NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 P 4.2497 0.0000 0.0000 62.2579 32.6337 175.7381 6 R 3.2515 8.0301 120.2243 54.4866 30.7520 174.1938 7 P 4.7166 0.0000 0.0000 63.3625 33.3350 174.7426 8 L 5.4595 9.2432 121.3825 53.0263 44.8437 177.8513 9 R 3.6737 8.7010 121.7290 59.6057 30.0636 178.8291 10 E 4.2398 8.1373 112.6895 58.2682 29.7322 177.3888 11 Q 4.1337 8.3047 117.9220 56.9846 29.2292 175.2290 12 Y 4.5402 7.9790 115.3703 56.0850 40.5058 175.3671 13 L 4.4968 8.2003 121.6826 55.5975 43.4575 176.7462 14 H 4.9504 7.5293 117.2060 54.1508 33.1467 172.3014 15 F 5.1299 8.5045 122.6019 55.7875 42.5650 174.5903 16 Q 4.4645 8.4549 122.5580 54.2566 31.9732 172.0461 17 P 4.8149 0.0000 0.0000 62.5249 32.2158 176.1249 18 I 4.5689 8.5341 123.5060 59.3171 40.5431 175.0770 19 S 4.5878 8.5618 119.7780 57.7061 64.1506 174.2004 20 T 4.5050 8.3622 113.5320 61.4743 69.9790 173.6616 21 R 4.7288 9.3502 121.5591 53.7649 33.2442 176.9132 22 W 2.7400 8.4033 129.5662 60.7242 30.4338 177.0923 23 H 4.6288 8.0940 113.4361 56.4447 29.6504 175.2103 24 D 4.4159 8.0210 120.0363 57.8952 40.8633 176.8573 25 N 4.6783 7.4040 115.2327 53.1344 38.9985 174.9218 26 D 4.6789 8.8126 123.5860 51.8734 41.8655 176.7507 27 I 3.6660 7.8415 111.3153 63.5469 37.4287 175.9099 28 Y 4.5337 7.6229 117.8925 57.7999 37.8910 176.4577 29 G 3.8727 8.4938 109.1651 45.2422 0.0000 172.3577 30 H 5.1830 7.3771 114.1329 52.8175 32.8439 172.7101 31 V 4.0391 8.8010 119.3787 63.1985 31.7731 175.3811 32 N 4.7817 9.3896 127.5537 52.9896 39.1754 175.4514 33 N 4.1526 8.9283 122.0554 56.0147 37.8109 177.3628 34 V 3.8044 8.5034 118.5201 66.1495 31.4878 178.1607 35 T 3.6414 7.8116 114.9996 66.4360 68.1344 176.0864 36 Y 3.5858 7.6539 117.9525 61.0260 37.7207 178.1603 37 Y 3.4771 7.5724 116.6728 60.1543 37.8654 177.8536 38 A 3.9812 7.5721 121.7223 54.9073 18.4741 179.4582 39 F 4.5287 7.6306 116.4774 60.7692 38.9325 177.7688 40 F 4.5122 8.3863 117.3792 60.9909 38.8194 177.2630 41 D 4.3873 8.3775 118.3768 57.8547 40.6369 179.3224 42 T 3.9312 8.4741 116.0883 66.6035 68.5304 176.7355 43 A 4.2136 8.5691 123.1139 55.1812 18.3692 179.9275 44 V 3.3838 8.0586 116.8211 66.3521 31.6771 178.1303 45 N 4.4930 8.3843 116.1743 56.2422 38.2380 177.5880 46 T 3.9148 8.1542 117.5081 66.8174 68.5264 175.7155 47 Y 4.0001 7.8944 120.7373 60.9048 38.7911 178.2461 48 L 3.9868 8.3618 119.9264 57.7431 41.8110 179.7440 49 I 3.9957 7.8985 119.7346 64.3773 36.9798 178.3216 50 E 4.0232 8.2364 118.4171 58.9749 29.4755 178.5088 51 R 4.2359 7.8473 117.0211 57.0657 30.8113 177.4956 52 G 3.8727 7.6718 102.7437 43.6019 0.0000 174.2680 53 G 3.9210 7.2662 106.4710 45.5066 0.0000 173.6057 54 L 3.7684 7.7325 120.8481 55.5510 42.3551 176.4257 55 D 4.7965 8.5961 125.0914 52.4840 41.3210 175.9830 56 I 3.9884 8.1516 119.9491 62.4485 38.6170 177.7218 57 Q 4.1834 8.3862 119.9815 58.2795 28.8844 176.9679 58 G 4.1599 8.3728 101.6925 44.7237 0.0000 172.8485 59 G 3.8178 8.1538 108.8627 45.5496 0.0000 174.0056 60 E 4.3125 8.6836 119.4285 57.3007 31.0949 176.3431 61 V 5.0430 7.8632 119.0340 60.8717 33.8801 174.7587 62 I 4.8232 8.9773 120.4535 59.1145 41.4801 174.0739 63 G 3.6954 8.5970 109.9376 44.5327 0.0000 172.9870 64 L 4.9152 8.5912 124.7236 52.6411 45.1273 175.7818 65 V 4.6205 8.3885 122.5858 62.9279 31.6892 175.8741 66 V 4.5256 8.5473 120.3994 61.8131 33.8638 175.7152 67 S 4.8277 7.9297 113.1875 57.8981 65.8208 173.7928 68 S 5.4526 8.5275 114.0042 58.3062 65.5013 173.6714 69 S 4.9598 9.3497 114.1307 58.1938 66.4060 172.9153 70 C 5.0523 8.6047 119.9173 58.2574 34.5295 172.4686 71 D 4.7540 8.7812 124.9183 52.4791 43.5884 174.4918 72 Y 4.2200 8.1985 120.1017 56.2888 39.3641 175.2188 73 F 5.0071 9.1342 122.9324 58.3793 41.3766 176.1450 74 A 4.7047 7.8153 118.6093 49.9545 21.9313 173.6737 75 P 4.7416 0.0000 0.0000 62.7002 32.8423 175.6532 76 V 4.8811 8.2129 112.4141 59.7401 36.1775 174.3947 77 A 5.1492 9.2018 122.8392 49.8337 22.7369 175.7962 78 F 4.4335 9.3810 122.7199 57.5845 39.9046 173.3015 79 P 4.0370 0.0000 0.0000 62.0910 31.5335 175.7042 80 Q 4.0358 7.7127 117.5813 57.2764 29.4537 176.4758 81 R 4.5151 8.3270 119.6288 55.5522 31.6919 175.6026 82 I 4.9948 8.0238 116.0837 59.4400 41.5041 174.1344 83 E 5.0780 8.3306 123.9553 54.0407 33.2351 174.2094 *85 G 3.5739 8.5916 103.2803 46.2624 0.0000 171.7933 86 L 5.4008 8.2037 122.9374 53.3203 45.9997 175.1625 87 R 4.8972 9.1544 121.1917 54.9218 33.7407 173.5203 88 V 4.2384 8.3117 120.0003 61.5903 32.2687 174.5483 89 A 4.2491 9.1074 132.3670 52.2703 18.1945 176.6644 90 R 4.6045 7.5918 111.6955 53.7781 33.7655 175.2050 91 L 4.7025 8.3827 123.1236 53.4916 44.3167 175.5269 92 G 4.3342 8.3999 118.1750 44.0787 0.0000 171.7670 93 N 4.4956 8.8681 115.6228 56.1197 38.7736 176.5905 94 S 5.0078 8.0357 109.4284 57.6234 65.1892 173.1095 95 S 5.4047 8.0216 114.3018 57.8817 66.8202 172.8354 96 V 4.7060 8.6414 118.6294 60.4886 35.0321 172.7348 97 Q 4.7894 8.8274 124.7996 54.6639 31.1918 173.7146 98 Y 4.9996 8.6595 124.5420 56.4175 40.7949 174.4058 99 E 5.1426 9.2448 122.3563 54.6777 32.4291 175.1796 100 L 5.3361 8.9031 123.0422 53.0687 46.1159 175.3733 101 A 4.8474 8.0940 121.8802 50.3185 22.6730 175.1924 102 L 4.7526 8.6513 123.1266 53.3466 44.4577 175.3159 103 F 5.2448 9.0925 124.2985 55.5052 43.0487 174.5092 104 L 4.6231 8.7059 121.8674 54.1492 43.1402 175.6555 105 E 3.8240 8.4400 122.4789 57.0300 29.9800 177.1320 106 G 4.0074 8.7811 115.7310 46.8192 0.0000 172.7319 107 Q 4.6869 7.9611 116.6083 53.6550 32.0116 176.1334 108 R 4.1285 8.5805 121.4193 58.2106 31.5750 175.5620 109 E 5.3399 8.1688 117.3228 54.2829 31.2153 176.2136 110 A 3.7352 8.8941 126.5289 52.3809 18.7202 177.6570 111 C 4.5312 9.3986 118.9426 62.6085 29.5600 173.5555 112 A 4.6034 7.7994 117.4832 51.0366 22.3371 175.1213 113 A 4.9023 8.5890 120.8546 51.1779 23.1217 176.1254 114 G 4.0759 9.0328 108.2891 46.0685 0.0000 171.9442 115 R 5.7455 9.1200 116.5238 55.1696 33.6254 174.2003 116 F 5.5652 8.4935 113.1875 55.9526 41.7477 172.7388 117 V 4.8375 9.0547 120.0960 61.6301 33.9864 173.9391 118 H 5.5931 8.8627 124.9499 54.4070 31.2015 173.9048 119 V 4.7595 8.6799 122.6718 61.2120 33.8714 174.3913 120 F 5.1995 9.1302 126.8548 56.8980 40.5517 175.3165 121 V 4.9908 8.8573 115.4116 59.2827 36.7300 174.2892 122 E 4.3443 9.0660 125.1212 56.4195 29.8322 177.7311 123 R 4.0204 9.2293 131.1323 60.2696 30.1956 178.7510 124 R 4.1620 8.2148 116.7058 58.1252 29.6767 179.8223 125 S 4.5991 7.8958 109.6325 57.2508 64.4283 174.6669 126 S 3.7800 8.8464 118.2719 59.8630 60.9503 172.2339 127 R 4.2447 7.6541 121.7857 55.8545 30.0938 178.2742 128 P 4.9401 0.0000 0.0000 62.5052 31.9676 176.0219 129 V 4.6585 8.7534 121.7353 59.3213 34.7334 175.1143 130 A 4.2155 8.8170 123.3184 52.7071 18.7631 177.5048 131 I 3.5264 8.2426 123.3239 60.7542 37.6859 174.7410 132 P 4.2059 0.0000 0.0000 63.4536 32.1273 177.6155 133 Q 3.9754 8.9443 124.1427 60.7354 27.5071 178.3566 134 E 4.0983 8.0455 120.8661 58.8927 29.7070 178.7925 135 L 3.9380 7.6948 118.7109 57.6118 41.7235 178.9958 136 R 3.8808 8.3120 121.5334 60.1728 29.9525 178.9588 137 D 4.3387 8.4376 120.9065 58.3868 39.6205 180.2928 138 A 4.2944 7.5274 121.5407 55.0389 18.6445 179.4975 139 L 4.2483 8.1752 117.3281 57.8775 41.7758 179.5266 140 A 3.9993 8.4673 120.9239 54.9550 18.0754 179.3932 141 A 4.0830 8.0446 118.4639 54.6086 18.5523 178.1896 142 L 4.3565 7.8477 116.0854 54.6867 42.0383 175.8109 143 Q 4.7862 7.7718 119.0323 54.5829 29.8379 175.1569 144 S 4.6834 8.3364 118.4176 57.1606 65.4178 174.5027 145 S 4.3657 8.5542 120.2455 58.7949 62.7087 174.5977 146 A 4.2196 7.7080 127.1033 53.3593 18.0516 177.3110 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 5 P 0.00 4.25 0.00 2.13 2.07 0.00 3.70 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.97 0.00 6 R 8.03 3.25 0.00 1.62 1.74 0.00 3.15 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 1.22 0.00 7 P 0.00 4.72 0.00 2.26 2.33 0.00 3.49 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.25 0.00 8 L 9.24 5.46 0.00 1.67 1.73 0.98 1.24 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 9 R 8.70 3.67 0.00 1.65 1.76 0.00 2.89 0.00 0.00 2.79 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.50 0.00 10 E 8.14 4.24 0.00 2.10 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 0.00 2.31 2.29 0.00 11 Q 8.30 4.13 0.00 2.29 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.71 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 12 Y 7.98 4.54 0.00 2.72 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 13 L 8.20 4.50 0.00 1.56 1.67 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 14 H 7.53 4.95 0.00 3.05 2.85 0.00 5.80 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 F 8.50 5.13 0.00 2.86 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 16 Q 8.45 4.46 0.00 2.15 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.09 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 17 P 0.00 4.81 0.00 1.98 1.96 0.00 3.70 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 2.04 2.13 0.00 18 I 8.53 4.57 1.46 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 1.35 1.07 0.82 0.00 0.00 19 S 8.56 4.59 0.00 4.03 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 20 T 8.36 4.51 4.48 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 0.00 0.00 0.00 1.24 0.00 0.00 21 R 9.35 4.73 0.00 2.03 1.84 0.00 3.21 0.00 0.00 3.14 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 22 W 8.40 2.74 0.00 2.93 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 23 H 8.09 4.63 0.00 3.20 3.27 0.00 5.81 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 D 8.02 4.42 0.00 2.97 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 N 7.40 4.68 0.00 2.43 2.58 0.00 0.00 7.04 7.94 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 26 D 8.81 4.68 0.00 2.66 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 27 I 7.84 3.67 1.58 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 -0.36 0.74 0.00 0.00 28 Y 7.62 4.53 0.00 3.03 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 29 G 8.49 3.87 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 30 H 7.38 5.18 0.00 3.46 3.45 0.00 5.49 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.80 4.04 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 0.60 0.00 0.00 1.02 0.00 0.00 32 N 9.39 4.78 0.00 2.74 2.62 0.00 0.00 6.79 7.42 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 33 N 8.93 4.15 0.00 2.39 2.21 0.00 0.00 5.80 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 34 V 8.50 3.80 2.23 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 0.99 0.00 0.00 0.94 0.00 0.00 35 T 7.81 3.64 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 36 Y 7.65 3.59 0.00 2.79 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 Y 7.57 3.48 0.00 3.13 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 38 A 7.57 3.98 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 39 F 7.63 4.53 0.00 3.29 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 F 8.39 4.51 0.00 3.29 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.38 4.39 0.00 2.95 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 42 T 8.47 3.93 4.59 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 1.31 0.00 0.00 43 A 8.57 4.21 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 44 V 8.06 3.38 2.34 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 0.54 0.00 0.00 0.24 0.00 0.00 45 N 8.38 4.49 0.00 2.99 2.94 0.00 0.00 7.09 7.07 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 46 T 8.15 3.91 4.49 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 1.34 0.00 0.00 47 Y 7.89 4.00 0.00 3.05 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 48 L 8.36 3.99 0.00 1.85 1.83 1.38 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.90 4.00 1.89 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 1.70 0.99 0.97 0.00 0.00 50 E 8.24 4.02 0.00 1.97 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 2.35 2.32 0.00 51 R 7.85 4.24 0.00 1.33 1.05 0.00 3.19 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.35 0.00 52 G 7.67 3.87 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 53 G 7.27 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 54 L 7.73 3.77 0.00 1.72 1.69 1.04 1.11 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 55 D 8.60 4.80 0.00 2.77 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 I 8.15 3.99 1.90 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 1.44 0.74 0.96 0.00 0.00 57 Q 8.39 4.18 0.00 2.08 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.18 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 58 G 8.37 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 0.00 0.00 0.00 0.00 59 G 8.15 3.82 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 0.00 0.00 0.00 60 E 8.68 4.31 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 1.87 0.00 61 V 7.86 5.04 2.13 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 1.01 0.00 0.00 0.96 0.00 0.00 62 I 8.98 4.82 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.57 0.95 0.00 0.00 63 G 8.60 3.70 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 0.00 64 L 8.59 4.92 0.00 1.49 1.52 0.91 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 65 V 8.39 4.62 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 0.85 0.00 0.00 0.78 0.00 0.00 66 V 8.55 4.53 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 0.77 0.00 0.00 1.02 0.00 0.00 67 S 7.93 4.83 0.00 3.90 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 68 S 8.53 5.45 0.00 4.25 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 69 S 9.35 4.96 0.00 3.99 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 70 C 8.60 5.05 0.00 2.48 2.25 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 71 D 8.78 4.75 0.00 2.41 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 0.00 0.00 0.00 72 Y 8.20 4.22 0.00 2.47 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.13 5.01 0.00 2.93 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 74 A 7.82 4.70 1.28 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 75 P 0.00 4.74 0.00 2.10 1.90 0.00 3.75 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 2.01 2.00 0.00 76 V 8.21 4.88 2.13 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 0.79 0.00 0.00 1.00 0.00 0.00 77 A 9.20 5.15 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 78 F 9.38 4.43 0.00 3.13 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 79 P 0.00 4.04 0.00 1.73 0.59 0.00 3.58 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 80 Q 7.71 4.04 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.90 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 81 R 8.33 4.52 0.00 1.74 1.82 0.00 3.34 0.00 0.00 3.41 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 82 I 8.02 4.99 1.69 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.66 0.83 0.00 0.00 83 E 8.33 5.08 0.00 2.14 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 2.19 1.95 0.00 *85 G 8.59 3.57 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 0.00 0.00 0.00 86 L 8.20 5.40 0.00 1.62 1.44 0.74 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 87 R 9.15 4.90 0.00 2.04 1.83 0.00 2.91 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.44 0.00 88 V 8.31 4.24 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.96 0.00 0.00 89 A 9.11 4.25 1.15 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 0.00 0.00 0.00 0.00 0.00 90 R 7.59 4.60 0.00 1.67 1.78 0.00 3.20 0.00 0.00 3.24 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 91 L 8.38 4.70 0.00 1.46 1.47 0.89 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 92 G 8.40 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 0.00 0.00 0.00 0.00 93 N 8.87 4.50 0.00 2.78 2.89 0.00 0.00 6.36 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 94 S 8.04 5.01 0.00 4.02 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 95 S 8.02 5.40 0.00 3.94 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 96 V 8.64 4.71 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 0.28 0.00 0.00 0.60 0.00 0.00 97 Q 8.83 4.79 0.00 2.02 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.17 2.26 0.00 98 Y 8.66 5.00 0.00 2.39 2.46 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 99 E 9.24 5.14 0.00 1.81 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 2.18 2.34 0.00 100 L 8.90 5.34 0.00 0.68 1.14 0.35 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 101 A 8.09 4.85 0.34 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 0.00 102 L 8.65 4.75 0.00 1.80 1.60 0.75 0.82 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 0.00 103 F 9.09 5.24 0.00 3.06 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 0.00 104 L 8.71 4.62 0.00 1.86 1.61 1.02 0.88 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 0.00 105 E 8.44 3.82 0.00 1.98 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 2.31 2.29 0.00 106 G 8.78 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 0.00 0.00 0.00 107 Q 7.96 4.69 0.00 2.23 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.92 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 108 R 8.58 4.13 0.00 1.87 1.93 0.00 3.14 0.00 0.00 3.34 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 109 E 8.17 5.34 0.00 1.94 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 2.29 2.34 0.00 110 A 8.89 3.74 0.98 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 0.00 111 C 9.40 4.53 0.00 3.04 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 A 7.80 4.60 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 0.00 113 A 8.59 4.90 1.40 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 0.00 0.00 0.00 114 G 9.03 4.08 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 0.00 115 R 9.12 5.75 0.00 1.92 2.06 0.00 3.11 0.00 0.00 3.36 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 116 F 8.49 5.57 0.00 3.34 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 0.00 117 V 9.05 4.84 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 1.01 0.00 0.00 0.95 0.00 0.00 118 H 8.86 5.59 0.00 3.07 2.50 0.00 5.65 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 0.00 119 V 8.68 4.76 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 1.00 0.00 0.00 0.95 0.00 0.00 120 F 9.13 5.20 0.00 3.12 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 0.00 121 V 8.86 4.99 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 0.76 0.00 0.00 0.95 0.00 0.00 122 E 9.07 4.34 0.00 2.16 1.85 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 2.30 2.13 0.00 123 R 9.23 4.02 0.00 1.96 1.97 0.00 3.53 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 124 R 8.21 4.16 0.00 1.87 1.83 0.00 3.28 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.18 0.00 125 S 7.90 4.60 0.00 3.95 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 0.00 126 S 8.85 3.78 0.00 4.00 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 0.00 127 R 7.65 4.24 0.00 1.50 1.81 0.00 3.29 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.48 0.00 128 P 0.00 4.94 0.00 1.95 2.07 0.00 3.60 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 2.05 2.13 0.00 129 V 8.75 4.66 2.13 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 0.76 0.00 0.00 0.95 0.00 0.00 130 A 8.82 4.22 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 0.00 131 I 8.24 3.53 1.73 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.77 0.39 0.00 0.00 132 P 0.00 4.21 0.00 2.08 1.93 0.00 3.34 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.05 0.00 133 Q 8.94 3.98 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.91 0.00 0.00 0.00 0.00 0.00 2.37 2.01 0.00 134 E 8.05 4.10 0.00 1.99 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 2.59 2.36 0.00 135 L 7.69 3.94 0.00 1.61 1.46 0.72 0.89 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 0.00 136 R 8.31 3.88 0.00 1.76 2.02 0.00 3.06 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 137 D 8.44 4.34 0.00 2.71 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 0.00 138 A 7.53 4.29 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 0.00 139 L 8.18 4.25 0.00 1.88 1.75 0.97 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 140 A 8.47 4.00 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 0.00 141 A 8.04 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 142 L 7.85 4.36 0.00 1.79 1.56 0.23 0.44 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 0.00 143 Q 7.77 4.79 0.00 2.14 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.65 0.00 0.00 0.00 0.00 0.00 2.45 2.25 0.00 144 S 8.34 4.68 0.00 3.73 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 0.00 145 S 8.55 4.37 0.00 3.67 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 0.00 146 A 7.71 4.22 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 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.