NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 66 K 4.2016 8.1727 121.7876 55.7178 32.7319 174.7180 67 I 3.7373 8.3296 127.7416 60.9470 38.2170 170.6527 68 V 4.2855 9.2344 123.3127 60.5376 34.4185 174.7634 69 K 4.7223 8.1117 118.9364 54.5800 36.7115 175.5672 70 Y 4.0976 7.9557 124.5198 56.7683 39.0092 175.2173 71 P 4.2508 0.0000 0.0000 60.3717 30.8338 174.4883 72 D 3.8700 8.0173 120.4281 55.0064 42.0023 175.1031 73 P 4.5526 0.0000 0.0000 63.4160 32.1401 178.1009 74 I 3.7041 7.6649 118.8083 63.7899 38.0780 177.4565 75 L 4.1559 7.6483 117.9833 56.6015 41.4450 178.1955 76 R 4.6394 7.5888 116.2494 55.7349 30.8909 175.4440 77 R 4.5697 7.7610 117.5762 54.4254 31.9634 176.3274 78 R 4.0328 8.4452 123.3404 56.1254 30.3538 176.4128 79 S 4.4939 8.5623 123.1869 58.4709 63.6941 173.8733 80 E 4.7156 8.8014 122.0535 54.5770 32.0800 175.4403 81 E 4.5741 8.5790 121.8513 56.1776 30.1791 177.4115 82 V 3.6744 8.6710 124.2885 63.1500 32.2748 175.6852 83 T 4.3453 8.0937 112.9419 62.4256 70.7404 173.6114 84 N 4.6749 7.8723 119.6934 51.9726 38.8549 175.9315 85 F 4.4498 8.7542 127.8079 55.9835 38.1304 174.7301 86 D 5.1365 7.3030 122.2728 52.3871 42.1420 177.0310 87 D 4.4551 8.8446 116.7067 57.1161 39.7269 177.5593 88 N 4.0886 8.0848 118.6241 56.3416 38.9123 175.8243 89 L 3.8702 7.8715 121.1864 58.4049 42.0942 179.1256 90 K 4.0684 8.2547 118.3690 59.5005 31.8284 179.6492 91 R 3.9356 7.8771 117.9000 59.0562 29.9345 178.7137 92 V 3.6586 7.7007 117.0609 66.2775 31.5656 177.8730 93 V 3.6372 7.9430 116.6459 65.8099 31.5767 177.5649 94 R 4.2321 8.2726 118.8792 59.2247 30.1151 180.9059 95 K 4.4070 8.6355 122.6396 55.6936 31.9556 178.4924 *97 F 4.5001 8.0650 117.7249 57.3035 40.5320 176.3880 98 D 4.6753 8.0308 120.2785 57.7478 41.0101 179.0194 99 I 3.5817 7.8939 117.9856 62.8228 37.7588 177.6736 *101 Y 4.9037 8.0417 119.5256 58.3288 39.4011 177.2324 102 E 4.1479 8.4565 118.2155 58.3515 29.8030 177.1914 103 S 4.7771 8.2469 114.8827 58.3468 63.2647 174.2652 104 K 4.6307 7.7507 116.6539 57.2804 30.2157 174.9623 105 G 4.0016 7.2804 105.6260 43.6642 0.0000 174.7100 106 I 2.9830 7.9354 123.0249 62.5526 38.3098 175.2511 107 G 4.6526 7.0132 104.0459 43.3778 0.0000 171.6121 108 L 4.5095 8.3861 117.9410 54.0814 46.2236 173.6545 109 S 5.0930 8.1864 119.1574 56.2161 66.2144 175.1188 110 A 3.9418 8.5492 123.3675 54.8104 18.4653 178.5147 111 P 4.5316 0.0000 0.0000 64.9412 31.7125 178.2244 112 Q 4.1970 7.9006 116.3061 57.5961 28.6677 177.1699 113 V 4.7422 7.0548 111.1463 59.9121 32.6373 174.6448 114 N 4.0885 8.0962 114.1335 54.9646 37.6214 174.6434 115 I 4.3740 7.3355 117.4235 59.2579 39.7690 176.9544 116 S 4.5850 8.4037 126.1632 58.4068 60.2386 173.3137 117 K 4.7680 7.5504 118.0513 54.4517 36.0947 179.2704 118 R 4.3778 8.7244 123.4934 55.5607 28.2618 174.9976 119 I 4.9718 7.6320 121.5447 59.3535 41.7742 174.8497 120 I 5.0105 8.4051 125.3560 59.9372 41.6604 174.7648 121 V 5.0945 8.6731 117.9687 60.1170 36.6488 173.8967 122 W 5.1146 8.7606 118.6283 56.4869 32.0582 172.5985 123 N 5.3839 9.0919 118.0066 52.4564 40.6675 174.4585 124 A 4.3536 9.4035 129.6446 54.7436 18.8959 177.3631 125 L 4.9395 8.8492 115.8640 53.4241 41.9538 176.6697 126 Y 4.6177 8.6980 116.8307 58.3952 39.2545 177.6688 127 E 3.6977 7.5287 119.9539 59.3284 30.0163 177.8946 128 K 4.5639 7.5233 115.5214 54.6492 33.0666 175.2011 129 R 3.6701 7.2701 113.9017 55.5714 30.1869 176.8751 130 K 4.5264 8.2027 120.0545 54.6117 36.3426 175.5473 131 E 3.8345 8.7020 121.6993 58.1081 29.8173 177.6476 132 E 3.6820 8.6557 119.3621 57.2030 27.6639 174.5717 133 N 4.6449 8.2397 116.4381 53.9230 39.4618 174.4387 134 E 4.6168 7.8382 117.0197 56.3661 30.9607 175.8087 135 R 4.3958 8.7855 122.4380 54.2486 33.1681 174.8655 136 I 4.8269 7.4954 123.0744 59.4320 40.7617 175.2715 137 F 4.7309 9.0510 124.0162 56.2229 42.6647 173.5912 138 I 4.3669 9.1741 125.4366 60.3562 39.1144 175.8198 139 N 4.2621 8.4274 122.0798 53.9502 36.3120 171.8026 140 P 5.2588 0.0000 0.0000 63.1857 33.7485 177.3585 141 S 4.7841 8.9235 113.5647 57.3097 66.3140 172.7019 142 I 4.5124 8.1998 127.5201 60.2881 37.5318 175.7520 143 V 4.2903 8.7864 120.4682 62.0198 33.2090 175.8977 144 E 4.8291 7.5905 117.2455 55.6104 33.6769 174.4102 145 Q 5.0801 8.4889 120.1603 53.9319 32.9143 175.2240 146 S 4.3796 8.7892 116.9760 58.3715 63.7499 174.2531 147 L 4.1466 8.4323 119.7542 56.8868 42.2556 177.7312 148 V 3.5393 7.7179 118.4875 63.8057 32.0218 175.6910 149 K 5.1158 8.6111 126.5936 54.9968 35.0625 175.2016 150 L 4.6673 8.6728 120.1768 54.6929 44.1946 174.5364 151 K 5.6068 8.4314 119.6944 54.6308 33.5337 175.8521 152 L 4.9370 8.2765 123.2725 52.5921 46.5608 175.4220 153 I 4.5358 8.2783 121.3346 61.3370 37.8444 175.5563 154 E 4.7729 9.5499 126.3600 54.6731 33.5257 175.2251 155 G 4.6156 7.9964 107.8921 45.5532 0.0000 170.9728 156 C 4.5466 8.0130 116.4752 58.2375 34.1412 174.3925 157 L 4.2664 8.5540 125.7453 56.3793 41.6034 177.6288 158 S 4.6044 8.0142 114.3303 58.5206 63.7111 173.3124 159 F 4.8997 7.9688 118.6881 54.6847 39.2589 172.5757 160 P 4.4071 0.0000 0.0000 63.2185 31.9528 177.1885 161 G 4.0724 8.8624 108.8959 46.2249 0.0000 172.6958 162 I 4.5482 7.5070 119.0715 59.2037 38.9668 175.0451 163 E 5.0913 8.4570 123.7500 55.0435 33.5467 174.7584 164 G 4.0680 8.5559 107.7711 45.3041 0.0000 172.4603 165 K 5.3787 8.6577 120.5936 55.4201 33.0142 177.1272 166 V 4.4236 8.1954 122.8430 61.0370 35.3352 173.4185 167 E 4.8813 8.7661 128.1343 55.3037 30.5073 175.2851 168 R 4.8959 8.7194 125.1527 53.3812 35.1020 172.8335 169 P 4.5786 0.0000 0.0000 63.6344 31.1264 176.2938 170 S 4.1896 9.1364 117.8199 61.1121 62.7521 173.7591 171 I 4.9414 7.5182 120.0446 59.6006 40.1709 175.1086 172 V 4.7729 8.7721 117.7463 59.7544 36.2659 174.3379 173 S 4.8221 9.4724 121.3210 57.2126 63.7496 172.9215 174 I 5.1115 8.6403 120.4286 58.9881 41.3009 174.3558 175 S 5.3702 8.6416 117.2467 57.2697 66.6208 172.5368 176 Y 5.5051 7.9992 118.4268 57.0318 41.8965 172.2514 177 Y 5.1648 9.7242 116.5246 56.3368 42.1452 176.2322 178 D 5.0098 8.9184 123.2331 51.9497 41.1267 176.8542 179 I 3.8024 8.3988 118.6158 63.9103 37.7277 176.0010 180 N 4.4881 8.4039 115.5212 53.1259 39.0648 174.8475 181 G 2.2130 7.1946 104.8280 44.6448 0.0000 173.3928 182 Y 4.7494 8.1935 120.3205 56.9720 39.0766 175.5251 183 K 3.9472 8.6748 125.3238 57.0835 33.4982 175.4121 184 H 4.6299 8.0748 119.1557 54.4391 33.6724 172.5866 185 L 5.2147 8.3275 121.2538 52.9224 44.3330 175.7641 186 K 4.7225 8.9233 123.3479 55.0518 36.4984 174.4839 187 I 4.8257 8.3634 125.2363 59.6210 39.2162 174.8167 188 L 4.8127 8.7363 127.6708 53.0495 43.8474 175.9349 189 K 4.7618 8.2149 121.1826 54.4522 36.5865 178.8573 190 G 3.7799 8.4363 110.0731 46.9803 0.0000 176.5354 191 I 3.5559 8.5123 122.6655 64.6739 36.9038 177.2159 192 H 3.9697 8.1289 116.3764 58.9188 28.6707 177.5129 193 S 4.0295 8.0245 114.2662 61.3523 62.3784 175.8071 194 R 3.7890 7.7144 121.2143 59.7064 29.8644 178.4598 195 I 3.3699 7.7223 119.7417 64.0114 36.8459 178.2110 196 F 3.6967 7.5467 121.3555 61.4392 39.3361 177.2955 197 Q 4.0487 8.0108 116.8089 58.6680 28.3489 177.9207 198 H 3.9962 7.9409 119.3258 59.4128 29.7133 177.2361 199 E 4.0472 8.2121 120.2484 59.1926 29.3647 179.2633 200 F 3.9967 8.1960 121.2230 61.0131 39.3089 176.9985 201 D 4.2101 7.9841 118.5199 57.5746 40.6190 178.1189 202 H 4.1107 7.8226 116.4594 59.1842 28.7381 177.4969 203 L 4.1092 7.6649 119.3629 56.4018 41.1516 178.0348 204 N 4.6706 7.4647 114.3671 52.5022 38.8775 174.9613 205 G 3.9344 7.8285 105.2960 46.2974 0.0000 173.7058 206 T 4.6904 7.9837 115.9302 61.3415 70.4081 174.2881 207 L 4.8032 8.3512 124.8625 52.5605 44.3368 177.6148 208 F 4.3505 8.8884 115.9907 58.3876 37.8767 176.2525 209 I 3.5810 7.0783 113.9023 61.2967 37.8853 176.2325 210 D 4.4360 8.4409 122.0818 56.1221 41.1952 177.0909 211 K 4.2853 6.9864 118.7000 54.4738 31.3069 175.8790 *213 T 4.0900 7.4425 112.0839 61.1337 71.4679 174.6976 214 Q 3.8633 8.3669 122.4944 59.2559 29.0960 178.9742 215 V 3.5460 7.5955 118.9357 66.1312 31.5301 177.6034 216 D 4.3985 7.4840 115.7200 56.6820 40.2142 178.5949 217 K 3.9459 8.1840 119.7069 59.1490 31.9393 179.2138 218 K 3.8722 7.7276 119.7845 59.3384 32.0834 178.5529 219 K 4.1250 7.7260 116.5949 57.7895 32.3786 176.8528 220 V 4.4535 7.9294 115.4054 61.1607 33.2028 177.4318 221 R 3.8732 7.8432 118.0519 59.7644 29.8175 176.7936 222 P 4.1246 0.0000 0.0000 65.7703 31.4018 178.2598 223 K 3.9459 8.0817 116.2793 59.6396 31.9009 179.1176 224 L 4.1549 7.7245 117.4382 58.0710 41.9251 178.9955 225 N 4.5280 8.7557 116.5277 56.4350 38.6302 176.9583 226 E 3.9640 8.8613 120.4261 59.9341 29.7920 179.9075 227 L 4.1822 8.1471 118.1762 57.5320 41.4137 179.5686 228 I 3.8242 7.6152 119.4570 64.2495 37.2766 177.8146 229 R 3.9952 8.1515 118.5410 59.2476 29.7456 178.0929 230 D 4.4631 8.2377 117.6659 58.1748 40.8943 179.0959 231 Y 4.0112 7.7247 117.5787 60.5014 38.4895 177.8311 232 K 4.0418 8.3827 119.2691 58.3378 32.6413 178.1372 233 A 4.4688 7.6017 123.9411 52.7482 17.1582 177.0089 234 T 4.2713 7.4816 117.7819 65.9182 70.9393 176.6124 235 H 4.8222 7.1635 116.3208 56.2187 29.0746 176.6073 236 S 4.5266 7.7799 115.8437 56.9435 60.6301 173.0836 237 E 4.4705 8.1412 119.7621 55.3486 30.5454 175.6923 238 E 4.7045 7.6380 118.0762 53.6226 31.9721 174.8791 239 P 4.4485 0.0000 0.0000 64.1373 31.7880 177.5128 240 L 4.0331 7.5099 117.6657 55.2723 40.8837 176.5638 241 E 4.4270 7.8694 118.4148 55.0995 31.4178 175.2638 242 H 4.8162 8.5643 121.3680 54.7655 30.9871 175.1376 243 H 4.3676 8.4062 118.8434 56.8358 29.8572 172.6653 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 66 K 8.17 4.20 0.00 1.85 1.78 0.00 1.58 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.50 7.81 67 I 8.33 3.74 1.86 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 1.40 1.01 0.91 0.00 0.00 68 V 9.23 4.29 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 0.81 0.00 0.00 0.94 0.00 0.00 69 K 8.11 4.72 0.00 1.64 1.57 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.78 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.41 7.81 70 Y 7.96 4.10 0.00 1.66 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 0.00 0.00 0.00 0.00 71 P 0.00 4.25 0.00 1.50 0.49 0.00 2.81 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.27 0.00 72 D 8.02 3.87 0.00 2.72 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 73 P 0.00 4.55 0.00 2.19 2.00 0.00 3.64 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.02 0.00 74 I 7.66 3.70 1.86 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 1.28 1.43 0.94 0.00 0.00 75 L 7.65 4.16 0.00 2.02 1.75 0.90 0.78 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 76 R 7.59 4.64 0.00 1.87 1.90 0.00 3.33 0.00 0.00 3.43 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 77 R 7.76 4.57 0.00 1.83 1.82 0.00 3.15 0.00 0.00 3.14 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 78 R 8.45 4.03 0.00 1.79 1.84 0.00 3.23 0.00 0.00 3.21 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 79 S 8.56 4.49 0.00 3.94 3.74 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 80 E 8.80 4.72 0.00 2.01 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 0.00 2.23 2.25 0.00 81 E 8.58 4.57 0.00 1.82 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 2.33 2.55 0.00 82 V 8.67 3.67 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 0.12 0.00 0.00 0.78 0.00 0.00 83 T 8.09 4.35 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 1.23 0.00 0.00 84 N 7.87 4.67 0.00 2.62 3.09 0.00 0.00 6.86 7.45 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 85 F 8.75 4.45 0.00 2.89 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 D 7.30 5.14 0.00 2.77 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 87 D 8.84 4.46 0.00 2.93 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 88 N 8.08 4.09 0.00 2.84 3.03 0.00 0.00 6.77 6.66 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 89 L 7.87 3.87 0.00 1.65 1.72 0.71 1.08 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 90 K 8.25 4.07 0.00 2.03 1.88 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.51 7.81 91 R 7.88 3.94 0.00 2.04 1.98 0.00 3.15 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.69 0.00 92 V 7.70 3.66 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 0.74 0.00 0.00 0.94 0.00 0.00 93 V 7.94 3.64 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.90 0.00 0.00 94 R 8.27 4.23 0.00 2.22 2.02 0.00 3.33 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.76 0.00 95 K 8.64 4.41 0.00 1.95 1.76 0.00 1.79 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.50 7.81 *97 F 8.06 4.50 0.00 3.32 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 98 D 8.03 4.68 0.00 3.01 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 99 I 7.89 3.58 1.84 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.62 0.91 0.00 0.00 *101 Y 8.04 4.90 0.00 3.30 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 E 8.46 4.15 0.00 2.05 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 0.00 2.38 2.34 0.00 103 S 8.25 4.78 0.00 4.00 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 0.00 104 K 7.75 4.63 0.00 1.98 2.02 0.00 1.74 0.00 0.00 1.78 0.00 0.00 3.11 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.58 7.81 105 G 7.28 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 0.00 106 I 7.94 2.98 1.70 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 1.26 1.50 0.74 0.00 0.00 107 G 7.01 4.65 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 0.00 108 L 8.39 4.51 0.00 1.61 1.27 0.82 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 109 S 8.19 5.09 0.00 3.87 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 0.00 110 A 8.55 3.94 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 0.00 111 P 0.00 4.53 0.00 2.16 2.09 0.00 3.75 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 2.07 2.03 0.00 112 Q 7.90 4.20 0.00 2.29 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.91 0.00 0.00 0.00 0.00 0.00 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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 0.51 0.00 0.00 0.43 0.00 0.00 122 W 8.76 5.11 0.00 3.52 3.30 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 0.00 123 N 9.09 5.38 0.00 2.98 2.97 0.00 0.00 7.18 7.25 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 0.00 124 A 9.40 4.35 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 0.00 125 L 8.85 4.94 0.00 1.70 1.61 1.08 0.68 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 0.00 126 Y 8.70 4.62 0.00 3.50 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 0.00 127 E 7.53 3.70 0.00 1.88 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 2.08 2.23 0.00 128 K 7.52 4.56 0.00 1.67 1.65 0.00 1.61 0.00 0.00 1.90 0.00 0.00 3.21 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.36 7.81 129 R 7.27 3.67 0.00 1.07 0.66 0.00 2.84 0.00 0.00 2.80 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.47 0.00 130 K 8.20 4.53 0.00 1.83 1.68 0.00 1.76 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.41 7.81 131 E 8.70 3.83 0.00 1.96 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 2.36 2.26 0.00 132 E 8.66 3.68 0.00 2.06 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 2.20 2.31 0.00 133 N 8.24 4.64 0.00 2.67 2.96 0.00 0.00 7.11 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 E 7.84 4.62 0.00 1.69 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 1.89 2.38 0.00 135 R 8.79 4.40 0.00 0.68 1.21 0.00 3.11 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.07 0.00 136 I 7.50 4.83 1.71 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 1.44 0.65 0.89 0.00 0.00 137 F 9.05 4.73 0.00 3.03 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 2.03 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 2.12 2.21 0.00 155 G 8.00 4.62 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 0.00 0.00 0.00 156 C 8.01 4.55 0.00 2.13 2.87 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 0.00 0.00 0.00 157 L 8.55 4.27 0.00 1.60 1.67 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 158 S 8.01 4.60 0.00 3.92 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 0.00 159 F 7.97 4.90 0.00 3.10 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 0.00 160 P 0.00 4.41 0.00 2.24 2.01 0.00 3.84 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.11 0.00 161 G 8.86 4.07 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 0.00 0.00 0.00 162 I 7.51 4.55 2.10 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.01 0.85 0.00 0.00 163 E 8.46 5.09 0.00 1.81 1.82 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 2.26 2.36 0.00 164 G 8.56 4.07 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 0.00 0.00 0.00 165 K 8.66 5.38 0.00 1.65 1.73 0.00 1.60 0.00 0.00 1.47 0.00 0.00 2.75 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.33 7.81 166 V 8.20 4.42 2.29 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 1.06 0.00 0.00 0.98 0.00 0.00 167 E 8.77 4.88 0.00 2.00 1.82 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 2.23 2.32 0.00 168 R 8.72 4.90 0.00 1.77 1.95 0.00 3.20 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 169 P 0.00 4.58 0.00 2.06 2.24 0.00 3.86 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.99 0.00 170 S 9.14 4.19 0.00 3.89 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 I 7.52 4.94 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.65 0.91 0.00 0.00 172 V 8.77 4.77 1.91 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 0.70 0.00 0.00 0.83 0.00 0.00 173 S 9.47 4.82 0.00 3.87 3.75 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 0.00 174 I 8.64 5.11 1.60 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.59 0.13 0.00 0.00 175 S 8.64 5.37 0.00 3.82 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 Y 8.00 5.51 0.00 3.51 3.33 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 0.00 177 Y 9.72 5.16 0.00 3.24 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 0.00 178 D 8.92 5.01 0.00 2.86 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 0.00 179 I 8.40 3.80 1.91 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 1.46 0.73 0.95 0.00 0.00 180 N 8.40 4.49 0.00 2.44 2.46 0.00 0.00 7.03 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 G 7.19 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 Y 8.19 4.75 0.00 3.10 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 0.00 183 K 8.67 3.95 0.00 1.47 1.48 0.00 1.43 0.00 0.00 1.58 0.00 0.00 2.71 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.09 0.78 7.81 184 H 8.07 4.63 0.00 1.87 2.54 0.00 5.61 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 L 8.33 5.21 0.00 1.40 1.52 0.84 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 186 K 8.92 4.72 0.00 2.10 1.68 0.00 1.90 0.00 0.00 1.79 0.00 0.00 2.98 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.42 1.53 7.81 187 I 8.36 4.83 1.87 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 1.34 1.03 0.89 0.00 0.00 188 L 8.74 4.81 0.00 1.43 1.55 0.67 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 189 K 8.21 4.76 0.00 1.59 1.66 0.00 1.88 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.33 1.44 7.81 190 G 8.44 3.78 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 0.00 0.00 0.00 191 I 8.51 3.56 1.73 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 1.61 0.83 0.80 0.00 0.00 192 H 8.13 3.97 0.00 3.28 3.70 0.00 5.63 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 0.00 193 S 8.02 4.03 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 0.00 194 R 7.71 3.79 0.00 2.02 1.81 0.00 3.29 0.00 0.00 3.12 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.75 0.00 195 I 7.72 3.37 0.56 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.42 0.33 0.00 0.00 196 F 7.55 3.70 0.00 2.91 3.03 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 0.00 197 Q 8.01 4.05 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.59 0.00 0.00 0.00 0.00 0.00 2.50 2.63 0.00 198 H 7.94 4.00 0.00 3.17 3.29 0.00 5.79 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 0.00 199 E 8.21 4.05 0.00 1.95 1.97 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 2.51 2.51 0.00 200 F 8.20 4.00 0.00 2.44 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 0.00 201 D 7.98 4.21 0.00 3.01 2.77 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 0.00 202 H 7.82 4.11 0.00 3.29 3.30 0.00 5.61 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 0.00 203 L 7.66 4.11 0.00 1.42 1.55 0.94 0.40 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 0.00 204 N 7.46 4.67 0.00 2.48 2.69 0.00 0.00 6.96 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 205 G 7.83 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 0.00 206 T 7.98 4.69 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 207 L 8.35 4.80 0.00 1.79 1.59 1.01 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 208 F 8.89 4.35 0.00 3.12 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 0.00 209 I 7.08 3.58 1.44 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.37 -0.20 0.00 0.00 210 D 8.44 4.44 0.00 2.64 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 0.00 211 K 6.99 4.29 0.00 1.71 1.71 0.00 1.83 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.30 7.81 *213 T 7.44 4.09 4.20 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 1.17 0.00 0.00 214 Q 8.37 3.86 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.96 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 215 V 7.60 3.55 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.91 0.00 0.00 216 D 7.48 4.40 0.00 2.64 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 0.00 217 K 8.18 3.95 0.00 1.87 1.78 0.00 1.56 0.00 0.00 1.36 0.00 0.00 2.67 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.29 1.48 7.81 218 K 7.73 3.87 0.00 1.85 1.89 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.42 7.81 219 K 7.73 4.12 0.00 1.99 1.78 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.58 7.81 220 V 7.93 4.45 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 0.62 0.00 0.00 0.89 0.00 0.00 221 R 7.84 3.87 0.00 2.04 2.02 0.00 3.17 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 222 P 0.00 4.12 0.00 2.09 2.10 0.00 3.87 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 223 K 8.08 3.95 0.00 2.00 1.93 0.00 1.69 0.00 0.00 1.83 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.58 1.58 7.81 224 L 7.72 4.15 0.00 1.93 1.85 0.94 0.78 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 0.00 225 N 8.76 4.53 0.00 2.95 2.91 0.00 0.00 7.06 7.68 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 0.00 226 E 8.86 3.96 0.00 2.30 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.57 0.00 227 L 8.15 4.18 0.00 2.12 1.86 1.06 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 228 I 7.62 3.82 1.98 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 1.47 0.91 0.86 0.00 0.00 229 R 8.15 4.00 0.00 2.10 1.99 0.00 3.36 0.00 0.00 3.37 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.70 0.00 230 D 8.24 4.46 0.00 2.93 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 231 Y 7.72 4.01 0.00 2.91 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 0.00 232 K 8.38 4.04 0.00 1.97 1.83 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.74 1.62 7.81 233 A 7.60 4.47 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 234 T 7.48 4.27 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 235 H 7.16 4.82 0.00 3.25 3.23 0.00 5.63 0.00 0.00 0.00 0.00 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 236 S 7.78 4.53 0.00 3.91 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 0.00 237 E 8.14 4.47 0.00 1.97 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 2.21 2.25 0.00 238 E 7.64 4.70 0.00 2.06 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 2.29 2.18 0.00 239 P 0.00 4.45 0.00 2.20 2.30 0.00 3.67 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.97 0.00 240 L 7.51 4.03 0.00 1.59 1.73 0.92 0.83 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 0.00 241 E 7.87 4.43 0.00 1.89 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.36 0.00 242 H 8.56 4.82 0.00 3.12 3.28 0.00 5.87 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 0.00 243 H 8.41 4.37 0.00 3.02 3.13 0.00 5.95 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 * Residues marked with a * may have inaccurate shift predictions.