NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 H 4.6606 8.2500 117.1882 55.2880 30.6171 174.9075 4 E 3.6835 8.3033 122.8627 59.1030 29.1910 176.5057 5 A 3.9897 8.6793 121.6824 55.1988 18.7581 179.0724 6 Q 4.0131 7.7551 116.1234 58.9698 28.8434 178.5642 7 K 4.2022 8.7886 119.7059 59.5238 31.8374 179.1767 8 A 4.0440 7.9341 120.2967 55.2766 18.6860 179.4760 9 I 3.8256 7.7253 118.1916 64.4150 37.0909 178.5080 10 A 4.0633 8.1397 121.5730 55.1762 17.9478 179.8217 11 R 3.9175 7.6395 115.7556 58.9907 30.1704 178.3376 12 N 4.5421 7.9394 115.0874 53.9973 39.1004 175.4805 13 S 4.8526 7.5494 115.7151 56.5610 64.7541 174.7323 14 L 3.8973 8.7624 123.7710 58.5582 41.3609 179.2071 15 L 3.8762 7.3125 118.5490 58.4524 42.3738 178.7980 16 I 3.9318 7.5797 119.1699 64.1558 36.8170 178.3990 17 R 3.9476 8.3361 118.5654 59.6287 30.4495 178.8496 18 S 4.3332 8.0362 112.8013 59.2789 62.7636 174.3595 19 L 4.5804 6.9730 121.8173 52.7739 42.8242 174.7710 20 P 4.4030 0.0000 0.0000 62.3184 31.1429 177.3038 21 E 3.9855 9.1708 122.3123 59.6502 29.2155 178.6791 22 Q 4.0128 8.0174 113.9181 57.0641 29.3415 176.1992 23 H 4.8072 8.4124 116.1658 56.4019 30.6244 175.6862 24 V 3.4725 7.2304 120.2417 66.6634 31.3585 177.3605 25 D 4.5460 8.2724 117.4844 57.6717 40.5496 178.8567 26 A 4.1527 7.7723 119.4815 54.2377 18.7232 179.2176 27 L 4.1115 7.7038 118.8170 58.3246 42.2112 178.7366 28 L 4.0383 8.4848 119.0542 57.8871 41.2775 179.5400 29 S 4.4021 7.9252 113.8347 60.3582 62.8090 174.8660 30 Q 4.4970 7.6542 118.9640 55.3828 28.7375 175.5340 31 A 4.1312 7.4963 120.2054 51.9923 19.1390 177.8131 32 V 4.2427 8.1468 121.0687 60.9614 33.1529 175.0496 33 W 4.8342 8.8428 128.0302 55.6405 30.4142 175.9930 34 R 4.7967 9.1817 122.6057 54.6397 34.2421 174.3038 35 S 5.3848 8.4500 116.8992 57.2107 65.6853 173.2208 36 Y 4.9278 9.0882 119.8877 56.3774 41.9632 175.0847 37 D 4.9574 9.5954 123.7255 53.3829 42.7137 176.0378 38 R 4.1141 8.4924 120.8083 58.1001 30.4156 177.1733 39 G 3.9776 9.1286 113.4886 45.2266 0.0000 173.2018 40 E 4.2896 8.1413 121.9475 56.1023 30.9414 175.9678 41 T 4.4025 8.5340 123.4449 64.0237 68.7026 174.2912 42 L 4.2815 8.4927 127.2036 56.8453 42.6879 176.5678 43 F 4.8104 6.7641 110.9843 56.3602 41.0720 172.8315 44 L 4.9108 8.7639 118.0942 52.2344 45.0931 176.3671 45 Q 4.5069 8.2644 121.6616 57.2432 29.2594 177.6579 46 E 3.9485 9.3172 121.7077 56.8210 28.8464 174.7549 47 E 4.3908 8.0375 118.8001 55.5789 31.1998 175.9561 48 K 4.1737 8.4668 123.0088 56.2474 32.9998 176.4807 49 A 3.3411 7.4786 129.4194 51.6034 18.0032 176.5766 50 Q 4.5664 8.3378 118.3516 56.2708 30.6081 175.0240 51 A 4.9552 7.5694 119.0940 51.1344 22.3805 175.8942 52 I 4.1350 8.0763 119.7390 59.6676 40.2547 174.7168 53 H 4.8531 8.1174 122.1704 53.7361 31.8013 173.2344 54 V 4.5724 7.6425 120.9086 60.8723 34.7509 174.3756 55 V 3.9524 9.0145 129.2652 63.2086 31.8557 176.3923 56 I 4.2451 8.7945 129.1978 63.3268 38.4779 175.6069 57 D 4.4369 8.1400 118.7986 54.4939 44.8125 176.6530 58 G 4.2465 8.8408 110.1098 45.2351 0.0000 171.5444 59 W 5.3365 8.6530 117.1580 54.8576 33.1473 175.0366 60 V 4.9764 9.0437 123.3920 60.9443 34.3009 174.2842 61 K 5.0716 9.0580 126.8286 55.2249 35.6529 174.8752 62 L 5.2693 9.0408 122.1931 53.1491 44.6147 175.5018 63 F 5.3752 8.5327 116.6260 54.8333 41.8017 174.4190 64 R 5.2622 8.8932 118.5194 56.7437 33.1784 177.4765 *66 T 4.3474 8.4505 117.5127 61.6905 69.5814 173.1771 67 P 4.2447 0.0000 0.0000 65.4050 31.4820 177.4332 68 T 4.2981 7.9569 107.0256 61.4352 68.7620 175.2263 69 G 3.8919 8.3389 108.9670 46.2385 0.0000 173.5611 70 S 4.7199 8.1816 115.4290 56.4287 64.4379 173.8961 71 E 4.1899 8.7905 125.2423 56.4223 30.2641 175.8874 72 A 4.6208 9.3632 129.8545 49.6091 20.8673 174.9440 73 V 4.0914 8.3966 121.0227 64.6022 31.4703 175.7274 74 V 4.2496 8.6410 127.6941 64.3467 33.1985 175.6390 75 S 4.6685 7.5003 113.2339 57.5712 67.2131 174.9206 76 V 4.8346 7.9011 120.9274 60.1098 33.9753 174.6603 77 F 5.0378 9.4529 123.0446 56.1128 42.9129 174.3962 78 T 4.9528 8.5472 114.8371 59.3407 71.2232 171.8933 79 R 3.7716 7.9203 120.0473 57.5088 30.2912 176.6139 80 G 3.9535 9.5677 113.9428 45.4874 0.0000 171.8940 81 E 5.0747 8.0476 119.6111 54.4459 32.1394 175.4372 82 S 5.2081 8.4333 117.6506 57.0812 65.9871 172.8490 83 F 4.7062 8.0302 114.2047 57.6220 41.2237 174.9593 84 G 4.0216 9.0907 108.1952 45.6519 0.0000 175.1503 85 E 3.6873 8.1117 119.4856 59.2516 29.3698 178.8714 86 A 4.0095 7.8604 120.1099 55.2788 18.4828 179.9309 87 V 3.4580 7.6939 116.9639 64.7537 31.6024 178.2697 88 A 3.7680 7.9021 121.3974 54.9240 18.0114 179.6949 89 L 4.0203 7.7584 116.2969 57.6285 41.7938 179.1828 90 R 4.0660 8.1476 115.9250 55.7370 31.2189 175.6011 91 N 3.9520 7.4617 117.3759 54.9979 36.4478 172.4595 92 T 4.5955 7.2341 107.5032 58.8817 72.1106 172.2707 93 P 4.5918 0.0000 0.0000 61.9211 32.3099 176.2615 94 Y 4.2550 8.4224 119.2942 57.9185 38.0604 175.6849 95 P 4.6497 0.0000 0.0000 64.0004 31.8528 175.4579 96 V 4.6035 7.4930 111.5717 60.3734 36.8279 173.8139 97 S 4.5553 8.4452 117.3000 56.8146 65.9574 173.4813 98 A 4.7186 7.6905 122.1648 50.1551 22.1182 174.9040 99 E 4.9376 8.9158 121.5175 54.1840 34.0814 174.1232 100 A 4.4192 8.7585 128.3685 52.4173 18.6798 178.4643 101 V 3.9445 9.0763 124.5293 65.2732 32.3494 175.7455 102 T 5.0179 7.8527 108.4707 58.5494 72.5773 171.9459 103 P 4.8413 0.0000 0.0000 63.7026 32.5960 174.8664 104 C 5.0894 9.4797 115.8381 57.5006 33.8502 172.1046 105 E 5.2710 9.0164 118.4971 55.0596 32.3153 175.7952 106 V 4.4339 8.4598 122.8232 61.7154 35.6007 172.5558 *108 H 4.6897 8.7447 114.3469 55.9661 30.6804 172.5052 109 I 4.3894 8.3028 125.0975 58.7740 38.6268 173.8118 110 P 4.6754 0.0000 0.0000 62.8657 32.1616 177.8755 111 S 4.1825 8.8366 119.5458 61.3961 62.6917 175.3922 112 P 4.4039 0.0000 0.0000 65.3159 30.4559 178.6884 113 V 3.5695 7.4018 115.8963 66.0103 31.2167 177.9404 114 F 4.0570 8.0635 118.1831 61.3273 39.4762 176.8143 115 V 3.7211 8.2541 117.0998 66.0180 31.6709 177.8644 116 S 4.2701 8.4028 114.3662 61.0454 62.7291 176.2766 117 L 3.8812 7.2526 119.6651 56.1060 41.4100 178.4073 *119 R 4.2813 7.9079 117.3510 55.9619 32.0294 177.3217 120 R 4.0044 8.1158 116.3094 58.5653 30.2644 176.9431 121 D 4.6018 8.1009 118.7389 50.5491 42.2790 173.6113 122 P 4.2437 0.0000 0.0000 65.0283 31.3265 177.8849 123 E 3.9664 8.1720 118.5520 59.1855 29.2090 179.3071 124 I 3.6103 7.8496 120.2880 64.4662 37.1566 177.9227 125 C 4.0209 7.8630 118.9480 62.4407 31.5955 175.2220 126 I 3.7086 8.0327 121.8238 64.6676 36.2466 178.3013 127 S 4.1433 8.1956 113.7173 61.4729 62.1691 176.3221 128 I 4.0399 7.8236 123.9714 63.6864 36.7904 178.1810 129 L 4.2530 8.7287 122.8510 57.3591 41.8722 178.8274 130 A 4.1768 8.0568 120.6741 55.6102 18.3340 179.8124 131 T 3.9562 7.7503 113.8501 66.8994 68.6163 177.2623 132 T 4.0150 8.1910 111.7709 64.5198 68.7291 176.9321 133 F 4.3638 8.5720 121.2844 60.3602 38.9800 177.8434 134 G 3.7066 8.3013 105.4953 48.1625 0.0000 175.2970 135 H 4.3863 8.4035 120.8171 58.7725 29.8234 177.2059 136 L 3.9339 8.0567 120.8743 58.2825 41.4693 179.1924 137 H 4.1460 8.4772 116.0871 58.9703 28.5655 177.7988 138 S 4.1336 8.3191 114.8164 61.4098 62.1625 176.2330 139 L 3.9725 8.2456 122.0158 57.7453 41.1269 179.6303 140 V 3.5603 7.8448 117.0699 65.9179 31.7198 177.5826 141 A 4.1506 8.2191 120.5872 55.3313 18.2400 179.4552 142 Q 3.9698 8.4305 118.3051 59.2125 28.9211 178.2320 143 L 4.1462 8.1175 119.1163 56.9653 41.7205 178.3781 144 E 4.2805 7.7256 116.7296 56.3959 29.9802 176.3699 145 Q 4.2619 7.2889 118.6945 54.2194 29.6732 175.3591 146 L 3.7905 8.5742 124.0321 55.6813 42.3023 175.9370 147 K 4.4132 8.5810 126.6774 55.0365 33.3616 175.5354 148 A 4.6266 8.3447 127.0786 52.4030 21.2278 176.7980 149 Q 4.2735 8.0352 114.2680 56.6687 29.3759 177.2251 150 T 4.4235 9.3802 112.6709 60.5842 71.4275 176.1313 151 G 3.7726 8.6581 108.1868 48.4232 0.0000 175.7523 152 A 4.0569 7.9559 122.5342 54.5622 18.4226 179.7007 153 Q 4.0656 7.7627 115.6990 59.1978 28.8322 178.8577 154 R 4.1089 8.2453 119.4118 59.3586 30.0704 179.2770 155 V 3.5812 8.1908 118.1273 65.8035 31.4154 177.6628 156 A 4.0254 8.2040 120.7941 55.5461 18.2336 179.5636 157 E 3.9693 8.7531 117.2954 59.2652 29.6295 179.1782 158 F 4.1881 8.7949 121.1713 61.4214 39.2531 177.1281 159 L 3.9236 8.2458 117.2491 57.9360 41.6692 179.1324 160 L 4.1101 8.2732 119.2066 57.9880 41.3307 179.3556 161 E 3.9443 8.0867 118.1198 59.0012 29.6222 178.5402 162 L 4.0016 7.3124 117.7602 57.3301 41.9774 178.2377 163 C 4.4539 8.0689 119.4795 58.1873 39.9542 175.2888 164 D 4.5588 8.0904 115.6890 53.4737 37.1292 175.7361 165 C 4.9465 7.5400 111.4969 57.6329 32.2344 173.9787 166 D 4.6506 8.6873 120.8278 55.3528 41.1467 176.2009 167 T 4.6823 7.4905 112.4542 61.5004 71.6533 173.6092 168 G 4.0576 9.1105 111.6994 44.5783 0.0000 173.7249 169 A 5.3078 8.2054 124.9789 50.3480 22.3506 173.5628 170 C 4.9205 8.7442 112.6410 54.3444 45.7806 172.2754 171 E 5.2835 8.7063 120.0269 54.5010 32.0585 175.1258 172 V 4.6180 8.5382 119.2821 59.5864 35.0824 175.2646 173 T 4.6148 8.7489 121.5945 63.8151 68.9921 173.8012 174 L 4.8441 8.2858 124.8032 52.0221 45.4444 175.0275 175 P 4.2132 0.0000 0.0000 62.3463 32.0911 176.4232 176 Y 4.1380 8.4779 121.2351 60.3103 38.7524 176.6181 177 D 4.4571 7.8713 122.2114 53.2291 40.6525 176.4420 178 K 4.1233 7.9545 130.4645 56.3900 30.3710 177.8856 *180 L 4.2186 7.6305 121.1002 54.8263 44.4281 180.1462 181 I 3.5735 7.4354 118.5886 63.8745 36.8199 178.0079 182 A 3.9381 7.7354 121.0419 55.1019 18.5259 179.6276 183 G 3.6023 7.8722 103.6683 47.8840 0.0000 175.6444 184 R 3.8794 7.4561 119.7364 58.8530 30.1491 177.6719 185 L 4.4149 7.6348 115.7021 53.0335 42.9086 176.6678 186 G 3.6526 7.5763 112.0591 46.4007 0.0000 173.7513 *188 K 4.0568 7.6265 126.4646 56.1017 34.8367 174.4515 189 P 4.4089 0.0000 0.0000 65.0588 31.1717 178.5640 190 E 3.9151 8.1960 116.7788 59.8563 29.3452 179.5451 191 S 4.0645 7.8337 114.1990 61.4331 62.8908 176.2128 192 L 3.5329 7.7985 123.0082 58.2322 41.7125 179.3892 193 S 4.2955 7.9584 114.7031 61.6036 62.8208 176.3336 194 R 3.8575 8.3076 121.6283 59.5615 29.8574 178.2409 195 A 3.8875 8.5688 121.1315 55.3097 18.1312 179.6312 196 F 4.3612 7.8966 115.1679 60.6857 39.1218 177.8268 197 S 4.2871 8.2259 114.8515 61.9152 62.8488 176.9537 198 R 3.9126 7.9754 120.4481 59.1730 29.8079 178.5456 199 L 3.8335 7.6744 116.9758 55.7290 41.7024 178.9774 200 K 4.0139 8.0955 119.6538 59.6062 31.8035 178.6699 201 A 4.1577 7.4587 118.6588 54.7322 18.2971 178.5018 202 A 4.6725 7.5164 116.6368 51.6140 19.3626 177.3186 203 G 3.6708 8.3916 109.1744 47.3680 0.0000 174.3632 204 V 4.9543 7.8106 119.1642 59.5478 33.9182 177.6162 205 T 4.4650 8.7147 117.6937 58.9092 71.0316 173.6014 206 V 4.1272 8.2464 126.8041 61.4429 32.2412 175.1967 207 K 4.3597 8.5818 132.9580 55.8615 34.2403 177.3243 208 R 3.8351 8.6215 116.6590 59.9418 29.6101 173.9080 209 N 5.1065 7.8783 116.4063 53.1386 39.2799 174.0603 *210 H 5.1749 7.3255 115.4228 54.6779 32.6372 175.9079 211 A 5.0980 8.7845 118.7512 51.2073 22.3212 175.0287 212 E 4.9056 9.5420 121.7271 54.7529 32.3260 175.3221 213 I 4.6097 8.9754 129.5275 60.4779 37.8616 177.0959 214 E 4.0300 9.3495 126.9537 58.9491 30.5400 174.3758 215 D 4.7953 7.9105 121.0958 51.4336 43.7877 175.4356 216 I 3.6823 9.1711 128.6714 64.5703 37.2169 178.0670 217 A 4.0452 8.1862 120.9324 55.4600 18.1390 179.2936 218 L 4.1151 8.1500 118.0933 58.1799 42.2622 178.8195 219 L 3.9564 7.9022 120.2340 58.0617 42.0502 178.8609 220 R 3.9584 8.6652 119.0776 59.3125 29.8879 178.0961 221 D 4.3954 8.2820 118.1287 57.3207 41.0691 177.4894 222 Y 3.1056 7.7579 118.7541 60.3449 38.7684 177.5295 223 A 4.1070 7.8320 120.2430 55.4184 18.5985 179.1813 224 E 4.1274 8.3370 117.8587 58.4483 29.9668 178.4374 225 S 4.2417 7.3639 117.2266 59.3450 62.7987 179.1610 226 D 4.5398 8.5978 121.3406 55.0852 40.1550 179.0397 *230 S 4.6019 7.3926 112.5333 57.4105 64.8203 178.5237 231 W 5.2991 7.7083 129.4715 56.2243 33.9895 174.0296 232 S 4.1259 6.5615 116.8237 57.2697 64.9202 175.3171 233 K 3.8133 7.9818 121.5365 54.8162 31.4798 177.9420 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 3 H 8.25 4.66 0.00 2.56 2.23 0.00 6.07 0.00 0.00 0.00 0.00 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.30 3.68 0.00 2.07 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 5 A 8.68 3.99 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 6 Q 7.76 4.01 0.00 1.98 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.83 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 7 K 8.79 4.20 0.00 1.99 1.98 0.00 1.72 0.00 0.00 1.76 0.00 0.00 3.21 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.82 1.70 7.81 8 A 7.93 4.04 1.40 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 9 I 7.73 3.83 2.05 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 1.47 1.27 0.93 0.00 0.00 10 A 8.14 4.06 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 11 R 7.64 3.92 0.00 1.96 2.03 0.00 3.19 0.00 0.00 3.25 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.92 0.00 12 N 7.94 4.54 0.00 2.91 2.88 0.00 0.00 7.01 7.36 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 13 S 7.55 4.85 0.00 3.96 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 14 L 8.76 3.90 0.00 1.80 1.73 1.01 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.31 3.88 0.00 1.61 1.57 0.53 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 16 I 7.58 3.93 1.99 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.76 0.93 0.00 0.00 17 R 8.34 3.95 0.00 1.77 2.00 0.00 3.16 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.95 0.00 18 S 8.04 4.33 0.00 4.07 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 19 L 6.97 4.58 0.00 1.83 1.64 1.03 1.20 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 20 P 0.00 4.40 0.00 2.30 2.03 0.00 3.65 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 2.07 0.00 21 E 9.17 3.99 0.00 2.15 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 2.39 2.35 0.00 22 Q 8.02 4.01 0.00 2.11 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.90 0.00 0.00 0.00 0.00 0.00 2.07 2.20 0.00 23 H 8.41 4.81 0.00 3.27 3.32 0.00 5.85 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 24 V 7.23 3.47 2.11 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 0.91 0.00 0.00 1.02 0.00 0.00 25 D 8.27 4.55 0.00 2.74 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 26 A 7.77 4.15 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 27 L 7.70 4.11 0.00 1.83 1.80 1.02 0.90 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 28 L 8.48 4.04 0.00 1.92 1.86 1.00 1.18 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 29 S 7.93 4.40 0.00 4.10 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 30 Q 7.65 4.50 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.88 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 31 A 7.50 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.15 4.24 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 0.83 0.00 0.00 0.91 0.00 0.00 33 W 8.84 4.83 0.00 3.19 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 34 R 9.18 4.80 0.00 1.86 1.46 0.00 3.18 0.00 0.00 3.18 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 35 S 8.45 5.38 0.00 3.67 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 113 V 7.40 3.57 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 0.96 0.00 0.00 114 F 8.06 4.06 0.00 2.92 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 0.00 115 V 8.25 3.72 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 0.90 0.00 0.00 1.05 0.00 0.00 116 S 8.40 4.27 0.00 4.05 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 0.00 117 L 7.25 3.88 0.00 1.83 1.67 0.85 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 *119 R 7.91 4.28 0.00 1.95 1.99 0.00 3.23 0.00 0.00 3.20 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.76 0.00 120 R 8.12 4.00 0.00 1.98 1.95 0.00 3.09 0.00 0.00 3.13 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 121 D 8.10 4.60 0.00 2.69 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 130 A 8.06 4.18 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 0.00 131 T 7.75 3.96 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 1.23 0.00 0.00 132 T 8.19 4.01 4.14 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 1.29 0.00 0.00 133 F 8.57 4.36 0.00 3.37 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 0.00 134 G 8.30 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 0.00 135 H 8.40 4.39 0.00 3.36 3.31 0.00 5.62 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 0.00 136 L 8.06 3.93 0.00 1.97 1.70 0.76 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 137 H 8.48 4.15 0.00 3.40 3.39 0.00 5.62 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 S 8.32 4.13 0.00 3.97 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 0.00 139 L 8.25 3.97 0.00 1.82 1.68 0.78 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 140 V 7.84 3.56 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 0.83 0.00 0.00 0.95 0.00 0.00 141 A 8.22 4.15 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 0.00 142 Q 8.43 3.97 0.00 2.35 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 143 L 8.12 4.15 0.00 1.81 1.73 0.93 1.23 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 0.00 144 E 7.73 4.28 0.00 2.07 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 2.33 2.55 0.00 145 Q 7.29 4.26 0.00 2.18 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 146 L 8.57 3.79 0.00 1.58 1.63 0.92 0.61 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 0.00 147 K 8.58 4.41 0.00 1.75 1.67 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.41 7.81 148 A 8.34 4.63 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 Q 8.04 4.27 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.96 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 150 T 9.38 4.42 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 1.17 0.00 0.00 151 G 8.66 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 0.00 152 A 7.96 4.06 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 0.00 153 Q 7.76 4.07 0.00 2.40 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.74 0.00 0.00 0.00 0.00 0.00 2.21 2.25 0.00 154 R 8.25 4.11 0.00 1.96 1.97 0.00 3.11 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 155 V 8.19 3.58 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 0.90 0.00 0.00 0.69 0.00 0.00 156 A 8.20 4.03 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 E 8.75 3.97 0.00 2.22 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 2.36 2.49 0.00 158 F 8.79 4.19 0.00 3.14 3.35 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 0.00 159 L 8.25 3.92 0.00 1.87 1.77 1.07 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 160 L 8.27 4.11 0.00 1.82 1.73 1.01 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 161 E 8.09 3.94 0.00 2.08 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 2.27 2.33 0.00 162 L 7.31 4.00 0.00 1.76 1.62 0.96 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 163 C 8.07 4.45 0.00 3.05 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 0.00 164 D 8.09 4.56 0.00 2.86 2.62 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 0.00 0.00 0.00 0.00 165 C 7.54 4.95 0.00 3.07 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 0.00 166 D 8.69 4.65 0.00 2.70 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 0.00 167 T 7.49 4.68 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 1.22 0.00 0.00 168 G 9.11 4.06 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 0.00 0.00 0.00 169 A 8.21 5.31 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 0.00 170 C 8.74 4.92 0.00 3.00 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 0.00 171 E 8.71 5.28 0.00 2.22 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 2.17 1.86 0.00 172 V 8.54 4.62 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 1.01 0.00 0.00 173 T 8.75 4.61 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 174 L 8.29 4.84 0.00 1.43 1.34 0.91 1.30 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 0.00 175 P 0.00 4.21 0.00 1.75 1.68 0.00 2.97 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 1.38 0.96 0.00 176 Y 8.48 4.14 0.00 2.86 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 0.00 177 D 7.87 4.46 0.00 2.69 2.57 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 0.00 0.00 0.00 0.00 178 K 7.95 4.12 0.00 1.79 1.81 0.00 1.61 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.26 7.81 *180 L 7.63 4.22 0.00 1.54 1.64 0.84 0.62 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 0.00 181 I 7.44 3.57 1.88 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.58 0.48 0.00 0.00 182 A 7.74 3.94 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 0.00 183 G 7.87 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 R 7.46 3.88 0.00 1.84 1.96 0.00 3.30 0.00 0.00 3.43 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 185 L 7.63 4.41 0.00 1.46 1.51 0.40 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 186 G 7.58 3.65 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 0.00 *188 K 7.63 4.06 0.00 1.80 1.75 0.00 1.82 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.11 7.81 189 P 0.00 4.41 0.00 2.11 2.11 0.00 3.55 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 2.08 2.15 0.00 190 E 8.20 3.92 0.00 1.97 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 191 S 7.83 4.06 0.00 3.92 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 0.00 192 L 7.80 3.53 0.00 1.59 1.73 0.37 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 193 S 7.96 4.30 0.00 4.13 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 0.00 194 R 8.31 3.86 0.00 1.96 2.08 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 195 A 8.57 3.89 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 F 7.90 4.36 0.00 3.16 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 0.00 197 S 8.23 4.29 0.00 4.06 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 0.00 198 R 7.98 3.91 0.00 1.95 1.98 0.00 3.14 0.00 0.00 3.24 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.87 0.00 199 L 7.67 3.83 0.00 1.85 1.58 0.94 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 200 K 8.10 4.01 0.00 1.90 1.88 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.74 7.81 201 A 7.46 4.16 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.52 4.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 G 8.39 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 0.00 204 V 7.81 4.95 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 0.82 0.00 0.00 0.93 0.00 0.00 205 T 8.71 4.46 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 1.20 0.00 0.00 206 V 8.25 4.13 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 0.22 0.00 0.00 0.48 0.00 0.00 207 K 8.58 4.36 0.00 1.96 1.72 0.00 1.88 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.43 1.24 7.81 208 R 8.62 3.84 0.00 1.73 1.93 0.00 3.20 0.00 0.00 3.34 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.22 0.00 209 N 7.88 5.11 0.00 2.84 2.87 0.00 0.00 6.95 8.16 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 *210 H 7.33 5.17 0.00 2.54 2.86 0.00 7.12 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 211 A 8.78 5.10 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 0.00 212 E 9.54 4.91 0.00 1.86 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 2.23 2.25 0.00 213 I 8.98 4.61 2.01 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 1.11 0.90 0.93 0.00 0.00 214 E 9.35 4.03 0.00 1.71 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 2.26 2.14 0.00 215 D 7.91 4.80 0.00 2.67 2.55 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 0.00 216 I 9.17 3.68 1.90 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 1.47 0.58 0.98 0.00 0.00 217 A 8.19 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 0.00 218 L 8.15 4.12 0.00 2.04 1.97 1.43 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 219 L 7.90 3.96 0.00 1.95 1.83 0.83 0.72 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 0.00 220 R 8.67 3.96 0.00 1.90 2.11 0.00 3.14 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.67 0.00 221 D 8.28 4.40 0.00 3.13 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 0.00 222 Y 7.76 3.11 0.00 2.04 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 0.00 223 A 7.83 4.11 1.40 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 0.00 224 E 8.34 4.13 0.00 2.04 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 2.35 2.43 0.00 225 S 7.36 4.24 0.00 3.62 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 0.00 226 D 8.60 4.54 0.00 2.68 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *230 S 7.39 4.60 0.00 3.65 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 0.00 231 W 7.71 5.30 0.00 3.13 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 0.00 232 S 6.56 4.13 0.00 3.74 3.62 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 0.00 0.00 0.00 0.00 233 K 7.98 3.81 0.00 1.80 1.62 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.75 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.36 1.00 7.81 * Residues marked with a * may have inaccurate shift predictions.