NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 N 4.6706 8.4244 118.1245 53.0769 40.0210 172.8900 9 L 4.4336 8.1366 122.0057 51.9414 43.9302 175.3312 10 T 4.3856 8.8883 117.2107 61.1865 72.5111 175.5258 11 T 3.8453 8.3955 118.4922 66.8744 68.5090 176.7081 12 A 4.0444 7.9569 122.1593 55.1878 18.4543 179.3102 13 D 4.2841 8.0764 117.2223 57.3279 40.9227 178.7411 14 A 3.9582 8.0642 121.2603 55.2378 18.3299 179.8986 15 K 3.8909 8.1112 116.9523 59.2404 31.8605 179.4531 16 K 3.9196 7.8942 119.0555 59.5964 32.2982 178.5221 17 I 3.9018 7.8270 119.8725 64.6404 37.2342 178.5767 18 L 4.1574 8.0335 119.5518 57.6509 41.4957 179.0092 19 N 4.7362 8.7546 116.2869 55.3128 38.2880 177.2656 20 K 3.9602 7.7862 119.7310 58.6861 32.3274 177.9809 21 F 4.6000 8.2224 115.9861 55.8765 39.2446 175.0248 22 N 4.3770 7.4858 117.7483 55.6469 38.9540 173.8103 23 C 4.0093 8.8655 120.7097 60.5427 26.1235 172.5948 24 L 4.3616 8.0170 121.0991 54.4023 41.8373 177.6659 25 D 4.2889 8.8579 124.2694 56.4178 42.2202 176.3383 26 I 5.0053 7.5752 118.0586 58.9944 39.7838 175.7759 27 A 4.5725 8.9436 130.2548 51.1522 18.8901 175.6551 28 P 4.4299 0.0000 0.0000 62.2068 32.3904 175.7396 29 I 4.0500 8.1627 119.8290 60.3945 38.2994 174.9921 30 L 4.8671 8.1788 127.5004 52.8028 43.9426 177.1808 31 K 4.2367 9.0521 121.6328 55.4945 34.1252 176.6534 32 P 4.2444 0.0000 0.0000 66.1915 31.3661 179.2199 33 S 4.2057 8.0060 112.1238 61.2544 63.0994 176.1727 34 E 3.9997 8.1252 121.9487 59.1243 29.1792 179.1575 35 K 3.8949 8.1953 118.6791 59.2951 32.1058 178.9652 36 E 3.8441 7.9327 119.1560 59.3019 29.5752 178.9467 37 S 4.0939 7.9050 114.9629 61.8001 62.8988 177.0284 38 V 3.5855 7.7269 120.7424 65.7257 31.1122 178.1874 39 R 3.6024 8.0889 118.2634 59.2984 29.9738 179.0957 40 R 3.8904 7.9649 117.3577 59.3148 30.1022 178.9958 41 A 3.9520 8.0191 120.4014 55.0740 18.3618 179.4989 42 L 3.8251 7.9750 118.9177 58.2912 41.9564 179.2754 43 I 3.7475 7.9091 119.2221 64.0653 37.4024 177.9504 44 L 4.0681 7.9649 121.1278 58.3964 41.9650 179.1064 45 I 3.7364 7.8123 119.9572 64.5787 37.1212 178.5970 46 T 3.9938 8.0396 110.5864 64.5645 68.3544 176.6080 47 K 4.1693 7.8612 119.9224 58.2395 32.3260 177.5092 48 L 4.5394 7.5073 118.8059 54.3374 41.6885 176.0218 49 S 5.3208 7.4597 111.8134 55.1994 66.0070 173.8888 50 D 4.8041 8.5742 122.1234 57.6718 41.2937 175.8377 51 Y 5.0488 7.0979 114.0481 56.4893 41.4718 173.3547 52 Q 5.2026 9.3550 117.7071 54.2128 33.3205 174.7017 53 I 4.8879 8.7236 122.4090 59.5835 40.4976 174.5095 54 L 5.0939 8.9795 127.1047 52.8725 44.6349 175.6876 55 G 4.2246 8.8904 109.7378 44.3897 0.0000 171.5620 56 I 4.8560 8.0872 126.7093 59.5756 40.3885 174.2634 57 C 5.0584 8.9723 125.2387 57.8341 30.4702 173.0689 58 A 4.9339 8.8011 124.2976 50.3820 21.9224 176.9150 59 D 4.4381 8.9588 119.5201 56.9449 41.5570 176.6826 60 T 4.8192 7.5104 107.6806 58.8685 73.1512 174.3544 61 A 4.0141 8.5944 123.6871 55.5852 18.4130 179.8931 62 D 4.3292 8.0344 116.8347 57.5523 40.9937 178.7119 63 E 4.1009 8.2297 118.9395 59.2605 29.2366 179.6316 64 G 3.5719 7.8730 104.7803 47.8870 0.0000 175.5133 65 L 4.1258 8.1052 120.9238 57.2110 41.8885 179.0392 66 L 4.1657 8.1754 120.3081 57.8405 41.9124 179.3356 67 A 4.3700 7.9442 117.5121 52.8266 18.1439 179.0475 *69 K 4.2265 8.0231 122.0168 58.5458 34.8440 178.3001 70 T 3.9006 8.2221 110.4702 64.6046 68.7790 176.3028 71 Y 3.6033 8.6501 120.5275 60.6565 37.9240 178.7941 72 S 4.2646 8.2002 114.6115 61.7428 62.9931 175.8175 73 H 4.0083 8.2246 121.3975 59.0525 29.4669 177.1671 74 A 3.7556 7.3583 120.9910 54.6420 18.0700 178.6891 75 L 4.1937 7.6972 114.9760 54.5779 41.9722 177.5858 76 G 3.6520 7.7016 107.1145 46.0600 0.0000 172.6885 77 Y 4.7823 8.2276 117.3498 55.5649 39.5267 175.7854 78 E 4.2202 8.7524 125.1526 56.2564 30.4914 175.7322 79 V 4.6059 7.8591 115.9490 58.8969 36.0955 173.9789 80 P 4.4512 0.0000 0.0000 62.6415 33.2535 175.2111 *82 D 4.3639 8.4477 116.9328 53.5699 40.7879 170.9482 83 L 4.5652 8.2634 124.7364 51.8635 42.9897 175.3235 84 P 4.3833 0.0000 0.0000 62.8241 31.8743 176.3402 85 V 4.3393 8.0005 114.1169 60.0205 33.7808 175.0479 86 V 4.5949 7.7590 112.9253 59.7109 35.4333 175.2854 87 E 4.2722 8.5815 120.3786 56.7764 30.4905 178.1612 88 G 3.8531 8.4971 109.4584 43.8870 0.0000 171.2173 89 P 4.8101 0.0000 0.0000 62.4121 32.6164 176.2902 90 V 5.1592 9.0724 115.5786 59.7744 36.2142 173.8467 91 Y 5.0532 8.9548 123.2623 55.9009 41.6876 174.1844 92 I 4.6626 8.0307 127.3686 59.1222 40.5402 174.3059 93 K 4.5289 7.7011 127.4087 54.2530 35.0184 174.6616 94 L 4.4714 8.3699 128.0099 53.4342 45.3089 174.6820 95 N 4.9329 9.3259 127.6210 52.0108 39.3434 175.7018 96 G 3.2519 8.8814 117.5999 49.2293 0.0000 175.2180 97 K 3.7313 8.1199 121.8201 56.9659 31.7674 182.8122 98 N 4.7651 8.0257 113.6233 51.5789 37.5529 175.5370 99 G 3.8047 8.1563 106.2538 45.6375 0.0000 173.9384 100 L 4.1229 8.4258 123.0517 55.9218 43.1311 175.8603 101 C 5.1734 8.4935 122.3917 58.7681 32.3616 172.6899 102 Y 4.8909 8.1598 120.0371 56.0134 41.5166 172.9930 103 L 5.2002 8.6965 122.0318 53.5555 44.6310 175.1401 104 D 5.2582 9.3829 125.7898 52.0373 44.8153 175.4594 105 S 4.6549 8.7955 115.7837 58.9000 63.1968 172.6333 106 Y 4.8950 8.7691 127.8289 56.0029 40.2929 174.9124 107 A 4.1961 8.4987 128.6219 51.8222 19.7176 176.9447 108 G 3.3748 5.3800 105.4839 44.8634 0.0000 173.9570 109 H 4.9365 8.3337 116.2076 55.6381 30.3432 173.4645 110 H 4.9457 8.7287 117.2449 55.5519 29.6582 175.1057 111 R 4.7420 8.9388 119.5889 55.8631 34.4165 174.0219 112 G 3.9124 8.5070 107.2005 43.8231 0.0000 171.6438 113 V 4.6269 8.6970 118.7911 60.9943 34.2287 175.4417 114 L 4.9586 8.8663 128.3713 53.3215 43.6791 175.6389 115 V 4.5375 8.5968 124.3843 61.3067 33.1477 174.9328 116 S 4.6115 9.1674 125.2623 57.4151 63.6771 172.4612 117 C 4.9534 9.1776 126.5793 58.4581 29.8446 173.0699 118 Q 4.8987 8.5252 122.6787 54.0227 32.2879 174.8132 119 S 4.9368 8.8966 117.6652 57.0810 66.7958 174.9963 120 Y 4.1710 9.3475 120.8916 59.6658 38.2346 175.5371 121 Y 4.7045 7.7592 117.5470 55.3241 40.8890 174.6002 122 E 4.1567 8.8446 124.8888 58.1067 30.2728 175.0869 123 G 4.2119 9.1103 112.8122 45.7155 0.0000 174.4182 124 G 3.9171 7.9222 105.6146 45.6316 0.0000 173.9489 125 I 4.0014 8.1849 122.8213 61.3480 37.6606 176.6957 126 N 5.0713 8.5694 123.2985 51.2481 38.8077 174.0356 127 E 4.0861 8.6805 124.7818 55.2984 34.9322 173.4399 *129 Y 4.5427 8.5710 119.0424 59.8205 39.9475 174.2525 130 G 4.1510 8.8873 107.1506 43.8138 0.0000 172.5275 131 H 4.7096 8.8515 117.6178 55.6412 29.1503 176.0208 132 L 4.3941 8.8923 123.5070 52.4543 44.1844 174.3466 133 P 4.6503 0.0000 0.0000 62.6265 31.8603 177.9852 134 L 4.0737 8.8888 123.5319 57.3053 42.0268 177.7663 135 D 4.9436 7.9698 116.4846 52.8287 39.7346 177.6723 136 L 3.7492 7.7671 124.1462 58.1742 41.9006 177.9849 137 F 4.7791 7.8387 114.7514 57.1099 39.5051 175.6227 138 V 3.9990 7.6584 126.5680 63.0299 31.3179 175.1725 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 8 N 8.42 4.67 0.00 2.72 2.81 0.00 0.00 6.77 6.97 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 9 L 8.14 4.43 0.00 1.64 1.53 0.91 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 10 T 8.89 4.39 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 11 T 8.40 3.85 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 12 A 7.96 4.04 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 13 D 8.08 4.28 0.00 2.91 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 14 A 8.06 3.96 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 15 K 8.11 3.89 0.00 2.00 1.94 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.66 7.81 16 K 7.89 3.92 0.00 1.84 2.04 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.50 7.81 17 I 7.83 3.90 2.04 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.62 0.99 0.00 0.00 18 L 8.03 4.16 0.00 1.37 1.34 0.21 0.32 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 19 N 8.75 4.74 0.00 3.00 2.94 0.00 0.00 6.90 6.62 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 20 K 7.79 3.96 0.00 1.56 1.55 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.77 7.81 21 F 8.22 4.60 0.00 3.36 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 22 N 7.49 4.38 0.00 2.85 2.86 0.00 0.00 7.14 7.16 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 23 C 8.87 4.01 0.00 3.18 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 24 L 8.02 4.36 0.00 1.98 1.70 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 25 D 8.86 4.29 0.00 2.62 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 26 I 7.58 5.01 1.91 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 1.33 0.65 0.95 0.00 0.00 27 A 8.94 4.57 1.37 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 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.43 0.00 2.24 2.09 0.00 4.11 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.94 0.00 29 I 8.16 4.05 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 1.43 0.72 0.93 0.00 0.00 30 L 8.18 4.87 0.00 1.68 1.58 1.05 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 31 K 9.05 4.24 0.00 1.76 1.73 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.64 7.81 32 P 0.00 4.24 0.00 2.14 2.11 0.00 3.59 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 33 S 8.01 4.21 0.00 4.04 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 34 E 8.13 4.00 0.00 2.24 2.07 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 2.40 2.40 0.00 35 K 8.20 3.89 0.00 1.93 1.72 0.00 1.58 0.00 0.00 1.48 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.56 7.81 36 E 7.93 3.84 0.00 2.08 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 0.00 2.29 2.37 0.00 37 S 7.91 4.09 0.00 4.11 3.90 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 0.00 0.00 0.00 38 V 7.73 3.59 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 0.81 0.00 0.00 1.15 0.00 0.00 39 R 8.09 3.60 0.00 1.93 1.90 0.00 3.12 0.00 0.00 2.83 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 1.51 0.00 40 R 7.96 3.89 0.00 2.00 1.96 0.00 3.22 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 41 A 8.02 3.95 1.30 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 42 L 7.97 3.83 0.00 1.78 1.89 0.96 1.21 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 43 I 7.91 3.75 1.89 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.91 0.90 0.00 0.00 44 L 7.96 4.07 0.00 1.82 1.78 0.93 0.77 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 45 I 7.81 3.74 1.73 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 1.64 1.14 0.90 0.00 0.00 46 T 8.04 3.99 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 1.33 0.00 0.00 47 K 7.86 4.17 0.00 1.93 1.90 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.66 7.81 48 L 7.51 4.54 0.00 1.84 1.68 0.93 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 49 S 7.46 5.32 0.00 4.03 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 50 D 8.57 4.80 0.00 2.80 3.15 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 51 Y 7.10 5.05 0.00 3.23 3.21 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 52 Q 9.36 5.20 0.00 2.34 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 53 I 8.72 4.89 1.90 0.00 0.00 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 1.31 0.97 0.94 0.00 0.00 54 L 8.98 5.09 0.00 1.35 1.34 0.88 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 55 G 8.89 4.22 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 56 I 8.09 4.86 1.54 0.00 0.00 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 0.88 0.43 0.74 0.00 0.00 57 C 8.97 5.06 0.00 2.74 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 58 A 8.80 4.93 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 59 D 8.96 4.44 0.00 2.76 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 60 T 7.51 4.82 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 1.23 0.00 0.00 61 A 8.59 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 62 D 8.03 4.33 0.00 2.71 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 63 E 8.23 4.10 0.00 2.21 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 2.34 0.00 64 G 7.87 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 65 L 8.11 4.13 0.00 1.63 1.74 0.95 0.83 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 66 L 8.18 4.17 0.00 1.84 1.91 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 67 A 7.94 4.37 1.43 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 0.00 0.00 *69 K 8.02 4.23 0.00 2.08 2.13 0.00 1.62 0.00 0.00 1.87 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.01 7.81 70 T 8.22 3.90 4.51 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 1.31 0.00 0.00 71 Y 8.65 3.60 0.00 3.14 3.10 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 0.00 0.00 0.00 0.00 72 S 8.20 4.26 0.00 4.25 4.17 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 0.00 0.00 0.00 0.00 73 H 8.22 4.01 0.00 3.29 3.40 0.00 5.59 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 7.36 3.76 0.23 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 75 L 7.70 4.19 0.00 1.80 1.69 0.87 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 76 G 7.70 3.65 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 0.00 0.00 0.00 77 Y 8.23 4.78 0.00 3.11 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.75 4.22 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 2.29 1.90 0.00 79 V 7.86 4.61 2.07 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 0.83 0.00 0.00 0.95 0.00 0.00 80 P 0.00 4.45 0.00 2.23 2.08 0.00 3.77 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 1.94 1.93 0.00 *82 D 8.45 4.36 0.00 2.75 2.57 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 83 L 8.26 4.57 0.00 1.62 1.63 0.88 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 84 P 0.00 4.38 0.00 2.06 2.00 0.00 3.68 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 2.05 2.12 0.00 85 V 8.00 4.34 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 0.74 0.00 0.00 0.94 0.00 0.00 86 V 7.76 4.59 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 0.78 0.00 0.00 1.01 0.00 0.00 87 E 8.58 4.27 0.00 1.97 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 2.30 2.31 0.00 88 G 8.50 3.85 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 0.00 0.00 0.00 89 P 0.00 4.81 0.00 2.41 2.20 0.00 3.84 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.01 0.00 90 V 9.07 5.16 2.20 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 0.85 0.00 0.00 0.92 0.00 0.00 91 Y 8.95 5.05 0.00 2.75 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 92 I 8.03 4.66 1.56 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 0.99 0.43 0.72 0.00 0.00 93 K 7.70 4.53 0.00 1.34 0.74 0.00 1.42 0.00 0.00 1.64 0.00 0.00 3.14 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.05 1.09 7.81 94 L 8.37 4.47 0.00 1.52 1.27 0.79 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 95 N 9.33 4.93 0.00 2.69 2.88 0.00 0.00 6.72 8.43 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 96 G 8.88 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 0.00 0.00 0.00 97 K 8.12 3.73 0.00 1.79 1.73 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 0.99 7.81 98 N 8.03 4.77 0.00 2.75 2.83 0.00 0.00 7.12 7.03 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 99 G 8.16 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 0.00 0.00 0.00 100 L 8.43 4.12 0.00 1.82 1.70 1.11 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 101 C 8.49 5.17 0.00 2.81 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 0.00 102 Y 8.16 4.89 0.00 3.04 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 0.00 103 L 8.70 5.20 0.00 1.63 1.60 0.96 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 104 D 9.38 5.26 0.00 2.86 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 0.00 105 S 8.80 4.65 0.00 3.93 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 0.00 106 Y 8.77 4.90 0.00 3.05 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 0.00 107 A 8.50 4.20 1.11 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 0.00 0.00 108 G 5.38 3.37 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 0.00 0.00 0.00 0.00 0.00 0.00 109 H 8.33 4.94 0.00 3.10 3.29 0.00 5.89 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 H 8.73 4.95 0.00 3.21 3.08 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 R 8.94 4.74 0.00 1.82 1.79 0.00 3.32 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 112 G 8.51 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 0.00 113 V 8.70 4.63 1.76 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 0.43 0.00 0.00 0.39 0.00 0.00 114 L 8.87 4.96 0.00 1.55 1.51 0.91 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 115 V 8.60 4.54 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 0.86 0.00 0.00 1.05 0.00 0.00 116 S 9.17 4.61 0.00 3.88 3.84 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 0.00 117 C 9.18 4.95 0.00 3.04 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 0.00 118 Q 8.53 4.90 0.00 0.93 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.76 0.00 0.00 0.00 0.00 0.00 1.90 2.14 0.00 119 S 8.90 4.94 0.00 3.70 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 0.00 120 Y 9.35 4.17 0.00 2.89 2.62 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 0.00 121 Y 7.76 4.70 0.00 3.04 2.90 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 0.00 0.00 0.00 122 E 8.84 4.16 0.00 1.97 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 2.32 2.30 0.00 123 G 9.11 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 0.00 124 G 7.92 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 0.00 125 I 8.18 4.00 1.90 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 1.37 1.06 1.05 0.00 0.00 126 N 8.57 5.07 0.00 2.49 2.63 0.00 0.00 6.84 7.66 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 0.00 127 E 8.68 4.09 0.00 1.63 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 2.16 2.45 0.00 *129 Y 8.57 4.54 0.00 2.95 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 0.00 130 G 8.89 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 0.00 131 H 8.85 4.71 0.00 3.14 3.38 0.00 5.84 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 L 8.89 4.39 0.00 1.59 1.37 0.91 0.02 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 0.00 133 P 0.00 4.65 0.00 2.10 2.07 0.00 3.50 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.34 0.00 134 L 8.89 4.07 0.00 1.68 1.78 0.99 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 135 D 7.97 4.94 0.00 2.83 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 0.00 136 L 7.77 3.75 0.00 1.56 1.36 0.61 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 137 F 7.84 4.78 0.00 2.89 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 0.00 138 V 7.66 4.00 2.21 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 0.77 0.00 0.00 0.99 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.