NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 A 4.2303 8.2531 123.5850 52.1878 20.0794 176.2241 7 G 3.6765 9.6158 105.0273 46.5195 0.0000 172.4733 8 L 4.4833 7.5394 119.1624 52.4237 46.1177 171.0853 9 P 4.4067 0.0000 0.0000 63.0809 31.9344 177.4881 10 R 3.9265 8.7133 120.1319 59.5351 30.0407 179.2399 11 R 3.8956 8.0759 117.9103 59.3341 29.8175 178.6028 12 I 3.8311 8.1244 120.1352 64.4511 37.1593 177.9570 13 I 3.7208 7.9315 120.2119 64.6598 36.8021 178.1174 14 K 3.9874 8.3388 120.1518 59.6072 31.9635 178.6375 15 E 4.0571 8.4139 118.9377 60.0972 29.2027 178.9336 16 T 4.0645 8.4539 116.3055 66.0993 68.4726 176.2296 17 Q 4.1701 8.2121 119.2090 59.6770 28.8302 180.3421 18 R 4.0083 7.5972 117.0664 58.9714 30.2536 178.5839 19 L 4.1405 8.3410 120.6021 58.8482 42.0666 178.3280 20 L 4.1398 9.2715 120.5107 56.3866 41.2845 178.7956 21 A 4.1558 8.2874 125.4396 53.7922 19.4417 177.2792 22 E 4.8359 7.8311 111.7116 55.2810 32.3336 174.4926 23 P 4.9340 0.0000 0.0000 61.1696 32.5724 175.7197 24 V 4.3001 7.4461 115.7470 60.4484 34.0703 172.8970 25 P 4.2693 0.0000 0.0000 66.4661 30.5109 174.6072 26 G 4.1027 8.7979 114.3618 45.0824 0.0000 172.1441 27 I 4.8183 9.1262 122.0060 59.2353 39.4883 174.8039 28 K 4.8275 8.5087 128.5670 54.9102 33.5841 174.7846 29 A 5.0290 8.5080 128.8510 50.2948 21.8492 174.5487 30 E 4.7543 9.0250 121.3994 54.3284 33.7977 173.6686 31 P 5.0250 0.0000 0.0000 61.7120 33.0922 174.4042 32 D 4.9044 8.0680 117.5661 51.9625 44.2089 175.2678 33 E 3.8432 8.9518 125.9041 58.4864 29.9881 177.2022 34 S 4.1254 8.5705 119.4217 59.2448 62.4094 172.3244 35 N 4.8559 7.9309 120.0451 52.6183 39.0298 173.9858 36 A 3.9423 8.3270 126.1759 54.5219 19.0340 179.1681 37 R 4.3234 8.1772 112.4725 57.4213 30.3496 174.7843 38 Y 5.4391 8.3816 120.9524 55.8805 41.8882 174.1780 39 F 5.3811 8.9982 124.4465 54.9027 43.0307 173.5131 40 H 4.9490 8.4131 120.5134 54.7073 30.7281 174.3208 41 V 5.5519 8.0678 120.2393 62.6231 35.6542 173.3578 42 V 4.9244 8.1774 124.7184 61.6392 34.3373 173.7393 43 I 4.3277 8.8412 129.7591 60.1150 38.7452 175.6487 44 A 4.3843 8.6450 128.6919 52.4402 18.8999 176.9729 45 G 4.6438 8.5674 110.2919 45.8823 0.0000 171.9412 46 P 4.3769 0.0000 0.0000 62.3429 31.8998 176.6267 47 Q 4.2846 8.7546 120.5916 57.9626 28.9578 176.0911 48 D 4.4855 9.3996 119.6489 55.5758 39.0529 174.1092 49 S 4.8058 7.5620 111.4026 55.7186 66.3116 173.3515 50 P 3.9820 0.0000 0.0000 65.1609 31.3831 176.8405 51 F 4.9483 7.8490 116.1182 57.0930 39.3783 177.1382 52 E 4.1549 8.5268 122.3942 59.7926 29.5790 179.2016 53 G 3.9823 8.3169 107.0465 48.2832 0.0000 174.0601 54 G 4.1376 8.3242 107.8422 45.4691 0.0000 171.6727 55 T 5.2788 7.9668 109.1145 60.2931 72.0403 173.5341 56 F 4.9505 9.2231 123.9279 55.2620 42.0562 174.5349 57 K 4.5066 8.9956 127.0840 56.5555 32.5702 175.6934 58 L 5.3908 9.4051 127.7849 53.8997 44.6591 174.9100 59 E 4.9049 8.9119 116.9840 54.4409 32.6420 174.6463 60 L 5.3285 9.1020 123.4527 53.5108 45.8294 174.8185 61 F 5.6151 8.8881 125.3310 55.8721 43.5064 173.4400 62 L 3.7271 8.1416 125.5120 53.7113 41.6610 175.3088 63 P 4.0213 0.0000 0.0000 61.3394 32.6017 177.3265 64 E 3.8520 8.7406 117.0591 59.6975 29.4405 178.4109 65 E 3.9998 8.2526 116.5930 56.7956 29.4801 175.0778 66 Y 4.8959 7.8717 118.6249 56.3843 39.7918 173.0332 67 P 4.0991 0.0000 0.0000 63.0320 31.5771 177.2141 68 M 4.1752 8.0018 118.8346 58.7994 32.2095 176.7348 69 A 4.0681 8.1103 121.3196 51.3440 19.1431 177.1820 70 A 2.0000 7.8987 124.8227 51.1229 18.7523 175.5908 71 P 4.1089 0.0000 0.0000 62.3743 32.2785 176.2514 72 K 4.1789 8.7946 124.4343 56.3430 33.0430 176.2381 73 V 4.9259 8.2240 124.0769 61.1766 35.0794 174.6997 74 R 4.8189 8.8472 127.1253 54.7806 33.3997 174.0820 75 F 4.7392 9.0189 126.3223 58.3797 38.9038 175.7368 76 M 4.3831 9.5893 123.2735 57.3232 32.4889 176.8131 77 T 4.6606 8.1632 114.0080 61.6055 70.9945 174.0623 78 K 4.3189 7.9470 122.6381 55.8987 33.1577 176.8187 79 I 4.5137 8.0503 117.8957 60.4703 40.5120 173.5107 80 Y 3.3012 8.0718 129.4276 57.2301 39.4258 172.4970 81 H 3.9975 8.0178 123.9798 54.4468 31.4187 173.5749 82 P 4.3660 0.0000 0.0000 63.4956 31.6554 176.2550 83 N 4.8907 7.7880 114.1286 51.8410 38.4766 173.3766 84 V 4.6105 7.4568 118.6920 61.2368 33.6307 174.4462 85 D 5.0434 7.9997 125.5583 50.9214 41.9663 176.4447 86 K 3.9817 8.6976 117.3550 59.4572 31.8917 177.7598 87 L 4.4975 7.6835 114.4410 54.1067 42.0881 177.4200 88 G 3.8912 8.7371 107.9440 45.1378 0.0000 172.7902 89 R 3.9881 7.7196 119.3504 56.2054 29.7330 174.9832 90 I 4.8341 8.1377 123.8197 60.0804 38.7716 175.3289 91 C 4.8373 8.7926 120.4046 56.3105 32.4027 173.4288 92 L 4.3470 8.5988 117.9820 55.1755 44.4111 174.1303 93 D 4.4437 8.5847 128.0622 56.6513 39.3544 179.0708 94 I 4.2325 8.5568 110.2955 61.6926 37.3427 176.1455 95 L 4.5090 8.6517 120.8164 55.6067 43.4582 177.1646 96 K 4.3333 7.1908 116.8252 56.8265 34.8413 179.2146 97 D 4.6031 7.2776 114.5575 52.5040 39.4608 177.9388 98 K 4.5623 7.4602 113.5849 57.3460 30.6797 173.9044 99 W 4.4957 9.6742 132.8840 56.7587 31.1523 175.3530 100 S 4.4617 7.6029 118.8109 55.8712 64.2467 171.9308 101 P 4.5308 0.0000 0.0000 62.6107 30.8941 176.9150 102 A 4.2742 7.2247 123.4708 53.2417 20.1378 178.7836 103 L 3.9661 6.4084 114.5202 55.4060 42.3809 176.4825 104 Q 4.8126 8.6098 117.2031 54.5018 31.6328 175.1364 105 I 3.7605 9.2880 118.1598 64.8179 36.9053 178.4915 106 R 3.9204 8.0098 118.8231 59.3783 29.7963 178.4835 107 T 4.0231 8.4397 116.4852 66.1419 68.4037 177.2038 108 V 3.7146 7.6151 120.7340 64.6693 31.9529 178.0256 109 L 3.8500 7.9924 119.7969 57.6447 41.3604 179.4839 110 L 3.9577 7.7951 119.9973 58.2501 42.1240 179.1313 111 S 4.2034 7.8452 114.6371 61.1952 62.7750 176.6967 112 I 3.6561 8.0517 123.2741 64.1639 36.3235 178.2614 113 Q 3.8244 7.8426 119.7894 59.1274 28.8222 177.8324 114 A 3.8280 8.5326 122.1617 55.0487 18.0187 179.3620 115 L 3.9701 7.4144 118.0752 59.0204 42.2750 178.3277 116 L 3.7044 7.9112 116.7812 58.2872 41.3788 178.9127 117 S 4.4044 7.7010 119.4723 60.9648 64.6879 176.0751 118 A 4.4522 8.5698 127.3229 48.7969 15.7322 174.4851 119 P 4.1839 0.0000 0.0000 61.9772 32.3430 177.4555 120 N 4.5730 7.5842 122.2313 50.9625 37.7379 172.3495 121 P 4.2214 0.0000 0.0000 65.0050 32.0916 177.4730 122 D 4.6945 7.9868 119.3210 54.5412 39.8744 176.1784 123 D 4.8406 7.6299 118.8767 55.0324 44.6069 176.1593 124 P 4.4984 0.0000 0.0000 62.4143 30.9047 179.1673 *127 N 4.4905 8.8180 125.4919 54.1629 40.7272 173.4565 128 D 4.2949 8.3653 127.0554 56.8148 40.0265 178.8683 129 V 3.4609 7.9788 119.4959 65.5126 30.8855 177.2076 130 A 3.9393 8.2244 120.1307 53.8746 18.5178 178.9289 131 E 3.5873 8.9874 112.6119 60.6531 28.9554 179.9565 132 Q 3.3469 6.1632 115.7238 57.3728 30.6908 177.0681 133 W 4.3427 8.7068 132.4541 61.3989 31.3931 177.8929 134 K 4.2004 8.1854 118.6092 60.2744 31.4540 178.2932 135 T 4.0392 7.7992 119.6243 65.0587 69.6681 174.2722 136 N 5.0237 8.4619 118.9912 54.6739 39.9577 176.9679 137 E 3.6504 7.3652 120.3590 58.0250 31.0471 176.6283 138 A 4.3212 7.7095 119.1504 52.2344 20.8952 177.6907 139 Q 3.7370 7.9878 117.7672 59.6955 29.1476 178.8115 140 A 4.2144 8.1848 122.7106 54.2863 17.9940 179.6676 141 I 3.2368 6.9286 117.5411 64.7132 37.2279 177.2200 142 E 3.7810 8.3331 118.7282 60.5032 29.3305 180.0662 143 T 3.1992 8.7375 108.2259 64.6698 68.6414 177.9667 144 A 3.6912 7.3165 122.7978 54.5645 19.6237 179.3775 145 R 4.4170 10.6400 116.1552 58.8116 30.4582 179.2287 146 A 3.8878 7.5888 119.1152 55.0083 18.8057 179.1893 147 W 4.2881 9.8214 117.9191 60.3932 29.4684 179.0482 148 T 4.1905 8.5005 115.6903 66.6277 67.7053 176.4486 149 R 3.8829 8.9717 120.1724 59.6967 30.1716 177.6513 150 L 3.7765 8.4442 119.4637 58.5698 42.0175 178.0755 151 Y 4.3547 8.1302 115.8696 60.1495 38.6416 177.7112 152 A 3.7141 8.5382 122.3911 53.5504 18.5822 177.1097 153 M 4.5760 7.4316 115.4779 54.8101 34.3366 175.4878 154 N 4.1989 8.8565 119.6410 53.5658 35.3340 173.3308 155 N 5.0425 7.4297 113.8701 50.9458 41.0591 175.4867 156 I 3.8961 8.3255 119.7639 61.8512 37.1725 176.0186 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 6 A 8.25 4.23 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 G 9.62 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 L 7.54 4.48 0.00 1.58 1.50 0.97 1.08 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 9 P 0.00 4.41 0.00 2.29 2.20 0.00 3.79 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.05 0.00 10 R 8.71 3.93 0.00 1.85 2.03 0.00 3.31 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.64 0.00 11 R 8.08 3.90 0.00 1.87 1.97 0.00 3.12 0.00 0.00 3.27 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.74 0.00 12 I 8.12 3.83 2.07 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 1.71 0.76 1.05 0.00 0.00 13 I 7.93 3.72 2.06 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.96 0.00 0.00 14 K 8.34 3.99 0.00 1.84 1.83 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.50 7.81 15 E 8.41 4.06 0.00 2.45 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 2.39 2.58 0.00 16 T 8.45 4.06 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 17 Q 8.21 4.17 0.00 2.09 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.76 0.00 18 R 7.60 4.01 0.00 1.90 2.01 0.00 3.23 0.00 0.00 3.42 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 19 L 8.34 4.14 0.00 1.95 1.73 0.91 0.57 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 20 L 9.27 4.14 0.00 1.65 1.61 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.29 4.16 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 22 E 7.83 4.84 0.00 1.88 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 2.11 2.12 0.00 23 P 0.00 4.93 0.00 2.21 2.08 0.00 3.12 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.25 0.00 24 V 7.45 4.30 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 1.00 0.00 0.00 0.93 0.00 0.00 25 P 0.00 4.27 0.00 2.09 2.06 0.00 3.71 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 26 G 8.80 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 I 9.13 4.82 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 1.09 0.94 0.90 0.00 0.00 28 K 8.51 4.83 0.00 1.83 1.70 0.00 1.58 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.40 7.81 29 A 8.51 5.03 1.25 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 0.00 0.00 30 E 9.03 4.75 0.00 2.04 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 2.19 2.26 0.00 31 P 0.00 5.03 0.00 1.84 1.45 0.00 3.25 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 1.83 1.60 0.00 32 D 8.07 4.90 0.00 2.60 2.70 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 0.00 33 E 8.95 3.84 0.00 2.04 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 2.38 2.31 0.00 34 S 8.57 4.13 0.00 4.10 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 35 N 7.93 4.86 0.00 2.73 2.84 0.00 0.00 7.16 7.86 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 36 A 8.33 3.94 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 37 R 8.18 4.32 0.00 2.11 2.14 0.00 3.14 0.00 0.00 3.30 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 38 Y 8.38 5.44 0.00 3.02 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 F 9.00 5.38 0.00 2.76 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 40 H 8.41 4.95 0.00 3.01 3.12 0.00 5.63 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 41 V 8.07 5.55 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 0.80 0.00 0.00 0.95 0.00 0.00 42 V 8.18 4.92 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.97 0.00 0.00 43 I 8.84 4.33 1.85 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.24 0.91 0.00 0.00 44 A 8.64 4.38 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 G 8.57 4.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 P 0.00 4.38 0.00 2.19 2.12 0.00 4.06 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.04 0.00 47 Q 8.75 4.28 0.00 2.22 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.90 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 48 D 9.40 4.49 0.00 2.85 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 49 S 7.56 4.81 0.00 4.16 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 50 P 0.00 3.98 0.00 1.14 1.79 0.00 3.70 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.02 0.00 51 F 7.85 4.95 0.00 3.36 3.53 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 52 E 8.53 4.15 0.00 2.17 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 2.46 2.43 0.00 53 G 8.32 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.32 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 0.00 0.00 0.00 0.00 55 T 7.97 5.28 4.32 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 1.30 0.00 0.00 56 F 9.22 4.95 0.00 3.03 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 9.00 4.51 0.00 1.96 1.81 0.00 1.63 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.44 7.81 58 L 9.41 5.39 0.00 1.63 1.66 -0.64 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.91 4.90 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.37 0.00 60 L 9.10 5.33 0.00 1.55 1.41 0.71 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 61 F 8.89 5.62 0.00 3.50 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 62 L 8.14 3.73 0.00 1.18 1.14 0.77 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.02 0.00 2.15 2.16 0.00 3.27 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.82 0.00 64 E 8.74 3.85 0.00 2.11 2.15 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 2.30 2.32 0.00 65 E 8.25 4.00 0.00 2.04 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 2.39 2.42 0.00 66 Y 7.87 4.90 0.00 2.79 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 67 P 0.00 4.10 0.00 1.99 1.19 0.00 3.65 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.64 0.00 68 M 8.00 4.18 0.00 2.07 2.45 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.47 0.00 69 A 8.11 4.07 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 70 A 7.90 2.00 0.52 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 0.00 0.00 0.00 71 P 0.00 4.11 0.00 1.74 1.51 0.00 2.66 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 1.62 1.64 0.00 72 K 8.79 4.18 0.00 2.11 1.87 0.00 1.63 0.00 0.00 1.53 0.00 0.00 2.78 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.64 7.81 73 V 8.22 4.93 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 0.63 0.00 0.00 0.81 0.00 0.00 74 R 8.85 4.82 0.00 1.91 1.75 0.00 3.50 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.82 0.00 75 F 9.02 4.74 0.00 2.89 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 M 9.59 4.38 0.00 1.94 2.32 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.84 0.00 77 T 8.16 4.66 4.53 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 1.20 0.00 0.00 78 K 7.95 4.32 0.00 0.79 1.38 0.00 1.76 0.00 0.00 1.49 0.00 0.00 2.65 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.27 1.05 7.81 79 I 8.05 4.51 2.34 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.77 0.58 0.00 0.00 80 Y 8.07 3.30 0.00 1.57 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 H 8.02 4.00 0.00 3.18 3.08 0.00 5.91 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 P 0.00 4.37 0.00 1.74 1.82 0.00 3.29 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 1.61 0.00 83 N 7.79 4.89 0.00 2.73 2.87 0.00 0.00 5.68 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 84 V 7.46 4.61 1.79 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 0.65 0.00 0.00 0.50 0.00 0.00 85 D 8.00 5.04 0.00 2.78 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 86 K 8.70 3.98 0.00 1.80 2.00 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.55 1.55 7.81 87 L 7.68 4.50 0.00 1.71 1.69 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 88 G 8.74 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 0.00 0.00 0.00 89 R 7.72 3.99 0.00 2.18 1.97 0.00 3.12 0.00 0.00 3.34 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.72 0.00 90 I 8.14 4.83 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 1.51 0.95 0.92 0.00 0.00 91 C 8.79 4.84 0.00 2.84 2.81 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 92 L 8.60 4.35 0.00 1.71 1.51 0.89 1.15 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 93 D 8.58 4.44 0.00 2.96 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 94 I 8.56 4.23 2.16 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.68 1.01 0.00 0.00 95 L 8.65 4.51 0.00 1.92 1.65 0.88 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 96 K 7.19 4.33 0.00 1.88 1.80 0.00 1.55 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.37 7.81 97 D 7.28 4.60 0.00 2.86 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 0.00 0.00 0.00 98 K 7.46 4.56 0.00 2.03 2.23 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.41 7.81 99 W 9.67 4.50 0.00 3.41 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 0.00 100 S 7.60 4.46 0.00 3.65 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 0.00 101 P 0.00 4.53 0.00 1.93 2.03 0.00 3.49 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.15 0.00 102 A 7.22 4.27 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 L 6.41 3.97 0.00 0.69 1.17 0.70 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 104 Q 8.61 4.81 0.00 2.57 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.80 0.00 0.00 0.00 0.00 0.00 2.23 2.43 0.00 105 I 9.29 3.76 1.86 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.42 0.70 0.00 0.00 106 R 8.01 3.92 0.00 1.87 1.93 0.00 3.17 0.00 0.00 3.34 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 107 T 8.44 4.02 4.47 0.00 0.00 0.00 0.00 0.00 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 0.00 108 V 7.62 3.71 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.87 0.00 0.00 109 L 7.99 3.85 0.00 1.80 1.74 0.86 0.26 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 0.00 110 L 7.80 3.96 0.00 1.89 1.64 0.99 0.97 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 0.00 111 S 7.85 4.20 0.00 3.88 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 0.00 112 I 8.05 3.66 1.73 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.48 0.68 0.00 0.00 113 Q 7.84 3.82 0.00 2.09 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 114 A 8.53 3.83 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 0.00 115 L 7.41 3.97 0.00 1.82 1.70 0.92 0.95 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 0.00 116 L 7.91 3.70 0.00 1.60 1.33 0.62 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.70 4.40 0.00 3.91 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 0.00 118 A 8.57 4.45 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 P 0.00 4.18 0.00 1.13 1.29 0.00 3.76 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.02 0.00 120 N 7.58 4.57 0.00 2.55 2.70 0.00 0.00 7.26 7.57 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 0.00 121 P 0.00 4.22 0.00 2.06 2.00 0.00 3.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.56 0.00 122 D 7.99 4.69 0.00 2.78 2.65 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 0.00 123 D 7.63 4.84 0.00 2.70 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 P 0.00 4.50 0.00 2.06 0.97 0.00 3.75 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.23 0.00 *127 N 8.82 4.49 0.00 2.74 2.68 0.00 0.00 6.67 8.49 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 0.00 128 D 8.37 4.29 0.00 2.95 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 0.00 129 V 7.98 3.46 1.78 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 -0.10 0.00 0.00 0.73 0.00 0.00 130 A 8.22 3.94 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 0.00 131 E 8.99 3.59 0.00 2.06 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 2.35 2.44 0.00 132 Q 6.16 3.35 0.00 2.39 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.48 0.00 0.00 0.00 0.00 0.00 2.50 2.55 0.00 133 W 8.71 4.34 0.00 3.49 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 K 8.19 4.20 0.00 2.04 2.07 0.00 1.96 0.00 0.00 1.77 0.00 0.00 3.15 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.74 1.43 7.81 135 T 7.80 4.04 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 136 N 8.46 5.02 0.00 2.76 2.66 0.00 0.00 6.46 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 0.00 137 E 7.37 3.65 0.00 2.12 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.61 0.00 138 A 7.71 4.32 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 0.00 139 Q 7.99 3.74 0.00 2.01 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 140 A 8.18 4.21 0.70 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 0.00 0.00 0.00 141 I 6.93 3.24 1.67 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 1.30 0.47 0.72 0.00 0.00 142 E 8.33 3.78 0.00 1.91 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 2.26 2.45 0.00 143 T 8.74 3.20 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 144 A 7.32 3.69 1.25 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 0.00 0.00 145 R 10.64 4.42 0.00 2.07 1.96 0.00 3.14 0.00 0.00 3.20 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.40 0.00 146 A 7.59 3.89 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 W 9.82 4.29 0.00 3.68 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 0.00 148 T 8.50 4.19 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 1.64 0.00 0.00 149 R 8.97 3.88 0.00 1.94 2.12 0.00 3.28 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 1.63 1.65 0.00 150 L 8.44 3.78 0.00 1.31 1.19 0.31 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 151 Y 8.13 4.35 0.00 3.14 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 0.00 152 A 8.54 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 M 7.43 4.58 0.00 2.01 1.97 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.57 0.00 154 N 8.86 4.20 0.00 2.85 2.86 0.00 0.00 6.80 8.00 0.00 0.00 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 N 7.43 5.04 0.00 2.78 2.74 0.00 0.00 6.39 7.81 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 0.00 156 I 8.33 3.90 1.88 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 1.27 0.54 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.