NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.5158 8.3349 115.5540 58.1773 64.8424 172.5477 2 N 4.8758 8.9970 118.5361 50.8451 40.1848 172.9227 3 S 5.1527 9.9494 119.3069 56.8802 65.9970 172.7437 4 I 5.1176 9.0341 124.6704 59.7785 40.7767 174.2957 5 T 4.9885 9.0166 123.9326 61.6824 71.4217 173.2569 6 V 4.3903 8.9432 126.7969 60.9593 34.1293 174.1239 7 R 4.9421 8.4818 128.4878 54.8132 31.5339 174.3675 8 A 5.0787 8.4696 127.1853 51.0289 22.9146 174.7449 9 R 4.7197 8.9892 114.9075 54.9071 33.5291 174.3705 10 G 4.3061 9.0124 107.3535 44.6885 0.0000 175.0036 11 V 4.0753 8.7134 115.3932 62.9758 32.0928 177.0768 12 N 4.8187 8.9594 114.6046 51.8053 37.9372 175.2263 13 G 3.9560 8.5433 106.7420 46.1504 0.0000 174.4025 14 Q 4.4340 8.1872 117.3648 55.9570 29.7559 175.9592 15 E 4.5932 7.9926 118.9659 56.3528 31.1429 175.5060 16 S 5.3348 9.9868 118.9272 56.6738 65.1424 173.1548 17 V 5.1968 8.9139 119.3065 59.7463 35.7810 174.6041 18 S 5.0408 9.1864 119.3009 56.6156 66.5162 172.9845 19 L 4.8216 8.6980 126.9884 54.5491 43.1863 175.2029 20 Q 5.1789 9.1810 125.9110 54.0492 32.2993 174.8855 21 V 4.6065 8.5456 123.0974 61.4897 34.6070 175.5944 22 G 4.0161 10.0527 116.4073 46.4534 0.0000 174.3215 23 G 3.8932 8.5289 107.3049 44.8814 0.0000 174.1217 24 T 4.3305 7.6721 117.5283 62.2333 69.6455 174.1516 25 T 4.4442 8.3208 123.4962 63.1981 68.8307 174.6472 26 V 3.8143 8.6594 127.8351 65.1596 32.2388 175.5769 27 Q 4.3186 7.0770 117.6643 55.3020 32.2730 173.0915 28 T 4.7704 7.3632 118.9273 61.6165 72.5035 173.4220 29 W 5.1995 9.1348 124.7974 55.2106 33.8507 174.3289 30 T 4.7382 8.6472 120.1543 63.0824 68.7631 174.8611 31 L 4.5455 9.3075 126.9749 53.9921 43.8380 176.2644 32 T 4.6413 8.3431 111.3060 60.4327 71.6808 174.9752 33 T 5.1205 8.8293 108.9071 61.8859 70.5359 174.7808 34 A 4.4992 6.9631 123.3266 52.2186 18.0609 179.7814 *36 Q 3.9170 8.5860 120.7667 58.2257 30.3097 172.1730 37 D 4.8171 8.1882 124.8982 54.0946 41.6585 175.2711 38 Y 4.4076 8.8350 121.1357 56.0344 40.9562 174.7468 39 T 5.0923 8.5751 113.2692 60.1694 72.0116 172.7787 40 A 5.0252 9.2013 124.1998 51.0255 23.3411 175.0580 41 S 5.2483 8.4279 112.6470 57.3065 66.4632 173.2878 42 T 4.6296 8.7467 114.5131 61.5784 70.6289 174.3856 43 S 4.5366 8.8103 122.2513 59.4790 63.5962 174.9380 44 L 4.2226 7.7168 121.1161 55.1483 41.9633 176.7894 45 T 4.5665 8.2988 109.2947 61.1798 70.5270 174.0820 46 G 4.2513 7.9134 110.3830 45.9134 0.0000 172.0516 47 E 4.4191 8.7935 120.2002 56.9743 30.6758 176.0176 48 I 4.7540 8.7520 128.2155 60.5022 38.8970 174.9758 49 R 5.2737 9.3379 126.0610 54.3691 34.0280 174.7465 50 V 4.8068 9.0772 123.0627 61.4608 33.4669 174.1096 51 A 5.4750 9.0999 130.6547 50.1785 21.8261 174.4405 52 F 5.4975 9.4904 126.4353 57.5499 40.5184 175.9512 53 T 4.6485 8.8501 114.8801 60.4726 70.1769 173.6702 54 N 4.9197 7.1203 119.0373 51.4381 37.5417 174.3292 55 D 4.1294 7.8257 117.2482 55.9156 42.1529 174.8322 56 A 4.4527 8.2660 126.5033 51.2138 22.0921 175.2159 57 T 3.9456 8.3911 116.0041 65.9240 68.4592 175.2320 58 G 3.9798 9.1202 114.8582 44.9855 0.0000 172.7243 59 R 4.9690 7.5847 118.8823 54.9533 31.7413 175.5985 60 D 4.7647 8.6914 121.1217 53.2809 45.9351 174.1718 61 V 4.5304 8.6928 121.1228 61.0058 34.8319 174.0098 62 Q 4.1945 8.6017 128.1315 53.9529 31.5265 173.8476 63 V 4.4293 8.3746 127.1301 61.5053 32.9734 174.7850 64 D 4.5180 9.0709 129.1479 56.1729 42.0066 175.2592 65 Y 5.3662 6.7753 113.8345 56.6538 41.0012 171.7470 66 I 5.0098 8.2834 112.5572 58.9868 41.3779 174.4195 67 V 4.8150 8.9310 123.0167 61.1000 34.4952 174.3252 68 V 4.6138 8.7288 127.7862 61.0891 33.8582 175.2877 69 N 4.2309 10.0936 128.8769 54.4419 36.5243 175.6622 70 G 3.9183 8.3608 103.9029 45.2554 0.0000 172.9827 71 Q 4.5957 7.8101 119.7516 54.3349 30.8480 175.0115 72 T 4.5577 8.4347 121.3273 63.0773 69.9215 174.4930 73 R 4.6333 9.0629 125.4768 54.2985 32.9957 175.4276 74 Q 4.6056 8.7633 123.9487 55.4069 29.8488 177.4940 75 A 4.1275 9.3030 126.4645 55.2992 18.7364 179.6694 76 E 4.0897 8.2223 113.0501 58.8185 29.8915 177.7813 77 N 4.7278 7.8532 115.3621 53.4441 39.0241 174.6271 78 Q 4.3779 7.8297 119.9306 54.4255 29.7364 176.9586 79 S 4.1115 8.6064 117.3566 59.7914 63.9314 173.3036 80 V 4.2680 7.5600 122.0955 61.1115 33.2770 174.0805 81 N 5.0891 8.4887 126.9574 52.6716 41.6249 174.0683 82 T 4.3342 8.8140 116.7475 61.6028 69.2875 175.2517 83 G 4.2953 8.1448 109.2206 46.6183 0.0000 174.1329 84 V 4.2856 8.4824 121.7476 61.6541 32.7146 175.4951 85 W 5.0590 9.2890 134.1810 56.5516 31.2381 175.1048 86 A 4.3970 8.2953 129.5649 51.9090 21.9932 175.0659 87 N 4.0794 9.2131 117.6799 55.1693 37.4799 173.3800 88 N 3.8056 7.6496 107.1765 53.2052 36.6922 174.1548 89 Q 3.6078 5.7400 111.5020 54.8741 31.0757 173.8177 90 C 4.8166 8.6208 117.1117 58.0984 39.2444 173.9517 91 G 3.8527 9.1197 112.2107 46.5515 0.0000 176.0805 92 G 3.7373 8.0490 108.9968 46.8843 0.0000 174.3996 93 S 4.4841 7.2510 112.9010 56.7653 65.4920 173.9121 94 G 3.8432 8.2894 114.3822 44.4809 0.0000 172.5160 95 N 4.5555 8.5364 112.9602 53.5350 36.0299 174.7783 96 S 4.7864 7.4933 109.7962 56.5584 66.3227 173.2289 97 E 4.2523 8.8191 124.5109 57.9088 30.4417 176.1840 98 W 5.0401 8.2257 119.8646 55.2094 30.9996 176.2419 99 L 4.6952 9.2557 124.0416 53.9262 43.1761 176.7890 100 H 5.0962 8.9938 121.0054 57.7177 29.5543 177.3085 101 C 4.9291 8.6895 114.2175 55.5210 41.2396 173.3066 102 N 4.4019 8.6397 118.7056 52.6734 38.9148 176.1772 103 G 4.0078 7.5623 108.8402 46.5529 0.0000 170.2635 104 Y 5.4648 7.6242 117.2600 56.0778 42.2989 173.8309 105 I 4.8536 8.7835 121.0837 59.7499 39.5112 174.7973 106 S 5.1148 8.6141 122.5287 57.3658 63.1783 173.6367 107 F 4.8724 9.0089 124.6677 56.2586 39.9685 176.6588 108 G 4.0712 8.0879 103.8574 44.9025 0.0000 173.1588 109 N 4.8929 8.2657 115.2156 52.6027 39.1815 175.6175 110 V 3.7767 8.1186 121.2789 65.9100 32.0475 176.1569 111 S 4.7613 8.0081 114.0318 56.6037 63.6327 173.0638 112 L 4.9058 8.3355 125.7484 52.9535 45.6952 174.9283 113 E 5.0367 8.3425 119.2784 55.0540 32.9103 173.8070 114 H 4.8600 9.5593 124.5579 56.5825 33.2426 173.1981 115 H 4.0086 9.6472 125.1178 57.4909 26.1646 174.6806 116 H 4.4019 7.8891 109.3158 56.3585 26.6886 174.4648 117 H 4.9103 8.1585 118.0269 54.4615 29.9843 173.6211 118 H 5.3997 8.8230 121.4940 54.2643 30.6814 174.2365 119 H 4.4981 8.9770 119.3182 55.9302 28.4618 173.0625 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 S 8.33 4.52 0.00 3.94 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 0.00 2 N 9.00 4.88 0.00 2.79 2.78 0.00 0.00 7.06 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.95 5.15 0.00 3.91 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 4 I 9.03 5.12 1.94 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 1.24 0.86 0.92 0.00 0.00 5 T 9.02 4.99 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 1.19 0.00 0.00 6 V 8.94 4.39 1.78 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 0.81 0.00 0.00 0.93 0.00 0.00 7 R 8.48 4.94 0.00 1.34 0.72 0.00 2.92 0.00 0.00 2.40 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.40 0.00 8 A 8.47 5.08 1.09 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 0.00 0.00 9 R 8.99 4.72 0.00 1.76 1.94 0.00 2.65 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.41 0.00 10 G 9.01 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 11 V 8.71 4.08 2.17 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 1.03 0.00 0.00 1.07 0.00 0.00 12 N 8.96 4.82 0.00 2.80 2.99 0.00 0.00 7.05 7.40 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 13 G 8.54 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 0.00 0.00 0.00 0.00 14 Q 8.19 4.43 0.00 2.24 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.61 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 15 E 7.99 4.59 0.00 1.93 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 2.20 2.47 0.00 16 S 9.99 5.33 0.00 3.89 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 17 V 8.91 5.20 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 0.75 0.00 0.00 1.00 0.00 0.00 18 S 9.19 5.04 0.00 3.72 3.67 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 19 L 8.70 4.82 0.00 2.08 1.56 1.05 0.77 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 20 Q 9.18 5.18 0.00 1.93 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.53 0.00 0.00 0.00 0.00 0.00 2.22 2.25 0.00 21 V 8.55 4.61 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 0.99 0.00 0.00 0.95 0.00 0.00 22 G 10.05 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 23 G 8.53 3.89 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 0.00 0.00 0.00 24 T 7.67 4.33 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 1.18 0.00 0.00 25 T 8.32 4.44 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 1.13 0.00 0.00 26 V 8.66 3.81 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 0.71 0.00 0.00 0.96 0.00 0.00 27 Q 7.08 4.32 0.00 1.85 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.65 0.00 0.00 0.00 0.00 0.00 1.69 1.16 0.00 28 T 7.36 4.77 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 1.14 0.00 0.00 29 W 9.13 5.20 0.00 2.88 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 30 T 8.65 4.74 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 1.31 0.00 0.00 31 L 9.31 4.55 0.00 1.54 1.55 0.81 -0.09 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 32 T 8.34 4.64 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 1.27 0.00 0.00 33 T 8.83 5.12 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 1.30 0.00 0.00 34 A 6.96 4.50 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 *36 Q 8.59 3.92 0.00 2.03 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.05 0.00 0.00 0.00 0.00 0.00 1.70 1.47 0.00 37 D 8.19 4.82 0.00 2.39 2.40 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 0.00 38 Y 8.83 4.41 0.00 1.63 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 39 T 8.58 5.09 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 1.17 0.00 0.00 40 A 9.20 5.03 1.41 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 0.00 0.00 0.00 41 S 8.43 5.25 0.00 3.90 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 42 T 8.75 4.63 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 1.28 0.00 0.00 43 S 8.81 4.54 0.00 3.90 3.89 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 44 L 7.72 4.22 0.00 1.65 1.60 0.97 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 45 T 8.30 4.57 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 1.27 0.00 0.00 46 G 7.91 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 0.00 0.00 0.00 0.00 47 E 8.79 4.42 0.00 2.07 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 2.39 2.39 0.00 48 I 8.75 4.75 2.03 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 0.59 0.98 0.00 0.00 49 R 9.34 5.27 0.00 1.55 1.66 0.00 2.65 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.35 0.00 50 V 9.08 4.81 2.41 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 1.05 0.00 0.00 0.96 0.00 0.00 51 A 9.10 5.47 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 52 F 9.49 5.50 0.00 2.98 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 53 T 8.85 4.65 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 1.25 0.00 0.00 54 N 7.12 4.92 0.00 2.78 2.84 0.00 0.00 6.01 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 55 D 7.83 4.13 0.00 2.18 2.42 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.27 4.45 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 57 T 8.39 3.95 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 1.20 0.00 0.00 58 G 9.12 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 59 R 7.58 4.97 0.00 2.09 2.19 0.00 3.51 0.00 0.00 3.40 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.68 0.00 60 D 8.69 4.76 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 61 V 8.69 4.53 1.65 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 0.64 0.00 0.00 0.00 0.00 0.00 62 Q 8.60 4.19 0.00 0.93 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.55 0.00 0.00 0.00 0.00 0.00 1.61 1.16 0.00 63 V 8.37 4.43 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 0.92 0.00 0.00 0.92 0.00 0.00 64 D 9.07 4.52 0.00 2.49 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 0.00 0.00 0.00 0.00 65 Y 6.78 5.37 0.00 3.19 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 66 I 8.28 5.01 1.66 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 1.01 -0.07 0.00 0.00 67 V 8.93 4.81 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 0.99 0.00 0.00 1.00 0.00 0.00 68 V 8.73 4.61 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 0.95 0.00 0.00 0.93 0.00 0.00 69 N 10.09 4.23 0.00 2.83 2.84 0.00 0.00 7.18 7.47 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 70 G 8.36 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 71 Q 7.81 4.60 0.00 2.20 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.93 0.00 0.00 0.00 0.00 0.00 2.29 2.47 0.00 72 T 8.43 4.56 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 0.68 0.00 0.00 73 R 9.06 4.63 0.00 1.90 2.13 0.00 3.28 0.00 0.00 3.39 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 74 Q 8.76 4.61 0.00 2.15 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.89 0.00 0.00 0.00 0.00 0.00 2.47 2.33 0.00 75 A 9.30 4.13 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 76 E 8.22 4.09 0.00 2.16 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 0.00 2.40 2.31 0.00 77 N 7.85 4.73 0.00 2.96 2.91 0.00 0.00 6.95 7.68 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 78 Q 7.83 4.38 0.00 1.88 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.83 0.00 0.00 0.00 0.00 0.00 2.27 1.32 0.00 79 S 8.61 4.11 0.00 3.98 4.10 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 80 V 7.56 4.27 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 0.96 0.00 0.00 0.95 0.00 0.00 81 N 8.49 5.09 0.00 2.70 2.77 0.00 0.00 6.80 7.22 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 82 T 8.81 4.33 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 0.50 0.00 0.00 83 G 8.14 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 0.00 0.00 0.00 0.00 84 V 8.48 4.29 2.35 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 0.74 0.00 0.00 1.10 0.00 0.00 85 W 9.29 5.06 0.00 3.47 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 86 A 8.30 4.40 1.16 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 87 N 9.21 4.08 0.00 2.68 2.66 0.00 0.00 7.13 7.79 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 88 N 7.65 3.81 0.00 2.77 2.75 0.00 0.00 7.01 7.69 0.00 0.00 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 5.74 3.61 0.00 1.93 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.95 7.10 0.00 0.00 0.00 0.00 0.00 2.21 2.07 0.00 90 C 8.62 4.82 0.00 3.05 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 91 G 9.12 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 92 G 8.05 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 0.00 0.00 0.00 93 S 7.25 4.48 0.00 3.73 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 94 G 8.29 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 0.00 0.00 0.00 95 N 8.54 4.56 0.00 2.86 3.01 0.00 0.00 6.64 7.38 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 96 S 7.49 4.79 0.00 3.84 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 97 E 8.82 4.25 0.00 1.69 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 2.43 2.34 0.00 98 W 8.23 5.04 0.00 3.15 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 99 L 9.26 4.70 0.00 1.56 1.84 1.10 1.14 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 0.00 100 H 8.99 5.10 0.00 3.36 3.43 0.00 5.94 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 C 8.69 4.93 0.00 3.08 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 0.00 102 N 8.64 4.40 0.00 2.65 2.71 0.00 0.00 6.78 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 0.00 103 G 7.56 4.01 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 0.00 0.00 0.00 104 Y 7.62 5.46 0.00 3.20 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 0.00 105 I 8.78 4.85 1.94 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 1.10 0.86 0.40 0.00 0.00 106 S 8.61 5.11 0.00 4.19 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 0.00 107 F 9.01 4.87 0.00 3.01 3.11 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 0.00 108 G 8.09 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 0.00 109 N 8.27 4.89 0.00 2.72 2.79 0.00 0.00 7.21 7.68 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 0.00 110 V 8.12 3.78 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 0.71 0.00 0.00 1.02 0.00 0.00 111 S 8.01 4.76 0.00 3.92 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 0.00 112 L 8.34 4.91 0.00 1.25 1.44 0.95 0.83 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 0.00 113 E 8.34 5.04 0.00 1.88 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 2.14 2.06 0.00 114 H 9.56 4.86 0.00 3.20 3.13 0.00 5.98 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 H 9.65 4.01 0.00 3.23 3.26 0.00 5.90 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 H 7.89 4.40 0.00 3.24 3.40 0.00 5.73 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 H 8.16 4.91 0.00 3.33 3.23 0.00 5.58 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 H 8.82 5.40 0.00 3.16 3.24 0.00 5.67 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 H 8.98 4.50 0.00 3.27 3.22 0.00 5.78 0.00 0.00 0.00 0.00 6.91 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.