NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.0796 8.1749 110.9187 62.5575 70.1674 172.8012 3 E 2.9807 8.3602 119.6610 56.9533 25.4352 173.0428 4 Y 4.2576 8.1290 118.8954 59.0185 40.0519 177.8830 5 K 4.6885 8.2929 120.7345 52.2140 34.5217 176.2313 6 L 3.9894 8.0147 117.5349 56.3848 39.2755 175.6758 7 V 3.8516 7.7476 119.3862 63.5504 33.2188 175.6381 8 V 4.7258 9.3956 129.5568 61.8504 32.9103 174.9755 9 V 4.5694 8.0487 121.7957 58.4409 35.3207 175.2786 10 G 4.4114 8.5713 109.7562 45.8669 0.0000 172.8206 11 A 4.3316 8.6582 123.0185 51.7269 18.9426 177.4830 12 G 3.7498 8.7173 109.8001 47.7262 0.0000 173.7199 13 G 3.9549 9.0156 111.3099 46.1159 0.0000 174.8000 14 V 3.8071 7.4512 115.0604 62.6010 31.8891 176.7760 15 G 4.2924 8.4032 109.6914 45.9630 0.0000 176.3643 16 K 4.0163 8.6004 121.7559 59.2596 32.1290 179.1174 17 S 4.4932 8.3160 116.0657 61.0443 62.8696 176.4004 18 A 4.0176 7.9874 122.9827 55.0535 18.2295 179.5092 19 L 3.9863 8.3114 117.7047 58.3059 41.8043 179.7953 20 T 3.8037 7.9602 115.4557 66.9314 68.4709 176.8040 21 I 3.5054 7.7471 121.5121 64.1693 37.0175 178.2365 22 Q 3.9706 7.8545 120.0766 59.0752 28.6326 178.1248 23 L 3.7820 7.4866 119.9687 58.2989 42.2066 178.7670 24 I 3.6903 7.7291 118.9177 63.9845 36.8492 177.8481 25 Q 4.3387 8.5260 116.9560 54.7644 28.9953 175.8063 26 N 5.0610 8.3336 115.4923 52.8797 36.4019 173.4702 27 H 4.8959 7.4831 111.1886 53.7715 31.7154 172.5934 28 F 4.7297 8.8344 124.0566 57.4598 40.7459 174.3645 29 V 3.5318 8.2949 121.5318 61.5195 31.9991 177.2525 *38 D 4.4931 8.9272 123.8382 54.7315 43.1519 175.4830 39 S 5.0667 8.1774 114.9566 56.8535 66.2438 172.7225 40 Y 4.8893 8.8648 117.4537 56.4428 42.3203 174.4755 41 R 5.1931 8.5626 120.5232 54.4806 33.7882 175.1911 42 K 4.4130 9.1268 123.9290 55.1127 36.2064 174.4580 43 Q 4.5393 8.8160 129.6665 56.5424 29.5813 175.4114 44 V 4.5433 9.2592 119.2413 59.4687 36.4468 174.6140 45 V 4.7643 8.2160 121.6190 61.3628 33.2230 174.9417 46 I 4.1450 8.2708 129.2307 60.2883 38.9458 175.4471 47 D 4.5097 10.0470 125.8027 55.3131 38.4034 173.9476 48 G 4.0826 8.5231 107.8088 45.4545 0.0000 174.6353 49 E 4.1061 7.8301 121.0529 56.1534 30.9390 176.2140 50 T 4.8413 8.4491 124.0387 62.8801 69.1718 173.4905 51 C 4.9003 9.3241 123.8769 56.9547 34.0678 173.2008 52 L 4.9482 8.2963 121.2238 53.1924 42.5284 174.9867 53 L 4.3858 8.9485 125.3014 52.5866 43.1101 175.1473 54 D 5.2369 8.3928 123.8183 52.8213 43.0654 174.9063 55 I 4.9038 9.3250 129.1268 59.5845 39.7253 174.8539 56 L 4.6739 8.8847 130.8495 53.8206 42.9961 175.0952 57 D 5.0592 8.7217 128.7905 53.7682 41.6364 175.4759 58 T 4.5204 8.5784 116.6557 60.8595 70.6944 175.1810 59 A 4.6881 8.4139 124.0639 52.4256 20.2068 176.4445 *76 E 4.4323 8.2879 117.3422 56.2161 31.9290 176.6907 77 G 4.1854 7.5103 105.4213 44.1935 0.0000 171.7262 78 F 5.5061 8.7581 121.1343 55.4073 42.6000 174.1978 79 L 4.3776 9.1889 124.9758 53.8662 42.8781 175.7920 80 C 4.9524 9.0239 123.9998 58.3680 29.2722 173.0663 81 V 4.8893 8.3147 124.8158 60.9668 33.5961 174.5843 82 F 5.2209 8.7907 121.3262 55.0907 42.0762 173.1099 83 A 5.1621 9.0813 120.9114 49.9530 21.3049 177.6782 84 I 4.3076 8.6801 114.3007 61.8591 37.8297 176.6895 85 N 4.8857 8.1067 116.9756 52.6061 37.4664 174.2826 86 N 4.9192 8.3368 118.4892 51.3946 39.6696 174.5987 87 T 4.0582 8.4154 121.5745 66.1110 68.7262 175.7202 88 K 4.1579 8.2184 121.3862 59.5457 32.0963 178.7908 89 S 4.3798 8.1458 112.8603 60.8371 63.2740 175.8307 90 F 4.1823 7.8856 123.5420 61.0108 39.0552 177.1421 91 E 3.8597 8.3082 117.7153 58.7955 29.2964 178.7644 92 D 4.1854 8.1858 119.0825 56.5797 40.8134 178.2301 93 I 3.8944 7.4223 120.9683 65.0163 37.1011 177.5254 94 H 4.3394 7.6035 119.5701 58.8971 29.7622 177.4056 95 Q 3.8125 7.8326 119.3619 58.9253 28.5521 178.1928 96 Y 4.1639 7.6149 117.3861 60.9800 37.9529 178.4695 97 R 3.6618 7.9306 119.6067 59.4765 30.0371 178.5051 98 E 3.8571 7.9883 118.3313 59.2079 28.9691 178.8906 99 Q 3.9557 7.9219 118.9612 58.2515 29.2262 177.9848 100 I 3.4739 7.2459 120.6716 64.0358 36.8253 178.3052 101 K 4.2231 7.9557 120.5945 58.5705 31.6158 178.8488 102 R 4.1078 7.5292 117.3262 57.6591 30.2111 177.5438 103 V 4.2499 7.0256 109.6316 61.5609 31.8901 176.8380 104 K 4.4105 7.8425 116.0085 54.8824 32.5587 176.1026 105 D 4.6029 7.6982 116.7972 54.7475 40.1704 172.8362 106 S 4.6478 7.4565 108.5777 56.3042 65.5398 173.5745 107 D 4.7725 8.6361 124.0377 53.1227 39.4836 176.3882 108 D 4.6203 8.2449 119.8510 52.2397 41.5426 173.6275 109 V 4.3538 7.7819 122.5826 59.3301 34.6462 173.3874 110 P 4.2186 0.0000 0.0000 63.4745 32.0111 174.8670 111 M 5.2748 8.3589 122.6840 54.5235 35.4471 173.7011 112 V 4.5513 8.6592 125.0814 61.0044 35.3735 173.7061 113 L 5.0370 8.7598 129.8193 54.1606 43.7222 175.0719 114 V 4.5348 9.0588 127.0110 61.2103 34.1581 174.6832 115 G 3.4409 8.5990 116.6417 44.5902 0.0000 172.4581 116 N 4.9597 8.3149 126.2043 52.4334 41.1073 174.2674 117 K 3.9996 8.5484 118.3948 57.6978 28.6731 177.9885 118 C 4.3627 8.0718 114.1889 59.9457 29.7155 174.0703 119 D 4.4521 7.8537 119.2249 54.8131 39.6133 176.3479 120 L 4.4030 7.3266 119.7194 53.8388 42.6997 176.6357 121 A 4.2163 8.3866 122.9758 53.5284 19.5294 177.6789 122 A 4.2810 7.6218 119.7840 51.6298 18.1953 178.5612 123 R 4.4415 7.7929 122.5245 56.4809 30.3936 175.4937 124 T 4.2239 8.3817 116.2704 61.9749 70.0102 174.9127 125 V 3.9090 7.5585 121.9101 61.0414 32.2256 174.9729 126 E 4.2436 8.5205 127.4919 55.7923 30.4579 178.0095 127 S 4.1843 8.8867 118.9011 62.1049 62.8650 177.2335 128 R 4.0539 7.7797 121.8047 58.8397 29.8324 178.3036 129 Q 3.8028 7.7951 117.2707 58.9859 28.6822 178.5464 130 A 3.8686 7.4352 120.9804 55.4372 17.7390 179.5945 131 Q 3.7941 7.6140 116.2410 59.1080 28.6774 178.6288 132 D 4.3933 8.6082 120.0626 56.6704 40.8790 178.5812 133 L 3.5991 7.6840 121.0836 57.7588 42.1424 178.6502 134 A 4.1463 8.0112 120.7706 54.8426 18.2338 179.6275 135 R 3.8252 8.0816 117.7888 59.6746 30.1036 178.8250 136 S 4.2797 7.4754 111.7571 60.5096 62.9273 174.7082 137 Y 4.8465 7.6832 118.7032 57.2490 38.1026 176.4201 138 G 3.8579 8.1844 107.8045 46.2113 0.0000 173.1900 139 I 4.8123 7.8000 111.5031 57.7602 40.7971 173.5309 140 P 4.6225 0.0000 0.0000 63.0384 32.7668 174.4356 141 Y 5.4614 8.5441 122.1355 56.0525 41.6032 174.5811 142 I 4.2569 8.3148 126.7011 59.3330 40.7963 174.2885 143 E 4.5041 8.3217 127.0376 55.8078 30.3018 175.8563 144 T 4.8838 8.7723 113.9022 59.9469 73.1440 172.6127 145 S 4.6890 8.5474 115.7999 56.8281 64.5023 173.7161 146 A 4.2753 8.3663 129.0033 53.5652 19.2335 178.5774 147 K 2.0000 7.5343 116.7821 58.6322 32.5116 177.1946 148 T 4.1337 7.3439 111.2082 61.6645 70.0896 175.3091 149 R 4.4174 8.2111 120.2405 56.2554 29.6482 176.5015 150 Q 3.9735 7.6516 121.3643 58.6034 29.0907 177.0131 151 G 3.6618 8.8600 113.2122 46.5892 0.0000 174.8376 152 V 3.5312 7.6698 119.9785 65.8175 31.4509 177.8749 153 E 3.4061 7.9339 117.7208 59.5130 29.2181 178.7213 154 D 4.2402 8.0541 117.9083 57.5760 40.8052 179.0753 155 A 3.9005 7.7052 120.2959 55.2066 18.5419 179.8116 156 F 4.0558 8.0374 115.9230 61.0437 39.0920 177.7283 157 Y 4.3927 9.1984 117.2721 61.4343 37.3916 178.6717 158 T 4.0295 8.1421 116.2319 66.4017 68.3156 176.1735 159 L 4.2029 7.8703 122.1661 58.0433 42.1303 179.1880 160 V 3.8316 7.9233 118.1896 66.0078 31.3577 178.2422 161 R 4.1218 8.3194 117.5707 58.7232 29.6672 178.0983 162 E 4.2781 7.8278 115.5711 57.7492 29.6883 177.5469 163 F 4.2435 8.3365 117.4901 58.6926 39.6729 175.9745 164 R 4.3006 7.6454 123.9046 56.1922 30.0878 175.7575 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 2 T 8.17 4.08 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 1.15 0.00 0.00 3 E 8.36 2.98 0.00 2.28 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 1.96 1.65 0.00 4 Y 8.13 4.26 0.00 3.44 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 5 K 8.29 4.69 0.00 1.62 1.70 0.00 1.99 0.00 0.00 1.78 0.00 0.00 2.82 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.33 0.95 7.81 6 L 8.01 3.99 0.00 1.87 2.00 1.21 0.99 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 7 V 7.75 3.85 2.33 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 1.06 0.00 0.00 0.97 0.00 0.00 8 V 9.40 4.73 2.19 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 0.93 0.00 0.00 1.22 0.00 0.00 9 V 8.05 4.57 1.67 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 1.05 0.00 0.00 0.60 0.00 0.00 10 G 8.57 4.41 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 0.00 11 A 8.66 4.33 1.45 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 0.00 0.00 0.00 12 G 8.72 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 13 G 9.02 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 14 V 7.45 3.81 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 0.83 0.00 0.00 1.05 0.00 0.00 15 G 8.40 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 0.00 0.00 0.00 16 K 8.60 4.02 0.00 1.93 1.93 0.00 1.86 0.00 0.00 2.04 0.00 0.00 3.15 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.55 1.57 7.81 17 S 8.32 4.49 0.00 3.88 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 18 A 7.99 4.02 1.45 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 0.00 0.00 0.00 19 L 8.31 3.99 0.00 1.96 1.94 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.96 3.80 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 1.12 0.00 0.00 21 I 7.75 3.51 1.83 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.90 0.67 0.00 0.00 22 Q 7.85 3.97 0.00 2.34 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 23 L 7.49 3.78 0.00 1.29 1.42 0.77 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.73 3.69 1.43 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.35 0.75 0.00 0.00 25 Q 8.53 4.34 0.00 2.14 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.26 0.00 0.00 0.00 0.00 0.00 2.23 2.16 0.00 26 N 8.33 5.06 0.00 2.82 2.88 0.00 0.00 7.04 8.16 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 27 H 7.48 4.90 0.00 3.38 3.20 0.00 5.74 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 28 F 8.83 4.73 0.00 3.01 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 29 V 8.29 3.53 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 0.71 0.00 0.00 0.79 0.00 0.00 *38 D 8.93 4.49 0.00 2.61 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 39 S 8.18 5.07 0.00 3.79 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 40 Y 8.86 4.89 0.00 2.93 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 41 R 8.56 5.19 0.00 1.63 1.75 0.00 3.27 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.59 0.00 42 K 9.13 4.41 0.00 1.76 1.56 0.00 1.51 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.30 1.40 7.81 43 Q 8.82 4.54 0.00 2.06 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.58 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 44 V 9.26 4.54 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 0.61 0.00 0.00 0.80 0.00 0.00 45 V 8.22 4.76 2.04 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 0.81 0.00 0.00 0.89 0.00 0.00 46 I 8.27 4.15 1.65 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.09 0.74 0.77 0.00 0.00 47 D 10.05 4.51 0.00 2.77 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 48 G 8.52 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 49 E 7.83 4.11 0.00 1.98 1.77 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 2.24 2.25 0.00 50 T 8.45 4.84 4.20 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 1.18 0.00 0.00 51 C 9.32 4.90 0.00 2.85 3.16 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 52 L 8.30 4.95 0.00 1.45 1.48 0.92 0.73 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 L 8.95 4.39 0.00 1.69 1.59 0.82 0.76 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 54 D 8.39 5.24 0.00 2.67 2.39 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 55 I 9.32 4.90 1.98 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.56 1.19 0.00 0.00 56 L 8.88 4.67 0.00 1.86 1.66 0.97 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 57 D 8.72 5.06 0.00 2.99 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 58 T 8.58 4.52 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 1.33 0.00 0.00 59 A 8.41 4.69 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 *76 E 8.29 4.43 0.00 2.39 2.37 0.00 0.00 0.00 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 77 G 7.51 4.19 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 0.00 0.00 0.00 78 F 8.76 5.51 0.00 3.04 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 79 L 9.19 4.38 0.00 1.44 1.42 -0.16 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 80 C 9.02 4.95 0.00 2.95 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 81 V 8.31 4.89 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 0.97 0.00 0.00 0.93 0.00 0.00 82 F 8.79 5.22 0.00 3.26 3.39 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 83 A 9.08 5.16 1.31 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 84 I 8.68 4.31 1.96 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 1.37 0.65 1.01 0.00 0.00 85 N 8.11 4.89 0.00 2.93 2.94 0.00 0.00 5.81 8.04 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 86 N 8.34 4.92 0.00 2.77 2.93 0.00 0.00 7.23 6.76 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 87 T 8.42 4.06 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 1.27 0.00 0.00 88 K 8.22 4.16 0.00 1.90 2.02 0.00 1.62 0.00 0.00 1.89 0.00 0.00 3.09 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.77 7.81 89 S 8.15 4.38 0.00 4.26 4.13 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 0.00 0.00 0.00 0.00 90 F 7.89 4.18 0.00 2.79 3.13 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 0.00 0.00 0.00 0.00 91 E 8.31 3.86 0.00 2.06 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 2.66 0.00 92 D 8.19 4.19 0.00 3.01 2.58 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 0.00 0.00 0.00 93 I 7.42 3.89 1.67 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.66 1.07 0.00 0.00 94 H 7.60 4.34 0.00 3.29 3.25 0.00 5.83 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 7.83 3.81 0.00 1.76 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 96 Y 7.61 4.16 0.00 3.13 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 97 R 7.93 3.66 0.00 1.48 1.81 0.00 2.75 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 1.32 0.00 98 E 7.99 3.86 0.00 1.85 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 2.17 2.25 0.00 99 Q 7.92 3.96 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.82 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 100 I 7.25 3.47 1.76 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.84 0.65 0.00 0.00 101 K 7.96 4.22 0.00 1.82 1.79 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.74 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.63 1.20 7.81 102 R 7.53 4.11 0.00 1.90 1.88 0.00 3.17 0.00 0.00 3.18 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 103 V 7.03 4.25 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 0.87 0.00 0.00 0.93 0.00 0.00 104 K 7.84 4.41 0.00 1.88 1.84 0.00 1.92 0.00 0.00 1.63 0.00 0.00 3.10 0.00 0.00 3.41 0.00 0.00 0.00 0.00 1.42 1.72 7.81 105 D 7.70 4.60 0.00 2.78 2.70 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 0.00 106 S 7.46 4.65 0.00 3.83 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 0.00 107 D 8.64 4.77 0.00 2.79 2.72 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 0.00 108 D 8.24 4.62 0.00 2.58 2.55 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 0.00 109 V 7.78 4.35 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 1.12 0.00 0.00 0.96 0.00 0.00 110 P 0.00 4.22 0.00 1.37 1.41 0.00 3.51 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.60 0.00 111 M 8.36 5.27 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.62 0.00 112 V 8.66 4.55 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 0.97 0.00 0.00 1.01 0.00 0.00 113 L 8.76 5.04 0.00 2.13 2.02 1.35 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 114 V 9.06 4.53 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 0.79 0.00 0.00 0.82 0.00 0.00 115 G 8.60 3.44 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 0.00 116 N 8.31 4.96 0.00 2.73 2.76 0.00 0.00 7.13 6.57 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 0.00 117 K 8.55 4.00 0.00 2.03 1.95 0.00 1.75 0.00 0.00 1.90 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.41 1.41 7.81 118 C 8.07 4.36 0.00 3.04 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 0.00 119 D 7.85 4.45 0.00 2.74 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 0.00 120 L 7.33 4.40 0.00 1.74 1.63 0.94 1.24 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 0.00 121 A 8.39 4.22 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 0.00 122 A 7.62 4.28 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 0.00 123 R 7.79 4.44 0.00 1.80 1.88 0.00 3.22 0.00 0.00 3.40 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 124 T 8.38 4.22 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 0.00 125 V 7.56 3.91 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 0.03 0.00 0.00 0.93 0.00 0.00 126 E 8.52 4.24 0.00 1.98 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 0.00 2.39 2.37 0.00 127 S 8.89 4.18 0.00 3.88 4.13 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 0.00 0.00 0.00 0.00 128 R 7.78 4.05 0.00 1.84 1.86 0.00 3.19 0.00 0.00 3.27 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.54 0.00 129 Q 7.80 3.80 0.00 1.82 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.52 0.00 0.00 0.00 0.00 0.00 2.27 2.23 0.00 130 A 7.44 3.87 0.62 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 0.00 0.00 131 Q 7.61 3.79 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.59 2.42 0.00 132 D 8.61 4.39 0.00 2.69 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 0.00 133 L 7.68 3.60 0.00 1.82 1.70 0.42 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 134 A 8.01 4.15 1.56 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 0.00 0.00 135 R 8.08 3.83 0.00 1.96 1.98 0.00 3.07 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 136 S 7.48 4.28 0.00 3.98 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 0.00 137 Y 7.68 4.85 0.00 3.22 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 0.00 138 G 8.18 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 0.00 139 I 7.80 4.81 2.22 0.00 0.00 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 1.61 0.96 1.07 0.00 0.00 140 P 0.00 4.62 0.00 2.16 2.07 0.00 3.76 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.14 0.00 141 Y 8.54 5.46 0.00 2.94 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 0.00 142 I 8.31 4.26 1.70 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 1.14 0.58 0.76 0.00 0.00 143 E 8.32 4.50 0.00 1.70 1.77 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 2.34 1.88 0.00 144 T 8.77 4.88 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 1.11 0.00 0.00 145 S 8.55 4.69 0.00 3.76 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 0.00 146 A 8.37 4.28 1.48 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 0.00 0.00 0.00 147 K 7.53 2.00 0.00 0.79 1.52 0.00 1.66 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.07 0.81 7.81 148 T 7.34 4.13 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 1.09 0.00 0.00 149 R 8.21 4.42 0.00 1.76 1.92 0.00 3.26 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.18 0.00 150 Q 7.65 3.97 0.00 1.96 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.79 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 151 G 8.86 3.66 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 0.00 0.00 0.00 152 V 7.67 3.53 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 1.09 0.00 0.00 0.94 0.00 0.00 153 E 7.93 3.41 0.00 1.69 1.12 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 1.80 2.14 0.00 154 D 8.05 4.24 0.00 2.86 2.70 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 0.00 155 A 7.71 3.90 1.22 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 0.00 156 F 8.04 4.06 0.00 3.21 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 0.00 157 Y 9.20 4.39 0.00 3.05 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 0.00 158 T 8.14 4.03 4.47 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 1.26 0.00 0.00 159 L 7.87 4.20 0.00 1.78 1.97 1.05 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 160 V 7.92 3.83 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 0.90 0.00 0.00 0.92 0.00 0.00 161 R 8.32 4.12 0.00 2.13 2.03 0.00 3.26 0.00 0.00 3.23 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.91 0.00 162 E 7.83 4.28 0.00 2.19 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 2.59 2.53 0.00 163 F 8.34 4.24 0.00 3.26 3.13 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 0.00 0.00 0.00 0.00 164 R 7.65 4.30 0.00 1.78 1.85 0.00 3.23 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 * Residues marked with a * may have inaccurate shift predictions.