NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 V 4.2743 8.0393 120.6586 63.2104 32.8499 174.1666 5 T 4.6460 8.5018 116.8115 59.5171 73.0481 171.0136 6 I 4.5058 8.4377 123.0833 61.1005 37.8279 177.4900 7 V 3.9498 8.9251 127.9800 64.9569 32.3554 176.1018 8 K 4.6046 7.6601 119.5799 55.0490 35.4151 174.3012 9 E 5.3187 8.5454 122.9011 54.4328 33.0321 174.4237 10 G 4.0194 7.7595 109.1083 45.9045 0.0000 171.5920 11 W 5.1709 8.8176 120.3223 56.6970 29.8251 176.6331 12 V 4.8227 9.4084 116.8546 59.8137 36.1011 174.3889 13 Q 5.0249 8.8191 121.4789 54.9543 30.6557 174.9890 14 K 4.8607 9.2007 123.9170 54.4501 35.7533 175.6638 15 R 4.1697 8.3500 126.6222 55.7644 30.5561 176.9796 16 G 4.1247 7.9827 109.5431 45.7534 0.0000 173.7855 17 E 4.0320 8.7860 120.2470 58.4067 29.9102 177.6816 18 Y 4.4576 7.9950 114.1403 58.3725 40.2503 175.9562 19 I 4.4953 7.4560 120.0651 59.2709 39.4104 176.3912 20 K 4.0332 8.5424 123.8254 57.4966 32.7017 177.0159 21 N 4.2884 7.9580 117.0384 53.5048 39.6060 174.2718 22 W 4.8805 8.6003 122.1497 57.0462 30.0561 175.8990 23 R 4.9782 9.1533 122.2556 53.6627 34.2977 172.8397 24 P 5.1386 0.0000 0.0000 63.2713 32.3797 175.7923 25 R 5.0861 9.7199 120.7490 55.1450 35.3982 173.3053 26 Y 4.3409 8.8598 124.6195 56.1771 40.1370 174.2618 27 F 5.0434 8.5961 125.7944 55.5453 42.4233 174.6284 28 L 5.3082 8.9488 121.9747 53.0067 44.8596 175.0452 29 L 5.3025 9.4365 126.7214 53.6945 43.9753 175.5056 30 K 5.2184 8.8834 125.8282 54.6014 34.8033 177.7619 31 T 3.9191 8.5936 112.4889 64.4192 68.7180 175.0358 32 D 4.4988 8.0556 119.7839 53.5861 39.7944 177.0728 33 G 3.9536 8.4235 109.6089 45.2531 0.0000 173.6942 34 S 4.5970 8.3630 116.9106 58.4337 64.4005 173.2785 35 F 5.4004 9.0239 125.9023 56.7121 41.8595 173.4045 36 I 4.6526 8.8056 127.8151 59.1936 40.1287 174.9918 37 G 2.8830 8.0426 114.0970 43.9258 0.0000 171.7289 38 Y 5.0683 8.4886 121.4054 55.5018 41.5580 176.9012 39 K 4.0693 8.9535 122.4869 59.1892 32.5586 176.3185 40 E 4.8257 7.6442 113.8596 54.0120 32.7717 174.3311 41 K 2.7849 8.1665 120.6649 55.3564 32.3017 175.7725 42 P 3.9627 0.0000 0.0000 65.5289 31.4832 178.4739 43 Q 3.8602 7.7826 117.1992 59.0451 28.6098 177.0752 44 D 4.5829 7.8540 116.8607 55.4767 40.8012 176.9937 45 V 4.5391 7.3029 118.2851 59.6347 35.7950 180.4771 46 D 4.5588 8.9293 123.1286 56.3005 40.0340 178.2354 47 L 4.8242 7.4063 119.3481 51.2251 41.4307 174.8479 48 P 4.5402 0.0000 0.0000 62.7680 32.5351 177.2157 *49 Y 4.6568 8.3497 119.4694 54.0330 39.9172 171.3285 50 P 3.8972 0.0000 0.0000 61.8547 31.8559 176.4819 51 L 4.4049 8.2658 122.3658 56.1339 42.6218 176.7651 52 N 5.1153 7.5248 115.0476 51.7442 43.4256 173.6861 53 N 5.0392 8.7340 120.7400 53.1784 40.8258 173.1318 54 F 5.1008 8.5143 121.2006 55.2670 42.1194 173.6516 55 S 4.9184 8.7750 114.2451 57.8240 63.3704 174.2555 56 V 4.1223 8.5688 119.2569 60.9710 31.7353 175.9242 57 A 4.1048 7.7586 124.0443 53.7968 18.4417 177.9315 58 K 3.9069 8.8460 120.2021 57.1246 29.7173 175.6645 59 C 4.6909 7.8257 113.8585 58.3786 30.7064 172.7280 60 Q 4.8643 8.7263 118.0470 54.1522 32.0844 174.7309 61 L 5.3965 8.4077 120.1107 53.4053 45.4479 175.9249 62 M 4.9421 9.0944 121.8714 53.4645 36.1578 174.3968 63 K 5.3386 8.8132 121.6635 54.9728 35.0731 175.3953 64 T 4.8732 9.0104 113.4718 60.5045 72.6734 174.0194 65 E 4.8244 9.0041 118.5648 55.9626 31.2910 176.4966 66 R 4.7784 7.6958 117.5045 53.4742 33.5679 173.8263 67 P 4.4247 0.0000 0.0000 64.4620 31.8560 176.4421 68 K 4.4797 7.8153 118.0689 53.4199 34.0066 174.2996 69 P 4.5381 0.0000 0.0000 63.8443 32.1398 175.2575 70 N 4.3576 9.1120 115.3462 54.8546 36.6822 174.3182 71 T 4.9341 7.7914 114.4776 63.1758 70.2452 174.2057 72 F 5.6282 9.2297 119.9560 55.2294 41.7101 173.5276 73 I 4.9714 9.2170 122.7074 59.7214 39.9658 174.3841 74 I 4.8446 9.0022 128.5396 59.6841 39.4117 174.8446 75 R 4.5184 9.1898 129.4795 55.5967 30.9099 174.6971 76 C 4.9981 9.1038 125.4046 58.1059 30.5963 172.7653 77 L 5.1328 8.4971 126.1639 54.0473 44.8017 176.6387 78 Q 4.0047 8.5647 123.9896 54.0435 32.4627 173.9193 79 W 3.7472 8.2279 126.6138 57.4579 27.5473 176.1550 80 T 4.4958 9.2472 117.7270 62.4535 69.3966 174.2037 81 T 4.2554 8.2004 121.2273 63.0325 69.3009 173.4636 82 V 4.6609 8.2532 126.5033 61.7239 33.0351 174.9612 83 I 4.5284 8.5502 128.1371 59.5408 40.6447 174.1757 84 E 4.8658 8.7625 126.7656 55.4312 30.7843 175.8917 85 R 4.4802 8.8325 123.0396 54.4957 33.6720 174.7368 86 T 4.9416 7.8659 119.0158 61.7582 71.6142 173.0776 87 F 5.4256 9.0847 124.3100 56.0205 43.4578 173.5397 88 H 5.3998 9.1971 115.4895 54.6003 32.2661 172.6151 89 V 5.2161 8.3879 112.6589 60.0284 35.0275 174.9241 90 D 4.7951 8.9854 118.8077 54.1232 40.5476 176.6456 91 T 4.7963 7.4513 110.2853 58.6625 73.3298 172.7234 92 P 4.5139 0.0000 0.0000 65.4285 31.4575 178.6445 93 E 3.9389 8.1166 118.2320 59.2174 29.5651 178.6251 94 E 3.9310 8.2385 119.4615 59.1347 29.6351 178.7945 95 R 3.9976 8.0168 118.5301 59.5546 30.1586 178.1297 96 E 3.9407 8.2765 120.4469 58.5576 29.5721 178.3930 97 E 3.8085 8.1368 118.7328 59.2764 29.4565 179.5294 98 W 4.0612 7.7015 118.3397 59.9972 28.8172 178.8438 99 T 3.7670 8.0012 110.0525 64.4337 68.2034 176.6405 100 E 3.8865 8.4915 121.7015 59.2085 29.4750 179.1308 101 A 3.9040 7.9167 120.6714 55.0838 18.3849 179.6967 102 I 3.4778 7.9549 118.6629 64.6411 37.1763 178.4831 103 Q 3.8961 7.9897 120.0805 59.1169 28.8308 178.1874 104 A 4.0068 8.1474 121.9770 54.9117 18.3426 179.8333 105 V 3.4794 8.0087 116.7746 66.0562 31.6350 178.1006 106 A 3.9701 8.1086 120.5976 55.3296 18.1805 179.3485 107 D 4.2957 8.5138 117.8140 57.3911 40.8141 178.9678 108 R 3.8691 8.0168 119.2180 59.4967 30.0667 178.5933 109 L 3.9751 8.0889 118.8465 57.7540 41.5848 179.3713 110 Q 3.9253 8.1378 119.6243 59.1120 29.0161 178.1254 111 R 3.9034 8.1505 119.8331 59.5302 30.1595 178.5064 112 Q 4.1319 8.3020 117.9809 58.8920 28.7418 178.2360 113 E 3.9324 8.3602 120.4041 59.5303 29.7354 178.8369 114 E 4.0101 8.3148 118.4495 59.4350 29.2530 179.2209 115 E 4.0845 8.3287 120.4579 59.8328 29.5367 180.0183 116 R 4.1632 7.8634 122.3095 62.4490 29.6774 181.7666 117 M 4.3381 7.8767 119.6984 57.2118 31.4250 177.8406 118 N 4.7574 7.8398 118.6937 54.2817 39.4310 173.9118 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 V 8.04 4.27 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 1.00 0.00 0.00 0.94 0.00 0.00 5 T 8.50 4.65 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 6 I 8.44 4.51 1.89 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 1.29 0.59 1.00 0.00 0.00 7 V 8.93 3.95 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 0.64 0.00 0.00 0.92 0.00 0.00 8 K 7.66 4.60 0.00 1.44 0.99 0.00 1.00 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.89 7.81 9 E 8.55 5.32 0.00 2.06 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 2.19 2.40 0.00 10 G 7.76 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 0.00 0.00 0.00 11 W 8.82 5.17 0.00 3.39 3.26 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 12 V 9.41 4.82 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 0.64 0.00 0.00 1.20 0.00 0.00 13 Q 8.82 5.02 0.00 1.46 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.77 0.00 0.00 0.00 0.00 0.00 2.21 2.07 0.00 14 K 9.20 4.86 0.00 1.78 1.63 0.00 1.88 0.00 0.00 1.75 0.00 0.00 2.62 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.93 0.25 7.81 15 R 8.35 4.17 0.00 1.21 1.43 0.00 2.65 0.00 0.00 2.74 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 16 G 7.98 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.79 4.03 0.00 1.76 1.52 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 2.24 2.21 0.00 18 Y 8.00 4.46 0.00 2.92 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 19 I 7.46 4.50 1.89 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 1.43 1.33 0.90 0.00 0.00 20 K 8.54 4.03 0.00 1.60 1.62 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.86 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.27 1.34 7.81 21 N 7.96 4.29 0.00 2.70 2.79 0.00 0.00 7.15 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 22 W 8.60 4.88 0.00 3.18 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 23 R 9.15 4.98 0.00 1.85 1.85 0.00 3.18 0.00 0.00 3.32 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 24 P 0.00 5.14 0.00 2.18 2.18 0.00 3.84 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 2.09 1.99 0.00 25 R 9.72 5.09 0.00 2.07 1.91 0.00 3.15 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.94 0.00 26 Y 8.86 4.34 0.00 1.62 2.41 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 27 F 8.60 5.04 0.00 2.65 2.41 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 28 L 8.95 5.31 0.00 1.75 1.69 1.11 0.53 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 29 L 9.44 5.30 0.00 2.15 1.92 0.84 0.38 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 30 K 8.88 5.22 0.00 1.92 1.71 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.43 7.81 31 T 8.59 3.92 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 32 D 8.06 4.50 0.00 2.82 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.42 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 0.00 0.00 0.00 34 S 8.36 4.60 0.00 3.83 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 35 F 9.02 5.40 0.00 2.66 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 0.00 0.00 0.00 36 I 8.81 4.65 1.82 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 1.20 0.67 0.44 0.00 0.00 37 G 8.04 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 0.00 0.00 0.00 38 Y 8.49 5.07 0.00 2.74 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 39 K 8.95 4.07 0.00 1.79 1.93 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.55 7.81 40 E 7.64 4.83 0.00 2.36 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 2.17 1.86 0.00 41 K 8.17 2.78 0.00 1.06 1.50 0.00 1.19 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.12 0.21 7.81 42 P 0.00 3.96 0.00 1.80 1.16 0.00 3.26 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.90 0.00 43 Q 7.78 3.86 0.00 1.90 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.24 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 44 D 7.85 4.58 0.00 2.74 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 45 V 7.30 4.54 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 0.67 0.00 0.00 0.93 0.00 0.00 46 D 8.93 4.56 0.00 2.69 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 0.00 0.00 0.00 0.00 47 L 7.41 4.82 0.00 1.60 1.45 0.92 0.85 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 48 P 0.00 4.54 0.00 2.09 1.91 0.00 3.67 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.83 0.00 *49 Y 8.35 4.66 0.00 2.29 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 P 0.00 3.90 0.00 1.81 1.47 0.00 3.58 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 1.88 1.72 0.00 51 L 8.27 4.40 0.00 1.41 1.70 0.95 1.05 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 52 N 7.52 5.12 0.00 2.59 2.95 0.00 0.00 6.58 6.92 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 53 N 8.73 5.04 0.00 2.57 2.68 0.00 0.00 6.80 7.02 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 54 F 8.51 5.10 0.00 3.17 3.09 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 0.00 0.00 0.00 55 S 8.78 4.92 0.00 3.85 3.80 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 56 V 8.57 4.12 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.92 0.00 0.00 57 A 7.76 4.10 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 58 K 8.85 3.91 0.00 1.92 1.93 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.41 7.81 59 C 7.83 4.69 0.00 3.15 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 60 Q 8.73 4.86 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.80 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 61 L 8.41 5.40 0.00 1.48 1.55 0.88 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 62 M 9.09 4.94 0.00 1.94 1.95 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.66 0.00 63 K 8.81 5.34 0.00 1.65 1.77 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.45 7.81 64 T 9.01 4.87 4.29 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 1.26 0.00 0.00 65 E 9.00 4.82 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.25 0.00 66 R 7.70 4.78 0.00 1.76 1.81 0.00 3.39 0.00 0.00 3.29 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 67 P 0.00 4.42 0.00 2.28 2.24 0.00 3.83 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.07 0.00 68 K 7.82 4.48 0.00 1.58 1.26 0.00 1.22 0.00 0.00 1.51 0.00 0.00 2.50 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 0.52 7.81 69 P 0.00 4.54 0.00 2.01 1.98 0.00 3.69 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.09 0.00 70 N 9.11 4.36 0.00 3.19 3.02 0.00 0.00 7.24 6.66 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 71 T 7.79 4.93 4.52 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 1.46 0.00 0.00 72 F 9.23 5.63 0.00 3.09 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 73 I 9.22 4.97 1.94 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 1.25 1.08 0.97 0.00 0.00 74 I 9.00 4.84 2.06 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.93 1.02 0.00 0.00 75 R 9.19 4.52 0.00 1.84 1.83 0.00 3.07 0.00 0.00 3.28 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 76 C 9.10 5.00 0.00 2.80 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 77 L 8.50 5.13 0.00 1.56 1.47 0.92 0.63 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 78 Q 8.56 4.00 0.00 1.98 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 5.59 0.00 0.00 0.00 0.00 0.00 2.19 2.20 0.00 79 W 8.23 3.75 0.00 3.63 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 0.00 0.00 0.00 0.00 80 T 9.25 4.50 4.29 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 1.28 0.00 0.00 81 T 8.20 4.26 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 1.25 0.00 0.00 82 V 8.25 4.66 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 0.80 0.00 0.00 0.93 0.00 0.00 83 I 8.55 4.53 1.71 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.42 0.72 0.00 0.00 84 E 8.76 4.87 0.00 1.76 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 2.23 2.28 0.00 85 R 8.83 4.48 0.00 1.68 1.56 0.00 2.21 0.00 0.00 2.64 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.19 0.00 86 T 7.87 4.94 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 1.18 0.00 0.00 87 F 9.08 5.43 0.00 1.51 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 H 9.20 5.40 0.00 3.14 3.05 0.00 5.20 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 V 8.39 5.22 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 1.08 0.00 0.00 1.33 0.00 0.00 90 D 8.99 4.80 0.00 2.77 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 91 T 7.45 4.80 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 92 P 0.00 4.51 0.00 2.30 2.38 0.00 3.89 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.93 0.00 93 E 8.12 3.94 0.00 2.08 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 0.00 2.39 2.42 0.00 94 E 8.24 3.93 0.00 2.16 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 2.50 2.59 0.00 95 R 8.02 4.00 0.00 2.14 2.14 0.00 3.41 0.00 0.00 3.42 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 96 E 8.28 3.94 0.00 2.23 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 2.28 2.35 0.00 97 E 8.14 3.81 0.00 1.94 1.69 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 2.22 2.49 0.00 98 W 7.70 4.06 0.00 2.96 2.47 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 99 T 8.00 3.77 4.15 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 0.95 0.00 0.00 100 E 8.49 3.89 0.00 1.99 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 2.28 2.34 0.00 101 A 7.92 3.90 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 0.00 102 I 7.95 3.48 1.77 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 0.90 0.50 0.76 0.00 0.00 103 Q 7.99 3.90 0.00 2.21 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.54 0.00 104 A 8.15 4.01 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 0.00 105 V 8.01 3.48 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 1.01 0.00 0.00 0.92 0.00 0.00 106 A 8.11 3.97 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 0.00 107 D 8.51 4.30 0.00 2.79 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 0.00 108 R 8.02 3.87 0.00 1.88 2.07 0.00 3.08 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 109 L 8.09 3.98 0.00 1.86 1.70 0.98 0.80 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 Q 8.14 3.93 0.00 2.26 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.53 0.00 111 R 8.15 3.90 0.00 2.00 2.04 0.00 3.27 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 112 Q 8.30 4.13 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.55 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 113 E 8.36 3.93 0.00 2.12 2.14 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 2.32 2.37 0.00 114 E 8.31 4.01 0.00 2.22 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 2.33 2.52 0.00 115 E 8.33 4.08 0.00 2.10 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 2.35 2.40 0.00 116 R 7.86 4.16 0.00 1.94 1.84 0.00 3.27 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 117 M 7.88 4.34 0.00 2.14 2.01 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.45 0.00 118 N 7.84 4.76 0.00 2.89 2.83 0.00 0.00 6.83 7.46 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 * Residues marked with a * may have inaccurate shift predictions.