NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.8018 8.1400 114.8027 58.2160 64.5148 173.3600 2 L 4.1436 8.3400 119.9181 56.6617 41.5674 177.6712 3 L 4.0014 8.3055 121.2466 58.4807 42.6510 177.8225 4 E 4.1081 7.9562 118.0138 59.3409 29.4813 178.7305 5 F 4.7831 8.5375 120.8987 61.6500 39.4708 177.3620 6 G 3.5911 8.3196 105.0992 47.7226 0.0000 175.7900 7 K 4.0832 7.9560 120.2185 59.4736 32.0708 179.3748 8 M 4.0619 7.9657 118.4913 58.4633 31.9730 178.3958 9 I 3.5667 7.4519 119.8121 64.3109 37.2870 177.7820 10 L 4.7115 7.6350 122.1246 57.8789 41.7301 178.8934 11 E 4.2287 8.5074 115.6548 58.0410 29.4139 177.3456 12 E 4.5938 7.8940 116.9854 56.4805 31.9833 176.8145 13 T 4.2876 8.6423 106.9868 60.7305 70.4098 175.7230 14 G 3.7670 8.1685 110.5998 45.9034 0.0000 173.1988 *16 K 4.7151 7.3949 117.6028 55.8238 33.6388 174.9859 17 L 4.4145 8.0983 120.7751 54.3616 42.4772 178.0089 18 A 4.1259 8.8894 126.5941 54.6879 18.5009 177.2213 19 I 4.7225 7.5972 115.0438 59.2357 39.1601 173.5414 20 P 5.2107 0.0000 0.0000 62.1360 31.4585 176.8466 21 S 4.2530 7.5603 116.3028 61.4544 62.7854 174.6527 22 Y 4.8131 8.6336 115.1494 57.3241 39.4553 176.1351 23 S 4.5726 8.1702 115.7064 59.7982 64.5986 174.4598 24 S 4.9777 7.8311 115.9807 57.5865 62.8851 172.5282 25 Y 5.0208 8.5823 122.3262 57.4185 42.1099 175.5892 26 G 3.2155 7.9888 115.7767 47.2517 0.0000 173.8257 27 C 4.5310 10.1139 117.9383 57.6739 41.1403 173.9869 28 Y 4.5297 9.1860 114.4591 57.9028 39.3811 175.9820 29 C 4.8236 8.1698 120.4321 53.3628 38.9747 172.9884 30 G 4.2112 7.2592 107.0777 45.7631 0.0000 170.0950 31 W 4.1569 9.3434 118.6775 59.7526 29.3145 177.5325 32 G 3.9125 8.2468 105.3673 47.1125 0.0000 173.0174 33 G 4.3904 7.8081 109.2175 45.3430 0.0000 171.8361 34 K 4.4758 7.2031 124.9879 55.9743 35.9179 177.6545 35 G 3.8925 8.7443 110.5753 45.0918 0.0000 172.0542 36 T 4.5274 8.1335 116.6461 60.8036 70.4142 172.6537 37 P 4.5465 0.0000 0.0000 62.5924 31.8835 176.6103 38 K 3.8323 8.6363 123.3278 59.0365 32.2984 176.0202 39 D 4.5493 7.2998 115.3236 51.3682 41.9800 174.7561 40 A 3.9826 8.9069 119.4861 56.1411 18.2775 179.8282 41 T 4.0055 8.0635 113.6776 67.1067 68.5436 176.0377 42 D 4.5861 8.5059 119.6485 57.5012 41.2051 178.2365 43 R 3.8553 8.2607 119.3498 59.6037 29.9143 177.8477 44 C 4.2855 8.4728 116.5843 60.2375 34.3469 175.4853 45 C 4.3315 8.2298 117.7989 59.6220 38.2942 175.8680 46 F 3.7359 8.3201 122.4814 61.4505 38.9475 177.7507 47 V 3.2310 7.8110 111.9038 64.3885 31.2463 178.1018 48 H 3.8698 7.8689 117.8512 59.0180 29.4990 177.1141 49 D 4.1534 7.5532 120.5482 57.3062 40.4688 178.0478 50 C 4.1706 7.4280 116.1158 59.5883 34.7387 175.1098 51 C 4.2748 7.9694 120.5519 59.7616 43.8225 175.2085 52 Y 4.2515 7.8034 118.5304 61.0719 37.2782 178.6426 53 G 3.8072 8.3609 105.4525 46.8502 0.0000 174.2114 54 N 4.9795 7.4206 117.1101 52.3376 40.6034 175.6358 55 L 4.7686 7.5150 119.9618 52.1378 41.5440 174.4832 56 P 4.2053 0.0000 0.0000 65.5843 32.1423 178.9338 *59 D 4.7025 7.8260 115.5147 52.8926 41.2585 175.1549 *61 C 5.2207 7.5751 116.5367 57.4537 40.4873 172.4520 *67 N 4.8625 7.9385 117.1228 52.6530 38.4381 172.3938 68 P 3.7682 0.0000 0.0000 65.0451 31.7748 178.9335 69 K 4.0850 7.7332 115.3758 58.7141 32.1658 177.9926 70 S 4.4547 7.6831 114.1697 60.0720 63.6734 174.0974 71 D 4.3210 7.8893 117.8201 55.2756 40.9931 177.3273 72 R 4.4491 8.5732 121.9715 54.8700 31.6627 174.5780 73 Y 4.8685 7.3594 116.1214 56.3327 40.3506 173.5715 74 K 4.9850 8.6465 118.7853 55.0919 35.9017 174.9491 75 Y 5.0585 8.1424 120.0252 56.4381 41.6365 172.6403 76 K 4.5043 9.4135 117.8927 56.0355 36.6555 174.1868 77 R 5.0198 8.5621 119.9475 54.7342 32.1578 175.5920 78 V 4.1896 8.6565 125.9414 61.9628 33.0805 174.6529 79 N 4.0165 9.5741 124.7343 54.3905 35.5042 176.0400 80 G 3.9306 8.5897 106.3071 45.1745 0.0000 173.8427 81 A 4.7038 7.4771 122.0910 50.0883 21.1718 176.7828 82 I 4.2550 8.4132 122.7297 61.6857 38.0009 175.7072 83 V 4.3407 9.2838 127.3496 61.0218 33.9145 173.8862 84 C 4.7515 8.8209 126.5005 56.7218 40.3832 175.6381 85 E 4.2668 8.3443 125.1709 56.0709 29.0351 177.2034 86 K 4.7520 8.2950 116.4274 56.8033 33.7463 177.5404 *88 G 4.1521 7.5661 113.0998 45.3005 0.0000 177.0981 89 T 4.2915 9.8640 119.0306 60.3529 70.8776 174.7962 90 S 4.0383 8.4493 115.2738 61.7625 62.3135 176.6772 91 C 4.2009 8.1198 118.4915 60.1379 41.2266 175.4531 92 E 3.9401 8.3298 120.1064 59.7800 29.1516 179.4375 93 N 4.2071 8.4287 116.2935 56.3646 38.6557 177.6196 94 R 3.8232 8.4515 119.5176 59.3449 30.2276 179.1181 95 I 3.5739 8.1747 119.7996 64.5922 37.0943 177.5909 96 C 3.2644 7.6119 119.0818 59.4998 38.4350 175.5591 97 E 3.6976 7.9999 119.9533 59.1951 28.9018 178.7758 98 C 4.1983 7.9521 116.9322 59.9133 38.5413 175.7741 99 D 3.8184 7.9381 120.4331 57.0084 40.3639 178.6075 100 K 3.7868 7.9938 119.8925 59.4582 32.1146 178.4522 101 A 3.8522 7.5982 120.7346 55.1076 18.1829 179.5238 102 A 3.4607 7.5856 118.4430 55.0918 18.3158 179.5402 103 A 3.8243 8.5930 120.3800 55.6099 18.3341 179.9696 104 I 3.7557 7.8798 118.1299 64.2892 36.9452 177.7975 105 C 4.2066 7.8786 118.9812 59.4035 40.7481 175.4320 106 F 4.6698 8.0524 119.7872 60.5382 38.5998 177.5532 107 R 3.9575 7.8466 118.1261 59.7149 29.7543 178.6136 108 Q 4.1979 8.2682 116.2809 57.9400 28.8465 177.0795 109 N 5.0734 7.6902 116.0193 52.8275 39.6791 176.2833 110 L 4.1107 8.0202 122.0137 57.9630 41.7187 178.8776 111 N 4.6714 8.2425 113.6287 54.4593 37.3155 175.1803 112 T 4.6106 7.8904 107.7712 61.2145 69.6095 173.3585 113 Y 4.1112 8.0717 123.9635 57.9059 39.4627 175.0224 114 S 4.7240 8.4163 121.1380 56.0526 65.1139 175.0609 115 K 4.1444 8.6441 126.6786 59.0040 32.0922 179.1517 116 K 3.9262 7.5717 117.0221 59.0570 32.5806 177.2116 117 Y 4.6444 7.3555 116.6196 57.7981 37.7745 175.0382 118 M 4.4929 7.7113 121.1650 55.9436 32.7917 176.2770 119 L 4.2849 8.8476 120.9239 55.4658 40.1691 174.3293 120 Y 3.9645 7.3408 118.5022 57.3933 39.1215 174.2720 121 P 4.3886 0.0000 0.0000 62.0827 32.2901 177.0395 122 D 4.3906 8.6619 122.4383 55.5317 39.6668 177.5925 *124 F 4.8650 7.8595 113.6051 56.4225 39.4560 175.1522 125 L 4.2860 6.9525 120.1804 54.9192 41.7293 176.4943 126 C 4.6713 7.7263 117.6274 55.2388 38.5490 172.8737 127 K 4.7310 8.0809 123.2048 54.8996 35.1196 174.9867 128 G 4.3783 8.2268 105.5979 45.1825 0.0000 172.8280 129 E 4.7967 8.3871 115.8223 55.6831 31.8837 175.0935 130 L 4.4953 8.3462 121.0895 53.4796 44.9824 175.8664 131 K 4.2062 8.5495 124.8861 56.0676 33.3099 177.2976 *133 C 4.8202 8.4547 118.6027 57.4336 41.5311 173.9678 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 1 S 8.14 4.80 0.00 4.15 4.36 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 2 L 8.34 4.14 0.00 1.87 1.79 1.01 0.35 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 3 L 8.31 4.00 0.00 1.62 1.66 0.93 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 4 E 7.96 4.11 0.00 1.78 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 1.47 2.18 0.00 5 F 8.54 4.78 0.00 3.38 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 6 G 8.32 3.59 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 0.00 0.00 0.00 7 K 7.96 4.08 0.00 2.14 2.08 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.52 1.52 7.81 8 M 7.97 4.06 0.00 2.05 2.38 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.25 0.00 9 I 7.45 3.57 1.64 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.29 0.59 0.00 0.00 10 L 7.63 4.71 0.00 1.83 1.95 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.51 4.23 0.00 2.22 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 2.40 2.49 0.00 12 E 7.89 4.59 0.00 2.00 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 2.28 2.32 0.00 13 T 8.64 4.29 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 1.24 0.00 0.00 14 G 8.17 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.39 4.72 0.00 1.79 1.65 0.00 1.72 0.00 0.00 1.53 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.35 7.81 17 L 8.10 4.41 0.00 1.74 1.81 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.89 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 I 7.60 4.72 1.91 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.72 0.98 0.00 0.00 20 P 0.00 5.21 0.00 2.21 2.16 0.00 3.37 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.95 0.00 21 S 7.56 4.25 0.00 3.93 3.41 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 22 Y 8.63 4.81 0.00 2.79 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 23 S 8.17 4.57 0.00 4.13 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 0.00 24 S 7.83 4.98 0.00 4.07 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 25 Y 8.58 5.02 0.00 3.01 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 26 G 7.99 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 10.11 4.53 0.00 3.04 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 28 Y 9.19 4.53 0.00 3.07 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 29 C 8.17 4.82 0.00 3.51 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 30 G 7.26 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 0.00 0.00 0.00 0.00 31 W 9.34 4.16 0.00 3.33 3.36 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 32 G 8.25 3.91 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 0.00 0.00 0.00 33 G 7.81 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 0.00 0.00 0.00 0.00 34 K 7.20 4.48 0.00 1.61 1.56 0.00 1.83 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.46 7.81 35 G 8.74 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 0.00 0.00 0.00 36 T 8.13 4.53 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 1.13 0.00 0.00 37 P 0.00 4.55 0.00 1.88 1.98 0.00 3.44 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.60 0.00 38 K 8.64 3.83 0.00 0.79 0.74 0.00 0.88 0.00 0.00 0.61 0.00 0.00 2.66 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.03 0.21 7.81 39 D 7.30 4.55 0.00 2.84 2.84 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 40 A 8.91 3.98 1.42 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 0.00 0.00 41 T 8.06 4.01 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 1.07 0.00 0.00 42 D 8.51 4.59 0.00 3.03 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.26 3.86 0.00 2.11 2.04 0.00 3.03 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 44 C 8.47 4.29 0.00 3.41 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 45 C 8.23 4.33 0.00 3.42 3.50 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 46 F 8.32 3.74 0.00 2.28 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 47 V 7.81 3.23 1.99 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 0.90 0.00 0.00 0.82 0.00 0.00 48 H 7.87 3.87 0.00 2.97 3.28 0.00 5.58 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 49 D 7.55 4.15 0.00 2.98 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 50 C 7.43 4.17 0.00 2.75 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 51 C 7.97 4.27 0.00 2.95 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 52 Y 7.80 4.25 0.00 3.01 2.81 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 0.00 0.00 0.00 53 G 8.36 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 54 N 7.42 4.98 0.00 2.71 2.78 0.00 0.00 6.76 9.19 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 55 L 7.51 4.77 0.00 1.61 1.50 0.83 0.71 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 56 P 0.00 4.21 0.00 2.20 2.29 0.00 3.74 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 2.08 1.94 0.00 *59 D 7.83 4.70 0.00 2.85 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 *61 C 7.58 5.22 0.00 2.91 3.05 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 0.00 0.00 0.00 0.00 *67 N 7.94 4.86 0.00 2.75 2.72 0.00 0.00 7.65 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 68 P 0.00 3.77 0.00 1.09 0.49 0.00 3.42 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 69 K 7.73 4.09 0.00 1.72 1.84 0.00 1.69 0.00 0.00 1.58 0.00 0.00 3.01 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.21 1.39 7.81 70 S 7.68 4.45 0.00 3.87 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 71 D 7.89 4.32 0.00 2.67 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 72 R 8.57 4.45 0.00 1.78 1.78 0.00 3.49 0.00 0.00 3.91 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.49 0.00 73 Y 7.36 4.87 0.00 3.02 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 74 K 8.65 4.98 0.00 1.73 1.71 0.00 1.66 0.00 0.00 1.87 0.00 0.00 2.91 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.47 1.36 7.81 75 Y 8.14 5.06 0.00 3.11 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 76 K 9.41 4.50 0.00 1.79 1.90 0.00 1.28 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.60 1.43 7.81 77 R 8.56 5.02 0.00 1.85 1.87 0.00 3.35 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 78 V 8.66 4.19 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 0.96 0.00 0.00 0.96 0.00 0.00 79 N 9.57 4.02 0.00 2.93 2.93 0.00 0.00 7.27 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 80 G 8.59 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 0.00 0.00 0.00 81 A 7.48 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 82 I 8.41 4.25 1.80 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.56 0.64 0.00 0.00 83 V 9.28 4.34 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 1.11 0.00 0.00 0.96 0.00 0.00 84 C 8.82 4.75 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 85 E 8.34 4.27 0.00 2.13 1.88 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 2.40 2.45 0.00 86 K 8.30 4.75 0.00 1.76 1.65 0.00 1.63 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.47 7.81 *88 G 7.57 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 0.00 0.00 0.00 0.00 89 T 9.86 4.29 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 90 S 8.45 4.04 0.00 3.89 3.88 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 91 C 8.12 4.20 0.00 2.98 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 92 E 8.33 3.94 0.00 2.23 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 2.61 2.42 0.00 93 N 8.43 4.21 0.00 2.94 2.80 0.00 0.00 7.09 7.21 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 94 R 8.45 3.82 0.00 1.94 1.90 0.00 3.09 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 95 I 8.17 3.57 1.71 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 1.19 0.93 0.89 0.00 0.00 96 C 7.61 3.26 0.00 2.04 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 97 E 8.00 3.70 0.00 2.11 1.88 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 2.44 2.41 0.00 98 C 7.95 4.20 0.00 3.18 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 99 D 7.94 3.82 0.00 2.78 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 0.00 100 K 7.99 3.79 0.00 1.67 1.75 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.37 7.81 101 A 7.60 3.85 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 0.00 102 A 7.59 3.46 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.59 3.82 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 0.00 104 I 7.88 3.76 1.85 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.70 0.88 0.00 0.00 105 C 7.88 4.21 0.00 2.95 2.96 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 0.00 106 F 8.05 4.67 0.00 3.11 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 0.00 107 R 7.85 3.96 0.00 1.86 2.06 0.00 3.11 0.00 0.00 3.47 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.95 0.00 108 Q 8.27 4.20 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.98 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 109 N 7.69 5.07 0.00 2.83 2.86 0.00 0.00 6.82 6.48 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 0.00 110 L 8.02 4.11 0.00 1.96 1.75 0.90 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.24 4.67 0.00 2.86 2.97 0.00 0.00 5.79 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 0.00 112 T 7.89 4.61 4.32 0.00 0.00 0.00 0.00 0.00 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 0.00 113 Y 8.07 4.11 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 0.00 114 S 8.42 4.72 0.00 3.80 3.51 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 0.00 115 K 8.64 4.14 0.00 1.84 1.86 0.00 1.77 0.00 0.00 1.88 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.60 1.56 7.81 116 K 7.57 3.93 0.00 1.65 1.70 0.00 1.18 0.00 0.00 1.38 0.00 0.00 2.13 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.56 0.21 7.81 117 Y 7.36 4.64 0.00 2.01 1.72 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 0.00 118 M 7.71 4.49 0.00 2.15 2.22 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 2.82 2.67 0.00 119 L 8.85 4.28 0.00 1.77 1.76 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 120 Y 7.34 3.96 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 0.00 121 P 0.00 4.39 0.00 1.23 2.03 0.00 2.44 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.91 0.00 122 D 8.66 4.39 0.00 2.94 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 *124 F 7.86 4.86 0.00 3.18 3.23 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 0.00 125 L 6.95 4.29 0.00 1.30 1.57 0.16 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 126 C 7.73 4.67 0.00 3.13 3.25 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 0.00 127 K 8.08 4.73 0.00 1.81 1.70 0.00 1.68 0.00 0.00 1.85 0.00 0.00 2.95 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.45 1.43 7.81 128 G 8.23 4.38 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 0.00 129 E 8.39 4.80 0.00 2.06 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 2.18 2.37 0.00 130 L 8.35 4.50 0.00 1.65 1.53 0.31 0.79 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 0.00 131 K 8.55 4.21 0.00 1.84 1.72 0.00 1.77 0.00 0.00 1.84 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.56 1.50 7.81 *133 C 8.45 4.82 0.00 2.98 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 * Residues marked with a * may have inaccurate shift predictions.