NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 24 G 3.9156 8.2127 109.7334 45.2448 0.0000 175.5316 25 L 3.6393 7.7061 120.7298 56.7353 42.4308 175.7383 26 E 3.9396 8.4964 119.7019 60.6883 30.1302 181.6593 27 A 4.2645 7.5203 119.3979 55.3241 18.1859 180.0124 28 V 2.8989 7.5461 117.0204 66.0541 31.4440 178.5693 29 R 3.9343 7.7937 115.3315 58.2427 29.9928 178.0618 30 K 4.3301 7.7408 117.0214 56.7362 34.1914 177.0297 31 R 4.7882 7.7828 116.6811 54.0158 30.7548 174.8439 32 P 4.6893 0.0000 0.0000 65.5674 31.6748 178.4532 33 G 3.1323 8.1050 104.7121 47.3431 0.0000 174.9422 34 M 4.1917 7.9757 119.4154 57.1667 31.9547 176.9830 35 Y 4.5088 7.8258 115.1720 58.5742 40.2395 176.5085 36 I 4.4536 8.8966 118.6763 59.5931 39.8186 174.4517 37 G 3.6443 7.5579 108.3137 46.3670 0.0000 170.8917 38 S 3.7323 8.1092 124.6768 57.6730 63.8694 172.3849 39 T 4.4024 8.2798 110.0078 61.6847 69.1560 175.9346 40 S 4.7571 7.4667 118.6760 58.3237 66.5669 173.4645 41 E 3.9333 8.7676 119.9061 60.0914 29.5192 179.7246 42 R 4.1227 8.2107 118.4171 59.4081 29.9571 178.5575 43 G 3.7882 8.1262 105.1562 47.7227 0.0000 175.1489 44 L 3.3617 8.2593 123.1950 58.1240 41.9301 178.6617 45 H 4.1597 8.5831 115.2781 58.1446 28.7543 177.1236 46 H 4.4272 8.2594 120.7739 58.9864 29.5165 176.9011 47 L 3.8672 7.5818 119.6578 57.9413 41.4412 179.6533 48 V 3.5304 6.9497 116.0149 65.9307 31.3053 178.1755 49 W 4.6308 7.2446 118.4296 59.4964 28.5786 178.5645 50 E 3.9839 8.1267 119.0351 59.3885 28.9144 179.3571 51 I 3.7254 7.4649 119.6394 64.3496 37.2173 178.6120 52 V 3.6537 8.0624 119.2542 66.2613 31.3031 177.5125 53 D 4.5110 8.5376 118.9586 57.7171 40.6581 178.8295 54 N 4.3569 7.8991 116.6003 56.5128 38.5904 177.6460 55 S 4.2040 8.0778 116.5470 61.7102 62.9112 176.8552 56 I 3.8054 8.2975 122.9575 64.3536 36.6977 178.1459 57 D 4.4129 8.3639 120.0719 57.4986 40.6592 178.6395 58 E 4.0459 8.2108 118.7940 59.2856 29.4502 179.3723 59 A 4.4558 8.0507 122.0282 54.8982 18.3492 179.7958 60 L 4.2013 8.3323 115.9566 57.4740 41.7330 178.8555 61 A 4.3429 8.1712 119.0267 52.5802 18.6836 178.0002 62 G 3.7118 8.3888 106.1685 45.2646 0.0000 173.7897 63 Y 4.4839 7.7946 117.7187 58.2740 40.0770 176.2196 64 A 4.8761 7.8522 122.0531 51.0019 20.5784 176.4843 65 N 5.2023 8.5858 115.7156 52.2251 40.1015 173.4797 66 Q 4.9930 8.0633 118.9339 54.4592 32.7000 173.9776 67 I 5.1517 9.1772 125.1016 59.3666 40.8649 174.2174 68 E 5.1473 9.6861 127.4711 54.3101 33.1214 174.4131 69 V 4.8604 9.3523 126.4647 61.0688 34.6365 174.1513 70 V 4.9158 8.8741 127.7929 61.1304 34.7953 174.1418 71 I 4.4810 8.8608 129.4615 60.6438 38.4363 175.3640 72 E 4.8273 9.2115 129.9278 54.6086 32.2944 176.4740 73 K 3.9895 8.5007 121.5316 56.7546 31.9976 176.6573 74 D 4.7213 9.0939 119.1902 54.0222 38.1871 173.6759 75 N 4.4280 8.2081 114.1959 53.8951 36.9378 174.6962 76 W 4.3578 7.9418 116.4305 57.0423 30.7329 175.4094 77 I 4.7014 8.2621 122.6435 59.2339 40.0309 174.4721 78 K 5.1406 9.0360 127.6938 54.5682 35.2459 174.7454 79 V 5.0129 9.2630 126.6546 61.4656 34.7656 174.1731 80 T 5.3258 9.2255 124.3054 61.8123 72.1201 172.7414 81 D 5.8500 9.2007 124.6471 50.0559 43.5401 175.1991 82 N 5.2330 7.8818 114.4648 51.8500 37.3700 176.5180 83 G 4.0503 8.3689 113.0308 46.9394 0.0000 175.4258 84 R 4.0333 9.0974 119.5790 56.6983 30.5740 175.4787 85 G 4.1005 8.1276 109.5968 45.1058 0.0000 173.4455 86 I 3.6707 7.9840 124.4112 60.8142 37.6554 174.5145 87 P 4.3090 0.0000 0.0000 63.3229 31.6521 177.0088 88 V 4.2997 7.8533 111.6127 60.3882 33.6976 175.8667 89 D 4.4680 7.7952 120.5622 53.2593 40.4613 175.8714 90 I 4.0895 8.2960 121.9746 61.9251 37.6862 175.3790 91 Q 4.2209 9.0967 132.5906 55.4164 29.8944 175.7001 92 E 4.2622 9.0881 126.3528 57.5729 29.5875 173.2817 93 K 4.9516 7.9058 135.0000 54.4985 33.4483 172.3443 94 M 4.7131 7.8164 113.1728 53.9318 32.7248 176.1382 95 G 3.9456 8.6685 106.8909 45.5223 0.0000 172.9078 96 R 4.6731 7.6328 117.3239 53.0620 32.7697 174.0742 97 P 4.6959 0.0000 0.0000 62.5864 33.1740 177.3416 98 A 4.0001 8.5445 124.4275 55.5558 18.3021 180.6547 99 V 3.5861 7.4681 117.3261 65.0113 31.2486 178.2195 100 E 4.0321 8.1397 119.4938 58.9242 29.3382 178.6844 101 V 3.5580 7.5646 117.2331 66.0342 31.6241 177.9101 102 I 3.8270 7.9633 118.6247 64.5044 37.3395 178.1275 103 L 3.9731 8.2884 120.4209 57.6780 41.4410 178.8861 104 T 4.0669 7.8580 107.4627 62.8358 68.5285 175.9058 *128 S 4.6879 7.6301 115.5880 58.2524 64.7467 173.1693 129 S 4.3114 7.8151 117.4248 57.1705 62.8499 174.8257 130 V 3.4157 8.4895 127.5416 66.0677 30.9623 177.9474 131 V 3.3324 7.4919 116.3266 65.9847 31.5433 176.8831 132 N 4.2405 7.8506 116.4125 56.6662 38.4681 176.6101 133 A 4.0479 7.7809 121.1408 54.6811 18.6817 178.5957 134 L 4.5107 8.1941 116.4335 53.9956 42.5058 175.7737 135 S 5.2867 7.3567 115.6478 56.7796 65.1280 175.3980 136 Q 4.1909 8.8977 122.2923 58.6199 30.0707 175.6449 137 D 5.1370 7.7010 118.6501 52.5110 45.7203 174.2044 138 L 5.4915 9.1612 123.8083 53.5468 45.9180 174.8402 139 E 5.4644 10.2706 125.5280 54.5797 33.5294 175.2284 140 V 5.1223 8.6934 121.1258 60.3023 35.4148 174.0119 141 Y 5.2181 9.3566 120.1469 56.4449 41.7821 174.2897 142 V 4.9240 9.1452 124.6122 61.5104 34.5258 173.8465 143 H 5.4718 9.2211 125.6069 54.8756 30.4514 174.3410 144 R 4.6917 9.4977 120.2484 55.8387 35.2190 175.0109 145 N 4.3171 9.3767 119.3145 55.5516 36.1651 174.0437 146 E 4.6357 8.1316 111.3275 56.3562 28.1671 174.3631 147 T 4.9016 7.7781 114.6832 61.7543 72.1143 173.1364 148 I 4.7492 8.0939 125.4548 60.1717 39.0395 174.3092 149 Y 5.1990 9.2520 125.5255 56.6248 40.7650 174.4386 150 H 5.4685 9.4295 122.0565 53.5733 33.7895 171.8172 151 Q 4.6463 8.3042 123.9304 54.4108 32.9070 172.8903 152 A 5.0003 6.7675 124.0707 50.2393 22.9671 174.5000 153 Y 5.1274 9.2265 116.3518 56.1461 43.0988 174.5698 154 K 5.0130 9.0225 120.7547 54.1398 35.3325 176.7241 155 K 3.9963 9.7620 124.3042 57.3217 30.2484 176.3920 156 G 3.8174 8.6153 105.2804 44.1827 0.0000 173.9537 157 V 4.1904 8.1412 121.0116 60.1750 32.4433 173.3679 158 P 4.3742 0.0000 0.0000 63.0284 31.5532 176.4534 159 Q 4.0912 8.2342 123.6678 58.0426 28.9849 175.6922 160 F 4.9089 6.2849 109.9087 55.0938 40.8908 173.3498 161 D 4.4895 8.5638 120.7174 53.7039 41.1643 176.2890 162 L 4.3749 8.4952 124.2051 56.1381 42.4321 176.3355 163 K 4.8577 9.0823 123.7666 55.1506 36.6532 175.0289 164 E 4.4616 8.7775 121.3272 56.1865 30.0347 176.8687 165 V 4.3673 8.9267 116.5943 59.9973 33.8233 175.3439 166 G 4.0274 6.9283 108.1165 46.7384 0.0000 171.7885 167 T 5.2240 8.2059 109.1131 60.4360 71.8766 173.2227 168 T 4.6510 8.7371 115.8113 61.0622 71.2765 173.3353 169 D 4.8633 8.7057 124.3413 52.9105 39.7883 175.7906 170 K 4.6350 8.1773 119.2987 55.2925 34.5618 175.3276 171 T 4.8686 9.2496 109.1570 59.6014 71.5859 174.2405 172 G 4.3987 6.8017 108.6076 44.7839 0.0000 171.5733 173 T 5.1707 8.1074 115.2820 61.6440 72.6364 173.4741 174 V 4.9176 9.2348 125.5349 61.2470 34.3557 174.1156 175 I 5.1534 9.0459 128.9468 59.6347 40.1909 174.7107 176 R 5.4780 9.3677 125.8537 54.4568 33.1922 174.6365 177 F 5.3726 9.2038 118.6657 54.8752 42.1804 173.8658 178 K 4.0997 8.5969 122.1442 53.9502 33.7844 175.0837 179 A 4.4772 8.5387 129.3980 52.3066 19.3036 176.2095 180 D 4.3241 9.0861 121.3363 53.9831 40.9065 177.5439 181 G 3.6567 9.0177 113.6565 48.0252 0.0000 174.8571 182 E 4.2537 8.7378 120.3764 58.7246 29.4522 178.6722 183 I 4.0342 6.9075 118.7053 62.1235 39.4820 176.9787 184 F 4.6086 7.8989 119.9235 56.2309 37.2005 174.9660 185 T 4.1421 7.2307 113.1538 62.0141 69.9211 174.3231 186 E 4.2602 10.2073 125.5254 55.7688 27.5883 174.6271 187 T 4.5604 7.0767 111.2139 61.5967 70.2113 173.1727 188 T 4.2994 8.3262 115.5527 60.9564 69.5668 173.1980 189 V 4.0688 7.3934 122.1093 61.5584 32.3616 175.3557 190 Y 4.1079 8.2457 125.2237 57.8220 38.6631 175.0236 191 N 4.9377 8.9128 121.3420 52.1440 40.7162 174.9761 192 Y 4.0051 8.8714 131.2482 61.5165 39.1173 178.1386 193 E 4.1393 8.5547 118.7048 61.8169 29.4081 180.9125 194 T 4.1437 8.0404 116.3315 66.6343 68.4626 176.5922 195 L 4.4410 7.9044 120.4164 57.7456 41.6221 179.3605 196 Q 3.8715 8.1779 120.0268 59.0560 28.9949 178.0236 197 Q 3.8748 8.2320 120.6599 59.1208 29.0586 178.1467 198 R 3.5654 7.6540 119.3365 59.3573 30.0460 178.2015 199 I 3.7195 8.0700 119.9667 64.6642 37.1384 178.3306 200 R 3.2344 7.6805 119.0634 59.1051 29.7615 178.3398 201 E 3.9229 7.9216 118.3638 59.5309 29.2647 179.3277 202 L 3.9233 7.9260 117.7163 57.7595 42.0366 179.2510 203 A 4.2778 8.2179 120.7692 55.1830 18.1963 179.5223 204 F 3.9724 8.3276 118.1731 61.1322 39.4371 177.0999 205 L 4.1272 8.1828 118.2540 56.1331 43.0450 176.9633 206 N 5.0312 7.7729 115.1167 50.9102 38.8463 173.9930 207 K 4.2488 7.6679 118.2310 58.0140 33.1551 178.1779 208 G 4.0036 9.9524 112.1441 45.0183 0.0000 173.1389 209 I 4.5329 7.2698 120.3249 59.6045 38.8801 175.0929 210 Q 4.4670 9.0227 129.9382 55.4458 30.3755 174.3668 211 I 5.1332 9.0372 127.7458 59.9177 40.3712 174.5337 212 T 5.0664 9.1294 124.3230 61.6033 71.4199 173.0017 213 L 5.2798 8.9758 128.1091 53.5015 45.2056 175.0953 214 R 5.1513 8.8786 124.7179 55.1578 33.8856 172.8421 215 D 5.1707 9.4702 126.8581 52.9015 42.4126 175.8345 216 E 4.7560 9.3278 124.9004 56.2852 30.6492 178.4602 217 R 3.6003 8.6233 120.2140 58.0101 30.4493 176.1223 218 D 4.7583 7.5670 117.3466 51.7158 41.8824 175.7199 219 E 4.0293 8.7020 125.4833 59.0418 29.8167 178.4725 220 E 4.0964 7.9153 118.0916 58.0618 29.6964 176.5361 221 N 4.7401 8.0523 116.3200 51.5852 39.5353 171.8928 222 V 4.4902 7.9962 122.8613 60.7491 33.4741 174.3516 223 R 4.7031 8.3048 127.1409 54.5422 33.0386 173.8119 224 E 5.3224 8.6394 124.9667 54.8209 33.1738 173.8013 225 D 4.9296 9.3273 125.1075 52.5042 44.9364 174.5978 226 S 4.9320 8.2692 116.6161 56.7125 65.1802 172.2949 227 Y 4.5461 8.8912 124.7885 56.6165 40.7038 174.9398 228 H 4.8930 8.2606 123.6069 55.7972 31.4284 171.2337 229 Y 4.6008 8.5534 125.8124 56.8799 39.8085 176.4787 230 E 4.1406 8.8518 118.7747 56.2384 29.8955 174.0800 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 24 G 8.21 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 25 L 7.71 3.64 0.00 1.77 1.59 0.77 0.66 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 26 E 8.50 3.94 0.00 2.01 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 2.31 1.95 0.00 27 A 7.52 4.26 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 V 7.55 2.90 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 0.74 0.00 0.00 0.02 0.00 0.00 29 R 7.79 3.93 0.00 1.76 1.92 0.00 3.46 0.00 0.00 3.18 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 30 K 7.74 4.33 0.00 1.81 1.85 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.55 7.81 31 R 7.78 4.79 0.00 2.17 1.89 0.00 3.16 0.00 0.00 3.28 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 32 P 0.00 4.69 0.00 2.16 2.28 0.00 3.91 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.77 0.00 33 G 8.11 3.13 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 0.00 34 M 7.98 4.19 0.00 1.68 2.18 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.68 0.00 35 Y 7.83 4.51 0.00 2.98 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 36 I 8.90 4.45 1.98 0.00 0.00 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 1.55 0.99 1.11 0.00 0.00 37 G 7.56 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 S 8.11 3.73 0.00 4.17 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 39 T 8.28 4.40 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 0.99 0.00 0.00 40 S 7.47 4.76 0.00 4.20 4.16 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 0.00 0.00 0.00 0.00 41 E 8.77 3.93 0.00 2.10 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 2.45 2.46 0.00 42 R 8.21 4.12 0.00 2.04 1.99 0.00 3.41 0.00 0.00 3.41 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.88 0.00 43 G 8.13 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.26 3.36 0.00 1.47 1.74 0.11 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 45 H 8.58 4.16 0.00 3.43 3.48 0.00 5.87 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 H 8.26 4.43 0.00 3.59 3.62 0.00 5.80 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 47 L 7.58 3.87 0.00 1.98 1.49 0.76 0.78 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 48 V 6.95 3.53 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 0.43 0.00 0.00 0.50 0.00 0.00 49 W 7.24 4.63 0.00 3.43 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.13 3.98 0.00 2.10 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 2.40 2.50 0.00 51 I 7.46 3.73 1.91 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.79 0.97 0.00 0.00 52 V 8.06 3.65 2.43 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 1.21 0.00 0.00 1.03 0.00 0.00 53 D 8.54 4.51 0.00 2.99 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 54 N 7.90 4.36 0.00 3.00 2.89 0.00 0.00 7.03 7.32 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 55 S 8.08 4.20 0.00 4.12 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 56 I 8.30 3.81 2.12 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 1.78 0.88 0.93 0.00 0.00 57 D 8.36 4.41 0.00 2.97 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 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.21 4.05 0.00 2.21 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 0.00 2.38 2.53 0.00 59 A 8.05 4.46 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 60 L 8.33 4.20 0.00 1.74 1.76 0.93 0.85 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 61 A 8.17 4.34 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 G 8.39 3.71 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 0.00 0.00 0.00 63 Y 7.79 4.48 0.00 3.14 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 A 7.85 4.88 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 65 N 8.59 5.20 0.00 2.76 3.00 0.00 0.00 5.97 7.44 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 66 Q 8.06 4.99 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.89 0.00 0.00 0.00 0.00 0.00 2.30 2.47 0.00 67 I 9.18 5.15 1.93 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.87 0.97 0.00 0.00 68 E 9.69 5.15 0.00 1.97 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.22 0.00 69 V 9.35 4.86 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 0.73 0.00 0.00 0.94 0.00 0.00 70 V 8.87 4.92 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 1.01 0.00 0.00 0.92 0.00 0.00 71 I 8.86 4.48 1.92 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.39 0.96 0.00 0.00 72 E 9.21 4.83 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 2.24 2.27 0.00 73 K 8.50 3.99 0.00 1.67 1.73 0.00 1.89 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.46 1.07 7.81 74 D 9.09 4.72 0.00 3.32 3.09 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 75 N 8.21 4.43 0.00 2.88 3.02 0.00 0.00 6.91 7.32 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 76 W 7.94 4.36 0.00 3.15 3.06 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 0.00 0.00 0.00 77 I 8.26 4.70 0.56 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 -0.11 0.58 0.00 0.00 78 K 9.04 5.14 0.00 1.94 1.60 0.00 1.56 0.00 0.00 1.56 0.00 0.00 2.78 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.52 7.81 79 V 9.26 5.01 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 1.10 0.00 0.00 0.97 0.00 0.00 80 T 9.23 5.33 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 1.26 0.00 0.00 81 D 9.20 5.85 0.00 2.74 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 N 7.88 5.23 0.00 2.74 2.92 0.00 0.00 6.37 7.00 0.00 0.00 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 G 8.37 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 84 R 9.10 4.03 0.00 1.67 1.84 0.00 2.66 0.00 0.00 2.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.12 0.00 85 G 8.13 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 0.00 0.00 0.00 86 I 7.98 3.67 1.88 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 1.30 0.60 0.89 0.00 0.00 87 P 0.00 4.31 0.00 2.12 1.93 0.00 3.50 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.07 0.00 88 V 7.85 4.30 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.30 0.00 0.00 89 D 7.80 4.47 0.00 2.76 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 90 I 8.30 4.09 1.86 0.00 0.00 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5.49 0.00 1.77 1.69 0.84 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 139 E 10.27 5.46 0.00 2.12 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 2.37 2.51 0.00 140 V 8.69 5.12 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 1.10 0.00 0.00 141 Y 9.36 5.22 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 0.00 142 V 9.15 4.92 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 1.13 0.00 0.00 1.01 0.00 0.00 143 H 9.22 5.47 0.00 3.16 3.48 0.00 5.72 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 R 9.50 4.69 0.00 1.88 1.86 0.00 3.46 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.70 0.00 145 N 9.38 4.32 0.00 3.01 2.96 0.00 0.00 7.14 7.66 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 0.00 146 E 8.13 4.64 0.00 2.19 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 2.33 2.35 0.00 147 T 7.78 4.90 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 0.54 0.00 0.00 148 I 8.09 4.75 1.80 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 0.85 0.57 0.98 0.00 0.00 149 Y 9.25 5.20 0.00 2.87 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 0.00 150 H 9.43 5.47 0.00 3.10 3.10 0.00 5.61 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.30 4.65 0.00 1.99 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.58 0.00 0.00 0.00 0.00 0.00 1.16 1.83 0.00 152 A 6.77 5.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 Y 9.23 5.13 0.00 2.93 2.84 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 0.00 154 K 9.02 5.01 0.00 1.63 1.70 0.00 2.04 0.00 0.00 1.77 0.00 0.00 2.96 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0.00 0.00 0.00 0.00 163 K 9.08 4.86 0.00 1.83 1.86 0.00 1.25 0.00 0.00 1.44 0.00 0.00 2.52 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.55 1.45 7.81 164 E 8.78 4.46 0.00 1.78 1.68 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 0.00 2.10 2.33 0.00 165 V 8.93 4.37 2.12 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 0.71 0.00 0.00 1.06 0.00 0.00 166 G 6.93 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 0.00 0.00 0.00 167 T 8.21 5.22 4.21 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 1.17 0.00 0.00 168 T 8.74 4.65 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 1.31 0.00 0.00 169 D 8.71 4.86 0.00 2.79 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 0.00 170 K 8.18 4.64 0.00 1.76 1.76 0.00 1.61 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.35 7.81 171 T 9.25 4.87 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 1.25 0.00 0.00 172 G 6.80 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.11 5.17 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 1.30 0.00 0.00 174 V 9.23 4.92 2.35 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 1.17 0.00 0.00 0.98 0.00 0.00 175 I 9.05 5.15 2.02 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.89 1.10 0.00 0.00 176 R 9.37 5.48 0.00 2.03 2.14 0.00 3.09 0.00 0.00 3.52 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 177 F 9.20 5.37 0.00 2.97 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 K 8.60 4.10 0.00 0.79 0.74 0.00 1.19 0.00 0.00 1.13 0.00 0.00 2.83 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.69 0.97 7.81 179 A 8.54 4.48 1.02 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 0.00 0.00 0.00 0.00 0.00 180 D 9.09 4.32 0.00 2.91 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 0.00 181 G 9.02 3.66 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 0.00 182 E 8.74 4.25 0.00 2.02 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 2.34 2.44 0.00 183 I 6.91 4.03 1.66 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.46 0.27 0.00 0.00 184 F 7.90 4.61 0.00 2.98 3.15 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 0.00 185 T 7.23 4.14 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 1.24 0.00 0.00 186 E 10.21 4.26 0.00 2.18 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.28 0.00 187 T 7.08 4.56 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 1.20 0.00 0.00 188 T 8.33 4.30 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 1.24 0.00 0.00 189 V 7.39 4.07 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 0.82 0.00 0.00 0.90 0.00 0.00 190 Y 8.25 4.11 0.00 2.97 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 0.00 191 N 8.91 4.94 0.00 3.04 2.80 0.00 0.00 6.75 7.56 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 0.00 192 Y 8.87 4.01 0.00 3.12 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 0.00 193 E 8.55 4.14 0.00 2.01 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 2.32 1.99 0.00 194 T 8.04 4.14 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 1.30 0.00 0.00 195 L 7.90 4.44 0.00 1.66 1.67 0.71 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 196 Q 8.18 3.87 0.00 1.83 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 2.45 2.59 0.00 197 Q 8.23 3.87 0.00 2.17 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 198 R 7.65 3.57 0.00 1.61 1.68 0.00 2.76 0.00 0.00 2.62 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 199 I 8.07 3.72 2.01 0.00 0.00 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 1.92 1.11 0.99 0.00 0.00 200 R 7.68 3.23 0.00 1.40 1.80 0.00 3.26 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 1.55 1.21 0.00 201 E 7.92 3.92 0.00 2.09 1.90 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 2.24 2.24 0.00 202 L 7.93 3.92 0.00 1.76 1.75 0.86 0.67 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 0.00 203 A 8.22 4.28 1.65 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 0.00 0.00 204 F 8.33 3.97 0.00 2.69 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 0.00 205 L 8.18 4.13 0.00 1.92 1.69 0.91 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 206 N 7.77 5.03 0.00 2.88 2.72 0.00 0.00 6.86 6.41 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 0.00 207 K 7.67 4.25 0.00 1.70 1.90 0.00 1.56 0.00 0.00 1.89 0.00 0.00 2.56 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.40 1.36 7.81 208 G 9.95 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 0.00 209 I 7.27 4.53 2.06 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 1.29 0.97 1.01 0.00 0.00 210 Q 9.02 4.47 0.00 1.75 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.74 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 211 I 9.04 5.13 2.02 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.82 1.02 0.00 0.00 212 T 9.13 5.07 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 1.24 0.00 0.00 213 L 8.98 5.28 0.00 1.77 1.56 0.86 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 214 R 8.88 5.15 0.00 1.94 1.73 0.00 3.12 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.81 0.00 215 D 9.47 5.17 0.00 2.97 2.49 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 0.00 216 E 9.33 4.76 0.00 2.02 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 2.22 2.26 0.00 217 R 8.62 3.60 0.00 1.98 2.03 0.00 3.18 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.78 0.00 218 D 7.57 4.76 0.00 2.54 2.68 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 0.00 0.00 0.00 0.00 219 E 8.70 4.03 0.00 2.10 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 0.00 2.27 2.27 0.00 220 E 7.92 4.10 0.00 2.08 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 2.33 2.24 0.00 221 N 8.05 4.74 0.00 2.58 2.64 0.00 0.00 7.00 7.18 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 0.00 222 V 8.00 4.49 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 0.87 0.00 0.00 0.99 0.00 0.00 223 R 8.30 4.70 0.00 1.69 1.42 0.00 2.63 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.45 0.00 224 E 8.64 5.32 0.00 1.98 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 2.19 2.56 0.00 225 D 9.33 4.93 0.00 2.87 2.33 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 0.00 226 S 8.27 4.93 0.00 3.76 3.58 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 0.00 227 Y 8.89 4.55 0.00 3.00 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 0.00 228 H 8.26 4.89 0.00 3.02 3.10 0.00 5.91 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 229 Y 8.55 4.60 0.00 3.15 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 230 E 8.85 4.14 0.00 1.99 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 0.00 2.23 1.87 0.00 * Residues marked with a * may have inaccurate shift predictions.