NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 H 4.8081 8.4444 117.8552 56.2802 29.3703 171.8408 -1 H 4.3620 8.0347 121.2485 54.6710 31.2913 174.2883 0 G 3.8957 8.1751 114.2680 45.2168 0.0000 173.5291 1 S 4.4045 8.0858 113.5685 56.0223 63.9680 175.1142 2 R 3.9409 8.5034 128.9965 59.1326 29.9595 178.5916 3 E 4.0416 8.0906 117.9086 59.2179 29.6596 179.0736 4 L 4.0647 7.9139 118.9843 57.7016 41.6104 179.5707 5 V 3.5928 7.8765 118.2028 66.0733 31.3681 177.7134 6 E 3.9135 8.1927 118.9007 59.3538 29.4673 178.6440 7 I 3.7451 7.8622 118.7205 64.0679 37.9784 177.9391 8 I 3.7604 7.9440 120.8419 64.1153 36.6849 178.2890 9 K 4.0377 8.3246 120.2617 59.4585 32.1067 178.7229 10 G 3.7867 8.1340 105.1836 47.7680 0.0000 175.5828 11 I 3.8762 7.9947 122.2225 63.3932 37.4216 177.8603 12 G 4.2806 8.0087 103.8724 46.3897 0.0000 174.3642 13 I 3.7247 8.1538 119.0851 64.1285 36.4263 178.5812 14 E 3.8960 8.1784 118.3503 59.3083 29.3643 179.4034 15 G 3.5567 7.9296 106.4816 47.3788 0.0000 175.5937 16 A 4.0212 7.9541 123.2603 54.7422 18.4361 179.5140 17 K 3.8509 8.2432 118.5266 59.6451 32.1315 178.7730 18 E 3.7764 7.8776 118.4743 59.3420 29.3823 179.4873 19 V 3.5461 7.6671 118.1231 66.1293 31.3859 177.7784 20 E 3.8616 8.2518 117.3378 59.1118 29.3758 178.5153 21 E 3.2931 7.5267 116.0107 56.4272 30.1965 177.4440 22 K 4.4494 7.9080 116.0388 55.7844 33.9903 176.6329 23 V 4.1279 7.5896 116.9912 63.9616 33.6648 175.4754 24 D 4.5157 7.9253 120.2241 54.4125 41.4325 176.7758 25 R 4.4389 8.7766 125.9624 58.8345 30.3189 178.8060 26 Q 3.9563 8.5538 118.5680 58.5813 28.5512 178.1140 27 F 3.8793 8.1710 120.5518 61.4359 39.4387 176.6248 28 Y 4.2563 8.2077 118.4768 60.5157 38.7162 177.2152 29 A 2.5800 7.4133 121.7309 54.6816 18.2087 179.6889 30 L 4.1525 7.6238 117.1949 57.9615 41.4703 179.3469 31 Q 3.7303 7.6721 118.7225 59.1928 29.0048 177.8027 32 Y 3.9918 7.6920 120.3108 60.5968 38.9137 177.4766 33 L 3.9454 8.0230 121.3532 58.0751 41.9450 178.5098 34 F 3.0732 7.7082 119.7867 60.9524 39.2558 176.8083 35 R 3.7389 7.1751 114.8352 57.4018 30.0134 176.3686 36 H 4.7482 7.9106 117.3413 54.6544 30.2471 172.5190 37 Q 4.6407 7.3696 116.5579 53.5568 31.8473 173.4305 38 D 4.3137 8.4283 122.5268 53.8106 42.7292 175.2753 39 P 4.3831 0.0000 0.0000 65.8530 31.5745 178.3984 40 E 3.9756 8.1783 117.3301 59.5942 29.6620 178.2966 41 M 4.0531 8.6410 118.4548 58.4624 32.2611 177.6152 42 F 4.2445 8.7672 121.2250 61.6726 39.5477 177.1678 43 I 3.2974 7.7827 118.9663 64.3304 36.8458 178.6871 44 K 4.0624 8.0243 118.9981 59.3577 31.7992 179.4457 45 L 3.9936 8.3620 119.8090 57.7692 41.5512 179.6735 46 V 3.5699 7.7580 118.1855 65.9432 31.5104 178.0764 47 I 3.6838 7.7625 119.2334 64.4633 36.8033 178.2481 48 A 3.9283 7.9518 120.2179 55.1383 18.5028 178.8568 49 N 4.3674 8.6435 115.8970 56.9075 38.9761 177.2425 50 S 4.6374 8.2376 116.5757 61.8073 62.7460 176.6014 51 L 4.3164 7.8430 119.6853 56.6079 41.3296 178.2359 52 V 4.5154 7.4980 110.2251 61.2726 32.6915 177.0748 53 S 4.4751 7.9478 118.5090 56.8480 61.1909 172.8757 54 Y 4.6964 6.7884 117.9734 56.0725 41.6901 175.5041 55 Q 3.1638 8.7067 118.0157 57.0755 26.2791 173.8752 56 L 3.9252 7.2872 116.6128 55.0280 42.7946 177.4464 57 T 4.4518 7.8837 109.2328 61.0520 68.9911 174.4120 58 G 4.4285 7.1088 109.1962 45.6685 0.0000 174.2931 59 R 4.3134 8.2064 118.1395 55.5443 31.9518 177.7269 60 G 4.0515 9.0263 112.3203 49.0594 0.0000 176.4187 61 E 4.3248 8.4135 120.4098 60.9703 29.7486 180.5905 62 D 4.8204 8.3523 119.3250 56.9982 40.9538 178.3464 63 W 4.5393 8.7243 129.1366 60.6517 30.7515 178.1254 64 W 3.6052 8.4719 118.7209 59.3246 28.3330 178.6544 65 W 4.3125 8.4374 119.1322 59.6075 28.4848 178.1597 66 E 4.0652 8.9175 119.8588 59.2623 29.1479 178.4681 67 F 3.9861 8.2966 120.8574 61.3523 39.3883 176.9841 68 A 3.7591 8.1993 120.1602 55.1934 17.9712 179.8555 69 R 3.9337 8.2047 115.8844 59.4970 30.2029 178.3813 70 Y 3.7792 7.7236 118.3437 60.1743 39.1689 177.2506 71 F 4.3145 7.6484 116.5203 56.6119 39.3185 175.8762 72 S 4.4401 7.2983 116.1662 59.5692 62.8708 174.3914 73 G 3.8104 8.9805 113.5134 45.9062 0.0000 172.6522 74 R 4.3621 7.6689 121.4278 54.5374 31.5779 176.0632 *75 E 4.2767 8.6284 121.5729 55.1492 30.5086 173.1355 76 V 4.4521 8.3502 123.6694 60.1866 33.0690 173.1853 77 D 4.4923 8.1172 127.1491 54.7971 42.5959 175.7225 78 S 4.6546 7.7709 109.9346 57.3118 64.3569 175.0865 79 I 3.9572 8.6009 130.3938 64.2965 37.1021 178.1159 80 W 4.6116 9.5349 132.1636 61.1795 30.1341 178.9148 81 K 3.8220 8.2315 123.0751 59.5867 31.0887 180.8274 82 A 4.4380 8.3777 122.2497 55.5163 18.2959 179.4590 83 Y 4.1419 8.7625 115.3332 60.9814 37.7222 178.6461 84 G 3.6861 8.1106 106.0271 47.6361 0.0000 174.9090 85 E 4.3292 7.6303 118.2376 58.3159 29.9147 178.3884 86 F 3.9717 8.3799 120.9707 61.1618 39.4631 177.2789 87 L 3.5803 8.0332 118.6199 57.3417 41.2718 177.9010 88 P 4.2554 0.0000 0.0000 64.8357 31.3481 177.7846 89 K 4.3779 7.2842 113.6349 55.3848 32.5248 177.0332 90 S 4.5255 6.9787 114.6393 57.7492 63.9806 174.4902 91 K 4.0767 9.5638 123.3036 59.1528 32.3703 177.7049 92 N 4.7279 8.4684 114.1027 53.6176 39.6474 174.4741 93 N 4.6531 7.5638 116.0920 52.2062 38.9905 173.8197 94 R 4.4270 7.9932 111.4117 55.5555 30.4880 176.5451 95 R 4.4242 7.5725 116.3602 55.9999 32.1181 175.5799 96 L 3.6722 8.3453 117.9910 55.9042 39.4076 177.3083 97 I 3.6820 7.7510 120.8389 64.2544 37.0954 177.2886 98 E 3.9358 8.1540 119.5111 59.3376 29.7360 178.5709 99 A 4.0583 7.9683 120.2568 55.2120 18.4988 179.6358 100 K 4.0627 8.2327 117.0004 59.5186 32.1149 179.6598 101 L 4.2134 8.3888 119.7134 57.9363 41.6210 179.1948 102 N 4.2809 8.3886 116.4507 56.4125 38.5402 177.7022 103 R 3.9135 7.8792 119.2087 59.2607 30.1703 179.1381 104 I 3.6837 7.7844 119.7287 64.0354 35.9760 178.3391 105 R 3.1978 7.7610 119.6282 59.1100 29.5082 178.5517 106 K 3.8768 7.4144 116.7691 59.6080 32.3374 179.4543 107 V 3.9092 7.7841 120.8800 64.8835 31.4209 178.6726 108 E 4.1070 8.3394 119.6734 61.0274 29.2294 183.5906 109 G 3.8512 7.3101 105.9464 47.6799 0.0000 175.0120 110 F 4.4181 8.2809 123.2667 61.1288 39.4206 177.1143 111 L 3.7561 8.3224 118.6454 57.7470 41.1446 179.5983 112 S 4.1938 8.1075 114.7522 61.6569 62.7946 176.4251 113 T 4.0333 7.5874 110.7192 62.5461 69.0873 174.5741 114 L 4.5294 7.1136 122.3794 53.7939 42.9541 177.1114 115 T 4.4556 9.0742 114.4749 60.3401 72.0645 175.6663 116 L 4.1684 8.3383 121.1266 58.1035 41.9095 178.5641 117 K 3.9900 8.0434 119.4366 59.3364 32.1680 178.2675 118 D 4.2481 8.0361 118.9724 57.4340 40.6451 178.9265 119 L 4.4342 8.0036 119.2287 57.9126 41.7184 179.0718 120 E 3.2240 8.5869 119.5198 58.7843 29.1204 179.1843 121 G 3.4872 7.9626 105.3302 48.0670 0.0000 175.0674 122 Y 4.5530 8.2233 119.7372 60.8922 37.6068 177.9807 123 Y 4.7787 8.8134 120.3659 60.8987 39.0404 177.9933 124 K 4.0554 8.0782 117.9932 58.0610 33.7645 177.1589 125 N 5.1251 7.9143 116.4229 51.1566 39.6150 175.2472 126 M 4.4348 8.0538 119.9101 58.3268 32.5538 178.7145 127 K 4.4250 8.2479 118.3475 59.4887 32.1881 179.0907 128 M 4.1641 8.2251 119.2267 58.2824 31.9100 178.3693 129 L 3.1991 8.1039 119.9750 57.5665 42.2040 178.2785 130 W 4.3448 8.2517 128.2664 60.8901 30.6040 178.1335 131 K 3.5377 8.3035 117.8967 59.1710 31.4047 179.3195 132 A 3.8231 7.9685 121.2394 54.8199 18.2308 179.7319 133 L 3.6014 7.9604 118.0789 57.7255 41.7605 179.6522 134 I 3.5581 7.6324 119.9032 64.3249 36.7212 177.9117 135 K 3.7796 7.6361 119.7580 59.6014 32.0765 178.5549 136 I 3.7169 7.6055 113.6871 63.9109 37.6375 177.4556 137 M 4.1657 7.8320 118.8505 54.4998 32.9778 176.0128 138 G 3.7689 7.8455 106.6828 46.9013 0.0000 172.1552 139 S 4.6962 7.5570 113.1721 56.1673 66.8616 174.7017 140 R 4.1746 8.0902 118.0883 55.6838 29.7861 175.7245 141 E 3.9987 8.8328 119.3895 59.2079 29.5331 178.0708 142 D 4.9961 7.9306 114.8708 52.7625 40.0429 176.4245 143 S 4.1281 7.9164 115.3204 59.0055 63.4866 175.0185 144 K 4.0102 8.7120 128.7669 60.6583 32.3950 179.4552 145 T 4.0679 7.8281 116.4755 66.1691 68.4687 176.7258 146 I 3.7224 7.6939 121.4023 64.6424 37.1570 178.9884 147 V 3.6316 7.9165 113.2479 64.1643 31.2630 178.4134 148 F 4.1297 8.4177 120.5702 61.5546 39.1156 177.3767 149 T 3.6968 7.8979 115.5199 66.2994 68.1749 176.8254 150 V 3.5929 7.6512 120.1378 65.8057 31.5846 177.7285 151 K 3.2998 7.7662 119.3134 59.9127 31.9109 178.6148 152 M 3.4072 7.5914 118.9280 57.9049 31.6524 178.3599 153 F 4.1184 8.5636 121.5140 61.3715 39.4670 177.4968 154 G 3.6496 8.5647 105.3052 47.8371 0.0000 175.2754 155 Y 4.4562 8.1241 118.8672 61.0769 37.9262 178.6158 156 A 3.9947 7.9341 121.5531 55.2927 18.3318 179.9415 157 S 3.4025 7.5612 113.9292 61.2612 62.3502 177.0925 158 R 4.5095 7.3852 120.1558 58.6734 28.9085 179.1618 159 I 3.4413 7.4212 119.7933 64.1698 36.8907 178.3194 160 A 3.1486 7.5776 121.5250 54.3632 18.2377 178.2322 161 F 4.9287 8.2001 111.9115 56.6040 39.6583 176.0844 162 S 3.7344 7.3111 116.0134 58.4158 61.0173 171.8701 163 R 4.5006 7.5677 112.0149 55.7016 32.5531 173.6065 164 F 5.1833 8.9424 121.8348 56.6611 40.5395 174.9529 165 I 3.9774 7.7849 129.3569 58.0903 39.2304 173.9807 166 P 3.9450 0.0000 0.0000 62.2862 31.8615 175.9128 167 Y 4.3125 7.9559 117.6786 57.3318 38.7393 174.5266 168 P 4.4086 0.0000 0.0000 62.4990 32.1443 177.3367 169 M 4.0470 8.7567 121.9026 58.8386 32.2095 177.4836 170 E 4.0473 7.9878 116.5637 58.4949 29.9276 176.8967 171 I 2.8453 6.9209 120.3426 59.3287 37.2794 174.2853 172 P 4.4587 0.0000 0.0000 61.8206 32.1081 175.9017 173 I 3.6957 7.9872 119.1338 60.2721 38.4189 173.8002 174 P 4.4006 0.0000 0.0000 62.6757 31.1833 176.7215 175 E 4.3878 8.5735 126.7862 54.8130 28.2685 175.1148 176 D 4.8512 7.8490 124.7786 51.2486 43.1865 176.9942 177 L 4.0226 8.4164 118.6253 58.3117 41.3866 180.0935 178 R 3.9279 8.0522 117.3335 59.1493 30.0577 179.0026 179 I 3.6174 7.8586 119.8878 63.9769 37.0244 178.5761 180 K 3.9950 8.2304 119.5003 59.4133 31.6878 179.1722 181 S 4.0793 8.0819 112.5642 61.4567 62.5020 176.3216 182 V 3.7578 8.0137 122.0511 65.2257 31.0351 178.4231 183 T 3.9301 8.0945 116.8009 66.2323 68.1152 176.7856 184 S 4.7661 8.2209 117.3734 60.6212 62.7117 176.5541 185 K 3.9928 7.7001 121.3448 58.3298 31.7390 178.2739 186 L 4.3524 7.5616 118.5490 55.5042 42.9692 176.2692 187 T 4.4222 6.3616 107.9032 61.1404 70.4297 173.6865 188 Q 4.2751 8.2867 122.5597 56.0937 29.5324 176.2374 189 E 3.5905 7.5290 119.2263 55.7983 30.1585 176.9929 190 K 3.8750 8.6189 125.2854 56.5002 33.2772 175.5698 191 P 4.4754 0.0000 0.0000 66.1121 31.3968 178.6112 192 T 4.0232 8.2450 108.2931 64.9707 68.6324 176.6040 193 K 3.9954 8.0688 120.9817 58.8933 32.3191 178.8741 194 F 4.0855 8.5081 121.2249 61.2940 39.2564 177.2562 195 W 4.1540 8.5463 118.4638 59.2670 28.8653 178.3550 196 M 4.0432 8.1919 118.7844 58.4784 31.6184 178.1505 197 K 3.8937 7.8065 119.2470 59.4224 32.3127 178.7134 198 I 3.6256 7.2910 119.7953 64.3143 37.0483 178.6575 199 G 3.7643 8.4376 106.6857 47.7985 0.0000 175.6224 200 Q 4.0450 8.2514 120.0102 58.8809 28.8349 178.7903 201 E 4.1360 8.2053 118.5965 58.9851 29.6101 178.9298 202 S 4.4171 8.2744 113.2900 58.7158 63.5069 175.5092 203 G 3.8082 8.0199 109.6056 45.4746 0.0000 173.0619 204 V 4.2636 7.5321 120.1383 60.0158 32.5716 173.3656 205 P 4.4016 0.0000 0.0000 62.6642 32.9692 175.3803 206 P 4.2981 0.0000 0.0000 65.9442 31.0295 179.0452 207 L 3.8163 7.6954 116.4071 57.7602 41.5933 178.6311 208 H 4.8474 8.2319 115.9290 58.6160 28.9647 177.5784 209 I 3.6775 7.8957 121.8533 64.2984 36.9505 177.5282 210 D 4.3159 8.2972 119.2527 57.9555 40.7157 179.0029 211 S 4.3802 7.6898 114.0152 61.4751 62.8490 176.3392 212 L 4.2052 7.6102 120.9005 57.4351 41.6526 179.1025 213 I 3.8499 7.4498 119.3615 63.8477 37.4162 178.1440 214 W 3.9682 7.9685 119.3061 59.3610 29.0481 176.7108 215 P 4.4276 0.0000 0.0000 65.7050 30.5329 178.4626 216 L 4.1652 7.8572 116.6936 57.0144 41.6782 178.6179 217 L 4.3215 7.6426 117.0768 56.2818 42.2381 177.8502 218 G 4.2974 8.1328 108.1343 45.7577 0.0000 175.0145 219 N 4.9904 8.6309 113.8913 51.9448 38.8276 173.8672 220 A 4.2691 7.7230 121.9892 51.6523 20.1642 177.0121 221 D 4.6948 8.5242 120.9253 53.0748 41.4086 175.8811 222 L 4.5715 8.2643 126.2047 54.6998 42.0714 178.8677 223 T 3.9137 7.9995 110.7702 63.8370 68.7698 174.0858 224 P 4.3438 0.0000 0.0000 64.2232 31.5968 176.1547 225 L 4.4878 7.6272 118.4850 52.9599 43.0625 176.5813 226 D 4.4390 8.4800 120.5579 54.7566 42.9226 177.4859 227 I 3.6393 8.3530 124.1761 64.3443 38.0867 178.1958 228 E 3.9488 8.1980 119.3638 59.2864 29.3330 179.0712 229 L 3.9844 7.8243 119.9269 58.1008 42.2123 178.9907 230 R 3.9449 8.2482 118.2798 59.3490 30.0029 178.7033 231 N 4.3403 8.5058 116.5878 56.3472 38.4653 177.6465 232 K 4.0256 8.0232 119.5491 59.4510 32.0613 179.4841 233 L 4.0224 8.1017 119.2681 57.9476 41.4899 179.4925 234 M 4.0701 8.2994 118.9848 58.0755 31.7863 178.6770 235 K 3.9739 8.0110 119.9781 59.2716 32.3875 178.6678 236 L 3.9670 8.1729 120.7788 58.4046 41.9907 178.7706 237 T 3.8776 8.0984 115.9503 66.8284 68.4728 175.9055 238 E 3.9261 8.2224 120.7274 59.5014 29.4815 178.9669 239 L 4.1204 7.9855 117.5726 57.3956 41.7559 178.7179 240 L 4.3921 8.0715 116.9829 54.5538 41.7972 177.2083 241 G 3.7857 8.3615 106.8959 46.3444 0.0000 173.9530 242 L 4.0748 8.1189 125.2758 54.5989 42.0394 174.3911 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 -2 H 8.44 4.81 0.00 3.16 3.35 0.00 5.66 0.00 0.00 0.00 0.00 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 H 8.03 4.36 0.00 3.19 3.21 0.00 5.72 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 G 8.18 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 S 8.09 4.40 0.00 3.95 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 2 R 8.50 3.94 0.00 1.95 1.97 0.00 3.22 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.78 0.00 3 E 8.09 4.04 0.00 2.04 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 0.00 2.41 2.41 0.00 4 L 7.91 4.06 0.00 1.78 1.81 1.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 5 V 7.88 3.59 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.98 0.00 0.00 6 E 8.19 3.91 0.00 2.33 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 2.30 2.19 0.00 7 I 7.86 3.75 1.90 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 1.61 1.31 1.03 0.00 0.00 8 I 7.94 3.76 2.04 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.70 0.97 0.00 0.00 9 K 8.32 4.04 0.00 1.88 2.02 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.63 7.81 10 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 11 I 7.99 3.88 2.03 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 1.46 1.34 0.91 0.00 0.00 12 G 8.01 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 0.00 0.00 0.00 0.00 13 I 8.15 3.72 1.90 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.71 0.95 0.00 0.00 14 E 8.18 3.90 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 15 G 7.93 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.95 4.02 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 17 K 8.24 3.85 0.00 1.30 1.62 0.00 0.61 0.00 0.00 1.02 0.00 0.00 2.49 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.00 0.88 7.81 18 E 7.88 3.78 0.00 2.18 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 2.22 2.36 0.00 19 V 7.67 3.55 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 1.11 0.00 0.00 0.99 0.00 0.00 20 E 8.25 3.86 0.00 1.89 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 0.00 2.63 2.58 0.00 21 E 7.53 3.29 0.00 1.69 1.61 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 1.47 1.79 0.00 22 K 7.91 4.45 0.00 1.72 1.75 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.28 1.37 7.81 23 V 7.59 4.13 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 0.81 0.00 0.00 0.92 0.00 0.00 24 D 7.93 4.52 0.00 2.80 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 R 8.78 4.44 0.00 2.09 2.30 0.00 3.33 0.00 0.00 3.94 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.04 0.00 26 Q 8.55 3.96 0.00 2.33 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.80 0.00 0.00 0.00 0.00 0.00 1.79 2.39 0.00 27 F 8.17 3.88 0.00 2.83 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 28 Y 8.21 4.26 0.00 3.21 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 7.41 2.58 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.62 4.15 0.00 1.74 1.74 1.12 0.79 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 31 Q 7.67 3.73 0.00 1.79 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.96 0.00 0.00 0.00 0.00 0.00 2.44 2.33 0.00 32 Y 7.69 3.99 0.00 3.22 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 33 L 8.02 3.95 0.00 1.91 2.01 0.94 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 34 F 7.71 3.07 0.00 1.57 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 35 R 7.18 3.74 0.00 1.47 1.54 0.00 3.13 0.00 0.00 3.12 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.69 0.00 36 H 7.91 4.75 0.00 2.94 3.14 0.00 5.85 0.00 0.00 0.00 0.00 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 7.37 4.64 0.00 2.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.90 0.00 0.00 0.00 0.00 0.00 2.28 2.46 0.00 38 D 8.43 4.31 0.00 2.72 2.53 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 39 P 0.00 4.38 0.00 2.26 2.24 0.00 3.62 0.00 0.00 3.54 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 40 E 8.18 3.98 0.00 2.10 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 0.00 2.44 2.46 0.00 41 M 8.64 4.05 0.00 2.36 2.14 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.62 0.00 42 F 8.77 4.24 0.00 3.09 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 43 I 7.78 3.30 1.93 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.70 1.03 0.00 0.00 44 K 8.02 4.06 0.00 2.00 1.89 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.50 1.65 7.81 45 L 8.36 3.99 0.00 1.90 1.85 0.59 0.10 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 0.00 1.48 1.52 0.00 96 L 8.35 3.67 0.00 1.68 1.69 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 97 I 7.75 3.68 1.84 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.61 0.92 0.00 0.00 98 E 8.15 3.94 0.00 2.06 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 2.41 2.43 0.00 99 A 7.97 4.06 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 0.00 100 K 8.23 4.06 0.00 1.78 1.83 0.00 1.61 0.00 0.00 1.27 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.25 1.41 7.81 101 L 8.39 4.21 0.00 2.04 2.08 1.03 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 102 N 8.39 4.28 0.00 3.04 2.85 0.00 0.00 7.03 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 R 7.88 3.91 0.00 2.10 1.98 0.00 3.17 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 104 I 7.78 3.68 2.06 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.67 0.95 0.00 0.00 105 R 7.76 3.20 0.00 0.84 1.59 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 0.86 0.50 0.00 106 K 7.41 3.88 0.00 1.91 1.79 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.53 7.81 107 V 7.78 3.91 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 0.96 0.00 0.00 1.01 0.00 0.00 108 E 8.34 4.11 0.00 2.00 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 0.00 2.25 2.21 0.00 109 G 7.31 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 F 8.28 4.42 0.00 3.08 3.28 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 0.00 111 L 8.32 3.76 0.00 1.85 1.69 0.96 1.02 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 0.00 112 S 8.11 4.19 0.00 4.00 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 0.00 113 T 7.59 4.03 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 1.25 0.00 0.00 114 L 7.11 4.53 0.00 1.68 1.62 0.66 0.53 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 0.00 115 T 9.07 4.46 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 116 L 8.34 4.17 0.00 1.89 1.82 1.13 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 117 K 8.04 3.99 0.00 1.98 1.78 0.00 1.90 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.50 1.09 7.81 118 D 8.04 4.25 0.00 3.02 2.63 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 0.00 119 L 8.00 4.43 0.00 2.25 2.27 1.10 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 120 E 8.59 3.22 0.00 1.21 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.47 0.00 121 G 7.96 3.49 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 0.00 122 Y 8.22 4.55 0.00 3.33 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 0.00 123 Y 8.81 4.78 0.00 3.01 3.22 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 0.00 124 K 8.08 4.06 0.00 1.91 1.80 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.35 1.48 7.81 125 N 7.91 5.13 0.00 2.81 2.76 0.00 0.00 6.83 8.06 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 0.00 126 M 8.05 4.43 0.00 2.24 2.27 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.34 3.13 0.00 127 K 8.25 4.43 0.00 1.97 2.19 0.00 1.89 0.00 0.00 1.93 0.00 0.00 3.27 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.67 1.64 7.81 128 M 8.23 4.16 0.00 2.34 2.55 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.80 0.00 129 L 8.10 3.20 0.00 1.25 1.65 0.09 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 130 W 8.25 4.34 0.00 3.41 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 0.00 131 K 8.30 3.54 0.00 1.96 1.68 0.00 1.90 0.00 0.00 1.58 0.00 0.00 3.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.09 0.90 7.81 132 A 7.97 3.82 1.07 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 0.00 133 L 7.96 3.60 0.00 1.68 1.58 0.82 0.45 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 0.00 134 I 7.63 3.56 1.69 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.01 0.78 0.00 0.00 135 K 7.64 3.78 0.00 1.71 1.78 0.00 1.74 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.36 7.81 136 I 7.61 3.72 1.76 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 1.52 0.72 0.61 0.00 0.00 137 M 7.83 4.17 0.00 1.95 2.15 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.67 0.00 138 G 7.85 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 0.00 139 S 7.56 4.70 0.00 3.89 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 0.00 140 R 8.09 4.17 0.00 1.76 1.85 0.00 3.27 0.00 0.00 3.34 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.22 0.00 141 E 8.83 4.00 0.00 2.01 2.30 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 1.97 2.20 0.00 142 D 7.93 5.00 0.00 2.83 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 0.00 143 S 7.92 4.13 0.00 3.93 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 0.00 144 K 8.71 4.01 0.00 2.04 2.08 0.00 1.53 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.51 7.81 145 T 7.83 4.07 4.18 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 0.00 0.00 0.00 1.39 0.00 0.00 146 I 7.69 3.72 1.96 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.12 1.08 0.00 0.00 147 V 7.92 3.63 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 0.80 0.00 0.00 1.15 0.00 0.00 148 F 8.42 4.13 0.00 3.14 3.29 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 0.00 149 T 7.90 3.70 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 1.19 0.00 0.00 150 V 7.65 3.59 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.00 0.00 0.00 151 K 7.77 3.30 0.00 1.50 1.44 0.00 1.47 0.00 0.00 1.37 0.00 0.00 3.13 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.78 0.76 7.81 152 M 7.59 3.41 0.00 1.52 1.57 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.97 0.00 153 F 8.56 4.12 0.00 3.10 3.32 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 0.00 154 G 8.56 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 0.00 155 Y 8.12 4.46 0.00 3.11 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 0.00 156 A 7.93 3.99 0.81 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 0.00 0.00 0.00 0.00 0.00 157 S 7.56 3.40 0.00 2.72 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 R 7.39 4.51 0.00 2.48 2.44 0.00 3.22 0.00 0.00 3.60 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.73 0.00 159 I 7.42 3.44 1.68 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.68 -0.11 0.00 0.00 160 A 7.58 3.15 0.83 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 0.00 161 F 8.20 4.93 0.00 3.22 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 0.00 162 S 7.31 3.73 0.00 4.11 3.91 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 0.00 163 R 7.57 4.50 0.00 2.07 2.06 0.00 2.81 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.74 0.00 164 F 8.94 5.18 0.00 2.95 3.02 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 0.00 165 I 7.78 3.98 0.56 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.21 0.53 0.00 0.00 166 P 0.00 3.94 0.00 2.16 2.06 0.00 3.46 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.94 0.00 167 Y 7.96 4.31 0.00 2.90 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 0.00 168 P 0.00 4.41 0.00 2.08 1.98 0.00 3.66 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 169 M 8.76 4.05 0.00 1.96 2.13 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.65 0.00 170 E 7.99 4.05 0.00 1.96 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 2.45 2.46 0.00 171 I 6.92 2.85 1.45 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.13 0.29 0.00 0.00 172 P 0.00 4.46 0.00 2.21 2.10 0.00 3.46 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.06 0.00 173 I 7.99 3.70 1.88 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 1.35 0.85 1.01 0.00 0.00 174 P 0.00 4.40 0.00 2.16 2.07 0.00 3.90 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.09 0.00 175 E 8.57 4.39 0.00 1.99 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 2.28 2.37 0.00 176 D 7.85 4.85 0.00 2.97 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 L 8.42 4.02 0.00 1.76 1.81 0.95 0.89 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 0.00 178 R 8.05 3.93 0.00 1.85 1.81 0.00 3.28 0.00 0.00 3.61 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.90 0.00 179 I 7.86 3.62 2.04 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.06 0.92 0.00 0.00 180 K 8.23 3.99 0.00 2.04 1.88 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.50 1.62 7.81 181 S 8.08 4.08 0.00 3.90 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 0.00 182 V 8.01 3.76 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 0.93 0.00 0.00 0.94 0.00 0.00 183 T 8.09 3.93 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 184 S 8.22 4.77 0.00 4.01 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 0.00 185 K 7.70 3.99 0.00 1.84 1.89 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.61 7.81 186 L 7.56 4.35 0.00 1.29 1.38 0.94 1.10 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 0.00 187 T 6.36 4.42 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 0.33 0.00 0.00 188 Q 8.29 4.28 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.65 0.00 0.00 0.00 0.00 0.00 2.28 2.26 0.00 189 E 7.53 3.59 0.00 1.58 1.71 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 2.30 2.08 0.00 190 K 8.62 3.88 0.00 1.88 1.72 0.00 1.82 0.00 0.00 1.85 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.57 1.59 7.81 191 P 0.00 4.48 0.00 2.51 2.41 0.00 3.86 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.24 0.00 192 T 8.25 4.02 4.33 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 1.44 0.00 0.00 193 K 8.07 4.00 0.00 2.12 2.05 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.53 1.06 7.81 194 F 8.51 4.09 0.00 2.92 2.95 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 0.00 195 W 8.55 4.15 0.00 3.60 3.23 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 0.00 196 M 8.19 4.04 0.00 2.28 2.20 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.62 0.00 197 K 7.81 3.89 0.00 1.80 1.72 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.29 1.40 7.81 198 I 7.29 3.63 2.03 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 -0.31 1.03 0.00 0.00 199 G 8.44 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 0.00 0.00 0.00 200 Q 8.25 4.05 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.95 0.00 0.00 0.00 0.00 0.00 2.41 2.52 0.00 201 E 8.21 4.14 0.00 1.96 1.98 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 2.31 2.37 0.00 202 S 8.27 4.42 0.00 4.05 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 0.00 203 G 8.02 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 204 V 7.53 4.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.01 0.00 0.00 205 P 0.00 4.40 0.00 2.37 2.22 0.00 3.83 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.27 0.00 206 P 0.00 4.30 0.00 2.31 2.16 0.00 3.64 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.24 0.00 207 L 7.70 3.82 0.00 1.15 0.80 0.24 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 208 H 8.23 4.85 0.00 3.46 3.45 0.00 5.62 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 209 I 7.90 3.68 1.95 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.34 0.59 0.00 0.00 210 D 8.30 4.32 0.00 2.83 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 0.00 211 S 7.69 4.38 0.00 4.15 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 0.00 212 L 7.61 4.21 0.00 1.77 1.73 0.95 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 213 I 7.45 3.85 1.53 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.47 0.51 0.00 0.00 214 W 7.97 3.97 0.00 3.49 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 215 P 0.00 4.43 0.00 2.21 2.18 0.00 3.68 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 216 L 7.86 4.17 0.00 1.71 1.72 1.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 217 L 7.64 4.32 0.00 1.71 1.58 -0.33 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 218 G 8.13 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 0.00 0.00 0.00 0.00 219 N 8.63 4.99 0.00 2.68 2.76 0.00 0.00 6.78 7.96 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 0.00 220 A 7.72 4.27 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 0.00 221 D 8.52 4.69 0.00 2.64 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 0.00 222 L 8.26 4.57 0.00 1.75 1.66 0.93 0.68 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 0.00 223 T 8.00 3.91 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 1.26 0.00 0.00 224 P 0.00 4.34 0.00 2.03 2.12 0.00 3.72 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.07 0.00 225 L 7.63 4.49 0.00 1.69 1.56 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 226 D 8.48 4.44 0.00 2.72 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 227 I 8.35 3.64 1.87 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 1.64 1.33 0.91 0.00 0.00 228 E 8.20 3.95 0.00 2.10 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 2.32 2.45 0.00 229 L 7.82 3.98 0.00 1.73 1.80 0.91 0.95 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 0.00 230 R 8.25 3.94 0.00 2.03 1.97 0.00 3.41 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 231 N 8.51 4.34 0.00 2.88 2.87 0.00 0.00 7.06 6.97 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 0.00 232 K 8.02 4.03 0.00 1.98 1.87 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.62 7.81 233 L 8.10 4.02 0.00 1.86 1.73 0.93 0.71 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 0.00 234 M 8.30 4.07 0.00 2.04 2.26 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.91 0.00 235 K 8.01 3.97 0.00 1.90 2.02 0.00 1.54 0.00 0.00 1.59 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.51 7.81 236 L 8.17 3.97 0.00 1.83 1.84 1.02 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 237 T 8.10 3.88 4.43 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 1.22 0.00 0.00 238 E 8.22 3.93 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 239 L 7.99 4.12 0.00 1.86 1.78 0.97 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 240 L 8.07 4.39 0.00 1.81 1.76 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 241 G 8.36 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 0.00 242 L 8.12 4.07 0.00 1.75 1.90 0.98 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.