NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.5220 8.1749 117.3736 63.6804 70.0827 172.9133 2 T 4.5828 9.1782 121.9252 59.9978 71.9426 171.4191 3 I 5.1277 9.2819 120.9711 59.2481 41.1439 174.7386 4 V 4.6512 8.9311 116.9777 59.8025 36.5302 174.5380 5 G 4.5472 8.5555 108.3244 44.7024 0.0000 172.1735 6 V 4.6146 9.2033 124.2992 61.0135 34.8616 174.3949 7 K 4.8884 8.8577 127.4786 55.6063 33.4869 175.8751 8 F 5.1081 8.4120 118.4422 54.1990 41.0395 175.2829 9 N 4.3230 9.1727 117.4261 55.8153 36.5619 174.7476 10 N 4.9719 8.5334 115.7385 51.6060 40.4413 174.8139 11 G 3.4881 6.0124 103.8626 45.5418 0.0000 172.3210 12 V 5.0097 7.5644 119.5088 60.4920 34.4957 174.4467 13 V 4.8075 9.2782 122.0493 60.0104 34.7831 174.3524 14 I 5.2179 8.3426 114.6509 59.5207 40.7845 173.9247 15 A 4.8391 8.8623 123.8315 51.2383 23.0927 174.6191 16 A 5.6165 8.4301 119.0335 51.7420 22.4346 175.9273 17 D 4.7617 8.4976 119.7137 52.5504 41.9968 176.2670 18 T 4.8322 8.1767 106.0041 60.5026 70.3557 172.7748 19 R 4.7977 8.5527 123.0667 55.8292 31.2628 175.3052 20 S 4.9738 8.9040 121.5773 56.7090 64.7863 172.8026 21 T 5.1535 8.5065 115.6827 60.1546 72.5070 173.8364 22 Q 4.3882 8.9496 121.8035 54.5246 30.6597 176.5034 23 G 3.8218 8.2333 116.0734 46.3776 0.0000 170.9701 24 P 4.6104 0.0000 0.0000 62.5968 31.7808 175.5899 25 I 4.2976 7.5168 120.9137 59.7557 38.6778 175.0347 26 V 4.2416 8.2563 124.5843 62.2021 31.6075 175.4104 27 A 4.1881 8.6797 131.3615 54.0142 19.1680 176.8700 28 D 4.7826 7.7531 115.3566 52.4612 43.3234 175.9798 29 K 4.2645 8.7298 125.3767 57.8878 33.1172 177.0119 30 N 5.0454 8.5183 117.8710 52.3033 39.4883 173.3145 31 C 4.4526 8.2996 115.7458 57.1280 31.8271 173.1228 32 A 4.4800 8.3760 124.1548 51.2813 18.9674 177.5249 33 K 4.2460 8.5319 121.6790 56.5575 33.2865 175.8859 34 L 4.8591 7.8288 119.5309 54.4305 42.0710 175.8707 35 H 5.0556 9.6746 122.1807 53.9585 32.2772 173.3358 36 R 3.4903 7.9311 120.6577 54.9175 30.5410 175.9527 37 I 3.9333 8.4919 128.2209 63.1870 37.9869 175.7613 38 S 4.5695 7.2468 112.1607 55.8379 66.0836 172.6394 39 P 4.2576 0.0000 0.0000 65.4343 31.2121 177.7463 40 K 4.7347 8.1790 114.1820 55.9091 32.8846 174.9347 41 I 4.8448 7.8409 121.2337 59.6934 39.4577 174.7797 42 W 5.0256 9.3061 127.3395 55.1137 32.3528 174.8322 43 C 5.4732 9.7806 121.2963 58.0198 35.2709 172.5646 44 A 5.2093 8.2931 123.8485 49.4652 22.2511 175.4360 45 G 4.6495 8.8349 107.5574 44.4341 0.0000 171.3102 46 A 4.7597 9.2766 121.3106 50.5051 22.9422 175.5757 47 G 3.9719 8.7870 103.1625 44.4725 0.0000 174.9717 48 T 3.8809 8.3983 119.3136 63.6464 69.0638 174.2488 49 A 3.9923 8.7845 128.8989 55.5127 18.3130 178.8739 50 A 3.9749 8.0066 118.3104 55.3335 18.3601 179.5106 51 D 4.2583 8.0151 117.2585 57.6896 41.1683 178.8725 52 T 3.8717 7.9032 110.3732 64.6842 68.7199 176.2666 53 E 3.7628 8.1542 121.6875 58.9207 29.7353 178.6830 54 A 3.9567 8.1516 121.2258 55.1370 18.5470 180.0426 55 V 3.5674 8.0373 117.9085 65.0834 31.4101 178.8912 56 T 3.8651 7.7689 116.0994 66.6331 68.2828 176.8769 57 Q 3.9880 8.0663 119.9671 58.3748 28.6394 178.5006 58 L 3.8624 7.9598 121.5600 58.3863 42.2049 179.2006 59 I 3.7933 7.6294 119.3461 64.0155 36.9406 178.7978 60 G 3.5107 8.0376 106.9215 47.7319 0.0000 175.7359 61 S 4.0803 8.1824 115.9337 61.2797 62.4130 176.0983 62 N 4.4138 8.3439 119.1336 56.1006 38.1177 177.6256 63 I 3.7004 8.0527 121.9961 64.1367 37.1910 177.9335 64 E 3.9192 8.2561 120.1584 59.4063 29.5158 178.8923 65 L 4.0342 7.9044 118.9761 58.0316 41.6109 179.0612 66 H 4.1230 8.4720 118.3040 59.1636 29.8047 177.1898 67 S 4.2110 8.4599 115.3181 61.5532 62.0214 176.1879 68 L 4.0078 7.8286 120.2393 58.0248 41.4315 178.6311 69 Y 4.0873 8.0560 118.8025 60.1515 37.6539 177.0636 70 T 4.3425 8.3273 108.8199 60.7482 69.3099 175.1774 71 S 3.7685 8.0579 116.6439 59.7413 61.0371 171.8716 72 R 4.7747 7.2276 114.4913 53.9590 33.7537 175.4185 73 E 4.1801 8.5504 119.2837 55.5186 30.1378 175.6088 74 P 4.3996 0.0000 0.0000 62.8846 32.3462 175.9957 75 R 4.8338 8.1804 120.2978 54.3025 32.6453 177.5998 76 V 3.6324 8.8624 121.1752 66.2644 31.5190 179.0899 77 V 3.7013 7.7540 111.4152 63.9962 31.3092 178.5685 78 S 4.1108 7.9302 115.1490 61.3634 62.7232 176.3607 79 A 3.9589 7.8873 123.0524 54.8120 18.0702 179.3263 80 L 3.8612 8.0399 118.9398 58.4149 42.2431 179.0197 81 Q 3.9250 8.0745 119.4816 59.4674 29.0977 178.1324 82 M 4.0742 8.2340 119.8205 58.2174 31.8985 178.7628 83 L 4.0202 8.0880 119.4313 57.7178 41.8041 179.7601 84 K 4.0217 8.2912 118.9736 60.1958 32.4055 179.2601 85 Q 4.0407 8.2132 119.2595 58.5744 28.3373 178.1867 86 H 4.2931 8.0136 118.5382 59.3819 30.1866 177.0112 87 L 4.1685 8.2753 121.0925 57.7069 41.3685 179.2874 88 F 4.0053 8.5446 120.7954 61.1936 39.1294 176.9247 89 K 3.7574 7.7441 118.1441 59.4024 32.1013 177.1817 90 Y 4.2549 7.5411 115.1330 56.5263 37.9525 175.6253 91 Q 2.9672 7.8151 118.5545 56.8309 26.3948 175.8367 *93 G 3.9925 7.7802 104.3027 45.3871 0.0000 174.9409 94 H 4.3212 8.4593 117.1515 57.6587 28.8642 175.6395 95 I 4.1891 6.8790 117.3276 59.5970 36.9139 176.7557 96 G 4.1058 8.4829 117.7980 45.9583 0.0000 170.5568 97 A 5.1773 7.4485 119.8668 50.4488 21.6033 177.0484 98 Y 4.6427 8.6965 120.4707 56.2580 40.9626 175.1206 99 L 5.4105 8.6278 122.5112 53.1678 46.8031 175.6858 100 I 4.6576 8.8043 121.7355 59.5862 39.9257 174.9464 101 V 4.9792 8.5859 126.5097 59.8706 33.4809 174.8913 102 A 4.8146 9.3914 124.9192 49.9246 23.1120 174.9866 103 G 4.4601 7.7037 106.2480 46.7571 0.0000 172.3361 104 V 4.7146 8.1827 112.3752 59.6356 34.9930 176.1128 105 D 4.2572 8.4054 120.7199 53.9675 38.9037 175.0896 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 T 8.17 4.52 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 1.22 0.00 0.00 2 T 9.18 4.58 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 3 I 9.28 5.13 1.90 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 1.37 0.69 0.93 0.00 0.00 4 V 8.93 4.65 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 0.81 0.00 0.00 0.94 0.00 0.00 5 G 8.56 4.55 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 0.00 0.00 0.00 6 V 9.20 4.61 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 1.10 0.00 0.00 0.96 0.00 0.00 7 K 8.86 4.89 0.00 1.68 1.66 0.00 1.69 0.00 0.00 1.73 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.37 7.81 8 F 8.41 5.11 0.00 3.19 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 9 N 9.17 4.32 0.00 2.88 3.11 0.00 0.00 5.65 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 10 N 8.53 4.97 0.00 2.73 2.88 0.00 0.00 7.06 7.37 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 11 G 6.01 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.56 5.01 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 0.70 0.00 0.00 0.99 0.00 0.00 13 V 9.28 4.81 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 1.02 0.00 0.00 0.93 0.00 0.00 14 I 8.34 5.22 1.92 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.76 0.97 0.00 0.00 15 A 8.86 4.84 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 16 A 8.43 5.62 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 17 D 8.50 4.76 0.00 2.69 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 18 T 8.18 4.83 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 1.22 0.00 0.00 19 R 8.55 4.80 0.00 1.84 2.04 0.00 3.21 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 20 S 8.90 4.97 0.00 3.94 3.68 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 0.00 0.00 0.00 0.00 21 T 8.51 5.15 4.46 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 0.00 0.00 0.00 1.21 0.00 0.00 22 Q 8.95 4.39 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.71 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 23 G 8.23 3.82 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 0.00 0.00 0.00 24 P 0.00 4.61 0.00 2.19 2.15 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.97 0.00 25 I 7.52 4.30 1.99 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 1.18 0.61 0.91 0.00 0.00 26 V 8.26 4.24 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 0.83 0.00 0.00 0.93 0.00 0.00 27 A 8.68 4.19 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 28 D 7.75 4.78 0.00 2.67 2.50 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 29 K 8.73 4.26 0.00 1.79 1.84 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.44 1.42 7.81 30 N 8.52 5.05 0.00 2.62 2.69 0.00 0.00 7.12 8.08 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 31 C 8.30 4.45 0.00 3.19 3.18 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 0.00 32 A 8.38 4.48 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 33 K 8.53 4.25 0.00 1.82 1.83 0.00 1.79 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.45 7.81 34 L 7.83 4.86 0.00 1.63 1.93 0.96 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 35 H 9.67 5.06 0.00 2.98 3.07 0.00 5.60 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 R 7.93 3.49 0.00 0.67 1.27 0.00 3.05 0.00 0.00 2.85 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.58 0.00 37 I 8.49 3.93 1.91 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 0.91 0.86 0.00 0.00 38 S 7.25 4.57 0.00 3.91 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 39 P 0.00 4.26 0.00 2.11 2.26 0.00 3.63 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.16 0.00 40 K 8.18 4.73 0.00 1.86 1.87 0.00 1.65 0.00 0.00 1.87 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.51 7.81 41 I 7.84 4.84 1.84 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 1.23 0.56 0.99 0.00 0.00 42 W 9.31 5.03 0.00 3.29 3.20 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 43 C 9.78 5.47 0.00 2.92 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 44 A 8.29 5.21 1.25 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 45 G 8.83 4.65 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 46 A 9.28 4.76 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 47 G 8.79 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 48 T 8.40 3.88 4.40 0.00 0.00 0.00 0.00 0.00 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 49 A 8.78 3.99 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 50 A 8.01 3.97 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 51 D 8.02 4.26 0.00 2.95 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 52 T 7.90 3.87 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 1.37 0.00 0.00 53 E 8.15 3.76 0.00 2.09 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 2.25 2.30 0.00 54 A 8.15 3.96 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 55 V 8.04 3.57 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 0.83 0.00 0.00 0.96 0.00 0.00 56 T 7.77 3.87 4.44 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 1.14 0.00 0.00 57 Q 8.07 3.99 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.49 0.00 58 L 7.96 3.86 0.00 1.78 1.56 0.88 0.73 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 59 I 7.63 3.79 1.98 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.33 0.88 0.00 0.00 60 G 8.04 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 0.00 0.00 0.00 61 S 8.18 4.08 0.00 3.92 4.05 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 62 N 8.34 4.41 0.00 2.74 2.82 0.00 0.00 7.08 6.89 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 63 I 8.05 3.70 2.07 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.96 0.90 0.00 0.00 64 E 8.26 3.92 0.00 2.11 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 2.31 2.36 0.00 65 L 7.90 4.03 0.00 1.90 1.72 0.92 1.06 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 66 H 8.47 4.12 0.00 3.26 3.46 0.00 5.59 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.46 4.21 0.00 4.05 4.05 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 68 L 7.83 4.01 0.00 1.95 1.76 0.93 0.73 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 69 Y 8.06 4.09 0.00 3.08 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 70 T 8.33 4.34 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 71 S 8.06 3.77 0.00 4.04 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 72 R 7.23 4.77 0.00 1.73 1.80 0.00 3.19 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.77 0.00 73 E 8.55 4.18 0.00 1.97 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 2.33 2.29 0.00 74 P 0.00 4.40 0.00 2.05 1.99 0.00 3.66 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 75 R 8.18 4.83 0.00 1.85 1.81 0.00 3.14 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 76 V 8.86 3.63 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 1.05 0.00 0.00 1.05 0.00 0.00 77 V 7.75 3.70 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 0.85 0.00 0.00 0.92 0.00 0.00 78 S 7.93 4.11 0.00 4.05 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 79 A 7.89 3.96 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 80 L 8.04 3.86 0.00 1.89 1.83 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 8.07 3.93 0.00 2.36 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.59 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 82 M 8.23 4.07 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.54 0.00 83 L 8.09 4.02 0.00 1.90 1.72 0.94 0.88 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 84 K 8.29 4.02 0.00 1.99 2.08 0.00 1.27 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.62 1.56 7.81 85 Q 8.21 4.04 0.00 2.29 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.86 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 86 H 8.01 4.29 0.00 3.29 3.61 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 L 8.28 4.17 0.00 1.76 1.70 0.88 1.28 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 88 F 8.54 4.01 0.00 3.24 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 89 K 7.74 3.76 0.00 1.82 1.91 0.00 1.67 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.83 1.27 7.81 90 Y 7.54 4.25 0.00 2.93 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 91 Q 7.82 2.97 0.00 2.03 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.46 0.00 0.00 0.00 0.00 0.00 2.01 2.26 0.00 *93 G 7.78 3.99 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 0.00 0.00 0.00 94 H 8.46 4.32 0.00 3.31 3.39 0.00 5.65 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 I 6.88 4.19 1.79 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.25 0.88 0.00 0.00 96 G 8.48 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 0.00 0.00 0.00 97 A 7.45 5.18 1.18 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 0.00 0.00 0.00 98 Y 8.70 4.64 0.00 2.97 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 99 L 8.63 5.41 0.00 1.50 1.63 0.93 0.88 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 0.00 100 I 8.80 4.66 1.92 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 1.13 0.96 0.00 0.00 101 V 8.59 4.98 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 0.74 0.00 0.00 0.96 0.00 0.00 102 A 9.39 4.81 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 0.00 103 G 7.70 4.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 V 8.18 4.71 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 0.73 0.00 0.00 0.97 0.00 0.00 105 D 8.41 4.26 0.00 2.78 2.67 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 * Residues marked with a * may have inaccurate shift predictions.