NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *4 N 4.7552 8.2833 117.7897 51.7512 39.7598 173.6326 5 K 5.1371 8.2747 118.8855 52.9061 34.7116 173.4277 6 I 4.9166 9.7493 117.7448 59.5165 41.9785 173.8208 7 T 5.2908 8.5729 118.3963 61.9095 71.7053 173.6188 8 A 4.5607 9.2747 128.3650 51.7502 22.2800 176.3995 9 G 3.9909 9.6050 110.2326 46.5687 0.0000 174.4015 10 G 3.9411 8.5531 104.7043 45.4849 0.0000 174.0067 11 L 4.7036 8.3325 121.9227 53.1547 44.5057 175.6743 12 E 5.0374 8.0996 118.7337 55.2373 31.5509 175.9812 13 F 4.9236 9.1377 121.2216 55.1405 44.0746 173.5426 14 L 5.2248 9.2905 121.4385 53.0092 44.1743 175.7797 15 V 4.3408 8.3051 123.2076 59.6740 33.3494 175.1865 16 R 4.4734 7.8561 119.2584 54.4361 33.2057 174.2264 17 F 4.5948 8.5844 118.9350 56.9834 39.7370 175.4207 18 A 4.3585 8.8599 124.7609 52.3648 19.0320 176.7293 19 A 4.7806 9.2611 122.9639 49.2233 22.3125 175.8733 20 P 4.2537 0.0000 0.0000 66.1921 31.0296 178.8382 21 T 4.1219 7.7965 105.9194 63.6267 69.1746 175.2413 22 D 4.5596 8.2681 121.8586 55.2646 40.9809 177.9230 23 R 3.9060 7.8163 120.5353 59.7543 30.0682 178.3304 24 L 3.9871 7.8524 117.9768 57.5241 41.6659 179.2859 25 K 3.9784 7.9647 119.3062 59.4212 32.0151 178.8334 26 I 3.7223 7.6721 119.2775 64.4353 37.1215 177.5706 27 N 4.4278 8.2402 116.9886 56.7493 38.9115 176.3588 28 D 4.5317 8.1208 120.4193 56.8919 40.8580 178.8969 29 L 4.1669 7.7906 117.2678 55.9736 41.8352 178.5046 *31 I 3.9656 7.6742 119.4057 61.0487 39.1717 177.8346 32 D 4.3575 8.1871 120.1540 57.5548 40.4397 179.0208 33 T 3.8307 8.0203 116.3446 66.3319 68.4010 176.6711 34 A 3.8793 7.2991 122.1387 55.2052 18.4540 179.5840 35 R 3.8830 8.0253 116.6344 59.2546 30.1679 179.1706 36 W 4.0472 8.4451 128.0686 60.3835 30.5194 177.9451 37 L 4.0841 8.3195 118.2247 57.6845 41.3877 179.1658 38 K 4.0522 8.0876 119.3516 59.7631 32.0212 178.8365 39 E 3.9823 8.0312 117.3170 58.7842 29.4028 178.8345 40 S 3.9132 7.5257 112.9330 58.6433 63.2683 175.3661 41 G 3.8351 7.6030 110.3513 45.9540 0.0000 174.8118 42 S 4.4646 7.1445 115.9752 56.9906 61.3754 172.8830 43 T 4.4181 7.6197 116.5141 62.0210 69.4646 174.4470 44 Q 4.7090 8.2717 126.0987 53.5891 30.9671 177.2184 45 W 4.3500 8.7671 119.6609 59.6275 28.0019 178.7254 46 S 3.3652 7.0755 114.6924 61.1316 62.2102 176.1221 47 D 4.2844 7.9394 122.5336 57.1004 40.3593 178.6951 48 I 3.7490 7.6690 119.2037 64.0268 37.1848 177.9072 49 L 4.0541 7.6246 120.4280 58.5939 42.1145 178.3834 50 H 4.1852 8.1092 115.0640 58.3526 29.2141 177.0879 51 G 3.9842 8.3504 108.7560 45.4894 0.0000 171.9612 52 F 4.6616 8.6688 117.0340 55.7249 42.6347 175.6121 53 D 4.7636 8.5977 125.7495 53.7575 39.4198 176.4081 54 V 3.8271 7.5049 114.5660 64.4271 32.4480 178.0699 55 H 4.4685 8.1300 115.7500 57.7665 29.0640 175.5471 56 N 5.0867 8.1166 116.2525 52.4024 39.6663 176.2077 57 I 3.7083 8.0075 121.3731 64.3120 37.7937 177.3724 58 E 3.9544 8.1117 119.1139 59.4070 29.3949 178.8547 59 Q 3.9675 8.0245 119.0911 58.7994 29.1691 177.9177 60 R 3.9369 8.1471 119.4040 59.3490 30.1356 179.0106 61 I 3.7134 7.9968 119.5596 64.4250 36.9167 178.0474 62 E 3.9563 8.2073 119.0397 59.0410 29.5343 177.9698 63 L 4.3659 7.8740 115.9183 53.8812 42.0563 176.7070 64 G 3.6514 7.8355 106.9354 47.0380 0.0000 174.2748 65 E 4.5695 8.3974 117.2096 55.6228 31.2132 175.7225 66 V 4.7501 7.8958 120.7944 61.0007 34.3855 173.7363 67 A 4.7824 8.7288 129.3912 50.0413 21.7247 174.8055 68 L 4.9600 8.4525 122.1675 52.8120 45.0963 175.7877 69 F 4.8728 9.0137 120.8381 55.8605 41.9597 174.0016 70 E 5.3395 9.3112 123.7347 54.4133 33.5048 176.3454 71 T 4.2576 8.5801 112.4100 60.6095 70.0200 175.4093 72 E 3.7571 8.5842 122.5085 59.2975 29.5538 177.7116 73 A 4.0776 7.8121 119.0913 53.1221 18.7775 177.8155 74 G 3.9688 8.2629 104.3485 44.8519 0.0000 173.8221 75 A 4.0602 8.0597 123.4148 51.5444 18.8975 177.4668 76 L 4.4515 8.4199 124.2281 54.1890 41.9734 176.2348 77 A 4.3229 9.0304 131.3874 54.5926 19.1306 177.0932 78 G 4.2256 7.5083 101.5688 45.1578 0.0000 171.9355 79 A 5.5920 7.8316 120.4053 50.0808 22.2335 174.8430 *81 I 4.3035 8.1372 116.4447 61.5784 38.6041 175.5424 82 I 5.0789 8.8430 120.3271 59.0517 41.0640 174.8275 83 R 4.7406 9.0359 120.7131 54.5041 32.5050 177.2538 84 K 3.9888 9.5393 123.6965 57.4040 32.6263 176.9810 85 T 4.8914 7.4508 107.9962 58.5857 71.8395 171.8165 86 P 3.8987 0.0000 0.0000 62.3817 31.9087 177.0178 87 S 4.3967 8.7174 117.5690 58.1864 65.0669 175.0891 88 D 4.3584 8.5764 120.6301 57.0000 40.3355 178.9180 89 W 4.0509 8.1513 128.6032 60.5372 30.9150 177.5264 90 D 4.3666 8.1387 118.8858 57.8378 39.7105 179.1431 91 T 3.8428 7.9108 116.0774 66.5159 68.1974 176.3282 92 D 4.1996 7.6475 118.9244 57.1791 41.3218 177.7461 93 L 3.6399 7.4921 119.9921 57.5741 42.3889 178.3392 94 W 4.0672 8.3729 117.1494 55.6606 29.5882 177.5933 95 E 3.5124 8.2965 118.4774 57.8133 28.3027 176.9679 96 D 4.6189 8.6486 128.2925 56.4766 40.7335 176.6738 97 L 4.2679 8.1808 119.8274 56.1775 41.6820 178.3720 98 A 4.2911 8.2518 123.1957 55.0918 18.3520 179.6534 99 I 3.9555 7.0720 114.4955 63.2908 36.0704 181.7101 100 D 4.7946 7.4083 117.8757 54.6289 41.2826 176.2402 101 K 4.3836 8.5825 121.9728 56.6864 33.2150 175.8276 102 A 4.6281 8.3702 123.3957 51.4782 22.1013 174.8815 103 Y 5.1182 8.1509 117.5061 56.8861 40.7136 174.5024 104 Y 4.9354 9.1208 120.9100 56.1988 40.9041 174.8730 105 L 4.7225 8.9047 125.8729 54.5880 41.6440 176.4574 106 H 4.5484 9.1781 122.5267 57.9342 29.6062 176.4958 107 R 4.5840 7.7956 116.1326 55.0821 33.0791 174.6876 108 I 4.2167 8.2334 126.6197 59.5100 39.6884 174.6479 *110 V 3.8360 7.9726 119.6421 62.6567 31.9053 175.0450 111 S 4.1685 8.9024 123.0440 58.1443 62.9783 175.2372 112 R 3.4113 8.5302 125.9016 59.0710 30.0959 178.7161 113 A 3.8075 7.9675 119.7344 54.3216 18.3481 177.9131 114 F 4.8635 8.5007 113.6923 57.1767 39.5795 175.8670 115 S 4.2787 7.5527 115.2092 59.1699 63.5464 174.4231 116 G 3.9156 8.8397 109.3667 46.1056 0.0000 173.9320 117 I 4.3536 7.5283 110.7091 59.6181 38.3224 175.6825 118 S 3.7434 8.0806 115.4102 59.4770 60.3970 174.1965 119 L 3.7866 7.2668 120.8004 58.0053 42.0914 179.0505 120 S 4.0368 8.0007 112.2318 60.9875 63.3590 175.3917 121 K 3.1810 7.8543 121.9980 59.1259 32.0679 178.5424 122 Q 4.4731 7.5283 117.5327 56.3543 28.5586 178.3272 *124 I 4.2515 7.9208 120.3260 61.6728 39.3796 177.4932 125 Y 4.1943 8.2452 120.7419 60.8244 38.3543 178.1153 126 F 3.9829 8.5770 121.2956 61.1429 39.4520 176.9433 127 A 4.0026 8.1200 119.9083 55.1376 18.2045 179.0759 128 E 3.8160 8.2977 117.1416 59.6676 29.5494 179.8222 129 K 3.6685 7.7461 118.4142 59.1793 31.7952 179.1450 130 L 3.9136 7.5513 119.7757 58.1106 42.3522 178.9770 131 G 3.3727 8.3330 105.9498 47.5930 0.0000 175.6976 132 I 3.6032 7.5315 121.4058 63.9419 37.1702 179.0981 133 E 3.9258 7.7179 116.1097 56.7478 29.7111 176.9917 *135 S 4.1375 7.9618 110.8428 57.6986 64.3404 173.7173 136 V 3.9930 7.8358 120.7057 60.7568 32.3622 173.8736 137 P 4.1333 0.0000 0.0000 64.5905 32.6586 175.7738 138 F 5.3533 7.4117 118.3427 55.8541 43.8081 173.4198 139 I 4.8683 8.4894 122.5427 59.7709 39.6269 175.0278 140 R 5.3419 8.7948 124.9401 54.6527 34.3549 174.1751 141 L 5.0977 9.0210 120.7018 55.1291 44.2057 173.4038 142 D 5.8059 8.7349 118.4098 52.0546 42.8043 174.7325 143 C 5.0325 9.3592 119.2143 57.6633 35.5473 172.9720 144 I 3.5753 8.7178 126.1919 61.2096 37.9000 176.5135 145 E 3.3628 8.4882 127.4010 58.4408 29.3792 177.8569 146 S 4.4035 7.7667 112.0642 58.6891 64.0410 174.5883 147 N 4.6091 7.7500 121.1848 52.2306 37.8203 174.4359 148 E 3.9803 8.4670 127.9599 59.3000 29.8244 178.3086 149 T 4.1326 7.7599 109.3705 64.0517 69.0187 175.9351 150 L 3.7531 8.0292 122.4397 57.7647 42.4792 178.1940 151 N 4.6156 8.2381 116.4551 56.4034 38.2700 178.1927 152 Q 3.8415 8.0732 116.9765 56.7995 28.8380 178.1414 *154 Y 4.6718 7.8540 119.8569 58.1664 40.0817 177.8084 155 V 3.8794 7.7043 119.1685 65.9816 31.8362 177.9568 156 R 3.9349 8.0977 119.0558 59.6775 29.8821 176.6604 157 Y 4.5925 8.0406 112.2357 58.6598 37.9449 176.0168 158 G 4.0375 8.5890 108.7954 45.0710 0.0000 173.9130 159 F 4.4216 8.2088 117.8765 57.1385 40.1217 174.7347 160 Q 4.6899 9.3893 123.9440 54.5866 30.5219 174.6647 161 F 4.3330 9.3091 129.3132 58.9528 39.6995 174.5354 162 S 4.2219 9.1599 120.4965 57.6544 64.7536 174.2072 163 G 3.3860 5.3800 106.9307 43.6926 0.0000 172.5447 164 K 5.1262 7.7505 117.8492 55.5165 35.6159 175.2982 165 K 4.3188 9.2574 120.0473 56.9087 35.4132 175.0597 166 N 4.4406 9.9967 121.6850 54.5229 36.2855 175.2274 167 G 4.0423 8.6314 104.3659 45.3420 0.0000 173.2419 168 F 5.2299 8.4248 118.3803 55.6573 42.4132 174.1565 169 Y 5.3525 9.1166 119.9797 57.1483 39.9777 174.4600 170 L 5.1642 8.6115 123.3004 53.2620 44.3798 175.1842 171 Y 5.6487 9.3324 120.3135 56.4698 42.2848 174.4814 172 Q 5.4219 9.7038 119.8545 54.6775 33.0218 173.3629 173 K 4.7722 9.1796 122.4115 54.4933 34.8351 174.6502 174 E 4.5974 8.9573 128.7170 55.9928 30.6612 175.3983 175 L 4.5132 8.1738 127.3735 52.8369 43.0615 176.4569 176 S 4.1365 8.5557 119.5546 58.3409 62.8951 173.6661 177 Q 4.2903 8.4037 125.1034 55.7108 29.1749 175.9182 178 K 4.0201 7.8343 123.3914 56.9304 32.0757 176.4845 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 *4 N 8.28 4.76 0.00 2.62 2.75 0.00 0.00 6.61 6.63 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 5 K 8.27 5.14 0.00 1.99 1.76 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.86 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.34 1.07 7.81 6 I 9.75 4.92 2.01 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 1.45 1.03 1.14 0.00 0.00 7 T 8.57 5.29 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 1.27 0.00 0.00 8 A 9.27 4.56 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 9 G 9.61 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 0.00 0.00 0.00 10 G 8.55 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.33 4.70 0.00 1.77 1.34 1.14 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.10 5.04 0.00 1.74 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 2.15 1.89 0.00 13 F 9.14 4.92 0.00 2.98 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 14 L 9.29 5.22 0.00 1.47 1.47 0.88 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 15 V 8.31 4.34 1.23 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 0.42 0.00 0.00 -1.27 0.00 0.00 16 R 7.86 4.47 0.00 1.78 1.85 0.00 2.71 0.00 0.00 3.08 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.47 0.00 17 F 8.58 4.59 0.00 3.03 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 0.00 18 A 8.86 4.36 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 19 A 9.26 4.78 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.25 0.00 2.17 2.14 0.00 3.61 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 21 T 7.80 4.12 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 1.21 0.00 0.00 22 D 8.27 4.56 0.00 2.84 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 23 R 7.82 3.91 0.00 1.97 1.95 0.00 3.10 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 24 L 7.85 3.99 0.00 1.73 1.70 0.92 0.60 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 25 K 7.96 3.98 0.00 1.82 1.97 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.53 7.81 26 I 7.67 3.72 2.02 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 1.43 0.79 0.95 0.00 0.00 27 N 8.24 4.43 0.00 2.80 3.01 0.00 0.00 7.32 9.28 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 28 D 8.12 4.53 0.00 2.90 2.68 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 29 L 7.79 4.17 0.00 1.85 1.83 0.90 0.91 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 *31 I 7.67 3.97 1.96 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 1.38 0.53 0.88 0.00 0.00 32 D 8.19 4.36 0.00 2.63 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 T 8.02 3.83 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 1.32 0.00 0.00 34 A 7.30 3.88 1.16 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 0.00 0.00 0.00 0.00 0.00 0.00 35 R 8.03 3.88 0.00 2.06 2.03 0.00 3.13 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 36 W 8.45 4.05 0.00 3.51 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 37 L 8.32 4.08 0.00 1.95 1.85 1.28 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.09 4.05 0.00 1.89 1.95 0.00 1.51 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.50 7.81 39 E 8.03 3.98 0.00 1.83 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 2.45 2.41 0.00 40 S 7.53 3.91 0.00 3.32 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 41 G 7.60 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 S 7.14 4.46 0.00 3.89 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 43 T 7.62 4.42 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 1.25 0.00 0.00 44 Q 8.27 4.71 0.00 2.05 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.89 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 45 W 8.77 4.35 0.00 3.61 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 46 S 7.08 3.37 0.00 3.98 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 D 7.94 4.28 0.00 2.91 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 48 I 7.67 3.75 2.16 0.00 0.00 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 1.59 0.67 0.99 0.00 0.00 49 L 7.62 4.05 0.00 1.71 1.43 0.98 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 50 H 8.11 4.19 0.00 3.04 3.09 0.00 5.86 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.35 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 52 F 8.67 4.66 0.00 2.95 2.98 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 53 D 8.60 4.76 0.00 2.65 2.65 0.00 0.00 0.00 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0.00 0.00 1.44 0.76 0.95 0.00 0.00 62 E 8.21 3.96 0.00 2.04 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 0.00 2.31 2.34 0.00 63 L 7.87 4.37 0.00 1.68 1.63 0.94 0.75 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 64 G 7.84 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 65 E 8.40 4.57 0.00 2.07 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 2.15 2.32 0.00 66 V 7.90 4.75 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 1.13 0.00 0.00 0.98 0.00 0.00 67 A 8.73 4.78 0.99 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 0.00 0.00 68 L 8.45 4.96 0.00 1.39 1.43 0.88 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 69 F 9.01 4.87 0.00 2.94 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 70 E 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 D 8.58 4.36 0.00 2.78 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 89 W 8.15 4.05 0.00 3.42 3.04 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 90 D 8.14 4.37 0.00 2.42 1.64 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 91 T 7.91 3.84 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 1.19 0.00 0.00 92 D 7.65 4.20 0.00 2.65 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.49 3.64 0.00 0.81 1.33 0.34 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 94 W 8.37 4.07 0.00 3.56 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 95 E 8.30 3.51 0.00 2.13 1.16 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 0.00 2.24 2.31 0.00 96 D 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3.37 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 0.00 132 I 7.53 3.60 1.88 0.00 0.00 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 1.39 0.54 0.82 0.00 0.00 133 E 7.72 3.93 0.00 2.24 2.10 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 2.32 2.23 0.00 *135 S 7.96 4.14 0.00 3.85 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 0.00 136 V 7.84 3.99 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 0.30 0.00 0.00 0.61 0.00 0.00 137 P 0.00 4.13 0.00 0.97 1.86 0.00 3.67 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.81 0.00 138 F 7.41 5.35 0.00 2.72 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 0.00 139 I 8.49 4.87 1.99 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.10 1.15 0.00 0.00 140 R 8.79 5.34 0.00 0.67 1.01 0.00 2.21 0.00 0.00 2.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.95 0.00 141 L 9.02 5.10 0.00 1.58 1.60 -0.06 -0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 142 D 8.73 5.81 0.00 2.86 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 0.00 143 C 9.36 5.03 0.00 3.39 3.38 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 0.00 144 I 8.72 3.58 1.48 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 1.19 0.57 0.86 0.00 0.00 145 E 8.49 3.36 0.00 1.22 1.18 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 2.23 2.11 0.00 146 S 7.77 4.40 0.00 4.00 4.02 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 0.00 147 N 7.75 4.61 0.00 2.91 2.79 0.00 0.00 6.71 7.63 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 0.00 148 E 8.47 3.98 0.00 2.09 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 2.50 2.38 0.00 149 T 7.76 4.13 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 1.19 0.00 0.00 150 L 8.03 3.75 0.00 1.68 1.67 0.49 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 151 N 8.24 4.62 0.00 3.11 3.03 0.00 0.00 7.05 6.87 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 0.00 152 Q 8.07 3.84 0.00 2.16 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.39 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 *154 Y 7.85 4.67 0.00 2.37 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 0.00 0.00 0.00 0.00 155 V 7.70 3.88 2.24 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 1.08 0.00 0.00 1.10 0.00 0.00 156 R 8.10 3.93 0.00 1.90 1.88 0.00 3.35 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.67 0.00 157 Y 8.04 4.59 0.00 3.46 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 0.00 158 G 8.59 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 0.00 0.00 0.00 159 F 8.21 4.42 0.00 3.23 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 0.00 160 Q 9.39 4.69 0.00 2.26 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.97 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 161 F 9.31 4.33 0.00 2.99 2.99 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 0.00 162 S 9.16 4.22 0.00 3.61 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 0.00 163 G 5.38 3.39 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 0.00 164 K 7.75 5.13 0.00 2.13 2.14 0.00 1.87 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.39 1.49 7.81 165 K 9.26 4.32 0.00 1.63 1.46 0.00 1.75 0.00 0.00 1.58 0.00 0.00 2.73 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.21 1.31 7.81 166 N 10.00 4.44 0.00 3.11 3.34 0.00 0.00 7.15 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 0.00 167 G 8.63 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 0.00 0.00 0.00 168 F 8.42 5.23 0.00 3.19 3.04 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 0.00 169 Y 9.12 5.35 0.00 3.11 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 0.00 170 L 8.61 5.16 0.00 1.02 0.43 0.66 -0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 171 Y 9.33 5.65 0.00 2.80 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 0.00 172 Q 9.70 5.42 0.00 2.17 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 173 K 9.18 4.77 0.00 0.79 1.24 0.00 1.31 0.00 0.00 1.41 0.00 0.00 2.50 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.13 1.08 7.81 174 E 8.96 4.60 0.00 2.14 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 2.08 2.02 0.00 175 L 8.17 4.51 0.00 1.40 1.42 0.80 0.65 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 0.00 176 S 8.56 4.14 0.00 3.78 3.72 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 0.00 177 Q 8.40 4.29 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.78 0.00 0.00 0.00 0.00 0.00 2.20 2.22 0.00 178 K 7.83 4.02 0.00 1.99 1.73 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.48 1.28 7.81 * Residues marked with a * may have inaccurate shift predictions.