NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.7502 8.0232 122.2071 51.6873 21.0648 176.1642 3 Y 4.6635 6.7062 112.3440 55.8449 41.2799 173.0472 4 W 5.5234 9.2148 121.3427 56.0591 34.8003 172.3455 5 L 5.6151 8.3236 121.1348 53.4138 45.7195 174.5145 *7 K 4.6665 8.4085 119.0724 56.7473 33.4623 175.8277 8 S 4.5427 8.9256 116.6146 56.9955 66.5714 172.8139 9 E 4.8280 9.1202 128.4760 54.7059 29.0061 175.1810 10 P 4.3307 0.0000 0.0000 66.6459 30.6786 178.0308 11 D 4.5092 8.0133 116.8187 56.6132 40.7993 177.9487 12 E 4.4137 8.1752 118.9683 57.3412 29.9430 176.9360 13 L 4.1927 7.0430 117.5471 53.4148 44.5308 174.8748 14 S 4.8847 8.3542 121.7587 56.8279 66.6794 174.6250 15 I 2.6197 7.9043 120.8390 63.5515 37.5629 177.6703 16 E 3.8300 7.9381 119.0314 59.2784 29.3677 178.8349 17 A 3.9810 8.0988 120.9456 55.0815 18.3809 179.4331 18 L 3.9297 7.9691 118.6693 58.1981 41.9232 179.0487 19 A 3.8518 7.4311 119.4765 55.1833 18.3106 179.5533 20 R 4.0256 7.6140 115.6820 59.2621 30.2379 178.9282 21 L 4.1926 8.0514 118.4320 56.5369 41.4112 177.0633 22 G 4.2033 9.2324 115.0002 43.6223 0.0000 171.6628 23 E 5.1432 7.6764 120.3389 53.5434 33.2578 174.6694 24 A 4.9034 9.2671 126.7212 50.3901 23.5035 174.5879 25 R 5.2366 8.6050 119.3640 54.7648 31.1139 176.4752 26 W 4.4996 9.7287 135.0000 55.8989 30.4797 174.4583 27 D 4.5519 8.1485 125.2718 51.6296 41.8640 176.8136 28 G 2.5779 8.8424 105.9425 44.7647 0.0000 173.7912 29 V 3.5417 7.1180 119.7703 62.7346 31.6702 175.6518 30 R 2.7360 8.0204 125.6675 54.6968 31.3504 174.7151 31 N 4.8445 7.7400 116.7782 51.8403 40.8337 173.9520 32 Y 4.2763 8.8590 126.0442 61.5575 38.0979 178.7000 33 Q 3.7647 8.3085 119.3564 59.1078 29.2791 177.8130 34 A 4.1820 8.7268 122.2204 55.1080 18.3692 179.5123 35 R 3.8154 8.5390 117.5251 59.8484 30.0121 178.3748 36 N 4.2720 8.1432 115.0317 56.5650 38.7798 177.1112 37 F 4.6840 8.0266 119.0233 60.4488 38.7420 177.6943 38 L 3.6349 7.5569 118.0258 57.7088 41.5140 179.3757 39 R 4.0324 7.8290 115.7288 57.2610 31.3218 177.6995 40 A 4.4073 7.2933 123.4527 50.0203 16.2864 176.4474 *42 S 4.1883 6.9297 120.1843 57.2211 64.8493 174.4832 43 V 3.9845 8.1218 122.5378 64.5748 31.6583 176.2161 44 G 4.0609 8.8864 115.8269 45.2803 0.0000 173.7220 45 D 4.5951 8.1687 119.6691 54.5231 42.1830 175.3958 46 E 5.4416 8.5377 120.5158 54.8249 33.2972 175.0223 47 F 5.7648 9.0912 116.1123 55.6125 42.2429 173.4241 48 F 4.9302 9.3765 120.1182 57.3180 40.3247 174.6451 49 F 4.6790 9.5281 127.3473 57.7334 40.2650 173.5178 50 Y 5.0409 8.6626 128.6895 56.3453 40.7451 174.0210 51 H 5.2387 8.9148 125.8561 55.6036 29.8568 174.8625 52 S 4.9360 8.7911 117.8821 55.7567 66.8020 173.7051 53 S 4.0108 8.7382 113.0207 59.3504 60.1088 171.4798 54 C 4.8846 7.6570 111.6312 55.6883 32.9242 172.1765 55 P 4.3629 0.0000 0.0000 65.0785 31.1512 176.4502 56 Q 4.5306 7.5520 118.8292 52.9476 28.8691 172.1720 57 P 4.9538 0.0000 0.0000 60.7523 32.6403 177.5061 58 G 4.2768 6.8633 108.5311 44.9416 0.0000 170.9223 59 I 4.3944 7.8124 120.7771 60.9761 37.2576 176.9553 60 A 4.3347 8.9682 128.7316 51.4396 20.0554 176.6136 61 G 2.8742 6.1979 101.7965 45.1861 0.0000 171.0369 62 I 4.9592 7.3865 119.1334 59.5000 40.8514 175.0188 63 A 5.0725 8.2628 126.3630 50.3331 23.4493 174.5669 64 R 5.2144 8.9669 114.4196 54.6352 33.7450 174.5359 65 I 4.7991 8.8694 121.8410 61.2877 37.8097 176.6219 66 T 4.4795 9.2329 117.4944 61.9421 70.2705 174.9754 67 R 4.5674 7.7168 123.1342 55.0042 33.3748 174.2029 68 A 4.6023 8.8016 128.1666 51.3858 19.6036 176.3365 69 A 4.9031 8.7183 120.4575 52.6317 18.8393 176.7623 70 Y 4.9178 8.1492 117.9032 54.5812 41.9833 172.3411 71 P 4.5704 0.0000 0.0000 63.4249 32.3239 175.5655 72 D 4.3262 8.9948 124.9065 53.3434 41.3494 175.0383 73 P 4.3877 0.0000 0.0000 66.0201 30.7745 178.2612 74 T 3.9704 8.2515 109.2365 64.4221 68.4889 176.2292 75 A 4.3180 8.0435 125.1476 53.9782 18.1640 178.8362 76 L 4.4972 7.7740 115.8851 54.7165 42.4270 176.2928 77 D 4.6068 7.6501 119.1354 52.6009 40.9670 174.9365 78 P 4.2772 0.0000 0.0000 65.2717 31.6923 177.9913 79 E 4.0494 8.5842 118.2148 58.9089 29.6379 177.9024 80 S 4.2402 7.6504 113.1035 57.9523 63.8406 174.7984 81 H 4.2847 8.0762 118.2627 57.9252 28.5073 175.6782 82 Y 4.7177 7.0090 117.2554 57.8074 37.8476 174.9894 83 H 4.5731 7.6440 119.6569 55.7863 30.6147 174.4001 84 D 4.6255 8.5367 123.7351 52.0685 42.9871 176.2338 85 A 4.1100 8.7188 130.4356 55.0855 18.6065 178.4500 86 K 4.1295 8.3630 114.1030 58.3492 32.4899 177.5006 87 A 4.4643 7.7075 122.2804 51.8067 19.3669 176.4486 88 T 4.7765 8.1051 110.2965 59.5891 72.1826 175.0659 89 T 3.8427 8.5137 115.9488 64.8454 67.3734 174.2435 90 D 4.6586 7.5488 117.4504 54.8400 42.0350 176.6588 91 K 4.4615 7.7172 117.2091 55.2354 33.0343 173.7315 92 N 4.8534 7.8628 117.0372 51.0404 39.4929 172.8506 93 P 4.0766 0.0000 0.0000 63.8440 32.0497 176.1606 94 W 5.0623 7.7752 119.6902 55.3431 31.5083 175.3406 95 S 5.1768 8.7679 117.0264 56.7953 66.4339 172.6960 96 A 4.8507 8.5089 123.1170 50.3115 22.9197 174.9096 97 V 4.9597 8.2086 116.2746 61.8463 35.8251 173.1731 98 D 5.6654 8.8127 124.1436 52.8538 43.6576 175.8786 99 V 5.3439 9.3135 114.4429 59.8168 36.4389 174.2778 100 A 5.3531 8.8783 122.1578 49.3514 22.9096 175.1625 101 H 4.4711 8.9547 119.6120 56.6466 30.3169 174.1585 102 V 4.2607 7.9831 122.7231 64.0612 33.5408 175.1329 103 Q 4.5738 8.1150 120.2270 55.0072 33.0020 172.5090 104 T 4.6345 8.3520 119.9394 59.9438 69.0873 173.6752 105 F 4.7640 8.3784 128.6616 57.0824 39.1376 174.2484 106 P 4.4372 0.0000 0.0000 65.1249 31.4531 177.0673 107 R 4.6589 7.5895 115.7381 53.4441 33.4632 175.0515 108 V 3.8536 8.3414 122.1010 63.3070 32.5446 176.1765 109 L 4.3726 9.0689 128.6445 53.3091 41.4445 175.5838 110 E 4.3371 8.6259 123.0462 56.5764 30.3408 177.8105 111 L 4.1539 9.0357 125.0306 58.5071 41.8490 179.9256 112 G 3.6224 8.0218 104.0933 47.9016 0.0000 175.1402 113 R 4.0406 7.9377 120.8756 59.0209 30.1523 178.4322 114 L 3.9768 7.9219 118.8992 57.7348 41.4272 179.6104 115 K 4.1187 8.2106 117.3949 58.9494 32.0378 178.7341 116 Q 4.4192 7.5233 116.9737 56.3371 29.0369 176.0279 117 Q 4.1813 7.8263 120.3326 54.6440 28.2398 176.6089 118 A 4.0228 8.5860 127.6206 54.6364 18.6335 178.9964 119 G 3.7922 8.0411 102.9665 47.0753 0.0000 174.0624 120 L 4.6385 8.0639 119.8291 54.2881 42.2835 178.2914 121 V 3.5282 7.4391 121.1456 65.9556 31.3298 176.7279 122 E 4.3602 8.0210 116.0187 56.3848 30.0039 175.6441 123 L 4.3192 8.0115 123.5274 53.3261 42.7262 175.1979 124 P 4.2330 0.0000 0.0000 65.7751 31.6581 177.9023 125 L 3.7475 8.0806 118.5016 58.1065 41.7309 177.9322 126 V 4.1773 7.6235 108.3343 61.1065 31.9312 175.3609 127 Q 4.4989 7.9492 120.9231 53.6306 29.9743 175.1537 128 K 3.8483 8.7058 123.1973 58.3188 32.3782 176.6363 129 G 3.9201 8.9157 112.4859 45.7929 0.0000 173.4850 130 S 4.2834 7.8524 114.6886 58.4159 62.7687 173.9204 131 R 4.6319 8.4173 124.4821 55.6355 31.2262 174.7335 132 L 4.2891 7.6065 120.0070 54.7726 42.3509 176.7971 133 S 4.6759 8.6886 119.4954 58.3002 64.0640 173.8963 134 V 4.7810 7.5229 119.1045 59.4999 34.5337 171.9658 *136 P 4.1048 0.0000 0.0000 62.6464 32.5322 175.6724 137 V 4.6897 7.9066 119.7071 61.3335 34.2863 175.2863 138 T 4.1720 8.9761 118.2936 60.8360 69.9100 173.8356 139 P 4.1920 0.0000 0.0000 66.1279 31.3963 178.8039 140 E 3.9899 8.1513 116.6205 59.6368 29.5631 179.3332 141 Q 4.0789 8.1761 118.1078 58.5033 28.6891 178.5016 142 W 4.2230 8.7203 129.8706 60.3812 30.6815 177.9279 143 A 4.0804 8.4717 121.0483 55.3279 17.6037 180.0800 144 V 3.5805 7.4831 109.5024 64.4776 31.9778 178.6468 145 I 3.6532 7.6175 119.6941 64.1822 36.8718 178.9004 146 V 3.4386 7.8300 119.8994 64.5359 31.3547 178.1800 147 A 4.0210 7.9437 121.0273 54.2101 17.9596 178.9987 148 L 4.0214 7.2816 117.7505 57.5141 42.2167 178.4609 149 R 3.6468 7.1561 117.7528 58.9157 29.9013 176.0964 150 L 4.0789 7.1726 121.1754 54.8792 41.5949 176.5677 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 A 8.02 4.75 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 6.71 4.66 0.00 3.00 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 W 9.21 5.52 0.00 3.27 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 5 L 8.32 5.62 0.00 1.96 1.61 1.02 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 *7 K 8.41 4.67 0.00 1.85 2.04 0.00 1.85 0.00 0.00 1.67 0.00 0.00 2.79 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.65 7.81 8 S 8.93 4.54 0.00 3.56 3.52 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 9 E 9.12 4.83 0.00 2.11 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 2.37 2.44 0.00 10 P 0.00 4.33 0.00 2.19 1.92 0.00 3.92 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 2.04 2.01 0.00 11 D 8.01 4.51 0.00 2.66 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 12 E 8.18 4.41 0.00 1.99 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 2.30 0.00 13 L 7.04 4.19 0.00 1.51 1.49 1.01 0.98 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 14 S 8.35 4.88 0.00 4.16 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 15 I 7.90 2.62 1.21 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.99 0.74 0.00 0.00 16 E 7.94 3.83 0.00 2.04 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 0.00 2.37 2.38 0.00 17 A 8.10 3.98 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 7.97 3.93 0.00 1.88 1.78 1.12 1.28 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 19 A 7.43 3.85 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 20 R 7.61 4.03 0.00 1.95 1.99 0.00 3.15 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.83 0.00 21 L 8.05 4.19 0.00 1.65 1.77 0.97 1.23 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 22 G 9.23 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 0.00 0.00 0.00 0.00 23 E 7.68 5.14 0.00 1.99 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 2.26 2.53 0.00 24 A 9.27 4.90 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 25 R 8.60 5.24 0.00 1.97 1.92 0.00 3.13 0.00 0.00 3.99 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 26 W 9.73 4.50 0.00 3.48 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 27 D 8.15 4.55 0.00 2.78 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 28 G 8.84 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 0.00 0.00 0.00 29 V 7.12 3.54 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 0.79 0.00 0.00 0.97 0.00 0.00 30 R 8.02 2.74 0.00 1.28 0.94 0.00 2.21 0.00 0.00 2.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.01 0.00 31 N 7.74 4.84 0.00 2.70 2.65 0.00 0.00 7.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 8.86 4.28 0.00 3.12 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 33 Q 8.31 3.76 0.00 2.14 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.40 2.25 0.00 34 A 8.73 4.18 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 R 8.54 3.82 0.00 2.10 2.27 0.00 3.12 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 36 N 8.14 4.27 0.00 2.57 2.73 0.00 0.00 7.15 7.69 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 37 F 8.03 4.68 0.00 3.22 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 7.56 3.63 0.00 1.76 1.58 0.90 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 39 R 7.83 4.03 0.00 1.92 1.96 0.00 3.12 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 40 A 7.29 4.41 1.58 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 0.00 0.00 *42 S 6.93 4.19 0.00 3.96 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 43 V 8.12 3.98 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 0.78 0.00 0.00 0.96 0.00 0.00 44 G 8.89 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 45 D 8.17 4.60 0.00 2.86 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 46 E 8.54 5.44 0.00 1.72 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 2.24 2.31 0.00 47 F 9.09 5.76 0.00 3.13 3.21 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 48 F 9.38 4.93 0.00 3.13 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 49 F 9.53 4.68 0.00 3.05 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 50 Y 8.66 5.04 0.00 3.25 2.92 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 51 H 8.91 5.24 0.00 2.96 3.15 0.00 5.63 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 52 S 8.79 4.94 0.00 4.08 4.42 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 53 S 8.74 4.01 0.00 4.02 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 C 7.66 4.88 0.00 3.00 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 55 P 0.00 4.36 0.00 2.20 2.23 0.00 3.70 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 56 Q 7.55 4.53 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.98 0.00 0.00 0.00 0.00 0.00 2.21 2.41 0.00 57 P 0.00 4.95 0.00 2.32 2.18 0.00 4.14 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.96 0.00 58 G 6.86 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 59 I 7.81 4.39 1.88 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.88 0.88 0.00 0.00 60 A 8.97 4.33 0.96 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 0.00 0.00 0.00 0.00 0.00 61 G 6.20 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 0.00 0.00 0.00 62 I 7.39 4.96 1.87 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.87 1.03 0.00 0.00 63 A 8.26 5.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 R 8.97 5.21 0.00 1.98 2.02 0.00 2.80 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 65 I 8.87 4.80 2.06 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.73 0.93 0.00 0.00 66 T 9.23 4.48 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 1.28 0.00 0.00 67 R 7.72 4.57 0.00 1.87 1.85 0.00 2.87 0.00 0.00 2.68 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 68 A 8.80 4.60 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 69 A 8.72 4.90 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 70 Y 8.15 4.92 0.00 3.00 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 71 P 0.00 4.57 0.00 2.03 2.09 0.00 3.87 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.14 0.00 72 D 8.99 4.33 0.00 2.57 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 73 P 0.00 4.39 0.00 2.37 2.39 0.00 3.71 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.17 0.00 74 T 8.25 3.97 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 1.35 0.00 0.00 75 A 8.04 4.32 1.55 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 0.00 0.00 76 L 7.77 4.50 0.00 1.82 1.77 0.97 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 77 D 7.65 4.61 0.00 2.82 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 P 0.00 4.28 0.00 2.06 2.05 0.00 3.74 0.00 0.00 3.89 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 79 E 8.58 4.05 0.00 2.04 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 2.32 2.33 0.00 80 S 7.65 4.24 0.00 3.87 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 81 H 8.08 4.28 0.00 2.52 3.07 0.00 5.68 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 Y 7.01 4.72 0.00 2.83 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 83 H 7.64 4.57 0.00 3.31 3.28 0.00 5.54 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 84 D 8.54 4.63 0.00 2.75 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 85 A 8.72 4.11 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 86 K 8.36 4.13 0.00 2.00 1.92 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.59 7.81 87 A 7.71 4.46 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 88 T 8.11 4.78 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 1.22 0.00 0.00 89 T 8.51 3.84 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 90 D 7.55 4.66 0.00 2.77 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 91 K 7.72 4.46 0.00 1.77 1.62 0.00 1.67 0.00 0.00 1.54 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.49 7.81 92 N 7.86 4.85 0.00 2.79 2.72 0.00 0.00 7.34 7.69 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 93 P 0.00 4.08 0.00 1.06 1.76 0.00 3.65 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 0.77 1.63 0.00 94 W 7.78 5.06 0.00 3.30 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 95 S 8.77 5.18 0.00 3.66 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 96 A 8.51 4.85 0.75 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 0.00 0.00 97 V 8.21 4.96 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 0.90 0.00 0.00 0.82 0.00 0.00 98 D 8.81 5.67 0.00 2.71 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 99 V 9.31 5.34 2.61 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 0.85 0.00 0.00 1.51 0.00 0.00 100 A 8.88 5.35 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 0.00 101 H 8.95 4.47 0.00 3.14 3.23 0.00 5.87 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 0.00 102 V 7.98 4.26 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 0.87 0.00 0.00 0.90 0.00 0.00 103 Q 8.11 4.57 0.00 2.13 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.52 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 104 T 8.35 4.63 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 1.25 0.00 0.00 105 F 8.38 4.76 0.00 3.02 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 0.00 106 P 0.00 4.44 0.00 2.19 2.21 0.00 3.77 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 107 R 7.59 4.66 0.00 1.75 1.82 0.00 3.20 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 108 V 8.34 3.85 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 0.86 0.00 0.00 0.93 0.00 0.00 109 L 9.07 4.37 0.00 1.61 1.54 0.66 0.71 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 E 8.63 4.34 0.00 1.92 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 2.40 2.49 0.00 111 L 9.04 4.15 0.00 1.96 1.77 1.01 0.98 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 0.00 112 G 8.02 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 0.00 0.00 0.00 113 R 7.94 4.04 0.00 1.92 2.06 0.00 3.21 0.00 0.00 3.31 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 114 L 7.92 3.98 0.00 1.96 1.69 1.07 0.64 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 0.00 115 K 8.21 4.12 0.00 1.85 1.88 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.74 7.81 116 Q 7.52 4.42 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.99 0.00 0.00 0.00 0.00 0.00 2.39 2.66 0.00 117 Q 7.83 4.18 0.00 2.17 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.80 0.00 0.00 0.00 0.00 0.00 2.60 2.39 0.00 118 A 8.59 4.02 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 0.00 119 G 8.04 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 0.00 120 L 8.06 4.64 0.00 1.77 1.63 0.93 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 121 V 7.44 3.53 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 0.76 0.00 0.00 1.00 0.00 0.00 122 E 8.02 4.36 0.00 2.00 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 2.29 2.24 0.00 123 L 8.01 4.32 0.00 1.71 1.68 0.94 1.24 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 0.00 124 P 0.00 4.23 0.00 2.24 2.17 0.00 3.68 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 2.17 2.16 0.00 125 L 8.08 3.75 0.00 1.44 1.63 0.08 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 126 V 7.62 4.18 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 0.72 0.00 0.00 1.06 0.00 0.00 127 Q 7.95 4.50 0.00 2.25 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.88 0.00 0.00 0.00 0.00 0.00 2.31 2.48 0.00 128 K 8.71 3.85 0.00 1.72 1.76 0.00 1.89 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.48 7.81 129 G 8.92 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 S 7.85 4.28 0.00 3.98 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 0.00 131 R 8.42 4.63 0.00 1.81 1.88 0.00 3.44 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.53 0.00 132 L 7.61 4.29 0.00 1.72 1.64 1.07 1.17 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 0.00 133 S 8.69 4.68 0.00 4.09 3.99 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 0.00 0.00 0.00 134 V 7.52 4.78 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 0.88 0.00 0.00 0.91 0.00 0.00 *136 P 0.00 4.10 0.00 1.71 1.53 0.00 3.06 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 1.61 1.59 0.00 137 V 7.91 4.69 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 1.16 0.00 0.00 138 T 8.98 4.17 4.42 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 1.23 0.00 0.00 139 P 0.00 4.19 0.00 2.20 2.21 0.00 3.62 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 2.15 2.35 0.00 140 E 8.15 3.99 0.00 2.07 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 2.41 2.48 0.00 141 Q 8.18 4.08 0.00 2.35 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.56 2.39 0.00 142 W 8.72 4.22 0.00 3.21 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 0.00 143 A 8.47 4.08 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 0.00 144 V 7.48 3.58 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 0.84 0.00 0.00 0.96 0.00 0.00 145 I 7.62 3.65 1.54 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.91 -0.25 0.00 0.00 146 V 7.83 3.44 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 0.89 0.00 0.00 0.93 0.00 0.00 147 A 7.94 4.02 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 0.00 148 L 7.28 4.02 0.00 1.71 1.65 0.85 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 149 R 7.16 3.65 0.00 1.19 1.74 0.00 3.07 0.00 0.00 2.89 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.50 0.00 150 L 7.17 4.08 0.00 1.86 1.51 0.88 0.77 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 * Residues marked with a * may have inaccurate shift predictions.