NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 E 4.3996 8.4449 121.7426 55.7587 30.5960 175.2576 5 D 4.5749 8.6529 127.4767 54.5211 42.1434 174.8342 6 F 5.7991 8.4901 121.3326 58.0763 43.1363 172.3767 7 Y 4.7159 6.7837 121.9847 56.8368 42.2008 172.4478 8 L 4.8299 7.2523 127.0645 53.6826 46.2676 174.3741 9 R 5.0637 8.9064 125.5244 54.9820 34.1619 172.8481 10 Y 5.1781 8.6569 126.2640 55.9588 42.3262 173.2838 11 Y 4.9099 8.1087 126.5958 55.7208 42.9047 174.1973 12 V 4.4426 7.1471 124.3281 59.7236 35.2398 174.9788 13 G 3.8620 8.1530 109.8120 46.0850 0.0000 171.0744 *20 H 4.8406 8.6336 120.1881 56.8744 29.7038 173.1662 21 E 4.4883 8.2712 121.4241 54.4434 31.2326 174.3678 22 F 4.7958 7.4650 115.8065 55.4079 40.3944 172.1854 23 L 4.9587 8.4686 122.9427 53.3228 45.2812 174.7067 24 E 5.3285 9.5892 126.4247 54.9219 33.6887 173.6146 25 F 5.6499 8.5879 120.2837 55.6750 41.9868 172.8360 26 E 5.2229 9.4228 120.8226 54.8246 33.6429 173.7378 27 F 5.2030 9.5251 127.6141 56.5016 41.6588 176.3707 28 R 4.8223 8.9397 122.8394 54.4525 30.5345 172.1049 29 P 4.5857 0.0000 0.0000 66.7512 31.3339 177.4577 30 D 4.6207 8.2107 114.5883 53.6668 39.6544 176.9838 31 G 4.0191 8.6493 109.2465 45.0814 0.0000 173.0167 32 K 3.6056 7.9950 122.6956 55.8449 33.3696 175.1949 33 L 4.6705 9.1292 132.9602 53.9059 44.1605 175.5279 34 R 5.1415 8.7080 127.1352 55.2360 32.3269 170.8734 35 Y 5.3715 9.1551 124.5800 55.1132 42.6339 174.0973 36 A 4.8102 8.3746 126.7993 51.0147 22.5671 175.8397 37 N 4.9351 8.7971 119.7349 54.8213 44.7809 174.7263 *46 M 4.3294 7.9513 116.3872 55.0083 33.6402 178.7840 47 I 4.4719 8.1795 121.0642 61.2290 41.2580 175.4872 48 R 5.0932 8.6739 127.7023 55.0563 32.0711 171.5979 49 K 4.5169 9.2393 126.6013 54.2523 35.7499 176.0857 50 E 5.3258 8.4409 118.8255 55.3261 33.6990 175.2095 51 A 4.7932 8.7753 123.4238 50.5567 23.4570 174.9253 52 F 4.9531 9.0284 118.5549 56.0122 40.5726 176.0885 53 V 4.3118 8.5467 117.7777 60.0508 33.1736 175.9444 54 H 4.3770 8.7610 122.9711 55.8073 30.6063 176.2596 55 Q 4.0325 8.1783 122.1919 59.3095 28.1604 178.9819 56 S 4.0931 8.2745 115.9363 61.2505 63.0036 176.5641 57 V 3.5606 7.8518 121.9559 66.0560 31.3145 177.9729 58 M 3.7741 7.8799 118.0317 58.1301 31.8138 178.1662 59 E 3.7902 8.3263 119.7999 59.2375 29.8259 178.5590 60 E 3.8770 8.1360 119.3950 58.8936 29.6558 178.4497 61 L 3.8256 8.0019 123.0144 58.6997 42.0480 179.7647 62 K 4.0091 7.7724 123.5380 59.7236 31.4818 180.7487 63 R 4.0573 7.9404 119.9433 59.3699 29.9925 178.7385 64 I 3.6778 7.8236 119.5542 64.3545 36.8577 178.5087 65 I 3.7132 7.6326 119.4386 64.5309 37.4191 178.2613 66 I 3.8878 8.0851 120.9631 64.4887 36.7139 178.0689 67 D 4.4030 8.2801 118.3807 57.1546 41.0964 178.1041 68 S 4.2587 7.9395 113.8109 59.1095 63.2586 174.7536 69 E 3.8564 8.0607 120.1533 56.9164 27.8549 175.8730 70 I 3.9205 7.7540 121.7307 64.3738 38.0626 177.7768 71 M 4.2822 8.1491 118.1809 57.4371 31.9076 176.6541 72 Q 4.4779 8.2575 116.7899 55.6695 29.2140 175.3576 73 E 4.5796 8.0351 118.1749 55.1620 31.0788 174.9737 74 D 4.4661 7.7826 118.9302 52.5519 44.0047 174.7652 75 D 3.3700 7.3605 124.0957 52.2336 39.9426 177.5870 76 L 3.6873 7.4260 123.0674 58.1489 41.8651 176.7866 77 P 4.3959 0.0000 0.0000 64.0205 31.6201 176.6897 78 W 4.7250 7.2011 118.3630 55.3928 30.1437 174.6761 79 P 4.4682 0.0000 0.0000 62.5411 31.7688 174.5682 80 P 4.7932 0.0000 0.0000 61.2477 32.8550 174.2172 81 P 4.2942 0.0000 0.0000 64.2723 31.7159 177.0018 82 D 4.8863 8.3711 125.8509 52.9577 40.7815 173.1169 83 R 4.3450 8.5627 114.0952 60.7313 30.0767 175.5528 84 V 3.7656 7.7835 113.1662 61.8946 32.1913 179.6184 85 G 4.3141 6.0039 105.1077 45.0951 0.0000 171.0932 86 R 5.2739 8.7131 115.8360 54.9469 33.5139 174.0844 87 Q 5.1678 9.6001 117.7571 54.3123 33.2902 174.4479 88 E 5.2795 9.4342 121.5645 54.6289 34.0032 174.4784 89 L 5.2438 9.4190 125.6936 53.6013 45.4685 174.6560 90 E 5.2484 9.2191 126.4640 54.6661 32.4585 175.4555 91 I 5.0050 8.6404 124.2822 59.6328 42.1368 174.2933 92 V 4.7463 8.8047 125.9813 61.2337 34.8441 174.3452 93 I 4.8530 8.6923 128.2313 59.2447 40.4606 176.3827 94 G 3.9712 9.4594 123.6195 47.6215 0.0000 175.5962 95 D 4.6514 9.0180 126.4349 53.8397 40.5320 176.8941 96 E 4.4913 7.8640 114.2631 56.6848 30.6457 180.5950 97 H 5.4533 8.0453 114.9457 54.7650 31.2942 172.7304 98 I 4.5749 8.7822 112.7563 59.6950 41.4450 174.5197 99 S 4.8408 8.4261 118.1277 57.5133 63.9868 172.5698 100 F 5.6317 9.4058 126.6194 56.2560 41.6846 175.3278 101 T 5.2726 8.9731 118.3845 62.5073 72.2025 173.3743 102 T 5.4905 9.3033 115.9823 60.3682 72.9043 172.8281 103 S 4.9616 8.4884 116.7414 57.0578 65.0741 173.9390 104 K 4.2619 8.5344 118.9039 56.8657 32.4563 178.0810 105 T 4.6928 8.1299 117.4033 61.9591 69.1247 174.4337 106 G 3.8162 8.1152 111.9097 48.0206 0.0000 171.0557 107 S 4.6398 7.6522 112.5200 56.3009 66.3415 175.2842 108 L 3.4217 8.0668 120.2287 57.4293 40.9132 180.0435 109 V 3.8017 7.5359 118.0476 64.7291 31.3173 177.6578 110 D 4.4334 7.4251 118.8052 56.7005 40.9405 178.6316 111 V 3.6089 7.2189 118.4463 65.8943 31.4786 177.2093 112 N 4.7797 8.4223 114.6511 54.7254 38.1059 176.1490 113 R 4.5134 7.5588 120.3397 56.4297 30.1323 180.9341 114 S 4.8966 7.7333 116.8820 57.2296 65.4666 178.4014 115 K 4.2509 8.6676 119.3998 58.3166 32.0226 175.5827 116 D 5.0749 7.7874 118.3927 51.0235 41.1537 173.8279 117 P 4.3620 0.0000 0.0000 65.7463 31.1930 178.5079 118 E 4.1337 8.2598 117.9946 59.0273 29.3885 179.4319 119 G 4.3748 8.2775 106.7327 47.4030 0.0000 175.5032 120 L 2.7246 7.9020 122.7468 57.2517 41.8285 179.2474 121 R 3.9588 8.0787 118.2732 59.1191 29.9835 178.6720 122 C 4.3369 7.8503 116.2852 62.6182 28.0287 175.8792 123 F 4.2315 7.9465 122.0259 61.4043 38.6845 176.4252 124 Y 3.8256 8.2808 119.5368 61.0824 38.4515 177.9240 125 Y 4.0626 8.2067 117.7694 60.6843 37.8755 177.9877 126 L 3.8748 8.0262 121.4080 58.1157 42.1394 179.1488 127 V 3.0978 7.4647 118.3239 65.7946 31.3106 177.7254 128 Q 3.6456 7.5113 119.1660 59.1658 28.8295 178.0509 129 D 4.2667 8.1628 120.0537 57.2535 40.7887 178.7573 130 L 3.8341 8.0371 119.8122 57.7214 41.6571 179.7443 131 K 3.2607 7.9538 118.6555 59.1865 31.9385 178.9040 132 C 4.0215 7.7786 118.9198 62.2933 31.4599 175.4758 133 L 3.8434 7.6383 121.8105 58.1238 41.6802 179.1013 134 V 3.4468 7.5297 118.2485 65.9959 31.2839 177.9258 135 F 4.5010 8.2883 117.8904 60.7864 38.6912 177.9283 136 S 4.1400 8.0985 114.5873 61.4288 62.6328 176.6846 137 L 3.9268 7.9788 121.5819 57.9629 41.3975 179.7445 138 I 3.9610 8.1444 120.1724 64.2502 37.0163 178.7322 139 G 3.6119 8.2715 106.8438 47.9999 0.0000 175.7653 140 L 4.0551 7.9415 121.8822 57.3796 41.4388 179.0870 141 H 4.0115 8.1076 117.9762 58.6575 29.8297 175.8377 142 F 4.5567 8.2444 114.6695 56.1732 39.4004 175.5942 143 K 3.8700 7.1821 118.6498 57.4545 30.0174 175.2158 144 I 4.0222 7.8933 122.8507 61.6239 37.0765 176.4335 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 4 E 8.44 4.40 0.00 2.03 2.02 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 2.27 2.41 0.00 5 D 8.65 4.57 0.00 2.92 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 6 F 8.49 5.80 0.00 3.05 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 6.78 4.72 0.00 2.99 2.59 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 8 L 7.25 4.83 0.00 1.39 1.50 0.98 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 9 R 8.91 5.06 0.00 1.66 1.70 0.00 3.13 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 10 Y 8.66 5.18 0.00 2.80 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 11 Y 8.11 4.91 0.00 2.90 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 12 V 7.15 4.44 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 0.73 0.00 0.00 0.94 0.00 0.00 13 G 8.15 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 *20 H 8.63 4.84 0.00 3.18 3.42 0.00 5.74 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.27 4.49 0.00 1.93 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 2.27 1.86 0.00 22 F 7.47 4.80 0.00 2.98 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 23 L 8.47 4.96 0.00 1.73 1.50 1.19 1.49 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 24 E 9.59 5.33 0.00 2.32 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.47 0.00 25 F 8.59 5.65 0.00 3.20 3.32 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 26 E 9.42 5.22 0.00 2.03 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 2.21 2.20 0.00 27 F 9.53 5.20 0.00 3.15 3.12 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 0.00 0.00 0.00 28 R 8.94 4.82 0.00 1.73 1.80 0.00 3.28 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.46 0.00 29 P 0.00 4.59 0.00 2.16 2.33 0.00 3.81 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.73 0.00 30 D 8.21 4.62 0.00 2.95 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 31 G 8.65 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 0.00 0.00 0.00 0.00 32 K 8.00 3.61 0.00 1.31 1.53 0.00 1.52 0.00 0.00 1.50 0.00 0.00 2.76 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.09 0.37 7.81 33 L 9.13 4.67 0.00 1.30 1.45 -0.18 0.75 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 34 R 8.71 5.14 0.00 1.51 1.76 0.00 3.26 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.41 0.00 35 Y 9.16 5.37 0.00 3.00 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 36 A 8.37 4.81 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 37 N 8.80 4.94 0.00 2.31 2.51 0.00 0.00 7.15 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 *46 M 7.95 4.33 0.00 1.87 1.88 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.15 0.00 47 I 8.18 4.47 1.86 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 1.04 1.08 0.99 0.00 0.00 48 R 8.67 5.09 0.00 1.54 1.68 0.00 3.21 0.00 0.00 3.22 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.18 0.00 49 K 9.24 4.52 0.00 1.53 0.94 0.00 0.61 0.00 0.00 1.07 0.00 0.00 2.65 0.00 0.00 2.51 0.00 0.00 0.00 0.00 1.13 0.88 7.81 50 E 8.44 5.33 0.00 1.68 1.64 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 2.12 1.87 0.00 51 A 8.78 4.79 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 52 F 9.03 4.95 0.00 2.90 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 53 V 8.55 4.31 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 0.70 0.00 0.00 1.19 0.00 0.00 54 H 8.76 4.38 0.00 3.16 3.17 0.00 5.68 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 Q 8.18 4.03 0.00 2.25 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.68 0.00 0.00 0.00 0.00 0.00 2.03 2.36 0.00 56 S 8.27 4.09 0.00 4.08 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 0.00 57 V 7.85 3.56 2.26 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 1.05 0.00 0.00 0.95 0.00 0.00 58 M 7.88 3.77 0.00 1.79 2.10 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.54 0.00 59 E 8.33 3.79 0.00 2.08 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 2.25 2.26 0.00 60 E 8.14 3.88 0.00 2.15 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 0.00 2.24 2.28 0.00 61 L 8.00 3.83 0.00 1.49 1.47 0.64 -0.30 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 62 K 7.77 4.01 0.00 1.82 1.81 0.00 1.87 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.32 7.81 63 R 7.94 4.06 0.00 1.93 2.08 0.00 3.04 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 64 I 7.82 3.68 1.97 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.52 0.87 0.00 0.00 65 I 7.63 3.71 2.09 0.00 0.00 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 1.56 0.64 0.97 0.00 0.00 66 I 8.09 3.89 1.89 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 1.45 1.34 0.93 0.00 0.00 67 D 8.28 4.40 0.00 2.68 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 68 S 7.94 4.26 0.00 4.15 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 69 E 8.06 3.86 0.00 2.34 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 0.00 2.27 2.45 0.00 70 I 7.75 3.92 2.04 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 1.01 0.00 0.00 71 M 8.15 4.28 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.55 0.00 72 Q 8.26 4.48 0.00 2.22 2.18 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 2.37 2.40 0.00 73 E 8.04 4.58 0.00 2.53 2.02 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 2.54 2.77 0.00 74 D 7.78 4.47 0.00 2.41 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 0.00 0.00 0.00 0.00 75 D 7.36 3.37 0.00 2.36 1.54 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.43 3.69 0.00 1.54 1.53 0.83 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 77 P 0.00 4.40 0.00 2.12 2.09 0.00 3.24 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.99 0.00 78 W 7.20 4.73 0.00 3.21 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 79 P 0.00 4.47 0.00 2.10 2.01 0.00 3.64 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 80 P 0.00 4.79 0.00 2.08 2.07 0.00 3.81 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 2.00 2.00 0.00 81 P 0.00 4.29 0.00 2.08 2.11 0.00 3.68 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 2.06 2.15 0.00 82 D 8.37 4.89 0.00 2.72 2.49 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 83 R 8.56 4.34 0.00 1.73 1.95 0.00 3.22 0.00 0.00 3.37 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.18 0.00 84 V 7.78 3.77 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 0.89 0.00 0.00 0.93 0.00 0.00 85 G 6.00 4.31 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 0.00 86 R 8.71 5.27 0.00 1.99 2.06 0.00 2.75 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.90 0.00 87 Q 9.60 5.17 0.00 2.19 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.57 0.00 88 E 9.43 5.28 0.00 1.89 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 2.26 2.35 0.00 89 L 9.42 5.24 0.00 2.28 1.98 1.13 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 90 E 9.22 5.25 0.00 2.07 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 2.26 2.31 0.00 91 I 8.64 5.00 1.78 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 1.04 0.76 0.79 0.00 0.00 92 V 8.80 4.75 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 1.12 0.00 0.00 0.94 0.00 0.00 93 I 8.69 4.85 1.94 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.13 1.03 0.00 0.00 94 G 9.46 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 95 D 9.02 4.65 0.00 2.70 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 96 E 7.86 4.49 0.00 1.88 1.85 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 2.23 2.11 0.00 97 H 8.05 5.45 0.00 3.14 3.26 0.00 5.64 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 I 8.78 4.57 0.83 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 0.91 0.47 0.82 0.00 0.00 99 S 8.43 4.84 0.00 3.88 3.83 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 0.00 100 F 9.41 5.63 0.00 3.12 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 0.00 101 T 8.97 5.27 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 1.30 0.00 0.00 102 T 9.30 5.49 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 1.16 0.00 0.00 103 S 8.49 4.96 0.00 3.93 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 0.00 104 K 8.53 4.26 0.00 1.71 1.85 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.50 1.42 7.81 105 T 8.13 4.69 4.48 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 1.21 0.00 0.00 106 G 8.12 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 0.00 107 S 7.65 4.64 0.00 3.86 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 0.00 108 L 8.07 3.42 0.00 1.55 1.58 1.02 0.26 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 0.00 109 V 7.54 3.80 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 0.74 0.00 0.00 0.90 0.00 0.00 110 D 7.43 4.43 0.00 2.67 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 0.00 111 V 7.22 3.61 1.92 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 0.93 0.00 0.00 0.47 0.00 0.00 112 N 8.42 4.78 0.00 2.62 2.80 0.00 0.00 6.82 7.64 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 0.00 113 R 7.56 4.51 0.00 1.78 1.75 0.00 3.22 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.40 0.00 114 S 7.73 4.90 0.00 3.59 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 0.00 115 K 8.67 4.25 0.00 1.77 1.76 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.36 1.00 7.81 116 D 7.79 5.07 0.00 2.81 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 0.00 117 P 0.00 4.36 0.00 2.29 2.28 0.00 3.86 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.07 0.00 118 E 8.26 4.13 0.00 2.07 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 0.00 2.44 2.36 0.00 119 G 8.28 4.37 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 0.00 120 L 7.90 2.72 0.00 1.08 1.35 0.05 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 121 R 8.08 3.96 0.00 2.12 2.13 0.00 3.42 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 122 C 7.85 4.34 0.00 3.36 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 0.00 123 F 7.95 4.23 0.00 2.80 2.81 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 0.00 124 Y 8.28 3.83 0.00 2.98 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 0.00 125 Y 8.21 4.06 0.00 3.25 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 0.00 126 L 8.03 3.87 0.00 1.80 1.78 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 127 V 7.46 3.10 1.66 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 0.29 0.00 0.00 -0.03 0.00 0.00 128 Q 7.51 3.65 0.00 1.78 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.24 2.18 0.00 129 D 8.16 4.27 0.00 2.84 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 0.00 130 L 8.04 3.83 0.00 1.72 1.78 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 131 K 7.95 3.26 0.00 1.53 0.91 0.00 1.55 0.00 0.00 1.42 0.00 0.00 3.00 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.35 1.36 7.81 132 C 7.78 4.02 0.00 3.07 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 0.00 133 L 7.64 3.84 0.00 1.71 1.66 0.87 0.77 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 0.00 134 V 7.53 3.45 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 0.82 0.00 0.00 0.19 0.00 0.00 135 F 8.29 4.50 0.00 3.04 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 0.00 136 S 8.10 4.14 0.00 4.05 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 0.00 137 L 7.98 3.93 0.00 1.82 1.69 1.05 0.75 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 0.00 138 I 8.14 3.96 1.55 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.19 0.52 0.00 0.00 139 G 8.27 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 L 7.94 4.06 0.00 1.80 1.70 0.91 1.04 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 0.00 141 H 8.11 4.01 0.00 3.03 3.07 0.00 5.92 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 F 8.24 4.56 0.00 3.20 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 0.00 143 K 7.18 3.87 0.00 2.02 1.85 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.36 7.81 144 I 7.89 4.02 1.85 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 1.19 0.60 0.89 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.