0277 31.1191 181.4165 130 E 4.1612 7.8228 116.1682 61.5992 29.9747 183.7850 131 V 3.9038 7.5351 118.8166 64.0347 31.3687 177.8155 132 L 4.1814 7.7518 121.6130 56.1702 42.1109 177.2745 133 N 4.7541 7.5540 117.1888 51.0301 39.4378 178.1960 *141 E 4.1569 8.3594 116.9164 55.3881 30.1539 173.2026 142 Y 4.9735 7.9233 121.3747 54.5034 41.0851 174.5557 143 P 4.4635 0.0000 0.0000 61.9478 32.1472 174.1676 144 P 4.5154 0.0000 0.0000 64.2665 31.8220 177.3625 145 G 4.1128 9.0870 110.5862 45.9028 0.0000 175.2676 146 W 4.2077 8.3552 129.4270 60.4864 30.5797 177.6172 147 A 3.7115 8.0891 120.5283 55.0682 17.8664 179.6557 148 R 3.8507 7.8986 114.1540 59.4216 29.6968 179.0453 149 R 4.0256 7.9484 118.8425 59.0667 29.9988 179.2196 150 V 3.2221 7.3963 118.2398 65.5145 31.4656 177.6350 151 F 3.7794 8.1057 120.6092 61.3336 39.0665 177.3322 152 W 4.2613 8.2458 117.8559 59.2609 28.7943 178.5272 153 A 4.0120 8.1631 121.1687 55.2443 17.8302 179.7196 154 L 3.8197 7.7793 117.4408 57.9046 41.5416 179.6299 155 M 3.4919 7.5385 118.7176 58.0595 31.8180 178.3566 156 Q 4.1174 8.2509 119.5822 59.3446 29.2386 178.2431 157 A 4.0585 8.0604 121.7282 55.2091 18.3757 179.8171 158 G 3.3673 7.8776 103.9972 48.1890 0.0000 175.5199 159 Y 4.3428 7.9294 119.8032 60.8429 37.8785 178.6724 160 E 4.0053 8.3743 119.4116 59.3102 29.5956 179.2253 161 A 3.9962 8.2145 120.6925 54.8469 18.4114 179.4734 162 A 3.9290 8.0960 119.3144 55.4892 18.3120 179.9600 163 K 3.8946 7.8095 115.4573 59.6299 32.1866 178.4778 164 D 4.5286 7.6667 116.0755 54.8037 41.3633 176.7311 165 G 4.0519 7.8876 105.7831 45.4880 0.0000 173.8408 166 M 4.0707 7.8110 120.2505 54.6897 32.9457 174.8492 167 P 4.4030 0.0000 0.0000 62.2585 33.5212 177.4974 168 R 3.8673 8.5295 121.4911 59.9586 30.1783 178.7236 169 H 4.1889 8.1826 114.4618 58.6649 28.4700 177.1662 170 Q 3.7824 7.4810 121.7075 58.8389 28.9462 178.0240 171 I 3.5942 7.6535 120.7993 64.3766 37.1765 178.4713 172 V 3.5019 7.7960 118.9550 66.0874 31.3278 177.6336 173 D 4.3192 8.1635 118.2523 57.4788 40.7272 178.7796 174 A 3.9814 8.0779 121.1162 55.1406 18.2793 179.8037 175 I 3.5559 7.8194 118.3340 64.6158 37.2299 178.5200 176 M 4.0007 7.9487 119.4624 58.8965 31.7859 179.0663 177 T 3.9120 7.9227 115.7143 66.6093 68.5411 177.0472 178 S 4.2578 8.1603 117.1791 61.5925 62.6259 176.6834 179 L 3.9804 7.8403 120.7104 58.1268 41.4102 179.4278 180 T 4.2435 7.6968 114.8296 65.7542 68.5574 175.8389 181 S 4.4767 7.8946 110.6966 57.1747 64.6060 174.9858 182 G 3.9398 8.3040 111.3832 45.2594 0.0000 173.1870 183 I 4.3787 8.2325 109.5520 60.3532 39.0834 174.9601 184 I 4.7577 7.5265 113.0780 59.1202 40.7022 174.1417 185 T 4.5168 8.3310 110.1580 60.9464 70.9502 174.0632 186 L 4.0746 8.6542 123.2502 55.1158 41.0542 174.1292 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 16 R 8.11 4.20 0.00 1.82 1.95 0.00 3.13 0.00 0.00 3.31 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.59 0.00 17 A 7.73 4.31 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 18 I 8.42 3.69 1.91 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 1.64 0.55 0.94 0.00 0.00 19 L 7.73 3.95 0.00 1.80 1.67 0.93 0.99 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 20 D 8.47 4.27 0.00 2.71 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 21 A 8.23 3.96 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 22 A 8.07 3.80 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 23 M 7.89 3.84 0.00 2.03 2.24 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.54 0.00 24 L 7.41 3.85 0.00 1.60 1.80 0.86 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 25 V 8.09 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 0.91 0.00 0.00 0.92 0.00 0.00 26 L 7.99 3.92 0.00 1.14 0.51 0.77 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 27 A 7.14 3.89 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 28 D 7.76 4.77 0.00 2.43 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 29 H 7.82 4.92 0.00 3.09 3.11 0.00 5.64 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 30 P 0.00 4.20 0.00 2.38 2.36 0.00 3.82 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 2.04 2.01 0.00 31 T 7.74 4.46 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 1.26 0.00 0.00 32 A 7.67 4.04 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 33 A 8.19 4.56 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.69 4.07 0.00 1.72 1.72 0.80 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.09 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 36 D 8.23 4.41 0.00 2.89 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 37 I 7.70 3.70 1.98 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 1.50 0.78 0.85 0.00 0.00 38 A 8.13 3.95 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.01 3.93 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 40 A 7.77 3.99 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 41 A 7.79 4.21 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 42 G 7.99 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 43 V 7.62 4.54 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 0.70 0.00 0.00 1.01 0.00 0.00 44 G 8.44 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 0.00 0.00 0.00 45 R 8.62 4.13 0.00 1.83 1.97 0.00 3.26 0.00 0.00 3.34 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.30 0.00 46 S 8.01 4.40 0.00 3.87 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 7.81 4.17 4.49 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 1.41 0.00 0.00 48 V 7.89 3.79 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 1.12 0.00 0.00 1.00 0.00 0.00 49 H 8.31 4.52 0.00 3.46 3.37 0.00 5.86 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 7.69 4.02 0.00 1.95 1.83 0.00 3.26 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 51 Y 7.93 4.43 0.00 2.63 2.50 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 52 Y 8.61 4.77 0.00 2.95 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 53 P 0.00 5.03 0.00 2.07 2.14 0.00 3.96 0.00 0.00 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 54 E 8.55 4.85 0.00 1.85 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 0.00 2.12 2.07 0.00 55 R 8.77 3.95 0.00 1.88 1.99 0.00 3.17 0.00 0.00 3.42 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 56 T 7.93 3.97 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 57 D 8.32 4.40 0.00 3.07 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 58 L 7.83 3.09 0.00 1.36 1.64 -0.09 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 59 L 7.82 3.98 0.00 1.94 1.72 1.06 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 60 R 8.04 3.86 0.00 1.92 2.23 0.00 3.13 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 61 A 7.88 4.06 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.15 3.88 0.00 1.80 1.86 0.91 1.16 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 63 A 8.25 4.05 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 64 R 7.99 3.90 0.00 2.11 2.04 0.00 3.18 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.83 0.00 65 H 8.19 4.20 0.00 3.27 3.48 0.00 5.78 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 8.27 3.54 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 1.00 0.00 0.00 0.96 0.00 0.00 67 H 8.59 4.16 0.00 3.39 3.33 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 D 8.23 4.38 0.00 2.93 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 69 L 7.95 3.96 0.00 1.81 1.69 0.79 0.59 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 70 S 8.34 4.17 0.00 3.91 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 71 N 8.46 4.36 0.00 3.04 2.88 0.00 0.00 6.94 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 A 8.30 4.01 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 73 A 8.19 3.96 1.46 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 74 I 7.75 3.73 2.01 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.76 0.93 0.00 0.00 75 E 8.33 4.15 0.00 1.98 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 0.00 2.24 2.22 0.00 76 R 8.03 4.16 0.00 2.02 2.03 0.00 3.14 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 77 A 7.84 4.11 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 78 D 7.85 4.24 0.00 2.88 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 79 P 0.00 4.37 0.00 2.04 2.03 0.00 3.70 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 1.98 2.03 0.00 80 T 7.76 4.30 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 81 S 7.86 4.52 0.00 4.12 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 G 8.54 3.94 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 0.00 0.00 0.00 83 P 0.00 4.30 0.00 2.16 1.99 0.00 3.60 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 2.11 2.14 0.00 84 V 8.39 3.60 2.07 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 1.06 0.00 0.00 0.92 0.00 0.00 85 D 8.08 4.27 0.00 2.82 2.64 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 86 A 7.99 4.00 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 87 A 7.93 3.90 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 88 L 8.26 3.90 0.00 1.93 1.74 0.91 0.67 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 89 R 7.91 3.87 0.00 1.90 2.09 0.00 3.09 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 90 R 7.96 3.90 0.00 2.06 1.96 0.00 3.18 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 91 V 7.86 3.55 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 0.88 0.00 0.00 0.93 0.00 0.00 92 V 8.10 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 0.89 0.00 0.00 1.00 0.00 0.00 93 E 8.52 3.91 0.00 2.32 1.93 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 2.31 2.31 0.00 94 S 8.05 4.17 0.00 4.10 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 95 Q 8.15 4.31 0.00 2.19 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.81 0.00 0.00 0.00 0.00 0.00 2.70 2.68 0.00 96 L 8.22 4.02 0.00 1.77 1.83 0.70 1.46 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 97 D 8.21 4.53 0.00 2.73 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 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Y 7.74 4.46 0.00 2.70 2.99 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 0.00 107 Y 7.59 4.05 0.00 2.93 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 0.00 108 E 7.52 3.72 0.00 1.36 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 2.07 2.24 0.00 109 P 0.00 4.26 0.00 2.16 2.14 0.00 3.76 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.94 0.00 110 S 8.06 3.90 0.00 3.81 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 *125 D 7.99 4.39 0.00 2.77 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 E 8.82 4.15 0.00 2.01 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 2.31 1.94 0.00 127 A 8.19 4.20 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 0.00 128 I 8.07 3.50 1.87 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.89 0.33 0.00 0.00 129 V 7.87 3.76 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.93 0.00 0.00 130 E 7.82 4.16 0.00 2.06 1.89 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 2.23 1.93 0.00 131 V 7.54 3.90 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 0.79 0.00 0.00 0.87 0.00 0.00 132 L 7.75 4.18 0.00 1.79 1.72 0.79 0.87 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 0.00 133 N 7.55 4.75 0.00 2.74 2.57 0.00 0.00 6.91 6.94 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 *141 E 8.36 4.16 0.00 2.01 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.91 0.00 142 Y 7.92 4.97 0.00 3.08 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 P 0.00 4.46 0.00 2.27 2.01 0.00 3.75 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.07 0.00 144 P 0.00 4.52 0.00 2.10 2.06 0.00 3.78 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 2.07 2.14 0.00 145 G 9.09 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 0.00 146 W 8.36 4.21 0.00 3.53 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 0.00 147 A 8.09 3.71 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 0.00 148 R 7.90 3.85 0.00 2.15 2.23 0.00 3.12 0.00 0.00 3.49 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.95 0.00 149 R 7.95 4.03 0.00 1.49 1.65 0.00 3.32 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.86 0.00 150 V 7.40 3.22 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 0.82 0.00 0.00 0.09 0.00 0.00 151 F 8.11 3.78 0.00 2.89 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 0.00 152 W 8.25 4.26 0.00 3.63 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 0.00 153 A 8.16 4.01 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 0.00 154 L 7.78 3.82 0.00 1.48 1.47 0.78 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 0.00 155 M 7.54 3.49 0.00 1.78 2.20 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.30 0.00 156 Q 8.25 4.12 0.00 2.15 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 157 A 8.06 4.06 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 0.00 158 G 7.88 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 0.00 0.00 0.00 159 Y 7.93 4.34 0.00 3.11 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 0.00 160 E 8.37 4.01 0.00 2.17 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 2.50 2.49 0.00 161 A 8.21 4.00 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 0.00 162 A 8.10 3.93 1.44 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 0.00 0.00 163 K 7.81 3.89 0.00 1.97 1.90 0.00 1.70 0.00 0.00 1.80 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.60 7.81 164 D 7.67 4.53 0.00 2.82 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 0.00 165 G 7.89 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 0.00 166 M 7.81 4.07 0.00 2.04 1.96 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.46 0.00 167 P 0.00 4.40 0.00 2.09 1.96 0.00 3.60 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 2.09 2.13 0.00 168 R 8.53 3.87 0.00 1.88 1.94 0.00 3.19 0.00 0.00 3.40 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 169 H 8.18 4.19 0.00 3.44 3.55 0.00 5.71 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 Q 7.48 3.78 0.00 1.86 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.94 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 171 I 7.65 3.59 1.95 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.60 0.79 0.00 0.00 172 V 7.80 3.50 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 1.00 0.00 0.00 0.96 0.00 0.00 173 D 8.16 4.32 0.00 2.90 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 0.00 174 A 8.08 3.98 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 0.00 175 I 7.82 3.56 1.85 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.54 0.66 0.00 0.00 176 M 7.95 4.00 0.00 2.02 2.21 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.82 0.00 177 T 7.92 3.91 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 1.20 0.00 0.00 178 S 8.16 4.26 0.00 3.95 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 L 7.84 3.98 0.00 1.78 1.73 0.94 0.84 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 0.00 180 T 7.70 4.24 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 1.22 0.00 0.00 181 S 7.89 4.48 0.00 3.91 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 0.00 182 G 8.30 3.94 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 0.00 0.00 0.00 183 I 8.23 4.38 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.78 0.90 0.00 0.00 184 I 7.53 4.76 1.89 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 1.50 0.75 0.93 0.00 0.00 185 T 8.33 4.52 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 186 L 8.65 4.07 0.00 1.80 1.91 0.93 0.85 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 * Residues marked with a * may have inaccurate shift predictions.