NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 T 4.1423 8.1744 115.2476 61.7789 69.3728 173.4585 8 D 4.4745 7.7294 122.6321 50.2143 40.2766 173.8461 9 P 4.3337 0.0000 0.0000 65.4778 32.2602 177.3398 10 R 4.2276 7.9562 115.1625 56.5095 30.5558 176.6849 11 A 4.2186 7.6465 121.4104 51.0758 19.0261 177.2874 12 K 3.9310 8.5828 121.4414 56.3701 32.6735 176.5769 13 W 4.2418 8.7824 135.0000 57.4135 31.2142 175.5885 14 V 4.0702 7.3068 124.0125 59.9694 32.5455 173.1953 15 P 3.9314 0.0000 0.0000 62.2143 32.1971 175.5644 16 Q 4.7593 8.7862 118.1640 54.6027 31.5395 174.3745 17 D 5.5349 8.5311 115.9350 54.5869 41.6853 175.5042 18 N 4.9731 8.5362 113.7162 52.2611 38.8182 173.8199 19 D 4.3895 7.8804 119.5543 53.2340 42.7777 175.3012 20 I 2.9857 8.0029 120.9789 62.6702 37.9402 176.7156 21 Q 4.2305 7.9381 118.0415 56.1025 29.3588 175.4389 22 A 4.7011 7.4750 121.3105 50.8680 20.3507 177.8329 23 C 4.6832 8.8154 117.7744 59.1413 39.8250 174.3887 24 D 4.7653 8.1408 118.6144 53.0003 39.5606 175.4494 25 Y 4.8067 8.0631 122.3524 57.6135 39.2614 177.1888 26 W 4.3868 7.7207 124.1497 59.5638 28.3188 177.7232 27 R 3.4471 5.8400 115.9710 57.9702 29.8154 176.3149 28 H 5.1802 8.4698 116.3099 56.0876 28.9004 174.5760 29 C 2.9456 8.2504 116.9271 56.8154 42.4767 173.9168 30 S 4.6953 7.7108 114.6778 56.5826 62.4964 173.6946 31 I 3.3253 7.4154 118.6136 60.2176 39.3062 174.2112 32 D 4.9467 9.3546 127.5168 54.0921 43.1329 174.4514 33 G 4.2312 7.4853 120.0871 45.0501 0.0000 172.5242 34 N 5.4466 9.9505 123.2631 50.8812 42.1520 173.5871 35 I 4.2017 8.2399 122.9279 61.1496 37.3530 176.3158 36 C 4.0617 8.8000 124.6956 60.1671 35.1383 176.1283 37 D 4.2276 8.0966 118.1853 57.0936 40.8710 177.8326 38 C 4.7270 8.2087 114.7139 57.6435 40.3593 173.7187 39 S 4.6064 8.3776 114.9767 57.9796 63.1093 174.9722 40 G 3.9554 8.7819 108.0757 46.2249 0.0000 174.3486 41 G 4.1822 7.4128 110.5283 44.7709 0.0000 171.6299 42 S 4.9376 8.3792 114.1344 56.4630 66.3258 174.0510 43 L 3.7604 8.7003 120.8964 58.1532 41.4999 178.4191 44 T 4.6267 7.4208 103.6954 60.8765 69.9354 173.1143 45 N 5.0718 7.6353 119.8768 51.5627 41.6995 173.3272 46 C 4.6870 8.3934 117.8752 55.7378 37.4264 172.2155 47 P 4.7592 0.0000 0.0000 61.0585 31.6433 174.3470 48 P 4.1679 0.0000 0.0000 64.3469 31.6373 176.9368 49 G 4.0395 8.9326 110.5601 45.2830 0.0000 173.5740 50 T 4.2364 6.6716 109.2145 60.6378 70.8471 174.2702 51 K 4.6091 8.7579 121.2661 54.4553 35.5010 175.2215 52 L 4.7583 8.7953 126.5926 53.6624 43.2161 176.0046 53 A 4.6567 8.7975 128.8998 52.5393 18.8565 176.8003 54 T 4.3994 8.8971 108.9696 62.4986 71.0663 175.0460 55 A 4.9067 7.8956 123.2829 51.0238 21.9311 177.5953 56 S 3.7810 7.0670 118.7681 58.2020 67.8802 178.3453 *58 V 4.3309 8.4474 111.8375 61.4672 32.4645 172.9277 59 A 5.0020 8.5874 121.6173 50.7992 23.0799 175.5140 60 S 5.0434 8.7270 115.3256 57.9441 64.3356 174.0916 61 C 5.2952 9.4519 122.8465 55.1180 39.8871 172.5461 62 Y 4.6702 9.0186 124.5975 57.3109 40.1860 173.4243 63 N 3.7939 8.1967 126.4536 50.7844 39.3147 173.8140 64 P 4.1721 0.0000 0.0000 65.4209 31.9624 178.1514 65 T 3.8856 7.7793 116.2429 66.1092 68.2296 174.8916 66 D 4.6232 7.5452 116.1685 52.2546 40.4903 176.7361 67 G 3.7619 8.0840 108.3490 45.6363 0.0000 173.1859 68 Q 4.6650 7.8181 118.2813 54.0597 31.9182 174.7489 69 S 5.2900 8.3190 117.4056 57.5229 65.3375 173.0465 70 Y 5.1825 9.2764 120.3295 56.0515 42.4743 174.3990 71 L 4.7993 9.0288 125.2098 54.7086 43.5618 175.4314 72 I 4.5677 8.7651 127.9048 59.8842 39.2056 174.7346 73 A 4.4355 8.0423 128.8318 50.3466 19.9246 177.2631 74 Y 4.6416 8.0455 122.4926 57.0939 36.2086 175.0617 75 R 4.4002 7.8452 121.0120 55.7486 32.3645 175.8499 76 D 5.2461 8.8649 122.7862 53.9252 43.1834 174.6627 77 C 5.1828 9.2981 119.7914 55.9847 41.6221 172.3989 78 C 5.3366 9.2716 120.6079 55.7702 44.4956 174.9901 79 G 4.1020 9.3446 106.6436 45.6930 0.0000 172.9689 80 Y 4.8120 7.4044 114.8052 55.3905 41.8816 174.7322 81 N 4.5160 8.5857 120.4051 53.0997 39.7195 175.0627 82 V 3.9696 8.6485 121.7550 61.2593 31.6683 176.5007 83 S 4.0928 8.4057 118.4643 59.8188 62.7964 175.9258 84 G 3.9597 7.6871 106.9844 45.2217 0.0000 173.0979 85 R 4.5058 7.9414 118.5480 55.7079 32.9570 175.5255 86 C 4.3784 8.7268 117.3319 57.4594 37.6962 171.4679 87 P 4.9893 0.0000 0.0000 63.1006 32.4702 177.0828 88 C 5.0731 9.2361 117.7342 55.4777 45.2475 173.0797 89 L 5.0243 8.4787 123.0491 53.8605 44.0792 174.9081 90 N 5.1637 9.3690 124.0462 51.1529 42.9567 174.7961 91 T 4.4485 7.6135 109.2805 60.9496 69.3760 173.6433 92 E 4.0008 8.0116 123.1418 58.8021 29.1772 177.6422 93 G 3.7489 8.7607 111.9360 45.3239 0.0000 171.9662 94 E 4.3228 7.9996 121.5048 56.0107 30.0408 176.2521 95 L 4.7261 8.4371 126.1952 52.3089 45.2915 174.2945 96 P 4.6306 0.0000 0.0000 61.9615 32.5300 177.9519 97 V 3.6275 8.4503 119.5611 64.8333 31.3744 176.6954 98 Y 4.4726 8.0004 116.1810 57.8609 38.6122 175.9296 99 R 4.6468 7.6218 120.2020 53.9498 30.4892 174.3285 100 P 4.5049 0.0000 0.0000 65.2203 32.1311 179.3772 101 E 3.7140 8.1824 116.2465 58.3862 29.5939 177.5039 102 F 5.0984 8.2702 116.4937 56.8281 39.8377 173.7272 103 A 5.3075 8.5322 124.2900 49.9291 20.0484 177.1207 104 N 5.1005 9.3464 119.9692 52.7657 37.8215 175.6124 105 D 4.5524 7.9912 119.1246 56.7222 41.3663 177.0285 106 I 3.4615 7.3149 119.3998 60.9487 37.4713 175.8125 107 I 3.8410 7.5809 124.8742 60.4210 37.3420 177.0856 108 W 4.7725 9.1000 130.9632 55.7006 27.5204 176.5970 109 C 4.9302 7.3100 115.0252 56.2123 41.8221 174.4971 110 F 4.5300 7.5981 119.5888 59.3784 38.8912 176.3597 111 G 4.3085 9.3967 111.6870 46.3917 0.0000 173.7417 112 A 4.8486 7.6669 122.4864 51.1867 19.3537 176.9346 113 E 4.0317 8.6351 119.6988 58.3496 30.0035 177.5310 114 D 4.3900 8.8865 119.8300 54.8405 38.1162 173.4215 115 D 4.4088 7.7906 114.4590 54.7656 39.1565 174.0566 116 A 4.1259 7.7654 121.0306 52.9454 18.6473 178.3229 117 M 4.6713 8.4732 120.0666 54.6387 34.2214 175.7107 118 T 4.3775 7.6330 109.9400 61.2357 70.7419 172.8649 119 Y 4.4980 8.5080 124.6003 57.2853 40.1445 174.2205 120 H 4.6582 8.2270 125.7372 57.3385 32.5015 171.0488 121 C 4.9032 6.7689 109.8199 55.0059 40.6717 172.2152 122 T 5.3692 9.2053 116.0189 61.7997 71.0526 173.8506 123 I 4.5835 8.4457 118.9338 58.9996 40.3211 175.4960 124 S 4.7190 8.1763 117.6625 56.7901 63.1161 172.9984 125 P 4.3776 0.0000 0.0000 62.3939 32.5657 176.1826 126 I 4.4115 8.0472 121.6339 61.6078 37.3307 176.1223 127 V 4.2815 8.7968 119.0565 61.2011 33.6218 175.2424 128 G 4.0634 7.6236 106.3293 45.7963 0.0000 172.2298 129 K 4.7895 8.8039 119.0725 55.4638 32.7746 177.0983 130 A 4.5397 8.3765 124.1494 50.6114 21.3340 176.5499 131 S 4.4369 8.1014 114.9318 58.4193 63.0754 170.6169 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 7 T 8.17 4.14 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 8 D 7.73 4.47 0.00 2.81 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 9 P 0.00 4.33 0.00 2.24 2.20 0.00 3.83 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 10 R 7.96 4.23 0.00 2.01 2.03 0.00 3.17 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 11 A 7.65 4.22 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 12 K 8.58 3.93 0.00 1.76 1.79 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.50 1.52 7.81 13 W 8.78 4.24 0.00 3.36 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.31 4.07 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 0.81 0.00 0.00 0.91 0.00 0.00 15 P 0.00 3.93 0.00 2.26 1.92 0.00 3.64 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.21 0.00 16 Q 8.79 4.76 0.00 2.28 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.98 0.00 0.00 0.00 0.00 0.00 2.23 2.45 0.00 17 D 8.53 5.53 0.00 2.59 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 18 N 8.54 4.97 0.00 2.85 2.92 0.00 0.00 6.00 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 19 D 7.88 4.39 0.00 2.67 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 20 I 8.00 2.99 1.28 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.54 -0.05 0.00 0.00 21 Q 7.94 4.23 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.25 0.00 22 A 7.48 4.70 1.47 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 0.00 0.00 0.00 23 C 8.82 4.68 0.00 3.12 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 24 D 8.14 4.77 0.00 2.76 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 25 Y 8.06 4.81 0.00 3.37 2.90 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 26 W 7.72 4.39 0.00 3.69 3.12 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 27 R 5.84 3.45 0.00 1.36 1.56 0.00 3.01 0.00 0.00 2.81 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 28 H 8.47 5.18 0.00 3.61 3.42 0.00 5.62 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 C 8.25 2.95 0.00 1.74 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 S 7.71 4.70 0.00 3.69 3.55 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 31 I 7.42 3.33 1.87 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 1.10 0.84 0.91 0.00 0.00 32 D 9.35 4.95 0.00 2.62 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 7.49 4.23 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 0.00 0.00 0.00 34 N 9.95 5.45 0.00 2.67 2.83 0.00 0.00 7.41 8.17 0.00 0.00 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 I 8.24 4.20 1.86 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 1.10 0.54 0.99 0.00 0.00 36 C 8.80 4.06 0.00 2.99 3.12 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 37 D 8.10 4.23 0.00 2.71 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 38 C 8.21 4.73 0.00 2.99 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 39 S 8.38 4.61 0.00 3.95 3.86 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 0.00 0.00 0.00 40 G 8.78 3.96 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 0.00 41 G 7.41 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 0.00 0.00 0.00 0.00 42 S 8.38 4.94 0.00 3.91 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.70 3.76 0.00 1.65 1.68 0.87 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.42 4.63 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 1.17 0.00 0.00 45 N 7.64 5.07 0.00 2.67 2.68 0.00 0.00 6.98 7.55 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 46 C 8.39 4.69 0.00 2.90 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 47 P 0.00 4.76 0.00 1.92 2.08 0.00 3.74 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.09 0.00 48 P 0.00 4.17 0.00 2.01 1.97 0.00 3.61 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 49 G 8.93 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 50 T 6.67 4.24 3.96 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 0.15 0.00 0.00 51 K 8.76 4.61 0.00 1.65 1.85 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.61 7.81 52 L 8.80 4.76 0.00 1.76 1.53 0.92 1.03 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 53 A 8.80 4.66 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 54 T 8.90 4.40 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 1.30 0.00 0.00 55 A 7.90 4.91 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 56 S 7.07 3.78 0.00 3.92 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 *58 V 8.45 4.33 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.95 0.00 0.00 59 A 8.59 5.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 S 8.73 5.04 0.00 3.97 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 61 C 9.45 5.30 0.00 3.26 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 62 Y 9.02 4.67 0.00 3.17 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 63 N 8.20 3.79 0.00 1.44 2.23 0.00 0.00 6.66 7.48 0.00 0.00 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 P 0.00 4.17 0.00 2.18 2.25 0.00 3.28 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 1.86 2.03 0.00 65 T 7.78 3.89 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 1.13 0.00 0.00 66 D 7.55 4.62 0.00 2.66 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 67 G 8.08 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 68 Q 7.82 4.67 0.00 1.85 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.51 6.73 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 69 S 8.32 5.29 0.00 3.76 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 70 Y 9.28 5.18 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 71 L 9.03 4.80 0.00 1.81 1.60 1.05 0.95 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 72 I 8.77 4.57 1.37 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 1.16 1.13 0.12 0.00 0.00 73 A 8.04 4.44 1.10 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 74 Y 8.05 4.64 0.00 2.94 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 75 R 7.85 4.40 0.00 1.79 1.88 0.00 3.08 0.00 0.00 3.31 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.62 0.00 76 D 8.86 5.25 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 77 C 9.30 5.18 0.00 2.72 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 78 C 9.27 5.34 0.00 2.77 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 79 G 9.34 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 80 Y 7.40 4.81 0.00 2.57 2.71 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 0.00 0.00 0.00 81 N 8.59 4.52 0.00 2.65 2.74 0.00 0.00 7.01 7.71 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 82 V 8.65 3.97 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 0.94 0.00 0.00 1.13 0.00 0.00 83 S 8.41 4.09 0.00 3.92 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 G 7.69 3.96 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 0.00 85 R 7.94 4.51 0.00 1.77 1.84 0.00 3.33 0.00 0.00 3.47 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 86 C 8.73 4.38 0.00 3.08 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 P 0.00 4.99 0.00 2.19 2.08 0.00 3.74 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 88 C 9.24 5.07 0.00 2.82 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 89 L 8.48 5.02 0.00 1.52 1.48 0.89 0.87 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 90 N 9.37 5.16 0.00 2.39 2.15 0.00 0.00 6.11 7.04 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 91 T 7.61 4.45 4.16 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 1.13 0.00 0.00 92 E 8.01 4.00 0.00 1.82 1.87 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 1.79 1.92 0.00 93 G 8.76 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 E 8.00 4.32 0.00 1.90 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 2.59 2.39 0.00 95 L 8.44 4.73 0.00 1.69 1.42 0.91 0.79 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 96 P 0.00 4.63 0.00 1.99 2.09 0.00 3.16 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.10 0.00 97 V 8.45 3.63 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.95 0.00 0.00 98 Y 8.00 4.47 0.00 3.16 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 99 R 7.62 4.65 0.00 1.63 1.89 0.00 3.35 0.00 0.00 3.31 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.48 0.00 100 P 0.00 4.50 0.00 2.51 2.47 0.00 3.74 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 2.15 2.04 0.00 101 E 8.18 3.71 0.00 1.59 1.87 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 1.47 1.56 0.00 102 F 8.27 5.10 0.00 3.07 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 0.00 103 A 8.53 5.31 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 0.00 104 N 9.35 5.10 0.00 2.73 2.88 0.00 0.00 7.09 7.60 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 0.00 105 D 7.99 4.55 0.00 2.63 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 7.31 3.46 1.01 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 1.16 0.32 -0.48 0.00 0.00 107 I 7.58 3.84 1.61 0.00 0.00 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 1.24 0.66 0.90 0.00 0.00 108 W 9.10 4.77 0.00 3.54 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 0.00 109 C 7.31 4.93 0.00 2.75 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 F 7.60 4.53 0.00 3.28 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 0.00 111 G 9.40 4.31 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 0.00 112 A 7.67 4.85 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 0.00 113 E 8.64 4.03 0.00 2.09 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 2.41 2.43 0.00 114 D 8.89 4.39 0.00 2.85 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 0.00 115 D 7.79 4.41 0.00 2.84 2.73 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 0.00 116 A 7.77 4.13 1.34 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 0.00 0.00 117 M 8.47 4.67 0.00 1.87 2.01 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.56 0.00 118 T 7.63 4.38 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 1.22 0.00 0.00 119 Y 8.51 4.50 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 0.00 120 H 8.23 4.66 0.00 3.32 3.22 0.00 5.87 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 C 6.77 4.90 0.00 3.16 2.86 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 0.00 0.00 0.00 122 T 9.21 5.37 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 1.52 0.00 0.00 123 I 8.45 4.58 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 1.39 0.89 0.93 0.00 0.00 124 S 8.18 4.72 0.00 3.83 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 0.00 125 P 0.00 4.38 0.00 2.15 2.11 0.00 3.81 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 2.06 1.92 0.00 126 I 8.05 4.41 1.85 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.41 1.08 0.00 0.00 127 V 8.80 4.28 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 0.60 0.00 0.00 0.97 0.00 0.00 128 G 7.62 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 0.00 129 K 8.80 4.79 0.00 1.62 1.61 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.83 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.22 1.47 7.81 130 A 8.38 4.54 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 0.00 131 S 8.10 4.44 0.00 3.90 4.01 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 * Residues marked with a * may have inaccurate shift predictions.