NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7638 8.1633 120.6385 55.4281 34.2878 173.7043 2 W 5.2116 9.3058 121.8921 53.0455 32.9054 169.8986 3 V 4.7571 9.7020 122.2573 60.1071 34.6267 173.3631 4 Y 4.2101 9.5702 126.5954 55.9135 40.3783 174.1350 5 R 4.5810 8.1699 126.8999 54.3400 32.4569 175.4223 6 L 4.8583 8.5563 123.7589 52.3384 45.5160 176.1481 7 K 4.2209 8.5151 123.4152 56.7310 32.4430 176.1702 8 G 4.0871 8.2148 111.5882 43.8775 0.0000 174.1072 9 T 4.2670 8.2399 110.6943 60.7421 71.0322 175.6311 10 L 3.9653 8.7210 122.4355 57.9731 41.7563 179.3465 11 E 4.0613 8.1656 118.4611 59.2376 29.4728 178.6125 12 A 4.1254 7.6814 119.2523 54.9029 18.7470 178.6616 13 L 4.3683 7.9970 115.8659 54.8023 41.2565 178.0484 14 D 4.4043 7.6083 120.0353 57.5108 40.8384 177.3537 15 P 4.3419 0.0000 0.0000 64.6677 31.5467 177.6679 16 I 4.0540 7.6809 110.6986 61.4954 37.8603 177.8027 17 L 3.9440 7.5013 121.3089 57.6062 41.4476 177.4333 18 P 4.5871 0.0000 0.0000 65.5329 31.1183 178.8869 19 G 4.2159 8.0339 105.5680 47.1953 0.0000 175.7043 20 L 4.2512 7.7571 121.4116 57.8097 41.5043 179.5336 21 F 4.1477 7.9979 117.7272 60.4175 38.6517 177.2925 22 D 4.6736 8.5855 117.5355 56.1147 40.7763 177.8307 23 G 4.2012 7.6057 104.9296 43.9402 0.0000 174.0720 24 G 4.2717 7.5117 110.5951 45.4703 0.0000 173.9761 25 A 3.0274 7.5220 123.0775 51.6194 18.4523 178.8668 26 R 4.4414 8.6648 121.3274 55.6767 31.3958 176.7133 27 G 4.3890 6.7960 106.5171 46.1257 0.0000 171.9173 28 L 5.6008 8.7785 120.4200 52.6362 45.1552 175.9691 29 W 5.3984 9.2069 131.1501 56.0374 34.4142 173.1895 30 E 4.8080 9.3442 128.5894 55.1206 29.9851 175.5848 31 R 3.8271 8.7307 127.4346 54.5117 31.9219 174.7864 32 E 3.7330 9.4774 118.7269 58.0144 28.0631 174.8879 33 G 3.9602 7.7508 112.1544 46.5139 0.0000 170.2355 34 E 5.0473 7.7522 118.2024 54.5526 33.8993 173.5737 35 V 4.6716 9.0040 127.0401 61.3587 33.7949 174.3909 36 W 4.9932 9.4976 128.3258 55.1116 30.9171 174.4590 37 A 5.2068 9.0878 128.1982 50.2710 20.9754 175.1897 38 F 5.3477 8.9459 122.0168 56.2316 40.9148 175.1793 39 F 5.1795 9.7760 122.6668 54.9716 42.2178 174.5148 40 P 4.3205 0.0000 0.0000 65.8877 31.4018 176.2613 41 A 4.3047 7.5169 116.6462 49.8811 21.7922 173.8920 42 P 2.0000 0.0000 0.0000 61.7803 31.4979 176.6239 43 V 4.1492 6.6780 114.5928 58.7996 34.8133 174.7517 44 D 4.4486 8.3167 121.1563 54.1007 41.3407 175.5179 45 L 4.6203 8.1038 125.9046 52.3614 45.1281 174.5224 46 P 4.4200 0.0000 0.0000 63.4591 31.6146 176.4174 47 Y 4.5471 7.4771 116.5587 58.7157 38.3402 176.2303 48 E 3.7464 8.5316 118.0599 56.9863 26.5406 174.7781 49 G 3.2289 7.8401 108.7343 44.1939 0.0000 173.3235 50 V 4.3940 7.0668 117.3972 60.7661 35.1125 175.0415 51 W 5.5101 8.8003 125.8411 55.3248 31.2116 175.2717 52 E 4.8592 9.5376 122.6132 54.6887 33.7910 174.2775 53 E 3.1001 7.8641 124.0521 55.5264 30.4508 176.1703 54 V 4.1993 8.3819 120.1323 60.2876 33.2346 176.0234 55 G 3.9482 8.6477 113.5426 44.8155 0.0000 173.6037 56 D 4.5536 8.6626 125.2867 56.6275 41.6659 178.5397 57 E 3.7625 8.3369 118.0098 59.5992 29.8166 177.9739 58 D 4.5420 8.3046 118.0907 57.1331 41.1585 178.8972 59 W 4.3515 8.1934 117.8994 59.1186 28.6803 176.2622 60 L 4.4072 6.8344 119.4685 53.8750 40.0784 180.4590 61 E 3.6991 9.1276 119.9346 55.5999 27.0190 175.1009 62 A 4.1187 9.0580 125.3841 54.3427 18.5234 179.0914 63 W 4.3508 8.6458 127.0673 60.7079 30.8614 178.5681 64 R 3.2859 7.8895 117.8535 58.8791 29.2463 178.8822 65 R 3.8929 7.0310 111.7285 59.0926 29.2226 177.7967 66 D 4.6356 7.3786 117.2487 54.1943 41.7507 177.0172 67 L 4.2153 7.3374 119.8507 54.6875 42.2076 176.5821 68 K 4.6685 8.1543 120.4577 53.4985 36.0308 174.2759 69 P 4.3696 0.0000 0.0000 63.3801 32.2334 175.5879 70 A 4.6213 8.6363 124.5122 49.7334 21.6156 175.5514 71 L 4.2163 8.6165 122.9117 54.9289 42.4950 178.3911 72 A 4.6670 8.9418 125.9476 49.3640 19.5025 173.2273 73 P 4.4840 0.0000 0.0000 62.1817 32.4816 175.0220 74 P 4.4597 0.0000 0.0000 63.5086 32.3276 175.4491 75 F 5.4451 8.5398 120.4187 56.0946 42.5224 174.6950 76 V 4.6441 8.2790 119.2921 59.9132 34.1613 174.6498 77 V 4.4689 8.6588 124.9131 61.6018 33.0639 174.4866 78 L 4.9422 8.4433 127.0155 52.6252 45.2760 176.2720 79 A 4.1519 7.8705 124.3678 50.0425 19.0778 176.7079 80 P 4.0800 0.0000 0.0000 65.2503 31.4382 177.8425 81 W 4.4877 7.4026 112.2628 57.3545 28.7398 176.1706 82 H 4.4325 7.4647 118.2050 56.6328 28.4999 175.4637 83 T 4.5373 8.3845 121.4440 63.4404 68.9943 174.8389 84 W 4.5054 8.1304 130.5589 56.8445 31.8059 174.8328 85 E 4.0257 7.8858 123.0799 53.4920 32.8029 176.1834 86 G 3.3366 6.4825 107.1653 46.2003 0.0000 171.3507 87 A 4.4734 8.4860 120.4510 53.1686 20.0775 177.7957 88 E 4.3584 8.4156 114.4052 56.1464 31.0090 176.8403 89 I 4.2273 8.2180 123.1640 60.3491 37.9533 174.2180 90 P 4.6638 0.0000 0.0000 62.7060 32.6788 176.3752 91 L 4.5304 8.2885 122.8954 53.5666 44.4458 174.6409 92 V 4.3283 8.7949 126.8406 62.1234 31.7083 175.1648 93 I 4.6205 8.5280 129.3238 59.1318 40.6068 174.7741 94 E 4.2541 9.6961 128.8510 55.0285 29.6429 174.7778 95 P 4.5229 0.0000 0.0000 62.8394 32.1858 175.4131 96 G 4.0771 8.7249 109.3552 47.3729 0.0000 173.7761 *101 T 4.2737 7.9910 115.0875 62.9467 70.0705 176.5568 102 G 3.6875 8.4217 114.0508 42.3436 0.0000 174.3188 103 H 3.8020 8.0978 121.4708 58.9653 30.1490 175.3543 104 A 3.9065 7.8989 121.7162 55.3140 18.1395 179.2750 105 E 3.9118 7.9623 116.6990 59.7926 29.5830 179.5743 106 T 3.8734 7.5372 109.7263 64.6943 68.9386 176.9627 107 T 3.6785 8.0700 119.0058 66.2880 68.4690 176.2316 108 R 3.8494 7.9093 120.4186 59.5193 30.1229 178.3688 109 L 3.9515 7.8548 118.2952 57.9505 41.6033 179.5609 110 A 4.0141 8.1447 120.6205 55.0639 18.3082 179.7023 111 L 3.9777 8.3421 118.0487 57.6795 41.7056 179.7288 112 K 4.0524 8.1419 119.3062 59.4820 32.1536 178.6855 113 A 4.0433 8.0456 121.0662 55.0432 18.2060 179.0537 114 L 3.8915 8.3171 118.9544 58.6495 41.9560 179.3267 115 A 4.0280 8.0118 118.7919 54.8679 18.2985 179.3054 116 R 3.9264 7.8757 116.9802 59.5095 30.2547 177.6267 117 H 4.6062 8.2428 114.3956 55.9597 29.7765 175.8090 118 L 4.1288 7.8461 123.2327 54.9013 42.6073 176.0345 119 R 4.6709 8.7257 124.6900 53.3289 32.3068 173.9053 120 P 4.4682 0.0000 0.0000 64.6919 31.6659 176.8166 121 G 4.0192 9.4115 112.1299 45.1107 0.0000 173.5737 122 D 4.6825 8.1507 120.7416 54.4975 42.2516 175.8582 123 K 4.8080 9.7156 123.1528 56.1432 33.6168 176.0879 124 V 4.9664 9.2194 125.1636 60.9321 34.7915 173.6484 125 L 4.4126 8.7089 130.0065 53.1348 43.8864 174.3332 126 D 5.0697 8.8685 127.2557 52.4863 42.6382 174.3453 127 L 4.2183 8.4239 129.3761 54.1811 42.7458 176.6847 128 G 3.7441 8.5265 114.8664 46.6202 0.0000 173.6008 129 T 4.1263 7.7823 114.3017 62.5400 69.3224 175.9311 130 G 3.8841 7.7548 108.2117 46.1975 0.0000 177.1045 131 S 3.9882 8.6926 122.2570 59.5836 62.8308 175.6195 132 G 4.1461 8.6411 110.1143 43.8656 0.0000 175.3201 133 V 3.4932 7.5085 119.8764 65.0966 30.8784 178.3480 134 L 3.9004 7.7626 118.3645 57.1180 41.7688 178.9290 135 A 3.9472 8.0704 120.2960 55.0350 18.2820 179.5633 136 I 3.6261 8.2071 118.4989 64.4319 37.2221 178.3901 137 A 3.7295 8.0440 121.4774 55.0138 18.0463 179.3064 138 A 3.9803 8.1804 119.4982 55.5975 18.4281 179.7537 139 E 4.1404 8.0659 118.1782 59.0330 29.3083 179.4920 140 K 3.9467 8.1182 117.7305 59.4773 32.2579 178.3011 141 L 4.4820 7.8401 116.0340 54.5905 41.9962 177.5933 142 G 3.8907 8.1766 108.3973 45.2960 0.0000 173.7558 143 G 4.1466 8.2430 107.4620 45.4624 0.0000 173.7059 144 K 4.8145 9.3183 120.3530 54.6857 33.9355 175.1268 145 A 5.2290 9.2697 127.9618 49.8859 21.9231 174.8884 146 L 4.8302 8.9620 123.6054 53.0213 45.1870 175.2243 147 G 4.5196 9.0620 113.8148 44.5774 0.0000 172.4057 148 V 5.6387 8.3422 118.2827 58.9490 35.2301 174.4283 149 D 5.1060 8.3642 122.3349 52.5643 44.2757 176.2290 150 I 3.6651 8.6983 118.4533 62.9092 38.0821 175.3238 151 D 4.6297 8.9381 122.5654 52.2791 40.6268 174.8921 152 P 4.3752 0.0000 0.0000 65.4749 31.2620 177.9326 153 M 4.1842 8.1106 117.9680 57.7011 32.1409 178.0119 154 V 3.9158 7.5026 111.8597 62.4681 31.8858 178.2344 155 L 3.8174 7.6486 119.3745 57.1921 41.4953 177.3147 156 P 4.1796 0.0000 0.0000 65.6832 31.2650 178.3961 157 Q 3.9372 7.9368 117.6586 58.7758 29.0647 177.8271 158 A 4.3463 7.6106 123.3301 54.5150 18.2675 179.4385 159 E 3.9532 8.0848 117.0410 59.5214 29.4149 179.4174 160 A 4.0033 7.9981 120.7217 55.3717 18.2033 179.5032 161 N 4.2783 8.0424 113.7394 56.1368 38.8282 177.2571 162 A 4.2050 8.1384 122.3679 55.1921 18.4150 179.7881 163 K 3.9598 8.1238 117.0163 59.6889 31.9072 179.6526 164 R 4.0370 7.7426 117.1136 58.1479 30.0117 177.5500 165 N 4.9540 7.7960 113.8608 51.4398 39.9114 174.3177 166 G 4.0328 7.9881 108.4394 46.7264 0.0000 174.0720 167 V 4.6085 7.7471 109.8377 59.3925 35.6013 176.3749 168 R 4.5627 8.0379 119.8189 53.4528 30.2436 173.3619 169 P 4.4451 0.0000 0.0000 62.1317 33.0050 175.6351 170 R 4.1189 8.2676 122.0495 55.5988 31.3155 174.9670 171 F 5.5618 8.5476 124.4894 55.7965 41.6293 174.7637 172 L 4.8554 8.9608 122.4745 52.7011 46.3009 175.3394 173 E 4.4098 8.7956 124.0197 55.5872 30.2549 177.3641 174 G 3.8763 6.9426 114.0303 44.8692 0.0000 171.1881 175 S 4.5391 7.9609 116.6774 56.4210 63.8020 175.9669 176 L 4.0859 8.9262 116.0116 58.0715 41.4663 178.5367 177 E 4.1186 8.1969 118.4878 59.3168 29.5525 178.6059 178 A 4.1289 8.0710 118.7746 54.8816 18.8104 178.7764 179 A 4.4404 8.0593 119.0036 54.1813 18.5171 179.2785 180 L 4.0049 7.8362 120.1406 58.0269 42.1459 177.2448 181 P 4.3585 0.0000 0.0000 63.9983 31.3759 176.7185 182 F 4.5018 8.1463 116.0595 57.4770 40.2525 176.1244 183 G 3.2697 7.1122 110.6585 43.1795 0.0000 171.7411 184 P 4.4614 0.0000 0.0000 63.0021 32.1302 175.2039 185 F 4.8842 8.8958 117.9792 56.0188 41.5928 176.5919 186 D 4.5746 9.0542 121.1351 56.7958 42.2101 176.3935 187 L 5.1868 7.9048 119.2570 53.3899 45.9934 174.3043 188 L 5.2130 9.3897 127.9848 53.0937 45.2230 175.2920 189 V 4.7996 8.5999 124.7669 59.9125 34.9628 174.7769 190 A 4.5123 8.7969 126.2648 51.2796 21.7738 174.4854 191 N 5.2347 8.7753 122.0658 52.5316 38.6744 174.9151 192 L 5.0335 9.1113 127.1020 54.1538 44.6087 178.8611 193 Y 5.6748 8.5756 124.1224 55.9525 40.8500 175.0694 194 A 4.0681 9.1755 122.7217 55.8405 18.3434 179.9919 195 E 3.9277 8.2997 116.2907 59.2765 29.6185 179.3018 196 L 3.6417 6.8683 119.7902 58.3138 42.2444 178.1464 197 H 4.2262 7.8774 117.3214 58.2550 28.4729 177.4953 198 A 3.8511 7.8435 120.5021 55.1654 18.3474 179.2925 199 A 3.9767 7.7485 117.9309 54.7385 18.7254 179.0254 200 L 4.0442 7.7144 115.9201 55.3061 41.9394 178.6124 201 A 3.6279 7.2614 121.9711 54.7830 17.9955 177.8959 202 P 4.2461 0.0000 0.0000 66.0082 31.6713 178.2872 203 R 4.2151 8.0994 117.1661 58.2998 29.5902 178.2631 204 Y 4.5664 7.8189 116.7935 61.2929 37.8049 178.3817 205 R 4.1082 8.2345 119.6407 59.5738 29.9829 178.2923 206 E 4.1515 7.8325 116.0028 58.5421 29.7824 178.4546 207 A 4.3485 8.0338 120.6847 52.8516 18.6399 176.5312 208 L 5.4025 6.9806 116.4438 52.6953 44.5949 177.2979 209 V 3.9210 8.5138 115.1551 60.4848 33.0256 173.9578 210 P 4.3236 0.0000 0.0000 64.4821 31.3535 177.2507 211 G 3.9332 9.1407 111.9248 45.2285 0.0000 173.7143 212 G 3.9757 8.1185 107.4404 46.2397 0.0000 173.0112 213 R 5.4712 9.1124 119.4466 54.0954 33.6648 174.8716 214 A 5.1058 8.9196 123.7144 50.1205 22.4286 175.4274 215 L 4.9834 8.8013 120.9221 53.0687 45.5494 175.5311 216 L 5.0552 8.9194 124.9477 53.2981 44.6827 176.1044 217 T 4.5441 7.9770 117.9941 60.6803 71.4543 174.7154 218 G 4.3503 8.8879 109.7435 46.7052 0.0000 172.6266 219 I 4.6456 7.6833 121.1947 59.2903 38.1262 175.2939 220 L 4.1711 8.5904 126.5763 54.1312 42.1397 178.2825 221 K 3.9890 8.9683 123.3429 60.1589 32.3828 178.4865 222 D 4.4716 7.9262 117.0333 55.8381 41.0851 177.3654 223 R 4.5187 8.2334 117.7657 55.7702 30.4567 177.4338 224 A 4.0482 7.6580 123.3069 54.8128 18.2899 178.1376 225 P 4.1981 0.0000 0.0000 65.6909 31.3057 178.0887 226 L 3.9100 7.6265 118.9741 58.5015 41.8536 179.4252 227 V 3.5600 7.7491 117.2956 65.8827 31.4797 177.9197 228 R 4.2023 8.3534 119.6093 58.7616 29.9107 178.2911 229 E 3.8886 8.6258 119.1036 59.4311 29.4916 178.4599 230 A 3.9458 8.2113 120.6134 55.8066 18.4223 179.5939 231 M 3.8677 8.2508 116.9240 58.1360 31.9967 178.8790 232 A 4.1873 8.3750 121.5379 55.1430 18.3570 179.9556 233 G 3.6257 8.2458 103.0629 47.1849 0.0000 174.8439 234 A 4.4808 7.5611 120.6685 52.0577 18.8622 177.8963 235 G 3.8273 7.8232 105.5362 45.2550 0.0000 173.8044 236 F 4.6648 7.9300 117.6646 56.8119 40.2635 175.3992 237 R 4.6830 9.2264 121.7794 54.5173 31.7420 174.3533 238 P 4.1111 0.0000 0.0000 63.6273 31.8134 174.1993 239 L 4.4940 8.6818 122.5738 54.7629 42.7801 176.5399 240 E 4.7889 8.1898 116.3883 55.1296 34.3276 174.9762 241 E 5.1849 8.7306 118.6648 54.6521 32.8660 175.2081 242 A 4.9277 8.9133 122.2227 50.3303 23.0502 174.9654 243 A 5.1839 8.4759 119.8277 50.3647 23.0248 175.8117 244 E 4.4725 9.3330 121.6778 55.6078 33.3268 175.3642 245 G 3.9161 8.3795 116.7698 47.4541 0.0000 173.5762 246 E 4.2404 8.6701 125.0794 55.4977 29.5028 174.7040 247 W 5.4080 7.9760 119.4318 55.0275 32.3686 175.0801 248 V 5.0735 9.0202 115.7748 59.4827 35.9208 174.1143 249 L 5.0427 9.0462 123.5433 53.3786 45.1357 174.9312 250 L 4.9378 9.2712 125.9064 52.7821 44.7278 175.1307 251 A 5.0883 8.0383 124.7125 50.3867 21.7047 174.9292 252 Y 5.2142 9.1887 118.4998 56.2344 43.1890 174.4541 253 G 4.4426 9.7297 109.0479 44.4354 0.0000 173.3125 254 R 4.2301 8.9848 120.6307 56.0619 29.2900 176.1507 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 1 M 8.16 4.76 0.00 2.34 2.18 0.00 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 3.01 0.00 2 W 9.31 5.21 0.00 3.55 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 3 V 9.70 4.76 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 -0.22 0.00 0.00 4 Y 9.57 4.21 0.00 1.43 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 5 R 8.17 4.58 0.00 1.27 1.42 0.00 2.21 0.00 0.00 2.62 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.67 0.00 6 L 8.56 4.86 0.00 1.37 1.37 0.89 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.52 4.22 0.00 1.58 1.72 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.39 7.81 8 G 8.21 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 9 T 8.24 4.27 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 10 L 8.72 3.97 0.00 1.66 1.82 1.00 1.27 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 11 E 8.17 4.06 0.00 2.08 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 2.38 2.44 0.00 12 A 7.68 4.13 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 13 L 8.00 4.37 0.00 1.75 1.62 0.87 1.00 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 14 D 7.61 4.40 0.00 2.97 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 15 P 0.00 4.34 0.00 2.08 2.12 0.00 3.73 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 2.03 2.15 0.00 16 I 7.68 4.05 0.86 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.86 0.92 0.00 0.00 17 L 7.50 3.94 0.00 1.80 1.90 1.05 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.59 0.00 2.22 2.17 0.00 3.77 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.21 0.00 19 G 8.03 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 20 L 7.76 4.25 0.00 1.58 1.60 0.85 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 21 F 8.00 4.15 0.00 3.14 3.06 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 *101 T 7.99 4.27 4.45 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 1.40 0.00 0.00 102 G 8.42 3.69 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 0.00 0.00 0.00 103 H 8.10 3.80 0.00 3.17 3.27 0.00 5.88 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 0.00 104 A 7.90 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 0.00 105 E 7.96 3.91 0.00 2.02 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 0.00 2.57 2.63 0.00 106 T 7.54 3.87 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 0.68 0.00 0.00 107 T 8.07 3.68 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 1.08 0.00 0.00 108 R 7.91 3.85 0.00 2.13 2.03 0.00 3.42 0.00 0.00 3.17 7.55 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 0.00 159 E 8.08 3.95 0.00 2.11 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 0.00 2.51 2.50 0.00 160 A 8.00 4.00 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 0.00 161 N 8.04 4.28 0.00 2.77 2.84 0.00 0.00 7.03 6.63 0.00 0.00 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 8.14 4.20 1.66 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 0.00 0.00 163 K 8.12 3.96 0.00 2.03 1.89 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.67 7.81 164 R 7.74 4.04 0.00 1.86 1.97 0.00 3.21 0.00 0.00 3.18 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 165 N 7.80 4.95 0.00 2.80 2.81 0.00 0.00 6.93 7.82 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 0.00 166 G 7.99 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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183 G 7.11 3.27 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 0.00 184 P 0.00 4.46 0.00 2.23 2.06 0.00 3.61 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.95 0.00 185 F 8.90 4.88 0.00 3.06 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 D 9.05 4.57 0.00 2.91 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 0.00 187 L 7.90 5.19 0.00 1.72 1.47 0.95 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 188 L 9.39 5.21 0.00 1.60 1.34 0.72 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 189 V 8.60 4.80 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 0.67 0.00 0.00 0.88 0.00 0.00 190 A 8.80 4.51 1.15 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 0.00 0.00 191 N 8.78 5.23 0.00 2.67 2.72 0.00 0.00 7.02 7.78 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 0.00 192 L 9.11 5.03 0.00 1.26 0.53 0.90 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 193 Y 8.58 5.67 0.00 3.26 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 0.00 194 A 9.18 4.07 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 0.00 195 E 8.30 3.93 0.00 2.32 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 0.00 2.49 2.48 0.00 196 L 6.87 3.64 0.00 0.55 0.70 0.81 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 197 H 7.88 4.23 0.00 3.39 3.36 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 0.00 198 A 7.84 3.85 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 0.00 199 A 7.75 3.98 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 0.00 0.00 0.00 0.00 0.00 200 L 7.71 4.04 0.00 1.57 0.71 0.84 0.43 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 0.00 201 A 7.26 3.63 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 0.00 0.00 0.00 0.00 0.00 202 P 0.00 4.25 0.00 2.22 2.20 0.00 3.61 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.02 0.00 203 R 8.10 4.22 0.00 1.98 2.06 0.00 3.13 0.00 0.00 3.14 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 204 Y 7.82 4.57 0.00 3.26 2.98 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 0.00 205 R 8.23 4.11 0.00 1.89 2.09 0.00 3.16 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.16 0.00 206 E 7.83 4.15 0.00 2.19 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 0.00 2.60 2.50 0.00 207 A 8.03 4.35 1.55 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 0.00 0.00 0.00 208 L 6.98 5.40 0.00 1.60 1.67 1.26 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 209 V 8.51 3.92 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 0.67 0.00 0.00 1.03 0.00 0.00 210 P 0.00 4.32 0.00 1.93 2.00 0.00 3.71 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 211 G 9.14 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 0.00 212 G 8.12 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 0.00 0.00 0.00 213 R 9.11 5.47 0.00 1.75 1.78 0.00 3.13 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.61 0.00 214 A 8.92 5.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 215 L 8.80 4.98 0.00 1.48 1.49 0.95 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 216 L 8.92 5.06 0.00 1.76 1.35 0.53 0.55 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 0.00 217 T 7.98 4.54 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 1.21 0.00 0.00 218 G 8.89 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 0.00 0.00 0.00 219 I 7.68 4.65 2.15 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 1.61 0.83 1.01 0.00 0.00 220 L 8.59 4.17 0.00 1.63 1.46 -0.13 0.80 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 0.00 221 K 8.97 3.99 0.00 1.85 2.04 0.00 1.26 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.38 7.81 222 D 7.93 4.47 0.00 2.62 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 0.00 223 R 8.23 4.52 0.00 1.90 1.96 0.00 3.31 0.00 0.00 3.18 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.79 0.00 224 A 7.66 4.05 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 0.00 225 P 0.00 4.20 0.00 2.18 2.14 0.00 3.55 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 2.13 2.17 0.00 226 L 7.63 3.91 0.00 1.74 1.85 0.93 0.88 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 0.00 227 V 7.75 3.56 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 1.12 0.00 0.00 1.03 0.00 0.00 228 R 8.35 4.20 0.00 2.07 2.06 0.00 3.25 0.00 0.00 3.26 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.71 0.00 229 E 8.63 3.89 0.00 2.29 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 0.00 2.31 2.35 0.00 230 A 8.21 3.95 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 0.00 231 M 8.25 3.87 0.00 0.77 1.38 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 2.39 0.00 232 A 8.37 4.19 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 0.00 233 G 8.25 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 234 A 7.56 4.48 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 0.00 235 G 7.82 3.83 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 0.00 0.00 0.00 236 F 7.93 4.66 0.00 3.08 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 237 R 9.23 4.68 0.00 1.83 1.92 0.00 3.16 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 238 P 0.00 4.11 0.00 1.94 1.93 0.00 3.73 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 2.12 2.36 0.00 239 L 8.68 4.49 0.00 1.43 1.47 0.97 1.10 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 0.00 240 E 8.19 4.79 0.00 1.92 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 2.23 2.26 0.00 241 E 8.73 5.18 0.00 1.81 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 2.08 2.20 0.00 242 A 8.91 4.93 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 0.00 243 A 8.48 5.18 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 0.00 244 E 9.33 4.47 0.00 2.00 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 2.27 2.29 0.00 245 G 8.38 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 0.00 246 E 8.67 4.24 0.00 1.50 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 2.20 2.06 0.00 247 W 7.98 5.41 0.00 3.46 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 0.00 248 V 9.02 5.07 2.20 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 0.91 0.00 0.00 1.00 0.00 0.00 249 L 9.05 5.04 0.00 1.66 1.47 0.94 0.54 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 0.00 250 L 9.27 4.94 0.00 1.71 1.36 1.06 0.72 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 0.00 251 A 8.04 5.09 1.10 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 0.00 0.00 252 Y 9.19 5.21 0.00 2.67 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 0.00 253 G 9.73 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 0.00 0.00 0.00 254 R 8.98 4.23 0.00 1.28 1.28 0.00 3.21 0.00 0.00 3.12 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 * Residues marked with a * may have inaccurate shift predictions.