NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1724 8.1727 122.0524 56.2968 34.0980 173.9798 2 V 4.5271 8.2237 127.2148 61.0207 32.1628 174.5621 3 F 4.5794 9.6788 128.1728 57.2132 40.3603 175.4810 4 G 3.8600 8.7309 108.2847 45.4638 0.0000 174.3991 5 R 3.4740 8.8776 119.9687 59.9433 29.9918 179.5372 6 C 4.3028 8.0676 115.3807 59.7655 40.4830 175.7519 7 E 3.8963 8.0667 120.5641 59.2550 29.3822 178.4894 8 L 3.2997 8.1506 120.5250 57.7363 41.7965 178.6091 9 A 3.8915 7.7309 119.5835 55.1681 18.7013 179.1945 10 A 4.0211 8.0076 118.9433 55.2844 18.2687 179.7726 11 A 3.9832 7.7660 118.0461 54.7584 18.5111 178.7047 12 M 4.1936 7.5549 115.7361 55.3383 32.3892 178.2568 13 K 3.8727 7.8528 121.6513 59.0980 31.8828 178.8239 *16 G 3.8222 7.9384 106.0989 44.9132 0.0000 173.3939 17 L 3.7809 7.4425 118.9715 54.8575 42.0920 175.5776 18 D 4.5077 7.4286 118.3592 55.6427 41.1564 175.2998 19 N 4.3800 9.5052 123.0767 54.1089 36.9909 173.3150 20 Y 4.2987 8.3299 121.2278 58.6574 39.0717 176.1927 21 R 3.4943 8.9960 124.5669 57.0187 27.5397 177.2113 22 G 3.7180 8.2458 105.5122 45.4168 0.0000 173.5707 23 Y 4.4459 7.9584 119.0322 56.1016 38.2811 175.6545 24 S 4.6541 8.5675 120.0449 57.8456 64.1307 174.8569 25 L 4.3270 8.6742 123.2002 58.8060 41.6666 179.6307 26 G 3.9783 8.4132 104.8597 48.2034 0.0000 175.0894 27 N 4.4995 8.3682 118.4548 56.0583 38.5425 177.5822 28 W 3.9330 7.8633 119.8620 59.5961 29.2701 178.7154 29 V 3.5522 7.9256 118.3734 65.8626 30.9383 177.3124 30 C 2.5640 7.9712 118.0516 58.9268 42.1088 175.2470 31 A 3.9162 7.7944 122.0613 55.1972 17.8554 179.2915 32 A 4.0979 7.6042 120.3777 54.4925 18.4253 179.5549 33 K 2.5722 7.5543 117.8500 59.4530 31.8819 178.7721 34 F 4.6085 7.1618 115.1135 59.2579 39.0117 177.2516 35 E 4.4187 8.2086 118.6550 57.9743 29.9859 177.1469 36 S 4.5626 8.0021 109.7515 56.5747 64.5091 173.3424 37 N 4.0285 8.5416 118.3328 55.0483 37.5765 174.2035 38 F 4.1406 8.0996 111.0165 57.8777 36.8060 173.9220 39 N 5.3821 7.9046 120.8686 51.9215 39.4086 175.9209 40 T 4.0504 8.9417 117.5692 64.4711 69.0138 175.6647 41 Q 4.3756 8.4559 119.2803 55.7477 29.1334 175.6337 42 A 4.3934 7.8068 122.2015 52.3653 19.3864 177.1383 43 T 5.4326 8.1660 110.2459 59.6700 72.5141 173.1318 44 N 4.8909 8.1321 119.2136 52.1696 43.2004 173.4483 45 R 4.6170 8.6120 124.3577 55.7898 31.5328 175.2336 46 N 4.9097 9.0773 123.1147 51.6965 41.1289 176.1527 47 T 3.8478 8.6570 117.1008 67.0392 68.5240 175.3041 48 D 4.5113 7.9748 117.2390 53.6989 39.5836 176.5754 49 G 3.9771 8.1957 109.8121 45.4406 0.0000 174.2602 50 S 4.5395 7.7576 114.2121 58.4687 64.9216 173.3748 51 T 5.0018 8.7474 115.8497 61.9278 72.6638 172.9206 52 D 5.4033 9.1295 125.0513 53.2914 43.2728 175.1261 53 Y 5.0119 9.0927 120.2334 57.4852 41.8952 177.0966 54 G 4.1723 9.2028 112.0206 45.2480 0.0000 173.2543 55 I 3.8574 8.3490 116.5303 62.9380 37.7243 177.4445 56 L 4.6093 7.9628 116.0799 53.5576 42.3185 176.2654 57 Q 3.5910 8.1336 116.6664 57.1161 26.8486 174.5462 58 I 4.1360 7.9121 118.5734 61.2972 39.1295 176.8968 59 N 5.4263 9.1055 125.7374 53.5232 39.8002 175.6960 60 S 4.6533 8.9136 120.0613 60.0572 63.5279 175.4240 61 R 3.6262 8.7104 122.2831 58.3891 30.4198 177.9416 62 W 4.1859 7.8810 116.8715 57.1261 31.9252 178.0430 63 W 4.6865 8.2136 118.8302 57.8729 29.3977 173.7439 64 C 5.5654 7.9364 110.6367 53.4116 42.7101 171.7990 65 N 4.9537 8.9129 119.6979 52.1186 39.4806 174.8060 66 D 4.6636 8.5242 123.1829 52.2509 40.4477 176.5988 67 G 3.9455 8.3871 107.5601 46.3468 0.0000 174.4205 68 R 4.5718 8.5389 112.5628 55.6882 30.7552 175.6503 69 T 4.3716 7.6133 116.7221 60.9318 68.5936 171.0615 70 P 4.3214 0.0000 0.0000 63.9059 31.8459 177.4415 71 G 3.8128 8.7775 110.2061 45.0901 0.0000 173.6181 72 S 4.1598 7.4219 114.0362 58.7525 62.7935 174.0262 73 R 4.2109 8.2387 123.8567 55.5498 31.5231 176.0036 74 N 4.2228 8.0603 115.3566 54.2201 37.2335 175.4892 75 L 4.0289 8.3710 118.0271 57.6562 42.0768 178.1683 76 C 4.6084 8.6811 114.1567 56.4274 41.0795 172.9041 77 N 4.1940 8.2989 117.4158 53.3529 36.1182 173.7631 78 I 4.5786 8.1334 110.2367 58.7745 41.5012 172.9956 79 P 4.7742 0.0000 0.0000 62.4907 32.2395 178.0035 80 C 3.9700 8.8176 119.5362 60.1444 35.8481 176.7550 81 S 3.8105 7.8662 114.8284 61.0283 62.5598 176.1655 82 A 4.0863 8.0562 124.4459 54.5246 17.5738 178.5962 83 L 4.3923 8.0475 116.3383 55.7246 41.7251 177.9245 84 L 5.4212 7.4211 117.5485 53.9100 42.5449 176.9706 85 S 4.3214 7.3784 112.7343 57.9936 62.7782 174.4379 86 S 4.1860 8.5542 119.7015 60.4537 63.1039 173.6405 87 D 4.6489 7.8358 121.5508 53.3126 40.8938 176.0177 88 I 4.2208 8.3433 120.2914 61.4463 37.8282 177.1630 89 T 3.7590 7.9502 119.0074 67.3320 68.3390 175.9187 90 A 4.0190 7.9826 121.7118 55.3250 18.3086 179.7509 91 S 4.0671 7.9259 113.1096 61.6427 63.1195 176.8540 92 V 3.2948 7.9248 121.2396 66.1138 30.8607 177.9292 93 N 4.2549 8.4743 116.5049 56.0513 38.2893 176.6173 94 C 4.0858 8.2658 119.9641 59.2419 44.6529 175.3087 95 A 4.0644 8.2812 122.8807 55.1422 17.6716 179.6964 96 K 3.5707 7.4427 115.9128 59.4080 32.1644 179.4368 97 K 4.1878 7.4463 118.4080 59.3925 32.0148 179.4636 98 I 2.8933 7.2298 120.2819 64.0776 36.4507 178.8467 99 V 3.8115 8.1603 119.2669 64.0508 31.4800 177.6770 100 S 4.5668 7.8416 115.2889 59.7164 62.8787 175.2967 101 D 4.5838 7.9212 120.6948 55.9614 40.8869 175.7941 102 G 3.7048 6.9154 107.8409 45.6655 0.0000 174.1324 103 N 4.6568 8.3766 116.9126 52.2751 40.2106 175.6085 104 G 3.9298 7.8135 105.6948 46.3038 0.0000 175.0981 105 M 4.1245 7.5290 120.1146 56.3803 31.7552 177.7675 106 N 4.8077 7.7805 116.4194 55.3228 38.8389 176.2298 107 A 3.8566 7.5232 120.8946 53.7136 18.7243 177.8137 108 W 4.6105 8.1799 117.1167 55.0339 30.0119 177.1095 109 V 3.7315 8.5556 125.6345 65.0538 30.7243 178.0946 110 A 4.0033 8.3106 121.2019 54.3782 18.1825 179.5000 111 W 3.9810 8.3104 126.5545 60.6158 30.7211 177.9124 112 R 3.5777 8.1394 117.2532 59.5020 29.6356 177.6944 113 N 4.5388 8.1556 113.8915 54.4315 38.9224 175.9278 114 R 4.4238 7.8870 115.7794 55.3108 32.6556 174.9640 115 C 4.7089 7.6732 114.0825 57.8504 42.4400 173.9452 116 K 3.0653 6.8511 120.5527 57.8878 31.5414 176.2367 117 G 3.8090 8.8732 113.9884 46.1836 0.0000 172.3178 118 T 4.5142 7.4067 108.9615 59.1068 71.0859 174.4078 119 D 4.6254 8.2271 121.1010 53.6884 39.7169 176.5887 120 V 4.3508 8.1449 118.2939 62.8474 32.5452 178.6652 121 Q 4.1294 8.4012 119.1996 58.8290 28.1103 178.0909 122 A 3.9964 7.7561 120.4686 54.9407 18.0183 179.6244 123 W 4.2388 8.1391 116.8274 58.6138 29.4259 177.0289 124 I 4.4420 7.6870 110.7489 60.0984 37.6241 175.2540 125 R 4.0695 7.3596 122.1660 58.0379 30.1420 176.9188 126 G 3.9849 8.9824 113.1674 45.4944 0.0000 173.7669 127 C 4.5614 7.6743 117.2284 55.6381 41.3300 173.3705 128 R 4.2757 8.4551 124.3310 55.5772 29.8058 176.1590 129 L 4.3237 8.4214 124.5752 54.8826 41.9533 176.4938 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 K 8.17 4.17 0.00 1.71 1.58 0.00 1.27 0.00 0.00 0.68 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.82 1.14 7.81 2 V 8.22 4.53 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 0.94 0.00 0.00 0.98 0.00 0.00 3 F 9.68 4.58 0.00 2.93 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 4 G 8.73 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 5 R 8.88 3.47 0.00 2.08 1.99 0.00 3.61 0.00 0.00 3.70 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.04 0.00 6 C 8.07 4.30 0.00 3.01 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 7 E 8.07 3.90 0.00 2.08 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 2.74 2.47 0.00 8 L 8.15 3.30 0.00 1.26 1.27 -0.11 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.73 3.89 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 10 A 8.01 4.02 1.38 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 0.00 0.00 0.00 11 A 7.77 3.98 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 12 M 7.55 4.19 0.00 1.83 1.95 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.28 0.00 13 K 7.85 3.87 0.00 1.78 1.83 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.64 7.81 *16 G 7.94 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 17 L 7.44 3.78 0.00 1.08 0.13 -0.15 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 18 D 7.43 4.51 0.00 2.67 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 19 N 9.51 4.38 0.00 3.03 2.95 0.00 0.00 6.25 6.99 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 20 Y 8.33 4.30 0.00 3.02 2.98 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 21 R 9.00 3.49 0.00 2.32 2.39 0.00 2.95 0.00 0.00 2.63 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 22 G 8.25 3.72 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 0.00 0.00 0.00 23 Y 7.96 4.45 0.00 3.32 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 24 S 8.57 4.65 0.00 4.10 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 25 L 8.67 4.33 0.00 2.08 1.83 0.96 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.41 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 0.00 0.00 0.00 27 N 8.37 4.50 0.00 2.71 2.45 0.00 0.00 6.98 7.49 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 28 W 7.86 3.93 0.00 3.43 3.03 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 29 V 7.93 3.55 2.14 0.00 0.00 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 0.00 0.00 0.99 0.00 0.00 30 C 7.97 2.56 0.00 2.42 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 31 A 7.79 3.92 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 0.00 0.00 0.00 0.00 0.00 32 A 7.60 4.10 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 33 K 7.55 2.57 0.00 0.86 0.74 0.00 0.61 0.00 0.00 0.71 0.00 0.00 2.98 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.53 0.36 7.81 34 F 7.16 4.61 0.00 3.06 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 35 E 8.21 4.42 0.00 1.98 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 0.00 2.55 2.53 0.00 36 S 8.00 4.56 0.00 4.15 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 37 N 8.54 4.03 0.00 2.81 2.89 0.00 0.00 7.16 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 38 F 8.10 4.14 0.00 3.33 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 39 N 7.90 5.38 0.00 2.89 2.92 0.00 0.00 6.97 7.19 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 40 T 8.94 4.05 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 1.57 0.00 0.00 41 Q 8.46 4.38 0.00 2.22 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.86 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 42 A 7.81 4.39 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 43 T 8.17 5.43 3.96 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 1.32 0.00 0.00 44 N 8.13 4.89 0.00 2.70 2.68 0.00 0.00 6.55 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 45 R 8.61 4.62 0.00 1.76 1.79 0.00 3.25 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.69 0.00 46 N 9.08 4.91 0.00 2.86 2.72 0.00 0.00 6.85 7.06 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 47 T 8.66 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 1.21 0.00 0.00 48 D 7.97 4.51 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 49 G 8.20 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 0.00 0.00 0.00 50 S 7.76 4.54 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 51 T 8.75 5.00 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 52 D 9.13 5.40 0.00 2.64 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 53 Y 9.09 5.01 0.00 2.95 2.87 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 0.00 0.00 0.00 0.00 54 G 9.20 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 0.00 0.00 0.00 55 I 8.35 3.86 1.93 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 2.24 0.89 0.00 0.00 56 L 7.96 4.61 0.00 1.79 1.78 0.76 0.65 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 57 Q 8.13 3.59 0.00 2.44 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.42 6.83 0.00 0.00 0.00 0.00 0.00 2.51 2.77 0.00 58 I 7.91 4.14 2.05 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 1.23 0.93 1.07 0.00 0.00 59 N 9.11 5.43 0.00 3.04 3.06 0.00 0.00 6.98 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 60 S 8.91 4.65 0.00 4.03 4.32 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 61 R 8.71 3.63 0.00 1.54 1.44 0.00 2.51 0.00 0.00 2.52 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.81 0.00 62 W 7.88 4.19 0.00 1.78 2.22 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 63 W 8.21 4.69 0.00 3.69 3.34 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 64 C 7.94 5.57 0.00 3.23 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 65 N 8.91 4.95 0.00 2.77 2.68 0.00 0.00 7.08 8.84 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 66 D 8.52 4.66 0.00 2.80 2.60 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 67 G 8.39 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 68 R 8.54 4.57 0.00 1.88 1.95 0.00 3.04 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 69 T 7.61 4.37 4.18 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 1.10 0.00 0.00 70 P 0.00 4.32 0.00 1.98 1.95 0.00 3.66 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.06 0.00 71 G 8.78 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 0.00 0.00 0.00 72 S 7.42 4.16 0.00 3.82 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 0.00 73 R 8.24 4.21 0.00 1.89 1.90 0.00 3.40 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.45 0.00 74 N 8.06 4.22 0.00 2.90 2.77 0.00 0.00 7.24 6.66 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 75 L 8.37 4.03 0.00 1.59 1.82 0.36 0.78 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 76 C 8.68 4.61 0.00 3.34 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 77 N 8.30 4.19 0.00 2.85 2.87 0.00 0.00 6.72 7.25 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 78 I 8.13 4.58 1.87 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 1.48 0.92 0.97 0.00 0.00 79 P 0.00 4.77 0.00 2.18 2.17 0.00 3.69 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.96 0.00 80 C 8.82 3.97 0.00 1.98 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 81 S 7.87 3.81 0.00 4.03 4.09 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 82 A 8.06 4.09 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.05 4.39 0.00 1.89 1.80 1.02 0.66 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 84 L 7.42 5.42 0.00 1.81 1.77 1.07 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 85 S 7.38 4.32 0.00 3.90 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 86 S 8.55 4.19 0.00 3.96 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 87 D 7.84 4.65 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 88 I 8.34 4.22 1.79 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.82 0.97 0.00 0.00 89 T 7.95 3.76 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 1.23 0.00 0.00 90 A 7.98 4.02 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 91 S 7.93 4.07 0.00 4.01 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 92 V 7.92 3.29 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 0.73 0.00 0.00 0.71 0.00 0.00 93 N 8.47 4.25 0.00 2.71 2.78 0.00 0.00 6.72 7.35 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 94 C 8.27 4.09 0.00 3.10 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 95 A 8.28 4.06 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 96 K 7.44 3.57 0.00 1.70 1.51 0.00 1.38 0.00 0.00 1.09 0.00 0.00 2.36 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.30 1.18 7.81 97 K 7.45 4.19 0.00 1.87 1.96 0.00 1.80 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.67 7.81 98 I 7.23 2.89 1.54 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.31 -0.18 0.00 0.00 99 V 8.16 3.81 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 1.39 0.00 0.00 0.87 0.00 0.00 100 S 7.84 4.57 0.00 4.09 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 0.00 101 D 7.92 4.58 0.00 2.93 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 0.00 102 G 6.92 3.70 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 0.00 0.00 0.00 103 N 8.38 4.66 0.00 2.70 2.75 0.00 0.00 7.12 8.06 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 0.00 104 G 7.81 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 0.00 0.00 0.00 105 M 7.53 4.12 0.00 0.51 0.57 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.10 0.00 106 N 7.78 4.81 0.00 3.06 3.01 0.00 0.00 6.89 8.11 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 0.00 107 A 7.52 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 W 8.18 4.61 0.00 3.64 3.22 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 0.00 109 V 8.56 3.73 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 0.87 0.00 0.00 0.97 0.00 0.00 110 A 8.31 4.00 1.49 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 0.00 111 W 8.31 3.98 0.00 3.33 3.47 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 0.00 112 R 8.14 3.58 0.00 2.18 2.15 0.00 3.34 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 2.00 0.00 113 N 8.16 4.54 0.00 2.66 2.76 0.00 0.00 6.86 7.41 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 0.00 114 R 7.89 4.42 0.00 1.40 1.13 0.00 2.81 0.00 0.00 2.59 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.30 0.00 115 C 7.67 4.71 0.00 2.43 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 0.00 116 K 6.85 3.07 0.00 0.79 1.30 0.00 1.55 0.00 0.00 1.51 0.00 0.00 2.99 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.19 0.97 7.81 117 G 8.87 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 0.00 0.00 0.00 118 T 7.41 4.51 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 1.25 0.00 0.00 119 D 8.23 4.63 0.00 2.79 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.14 4.35 2.38 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 0.96 0.00 0.00 1.11 0.00 0.00 121 Q 8.40 4.13 0.00 2.37 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.49 2.56 0.00 122 A 7.76 4.00 1.17 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 0.00 0.00 123 W 8.14 4.24 0.00 3.55 3.38 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 0.00 124 I 7.69 4.44 1.93 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 1.27 0.87 1.02 0.00 0.00 125 R 7.36 4.07 0.00 1.85 1.92 0.00 3.24 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 126 G 8.98 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 0.00 0.00 0.00 127 C 7.67 4.56 0.00 3.10 3.03 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 0.00 128 R 8.46 4.28 0.00 1.77 1.86 0.00 3.20 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 129 L 8.42 4.32 0.00 1.66 1.54 0.94 0.90 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 * Residues marked with a * may have inaccurate shift predictions.