NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6856 8.3649 120.3164 52.9169 40.6992 174.6799 2 I 3.8218 8.0809 121.2466 59.8085 37.4660 170.6745 3 V 3.9881 9.1292 127.6634 62.4128 33.7990 174.0796 4 L 5.2118 8.5644 127.1936 53.3248 44.4970 175.1953 5 T 4.7301 9.2404 120.4630 61.9361 71.1408 173.0895 6 Q 5.2747 8.8251 125.2387 54.4183 31.2761 175.0893 7 S 4.8220 8.7801 116.5764 56.0920 66.2725 172.0178 8 P 4.8850 0.0000 0.0000 61.5992 32.7582 175.8428 9 A 4.3610 8.4623 120.1128 54.8856 19.2051 177.5418 10 S 5.1614 7.7541 107.0394 57.2219 66.2513 173.8327 11 L 4.8389 9.2938 122.8260 53.3646 45.5205 174.6313 12 A 5.2104 8.7279 127.1602 50.3246 21.1730 175.7346 13 V 4.5608 8.7958 115.2069 59.3246 36.5400 175.3282 14 S 4.6229 8.4377 117.7822 57.7486 64.3045 174.0955 15 L 4.0689 8.4836 122.7659 56.9281 41.7211 178.0289 16 G 3.8976 9.1430 112.3786 45.2860 0.0000 173.3821 17 Q 4.3607 7.7779 119.0285 54.9727 31.0182 174.4656 18 R 4.7368 8.3097 120.2658 55.5311 31.2533 175.1712 19 A 4.9088 8.9674 128.2083 50.2706 21.9096 175.1209 20 T 5.0831 8.2771 110.8128 60.2869 72.2449 172.8716 21 M 4.8944 8.8689 119.6810 54.1768 35.5263 173.2028 22 S 5.4446 9.2301 114.9241 56.8291 65.5862 171.9357 23 C 5.4520 9.7241 126.2323 54.9184 42.5370 172.3373 24 R 5.4200 9.1590 126.4707 54.5409 31.2507 173.9138 25 A 5.1839 9.2822 128.1146 50.4419 21.1096 177.7479 26 G 3.5902 8.9199 108.2424 47.7707 0.0000 173.5121 27 E 4.8926 7.6275 117.2049 54.1082 33.7354 175.2306 27A S 4.5256 8.5680 115.1705 58.9415 63.1220 174.2595 27B V 4.4196 8.5358 118.3545 61.1527 32.1961 175.4601 27C D 5.0258 7.7906 119.7121 54.0994 41.4546 176.2163 27D I 3.9890 8.6216 122.8649 60.1848 39.5626 176.1298 28 F 4.2607 9.7222 127.0466 58.6336 36.2737 176.6134 29 G 4.0679 8.3745 107.5344 45.1872 0.0000 173.1273 30 V 4.3046 7.8183 120.5065 60.9302 32.9400 174.9823 31 G 4.2206 8.8243 116.6421 45.7892 0.0000 173.7393 32 F 4.9110 9.0727 128.3923 56.3386 37.3832 174.8477 33 L 4.6436 7.2636 120.8656 53.3500 45.3368 175.4507 34 H 5.3767 8.8399 123.1228 53.6965 32.8724 172.7773 35 W 5.4344 9.0648 120.1683 55.2581 32.2550 174.3681 36 Y 5.2678 9.7591 121.6063 56.2655 41.4387 174.1953 37 Q 4.3831 9.4791 124.2207 54.3890 31.4432 173.9342 38 Q 4.7578 9.0568 128.4925 54.1526 31.1611 174.9323 39 K 4.5192 8.4581 126.1466 55.0880 33.9222 175.1669 40 P 4.4389 0.0000 0.0000 64.0442 31.5747 177.0704 41 G 3.9104 8.9850 110.3066 45.9085 0.0000 172.6569 42 Q 4.6940 7.7779 117.4786 52.6288 31.9120 173.3699 43 P 4.5707 0.0000 0.0000 61.7898 32.4060 174.3063 44 P 4.6463 0.0000 0.0000 62.8777 32.2921 175.8231 45 K 4.6827 9.0842 123.4714 54.2905 35.2910 174.9716 46 L 4.0009 8.8353 129.8739 55.6332 42.2818 175.7956 47 L 4.3612 9.0454 126.7589 56.3456 43.4339 176.6852 48 I 5.1245 7.4984 118.4317 59.6820 41.5869 173.8717 49 Y 4.9584 8.4534 124.4629 55.9117 40.8131 175.3548 50 R 4.1654 9.9883 117.0594 56.3475 27.4660 176.2429 51 A 4.4674 9.1239 126.6536 52.7055 18.7124 180.2169 52 S 4.7221 7.6326 103.6049 57.9060 65.0624 172.9449 53 N 4.5416 7.8170 120.4560 51.9511 39.4455 174.5316 54 L 4.4919 8.2678 124.6282 54.2751 42.7319 176.8286 55 E 4.3280 9.0483 124.8286 55.7675 31.0133 176.1520 56 S 4.2955 8.6949 120.2098 60.1981 62.7666 174.3950 57 G 4.0291 9.0457 115.5177 45.2670 0.0000 173.3428 58 I 4.0310 7.2876 121.3707 59.5373 37.9686 174.2978 59 P 4.5526 0.0000 0.0000 62.6833 31.8860 177.4001 60 V 3.9841 8.2159 111.5176 62.7765 31.8023 177.5971 61 R 4.1485 7.9705 119.5166 58.1348 30.8754 176.1215 62 F 4.9997 8.1454 118.6908 56.4988 40.2302 175.3726 63 S 4.6865 8.9393 116.6232 57.3581 66.8072 173.0284 64 G 4.6200 8.6724 106.4138 43.9507 0.0000 171.6148 65 T 4.8659 9.4873 112.0926 59.6739 72.9155 172.1486 66 G 4.1583 8.3528 107.3638 44.0218 0.0000 172.8117 67 S 4.5823 7.7622 113.4794 57.3062 66.8364 177.1389 68 R 3.7871 9.8722 120.7058 57.1179 29.9040 177.2487 69 T 4.8593 8.4298 115.3234 61.5018 72.1507 174.5815 70 D 5.2123 7.4694 121.8127 52.7217 43.0579 175.2485 71 F 5.2734 9.6573 122.3727 56.0271 43.3659 174.6956 72 T 5.2368 9.1231 116.3770 62.0814 73.0370 172.5987 73 L 4.3783 8.2713 127.7509 53.0307 44.3501 174.9621 74 I 4.7404 8.5562 126.5837 59.4218 40.8925 174.5130 75 I 4.3902 8.5081 126.9015 59.4927 40.2569 174.4975 76 D 4.7147 8.5922 127.8056 52.6464 43.7570 173.1183 77 P 4.6772 0.0000 0.0000 62.0667 32.9529 176.1666 78 V 3.8276 8.6573 122.5981 63.1590 32.6722 174.7877 79 E 5.0607 9.5314 126.1998 54.0722 32.9819 177.0097 80 A 4.0230 8.6859 123.5441 55.4369 18.6037 179.7140 81 D 4.5761 8.0832 114.2669 56.9147 40.9785 176.7297 82 D 4.8308 8.0073 117.6480 54.2422 41.1247 176.6629 83 V 3.7231 7.4846 119.1481 63.4979 31.8456 174.8279 84 A 4.3807 7.8849 127.1108 52.2589 23.5506 174.4700 85 T 4.8067 7.9927 116.1661 62.5080 70.5455 173.8877 86 Y 5.0177 9.0577 124.6130 56.7575 40.2478 174.3026 87 Y 5.4756 9.4951 121.9582 56.4000 41.6267 172.5123 88 C 4.8857 9.0350 117.3769 54.1424 42.1507 172.1495 89 Q 4.9024 8.5331 120.7421 54.4308 32.7895 173.3987 90 Q 4.9089 8.5132 123.5856 54.2753 31.3742 175.6491 91 T 4.0281 8.1295 110.9270 61.4930 69.1878 174.5640 92 N 4.3809 8.5989 123.1113 56.9048 39.1747 174.6511 93 E 4.8146 8.2921 113.0192 54.6622 32.6805 174.5068 94 D 4.5107 8.4802 120.8708 53.5580 41.6149 174.5730 95 P 4.4005 0.0000 0.0000 62.0429 32.4650 175.6207 96 Y 4.7362 8.0863 118.7713 59.0262 38.4841 175.6711 97 T 4.8073 8.2328 111.5156 59.9602 72.7908 172.6034 98 F 5.3480 8.6908 120.0826 55.4474 42.4258 175.4849 99 G 4.0609 9.1226 111.7265 44.9432 0.0000 174.2911 100 G 3.7451 8.5571 107.6896 46.4763 0.0000 174.8161 101 G 3.5176 8.7741 106.9572 45.8444 0.0000 173.0802 102 T 4.8013 8.5029 118.2523 61.3370 71.5709 173.1201 103 K 4.6960 9.1277 129.6820 55.5225 33.1350 174.9673 104 L 5.1374 9.2886 130.7652 53.8131 43.8725 175.0104 105 E 4.8175 9.2459 125.0280 54.5582 33.8719 174.2845 106 I 4.6810 8.3783 124.5533 59.8386 39.9753 176.2573 *107 K 4.1338 8.6304 129.6430 54.9032 32.2916 173.4188 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 D 8.36 4.69 0.00 2.81 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 2 I 8.08 3.82 1.86 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 1.30 0.83 0.91 0.00 0.00 3 V 9.13 3.99 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 1.00 0.00 0.00 0.95 0.00 0.00 4 L 8.56 5.21 0.00 1.69 1.51 0.81 0.63 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 5 T 9.24 4.73 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 1.26 0.00 0.00 6 Q 8.83 5.27 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.72 0.00 0.00 0.00 0.00 0.00 2.51 2.40 0.00 7 S 8.78 4.82 0.00 3.92 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 8 P 0.00 4.89 0.00 2.38 2.06 0.00 3.85 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 1.99 1.96 0.00 9 A 8.46 4.36 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 10 S 7.75 5.16 0.00 3.90 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 11 L 9.29 4.84 0.00 1.69 1.48 0.90 0.94 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 12 A 8.73 5.21 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 13 V 8.80 4.56 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 0.67 0.00 0.00 0.90 0.00 0.00 14 S 8.44 4.62 0.00 3.91 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 15 L 8.48 4.07 0.00 1.62 1.63 0.92 1.03 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 16 G 9.14 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 0.00 0.00 0.00 17 Q 7.78 4.36 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.84 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 18 R 8.31 4.74 0.00 1.88 1.75 0.00 3.27 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.53 0.00 19 A 8.97 4.91 1.04 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 0.00 0.00 20 T 8.28 5.08 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 1.11 0.00 0.00 21 M 8.87 4.89 0.00 1.99 2.20 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.17 0.00 22 S 9.23 5.44 0.00 3.96 3.98 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 23 C 9.72 5.45 0.00 2.89 2.94 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 24 R 9.16 5.42 0.00 1.98 1.79 0.00 3.23 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.84 0.00 25 A 9.28 5.18 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 26 G 8.92 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 27 E 7.63 4.89 0.00 1.91 1.81 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 2.24 2.24 0.00 27A S 8.57 4.53 0.00 3.85 3.78 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 0.00 0.00 0.00 27B V 8.54 4.42 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 0.74 0.00 0.00 1.05 0.00 0.00 27C D 7.79 5.03 0.00 2.69 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 27D I 8.62 3.99 0.89 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 -0.36 0.27 0.00 0.00 28 F 9.72 4.26 0.00 3.12 2.94 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 29 G 8.37 4.07 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 0.00 0.00 0.00 30 V 7.82 4.30 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 1.15 0.00 0.00 1.08 0.00 0.00 31 G 8.82 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 32 F 9.07 4.91 0.00 3.02 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 33 L 7.26 4.64 0.00 0.86 0.80 0.15 0.37 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 34 H 8.84 5.38 0.00 2.91 3.07 0.00 5.61 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 W 9.06 5.43 0.00 3.18 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 36 Y 9.76 5.27 0.00 3.14 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 37 Q 9.48 4.38 0.00 2.10 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.74 0.00 0.00 0.00 0.00 0.00 2.09 1.80 0.00 38 Q 9.06 4.76 0.00 2.22 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.71 0.00 0.00 0.00 0.00 0.00 2.26 2.41 0.00 39 K 8.46 4.52 0.00 1.88 1.71 0.00 1.89 0.00 0.00 1.84 0.00 0.00 3.13 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.70 1.45 7.81 40 P 0.00 4.44 0.00 2.04 2.00 0.00 3.77 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 41 G 8.99 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 42 Q 7.78 4.69 0.00 2.14 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.89 0.00 0.00 0.00 0.00 0.00 2.27 2.42 0.00 43 P 0.00 4.57 0.00 2.05 2.03 0.00 3.77 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 1.98 1.99 0.00 44 P 0.00 4.65 0.00 1.83 1.96 0.00 3.53 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.90 0.00 45 K 9.08 4.68 0.00 1.80 1.76 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.75 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.36 7.81 46 L 8.84 4.00 0.00 1.74 1.58 0.57 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 47 L 9.05 4.36 0.00 1.73 1.48 1.16 0.04 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 48 I 7.50 5.12 2.02 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 1.36 0.73 1.06 0.00 0.00 49 Y 8.45 4.96 0.00 2.90 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 50 R 9.99 4.17 0.00 1.97 2.00 0.00 3.36 0.00 0.00 3.75 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.45 0.00 51 A 9.12 4.47 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 0.00 0.00 0.00 0.00 0.00 0.00 52 S 7.63 4.72 0.00 3.91 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.82 4.54 0.00 1.44 1.90 0.00 0.00 7.00 6.77 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 54 L 8.27 4.49 0.00 1.50 1.58 1.08 1.03 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 55 E 9.05 4.33 0.00 2.20 1.83 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 2.32 2.33 0.00 56 S 8.69 4.30 0.00 3.89 3.79 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 57 G 9.05 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 58 I 7.29 4.03 1.90 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.95 0.61 0.00 0.00 59 P 0.00 4.55 0.00 2.33 2.26 0.00 3.69 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.18 0.00 60 V 8.22 3.98 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 0.74 0.00 0.00 0.94 0.00 0.00 61 R 7.97 4.15 0.00 1.47 1.90 0.00 3.24 0.00 0.00 3.30 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 62 F 8.15 5.00 0.00 2.97 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 63 S 8.94 4.69 0.00 3.81 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 64 G 8.67 4.62 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 0.00 65 T 9.49 4.87 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 1.21 0.00 0.00 66 G 8.35 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 0.00 0.00 0.00 0.00 67 S 7.76 4.58 0.00 4.15 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 68 R 9.87 3.79 0.00 1.91 1.77 0.00 3.04 0.00 0.00 3.22 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.57 0.00 69 T 8.43 4.86 4.45 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 1.30 0.00 0.00 70 D 7.47 5.21 0.00 2.37 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 71 F 9.66 5.27 0.00 3.23 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 72 T 9.12 5.24 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 1.24 0.00 0.00 73 L 8.27 4.38 0.00 0.27 0.24 0.53 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 74 I 8.56 4.74 1.73 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 1.13 0.29 0.78 0.00 0.00 75 I 8.51 4.39 1.49 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.25 0.20 0.00 0.00 76 D 8.59 4.71 0.00 2.49 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 77 P 0.00 4.68 0.00 2.05 1.97 0.00 3.74 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.91 0.00 78 V 8.66 3.83 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 0.94 0.00 0.00 0.84 0.00 0.00 79 E 9.53 5.06 0.00 1.86 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 2.33 2.37 0.00 80 A 8.69 4.02 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 81 D 8.08 4.58 0.00 2.77 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 82 D 8.01 4.83 0.00 2.85 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 83 V 7.48 3.72 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 0.82 0.00 0.00 1.04 0.00 0.00 84 A 7.88 4.38 0.92 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 85 T 7.99 4.81 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 0.72 0.00 0.00 86 Y 9.06 5.02 0.00 3.07 3.19 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 87 Y 9.50 5.48 0.00 3.08 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.03 4.89 0.00 2.17 1.46 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 89 Q 8.53 4.90 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.80 0.00 0.00 0.00 0.00 0.00 1.76 1.16 0.00 90 Q 8.51 4.91 0.00 2.15 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.60 0.00 0.00 0.00 0.00 0.00 2.16 2.19 0.00 91 T 8.13 4.03 3.73 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 0.41 0.00 0.00 92 N 8.60 4.38 0.00 2.85 3.03 0.00 0.00 6.95 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 93 E 8.29 4.81 0.00 2.08 1.84 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 2.22 2.30 0.00 94 D 8.48 4.51 0.00 2.62 2.51 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 95 P 0.00 4.40 0.00 2.15 1.99 0.00 3.77 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 96 Y 8.09 4.74 0.00 2.72 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 97 T 8.23 4.81 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 1.29 0.00 0.00 98 F 8.69 5.35 0.00 2.79 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 99 G 9.12 4.06 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 0.00 0.00 0.00 100 G 8.56 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 0.00 101 G 8.77 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.50 4.80 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 1.28 0.00 0.00 103 K 9.13 4.70 0.00 1.82 1.70 0.00 1.63 0.00 0.00 1.59 0.00 0.00 3.14 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.40 7.81 104 L 9.29 5.14 0.00 1.92 1.95 0.96 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 105 E 9.25 4.82 0.00 1.91 1.79 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 2.23 2.24 0.00 106 I 8.38 4.68 1.88 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 1.21 0.71 0.93 0.00 0.00 *107 K 8.63 4.13 0.00 1.56 1.61 0.00 1.65 0.00 0.00 1.73 0.00 0.00 3.14 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.60 7.81 * Residues marked with a * may have inaccurate shift predictions.