NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 S 4.3111 8.3349 115.3886 58.6805 63.9717 174.2548 10 H 4.2198 7.6177 116.3193 54.0417 31.0070 173.1984 *12 F 4.7164 8.2842 123.2306 57.5717 40.7878 174.9756 13 S 4.7657 8.9425 117.5136 57.0169 63.8396 173.2895 14 D 4.4927 7.5886 117.5233 54.4891 43.4321 175.4559 15 C 5.2275 8.5835 124.9407 55.0816 48.1405 172.8347 16 R 4.4607 8.5756 121.0628 54.9537 32.0126 173.6935 17 F 4.0610 8.8375 121.0611 60.0388 39.5981 175.2729 18 G 3.7229 10.2211 116.5675 45.2639 0.0000 172.1144 19 S 5.6316 7.7727 112.6372 58.2058 66.4273 173.8609 20 V 5.0964 8.4230 118.1187 60.1354 36.5548 173.9687 21 T 5.2382 9.1427 120.0741 62.0687 71.0257 172.4900 22 Y 4.6883 9.1356 127.7568 56.1809 41.9725 175.6249 23 R 3.1678 9.0512 125.0340 57.1364 27.7839 177.4291 24 G 3.9409 8.4481 105.0499 45.2193 0.0000 174.0241 25 R 4.5305 7.7776 119.4628 54.2339 32.4817 175.0874 26 E 4.7504 8.4694 124.4222 55.7695 31.1487 174.8890 27 Y 4.6852 9.2140 123.4849 56.3424 41.2541 176.2597 28 R 4.9452 9.1348 121.3892 55.3433 30.6775 175.4381 29 S 4.7460 7.5650 111.7368 56.3657 66.7413 173.3517 30 D 5.1414 9.0109 119.8559 54.4090 41.5298 175.9617 31 I 4.9199 8.2693 115.3110 58.9911 41.9059 174.0191 32 V 4.5145 8.9410 123.8435 61.2051 33.7119 174.4459 33 V 4.3754 8.7706 129.3389 61.4093 32.8331 175.1259 34 H 4.7388 8.7272 125.8452 54.8981 29.5821 176.7869 35 V 3.8572 8.4970 121.9915 66.3625 31.2401 177.1291 36 D 4.4926 8.0224 116.3717 54.2856 39.5176 176.9349 37 G 3.9726 8.5642 109.8269 45.5756 0.0000 174.0468 38 S 4.5476 8.4345 114.8699 57.7704 64.1811 173.0183 39 V 5.0874 8.0496 120.1194 61.3973 34.2949 174.4274 40 T 4.8434 8.5870 115.6063 59.0640 72.6100 171.3888 41 P 4.7779 0.0000 0.0000 62.2945 32.1304 176.4821 42 R 3.8789 8.6433 124.4675 56.4302 30.9760 177.6982 43 R 4.3894 8.1957 125.8699 54.7160 28.8595 177.3157 44 K 4.0383 7.8513 120.2976 59.1115 32.4775 178.3107 45 E 3.9651 8.1636 119.4563 58.9637 29.1875 178.6029 46 I 3.6648 7.6432 119.7949 64.5778 37.1146 178.5732 47 S 4.1884 7.9845 115.3958 61.4736 62.8814 176.5328 48 R 4.1307 8.3405 123.0686 58.7586 29.5112 178.7169 49 R 4.0108 7.7934 117.3893 58.5650 30.2894 178.2223 50 K 3.9769 7.4937 117.9260 57.9786 31.1866 176.7015 51 Y 4.7745 8.0455 114.2749 56.7832 39.6087 176.8646 52 G 3.8069 9.4252 108.0058 45.4089 0.0000 173.2847 53 T 4.3238 7.1792 111.4800 61.3721 70.5977 173.9354 54 S 4.6293 8.3468 120.1607 59.5744 64.0395 175.2439 55 H 4.2620 8.3049 118.4350 57.1326 28.6525 174.7017 56 V 5.3143 7.3017 118.6152 59.9524 34.2270 174.0609 *58 A 4.5894 8.1866 119.5583 52.0339 19.6951 177.4711 59 E 3.9048 9.0319 120.2579 59.5489 29.5077 179.3201 60 E 4.4255 8.1734 119.2801 58.6957 29.2415 178.9095 61 E 4.0416 8.0585 118.0456 58.9835 29.7253 178.6507 62 L 4.1388 7.8523 118.4196 56.3321 41.6164 178.6710 63 E 3.9188 7.6994 119.4809 59.6326 29.2621 179.2678 64 E 4.1482 8.1064 115.0811 58.9771 29.9101 178.4715 65 L 4.2370 7.6267 119.6043 57.2326 42.0476 178.6436 66 L 3.9849 8.2364 119.3533 57.9873 41.3141 179.4609 67 E 3.9721 7.8843 117.0499 59.1163 29.4502 178.4011 68 E 4.1638 8.0143 116.1329 55.5988 30.8111 176.3377 69 K 3.8552 8.0629 118.6723 56.7655 30.0644 173.6996 70 P 4.4703 0.0000 0.0000 62.4379 32.6575 176.6351 71 E 4.1487 8.9868 122.7107 59.2334 30.2928 177.0617 72 S 4.7119 7.8713 112.3766 56.7764 66.4396 172.7198 73 I 5.0191 8.4537 126.3100 59.6405 40.2303 174.1384 74 I 4.8676 8.9100 128.4094 59.6388 39.6969 174.5796 75 I 4.7429 8.9320 128.6231 59.5387 39.4778 175.2028 76 G 4.1450 9.0363 116.5841 44.9834 0.0000 173.8991 77 S 4.5212 9.1699 121.6790 58.3472 64.1827 173.8764 78 G 4.3046 8.5542 108.0624 43.8995 0.0000 172.9031 79 V 4.3142 7.7680 118.4832 62.8564 32.3791 175.1711 80 H 4.0958 8.0154 122.2076 60.1601 26.1831 174.9889 81 G 3.7139 7.0688 105.2603 41.0000 0.0000 175.5919 82 A 4.5012 8.0958 120.4346 52.4150 22.0472 175.2739 83 L 4.4768 8.1875 122.8014 55.3937 43.7202 176.2876 84 E 4.5566 8.7182 124.6554 55.6016 31.6472 172.2609 85 T 4.2647 8.2099 114.4072 58.5597 70.3210 176.0667 86 G 3.7168 7.6095 118.4440 42.1857 0.0000 171.0270 87 F 4.6193 6.2963 115.6251 57.8862 40.2627 175.1611 88 R 4.7260 8.7589 115.8167 55.4764 31.1643 173.4004 89 S 4.2661 8.4467 114.3884 59.5357 63.1724 173.6376 90 D 4.2992 8.2880 123.7267 54.2164 41.0532 176.3023 91 A 4.4751 7.9942 122.3450 51.8292 21.9470 175.9942 92 T 4.2881 8.4759 119.2056 62.6448 69.5320 174.0380 93 V 4.6899 8.2803 127.3002 61.6184 32.6839 175.0075 94 L 4.8030 8.8644 126.5176 52.3901 47.0022 173.8494 95 P 4.4876 0.0000 0.0000 62.8015 32.1850 177.5396 96 T 3.7359 8.6594 121.0281 67.1621 68.2173 175.7570 97 C 4.4041 8.0286 115.3097 58.9682 41.4458 175.0048 98 E 4.1246 8.5385 120.6667 58.3056 29.4738 178.2910 99 A 4.0149 7.7323 120.7480 55.1451 18.5088 179.5821 100 I 3.4700 7.6510 111.5165 63.7460 37.4185 178.7701 101 K 4.0554 7.9314 120.0001 59.3187 31.9537 179.0543 102 R 3.9035 8.1518 119.0456 59.4378 29.9605 177.8862 103 Y 4.0030 8.5776 119.7170 60.9703 38.9079 177.8030 104 N 4.6089 8.7917 117.4460 56.3172 38.7668 176.8565 105 E 3.9100 8.5051 120.7705 59.6237 29.8834 178.8736 106 E 3.9642 8.5121 118.8086 59.2779 29.4297 179.4762 107 R 3.7574 8.2440 119.3537 59.3842 29.8846 178.7144 108 S 4.1324 8.3414 114.3954 61.3161 62.8881 175.7051 109 A 4.3204 7.5484 120.0603 52.0621 18.1963 178.2429 110 G 3.8632 7.9699 106.0537 45.6459 0.0000 174.5696 111 R 4.1806 7.5313 118.2014 56.1976 31.1326 177.5175 112 R 4.4325 9.1341 122.4413 55.1991 29.8887 175.6366 113 V 5.0103 8.0637 122.2895 59.6716 34.3216 174.7541 114 A 5.1629 8.8848 122.4634 50.6909 23.0615 174.5894 115 A 5.1102 9.0144 119.6736 50.9915 23.6817 175.6068 116 I 4.7435 8.6092 119.2420 59.7405 41.1150 174.7434 117 I 4.5375 8.8075 128.9869 59.6768 39.6195 174.2362 118 H 5.2173 8.9368 128.0524 55.1873 30.7141 175.8666 119 V 3.7831 9.3420 120.1005 62.8490 32.8418 175.6986 120 T 3.9104 6.8912 112.2844 60.1650 72.2364 174.3029 121 C 4.5294 8.8225 115.6140 59.0175 30.0966 173.2901 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 9 S 8.33 4.31 0.00 3.95 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 10 H 7.62 4.22 0.00 3.28 3.38 0.00 5.75 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *12 F 8.28 4.72 0.00 3.17 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 13 S 8.94 4.77 0.00 3.93 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 14 D 7.59 4.49 0.00 2.70 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 C 8.58 5.23 0.00 2.85 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 16 R 8.58 4.46 0.00 2.04 2.00 0.00 2.88 0.00 0.00 3.14 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 17 F 8.84 4.06 0.00 3.05 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 18 G 10.22 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 0.00 0.00 0.00 19 S 7.77 5.63 0.00 3.90 3.67 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.42 5.10 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 0.61 0.00 0.00 1.08 0.00 0.00 21 T 9.14 5.24 4.34 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 1.27 0.00 0.00 22 Y 9.14 4.69 0.00 2.74 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 23 R 9.05 3.17 0.00 1.68 1.77 0.00 2.98 0.00 0.00 3.19 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.50 0.00 24 G 8.45 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 25 R 7.78 4.53 0.00 1.81 1.46 0.00 3.00 0.00 0.00 3.05 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.52 0.00 26 E 8.47 4.75 0.00 1.93 1.73 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 2.23 2.35 0.00 27 Y 9.21 4.69 0.00 2.98 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 28 R 9.13 4.95 0.00 1.81 1.95 0.00 3.40 0.00 0.00 4.01 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.50 0.00 29 S 7.56 4.75 0.00 3.82 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 30 D 9.01 5.14 0.00 2.70 2.64 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 31 I 8.27 4.92 1.48 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.07 0.65 0.00 0.00 32 V 8.94 4.51 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 0.65 0.00 0.00 0.92 0.00 0.00 33 V 8.77 4.38 1.78 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 0.21 0.00 0.00 0.34 0.00 0.00 34 H 8.73 4.74 0.00 3.44 3.37 0.00 5.69 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 V 8.50 3.86 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 0.80 0.00 0.00 0.99 0.00 0.00 36 D 8.02 4.49 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 37 G 8.56 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 0.00 0.00 0.00 38 S 8.43 4.55 0.00 4.03 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 39 V 8.05 5.09 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 0.38 0.00 0.00 0.70 0.00 0.00 40 T 8.59 4.84 4.26 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 1.22 0.00 0.00 41 P 0.00 4.78 0.00 1.96 2.03 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 2.04 2.11 0.00 42 R 8.64 3.88 0.00 1.77 1.82 0.00 3.23 0.00 0.00 3.33 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 43 R 8.20 4.39 0.00 1.91 1.86 0.00 3.18 0.00 0.00 3.33 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 44 K 7.85 4.04 0.00 1.81 1.88 0.00 1.68 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.51 7.81 45 E 8.16 3.97 0.00 2.08 1.94 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 2.37 2.45 0.00 46 I 7.64 3.66 1.99 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.69 0.90 0.00 0.00 47 S 7.98 4.19 0.00 3.94 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 0.00 48 R 8.34 4.13 0.00 1.96 1.98 0.00 3.15 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 49 R 7.79 4.01 0.00 1.86 1.92 0.00 3.19 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.91 0.00 50 K 7.49 3.98 0.00 1.46 1.19 0.00 1.73 0.00 0.00 1.18 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.45 1.13 7.81 51 Y 8.05 4.77 0.00 3.31 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 52 G 9.43 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 53 T 7.18 4.32 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 1.32 0.00 0.00 54 S 8.35 4.63 0.00 4.05 4.11 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 0.00 0.00 0.00 0.00 55 H 8.30 4.26 0.00 3.29 3.38 0.00 5.75 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 56 V 7.30 5.31 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 0.23 0.00 0.00 0.79 0.00 0.00 *58 A 8.19 4.59 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 59 E 9.03 3.90 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 2.39 2.43 0.00 60 E 8.17 4.43 0.00 2.09 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 2.38 2.51 0.00 61 E 8.06 4.04 0.00 2.14 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 2.36 2.40 0.00 62 L 7.85 4.14 0.00 1.59 1.53 0.12 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 63 E 7.70 3.92 0.00 2.11 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 2.30 2.30 0.00 64 E 8.11 4.15 0.00 2.13 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 2.26 2.40 0.00 65 L 7.63 4.24 0.00 1.84 1.71 0.87 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 66 L 8.24 3.98 0.00 1.75 1.69 0.84 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 67 E 7.88 3.97 0.00 1.97 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 2.34 2.49 0.00 68 E 8.01 4.16 0.00 2.17 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 2.36 2.36 0.00 69 K 8.06 3.86 0.00 1.85 1.83 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.50 7.81 70 P 0.00 4.47 0.00 2.34 2.05 0.00 3.75 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.00 0.00 71 E 8.99 4.15 0.00 2.04 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 0.00 2.31 2.25 0.00 72 S 7.87 4.71 0.00 3.88 3.60 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 73 I 8.45 5.02 1.86 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 1.34 0.66 0.90 0.00 0.00 74 I 8.91 4.87 2.03 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.91 1.00 0.00 0.00 75 I 8.93 4.74 1.93 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 1.24 1.14 0.96 0.00 0.00 76 G 9.04 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 0.00 0.00 0.00 0.00 77 S 9.17 4.52 0.00 3.87 4.09 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 78 G 8.55 4.30 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 0.00 0.00 0.00 79 V 7.77 4.31 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 0.76 0.00 0.00 0.92 0.00 0.00 80 H 8.02 4.10 0.00 3.47 3.38 0.00 5.78 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 G 7.07 3.71 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 0.00 0.00 0.00 82 A 8.10 4.50 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 83 L 8.19 4.48 0.00 1.64 1.59 0.72 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 84 E 8.72 4.56 0.00 1.72 1.80 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 2.19 2.12 0.00 85 T 8.21 4.26 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 1.07 0.00 0.00 86 G 7.61 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 0.00 0.00 0.00 87 F 6.30 4.62 0.00 3.16 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 88 R 8.76 4.73 0.00 1.80 1.79 0.00 3.27 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.17 0.00 89 S 8.45 4.27 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 90 D 8.29 4.30 0.00 2.66 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 91 A 7.99 4.48 1.29 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 0.00 0.00 92 T 8.48 4.29 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 1.23 0.00 0.00 93 V 8.28 4.69 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 0.78 0.00 0.00 0.98 0.00 0.00 94 L 8.86 4.80 0.00 1.57 1.47 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 95 P 0.00 4.49 0.00 2.27 1.97 0.00 3.90 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 2.24 2.07 0.00 96 T 8.66 3.74 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 1.05 0.00 0.00 97 C 8.03 4.40 0.00 2.90 3.11 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 0.00 0.00 0.00 0.00 98 E 8.54 4.12 0.00 2.13 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 2.30 0.00 99 A 7.73 4.01 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 0.00 100 I 7.65 3.47 1.39 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 1.61 0.71 0.10 0.00 0.00 101 K 7.93 4.06 0.00 2.04 1.93 0.00 1.70 0.00 0.00 1.77 0.00 0.00 2.90 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.57 1.66 7.81 102 R 8.15 3.90 0.00 1.96 2.16 0.00 3.16 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 103 Y 8.58 4.00 0.00 3.32 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 0.00 104 N 8.79 4.61 0.00 3.09 3.00 0.00 0.00 6.74 7.26 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 0.00 105 E 8.51 3.91 0.00 2.25 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 0.00 2.32 2.37 0.00 106 E 8.51 3.96 0.00 1.90 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 2.31 2.50 0.00 107 R 8.24 3.76 0.00 1.46 1.97 0.00 3.03 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.68 0.00 108 S 8.34 4.13 0.00 4.04 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 0.00 109 A 7.55 4.32 1.32 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 0.00 0.00 0.00 110 G 7.97 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 0.00 0.00 0.00 111 R 7.53 4.18 0.00 1.75 1.94 0.00 3.26 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 112 R 9.13 4.43 0.00 1.76 1.89 0.00 3.08 0.00 0.00 3.22 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 113 V 8.06 5.01 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 0.21 0.00 0.00 1.04 0.00 0.00 114 A 8.88 5.16 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 0.00 115 A 9.01 5.11 1.32 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 0.00 0.00 0.00 116 I 8.61 4.74 1.87 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 1.17 0.79 0.89 0.00 0.00 117 I 8.81 4.54 1.76 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.35 0.75 0.00 0.00 118 H 8.94 5.22 0.00 3.13 3.34 0.00 5.59 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 V 9.34 3.78 1.91 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 0.58 0.00 0.00 0.85 0.00 0.00 120 T 6.89 3.91 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 0.66 0.00 0.00 121 C 8.82 4.53 0.00 3.26 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 * Residues marked with a * may have inaccurate shift predictions.