NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 V 3.9246 8.0544 120.3798 62.2458 33.7847 175.4762 5 D 4.0842 7.7620 116.7156 53.9325 42.3311 175.4747 6 P 3.6900 0.0000 0.0000 65.4917 32.0903 178.2751 7 Q 4.0124 7.7660 116.4986 58.7141 28.8922 178.1399 8 L 3.9085 7.7013 120.8881 58.0167 42.0495 178.6409 9 K 3.9483 7.9355 118.1831 58.6474 32.3930 177.5634 10 F 5.1057 7.9006 116.5510 58.6624 39.9334 177.2218 11 A 4.3612 7.9968 119.3009 53.8680 18.4871 178.0297 12 M 4.3125 7.8393 114.7680 57.3308 32.7005 176.9260 13 Q 4.3209 8.0471 117.1831 58.0224 29.2281 177.8299 14 R 4.3146 7.6307 118.7509 60.9574 30.7227 178.2797 15 D 4.4387 8.2337 119.9250 56.9112 41.3291 177.2290 16 L 4.4898 8.3573 119.0643 54.3491 41.7466 177.8958 17 G 4.0103 8.0538 104.9778 46.4485 0.0000 175.3049 18 I 3.8349 7.8829 120.0388 64.2990 37.5740 176.2547 19 F 4.4675 7.5216 117.7890 56.9202 42.2292 171.8265 20 P 4.5907 0.0000 0.0000 61.9770 29.7104 176.3916 21 T 4.2482 7.8663 109.6713 62.3525 69.9409 175.1578 22 Q 4.4485 8.5556 124.9157 54.5300 28.6769 175.8920 23 L 4.3367 8.7820 124.3440 58.0258 41.7674 177.0017 24 P 4.1210 0.0000 0.0000 66.1767 31.1432 177.7181 25 Q 4.0960 8.2735 117.6061 60.1918 28.9621 178.5929 26 Y 3.7769 8.5052 120.8580 60.2597 38.8698 177.6061 27 L 3.6952 7.9985 119.1701 57.9053 41.6851 179.2993 28 Q 3.9236 8.5943 119.5255 59.7323 28.9823 178.8259 29 T 3.8211 7.9516 116.8893 66.2696 68.3885 176.1993 30 E 3.6324 8.0627 121.7179 60.0140 29.4669 178.2882 31 K 3.9771 8.3621 118.6196 57.9040 31.8706 178.9657 32 L 3.7331 8.0402 121.2340 58.8294 42.3155 179.0112 33 A 3.9593 7.8237 120.3993 54.4955 18.4122 179.0510 34 R 4.0261 8.2155 114.8956 59.8104 30.2439 179.4728 35 T 3.8990 7.8637 113.6248 66.4472 68.7719 175.8978 36 Q 4.4043 7.9386 117.5465 56.4075 28.8492 177.2474 37 A 3.9558 7.7538 122.8564 55.5427 18.1093 179.8303 38 A 3.8152 7.9807 116.1744 54.9998 18.5976 179.4921 39 A 3.8539 7.8088 117.4757 55.5094 18.8578 179.3790 40 I 3.8344 8.3767 118.2940 64.5824 37.2446 178.1099 41 E 3.2582 8.1226 119.1576 59.6925 29.1446 179.9034 42 R 3.8307 7.8300 116.3480 59.5312 30.1808 178.2532 43 E 3.7585 7.5807 117.7174 59.5019 29.6914 178.6419 44 F 4.3313 7.3302 117.2277 58.1404 39.6036 177.0611 45 G 3.8212 9.4776 107.4860 46.0055 0.0000 175.1436 46 A 4.0881 9.1472 124.5530 55.3513 18.3083 179.2885 47 Q 4.2006 8.3826 114.7660 58.7697 29.3039 176.2798 48 F 4.2243 7.9293 118.9239 57.7852 39.9975 175.3917 49 A 4.5738 8.0063 128.1568 51.1036 20.2787 175.0872 50 G 4.3142 5.3800 101.0424 43.1977 0.0000 172.6854 51 S 4.7094 8.4825 114.8948 56.9351 67.3955 173.4207 52 W 5.3848 8.2440 118.9949 55.5852 31.8986 173.4525 53 I 4.9363 8.5808 122.2962 60.7356 37.5740 175.5500 54 E 4.8331 9.4411 128.0319 55.2422 32.5783 174.8137 55 R 4.8401 8.3093 119.0209 54.5209 31.9671 176.4929 56 N 4.5635 9.9950 123.4353 52.7315 40.0037 175.4055 57 E 3.8161 8.5801 122.6599 59.1249 30.3089 178.0062 58 D 4.6982 7.9619 118.6644 52.8199 39.2921 178.4871 59 G 3.6600 7.7403 105.9834 47.1544 0.0000 174.1556 60 S 4.2531 7.6631 114.6480 58.4226 64.3701 173.2750 61 F 5.2147 8.9798 120.3365 56.1769 40.4928 175.5248 62 K 4.7717 9.7765 122.0243 55.0300 36.5781 174.5556 63 L 4.8994 8.3935 123.3523 53.6581 44.0997 174.8452 64 V 4.5046 9.0712 127.7792 60.9060 33.7878 174.0488 65 A 5.1683 8.5686 129.2830 49.1881 21.1840 175.7034 66 A 4.5221 8.3782 124.9847 51.2460 21.4477 175.8074 67 T 4.2658 7.5900 109.6240 61.2061 70.5038 173.6082 68 S 4.8312 8.5129 122.6780 58.5328 63.6394 174.7910 69 G 4.0040 9.4818 116.6900 45.6646 0.0000 174.3660 70 A 4.9083 8.7144 129.7623 51.8588 20.8242 178.2676 71 R 4.3259 7.3849 116.8143 55.2856 28.4027 177.0635 72 K 4.1257 8.8464 124.7125 58.4698 32.6142 176.8567 73 S 4.8536 7.4078 112.5675 56.6887 66.0545 173.0292 74 S 4.5721 8.1381 112.8518 57.8110 64.7519 173.8125 75 T 4.4250 8.4533 117.1185 61.9157 68.8171 174.5645 76 L 4.3099 7.6992 121.8856 54.6421 42.4924 176.9226 77 G 3.6941 8.4827 111.4018 46.3773 0.0000 174.3296 78 G 3.9111 9.0227 111.8660 45.1153 0.0000 172.8472 79 V 4.5289 7.4903 118.9583 60.8477 34.0255 174.0495 80 E 4.5835 8.7585 128.7588 54.5391 31.5225 174.6493 81 V 4.2036 8.3640 127.2357 62.4323 32.5069 175.9721 82 R 4.4329 8.2115 128.9688 53.6473 29.7154 171.4104 83 N 4.6991 8.4296 118.4277 53.7803 39.7359 174.1769 84 V 4.6018 7.9797 120.0098 59.8740 34.4472 176.6200 85 R 3.9803 8.6298 119.5546 59.4113 30.2306 176.6606 86 Y 5.1263 7.8415 114.5910 55.7693 40.0277 176.1555 87 S 4.5225 8.7274 118.1968 57.8498 63.7864 175.2008 88 L 4.0444 8.3515 123.3997 58.4850 41.9674 178.2937 89 K 4.1570 8.4468 120.4118 57.8911 32.1819 178.3601 90 Q 4.0773 8.7830 119.7516 58.8211 28.8909 179.9719 91 L 4.1792 7.7569 119.9551 57.4158 41.7669 179.1435 92 Q 4.0793 8.4416 117.5431 58.9927 28.7367 178.2877 93 S 4.1598 8.1106 113.7938 61.2086 61.0951 175.6867 94 A 3.4030 8.0120 123.1635 55.0829 18.2675 178.5435 95 M 4.0693 8.3940 115.9302 56.9555 32.1954 177.4122 96 E 4.3216 9.0232 119.3640 59.3552 30.6263 178.1186 97 Q 3.8775 7.9345 117.4398 58.9029 28.4622 179.7446 98 L 3.5415 7.0399 118.5625 57.5238 42.1129 178.7231 99 D 5.0282 7.9874 116.6958 57.6788 41.0630 177.4457 100 A 4.3577 10.6000 122.0984 52.8902 18.2918 178.4330 101 G 3.6067 7.5212 108.2561 46.0757 0.0000 173.5142 102 A 4.3243 8.1529 123.3240 51.8784 19.0206 178.3168 *115 G 3.6920 8.1745 108.5626 45.3414 0.0000 170.5426 116 V 4.2651 7.3421 120.1499 60.7855 32.3234 174.1658 117 Q 4.2214 8.2933 126.9150 57.0687 29.4401 177.5202 118 S 4.9072 7.3306 110.1726 58.5597 66.3466 175.6702 119 W 5.9659 7.7686 115.3373 55.4103 31.3509 173.7570 120 Y 4.7555 7.8510 114.8396 56.0919 39.9837 173.7614 121 V 4.0748 8.7695 122.1882 63.7071 33.3185 175.8025 122 D 4.6358 8.7483 122.9786 52.3673 41.9496 173.5442 123 P 4.1928 0.0000 0.0000 65.2094 31.6722 178.5376 124 R 2.5100 7.6426 118.5195 58.5604 29.8928 177.0900 125 S 4.2656 7.6301 108.3510 57.2193 63.8969 173.1092 126 N 4.0201 7.4412 117.8825 53.7817 37.2925 172.9731 127 A 4.7545 6.9180 117.5953 50.9992 23.1454 177.6574 128 V 3.9325 9.2189 121.5683 63.1185 33.6162 175.7056 129 V 4.3962 8.3498 124.2651 60.6677 33.0595 174.1141 130 V 4.1333 8.0074 126.7653 62.8008 32.8984 174.6461 131 K 4.5292 9.9479 129.8925 54.8209 33.4804 175.5837 132 V 4.1417 8.1024 120.3813 59.9725 34.4014 175.2744 133 D 4.6546 8.1383 121.9670 53.2922 43.2590 174.8705 134 D 4.6177 8.4502 120.5037 55.5063 41.0043 177.3399 135 G 3.9388 9.1466 112.2646 45.3936 0.0000 173.2863 136 A 4.7659 7.5584 122.1984 52.1573 19.9503 179.3592 137 T 3.8869 8.1133 118.7486 68.4368 68.5349 176.0052 138 D 4.5683 8.1041 120.2651 56.0795 39.4369 177.9082 139 A 4.0772 8.1133 122.1344 55.1204 18.2349 179.2336 140 G 3.7390 8.0876 103.0270 46.6031 0.0000 176.2934 141 V 3.6232 8.0858 121.1715 65.9747 31.3640 177.7560 142 D 4.2660 8.7030 119.0969 57.4420 40.6897 178.5062 143 F 3.9656 7.6734 120.1863 62.1937 39.4750 177.0608 144 V 3.2407 8.7044 118.2397 64.7378 30.9203 178.6765 145 A 3.5079 8.2141 117.4284 54.1092 18.8889 180.3409 146 L 4.3159 8.2602 118.0178 55.5330 40.8797 178.2785 147 S 4.2664 8.8790 114.6862 57.5676 64.5879 174.8335 148 G 3.7879 7.6719 108.8233 45.1289 0.0000 172.8803 149 A 3.7133 7.1762 121.9193 52.5336 18.3582 176.3736 150 D 4.2631 8.5855 121.9920 54.7101 41.0673 177.7514 151 S 4.2892 8.8735 122.1383 61.0457 62.7402 175.3139 152 A 4.3080 8.3420 122.3302 53.5041 18.8377 177.5668 153 Q 4.7687 8.6271 114.2557 56.1550 30.4466 176.0774 154 V 4.7274 7.2541 112.2775 59.9751 35.0261 175.7598 155 R 4.2779 7.9343 116.4983 56.3491 31.8834 173.0858 156 I 4.4693 8.3548 126.8142 60.7433 37.3112 175.0055 157 E 4.7938 8.4574 125.7428 54.7778 33.4702 177.0701 158 S 4.5949 8.1448 114.8542 59.5300 63.9892 174.5634 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 V 8.05 3.92 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 0.89 0.00 0.00 0.89 0.00 0.00 5 D 7.76 4.08 0.00 2.85 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 6 P 0.00 3.69 0.00 1.96 1.84 0.00 3.66 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 7 Q 7.77 4.01 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.91 0.00 0.00 0.00 0.00 0.00 2.54 2.58 0.00 8 L 7.70 3.91 0.00 1.71 1.72 0.92 0.27 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 9 K 7.94 3.95 0.00 1.63 1.43 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.35 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.43 1.40 7.81 10 F 7.90 5.11 0.00 3.15 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 11 A 8.00 4.36 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 12 M 7.84 4.31 0.00 2.09 2.31 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.59 0.00 13 Q 8.05 4.32 0.00 2.41 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.31 0.00 0.00 0.00 0.00 0.00 2.43 2.64 0.00 14 R 7.63 4.31 0.00 2.05 2.11 0.00 3.26 0.00 0.00 3.36 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.66 0.00 15 D 8.23 4.44 0.00 2.72 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 16 L 8.36 4.49 0.00 1.91 1.68 0.94 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.05 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 18 I 7.88 3.83 1.95 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 1.22 0.89 1.00 0.00 0.00 19 F 7.52 4.47 0.00 3.01 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 20 P 0.00 4.59 0.00 1.90 1.75 0.00 2.20 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 1.28 0.00 21 T 7.87 4.25 4.04 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 1.45 0.00 0.00 22 Q 8.56 4.45 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.06 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 23 L 8.78 4.34 0.00 1.79 1.87 1.05 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 24 P 0.00 4.12 0.00 2.21 2.10 0.00 3.64 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.23 0.00 25 Q 8.27 4.10 0.00 2.18 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.91 0.00 0.00 0.00 0.00 0.00 2.54 2.51 0.00 26 Y 8.51 3.78 0.00 2.90 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 27 L 8.00 3.70 0.00 1.72 1.70 0.98 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 28 Q 8.59 3.92 0.00 2.22 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 29 T 7.95 3.82 4.35 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 1.02 0.00 0.00 30 E 8.06 3.63 0.00 1.72 1.86 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 2.19 2.29 0.00 31 K 8.36 3.98 0.00 1.97 1.67 0.00 1.73 0.00 0.00 1.54 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.40 7.81 32 L 8.04 3.73 0.00 1.63 1.63 0.91 1.23 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 33 A 7.82 3.96 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 34 R 8.22 4.03 0.00 2.12 2.01 0.00 3.12 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 35 T 7.86 3.90 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 1.20 0.00 0.00 36 Q 7.94 4.40 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.51 0.00 37 A 7.75 3.96 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 38 A 7.98 3.82 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 A 7.81 3.85 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 40 I 8.38 3.83 2.22 0.00 0.00 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 1.83 1.00 1.27 0.00 0.00 41 E 8.12 3.26 0.00 1.84 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.33 0.00 42 R 7.83 3.83 0.00 1.79 1.93 0.00 3.12 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 43 E 7.58 3.76 0.00 1.63 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 1.47 1.91 0.00 44 F 7.33 4.33 0.00 3.43 3.31 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 45 G 9.48 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 46 A 9.15 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 47 Q 8.38 4.20 0.00 2.22 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.68 0.00 0.00 0.00 0.00 0.00 2.48 2.53 0.00 48 F 7.93 4.22 0.00 3.32 3.24 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 49 A 8.01 4.57 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 50 G 5.38 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 51 S 8.48 4.71 0.00 3.87 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 52 W 8.24 5.38 0.00 3.38 3.30 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 53 I 8.58 4.94 2.13 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 1.32 0.62 1.22 0.00 0.00 54 E 9.44 4.83 0.00 1.99 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 2.56 2.65 0.00 55 R 8.31 4.84 0.00 1.53 1.51 0.00 2.92 0.00 0.00 2.75 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 1.53 0.00 56 N 9.99 4.56 0.00 2.82 2.65 0.00 0.00 6.37 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.58 3.82 0.00 1.95 1.97 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 2.30 2.34 0.00 58 D 7.96 4.70 0.00 2.88 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 59 G 7.74 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 0.00 0.00 0.00 60 S 7.66 4.25 0.00 3.92 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 61 F 8.98 5.21 0.00 3.19 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 62 K 9.78 4.77 0.00 1.74 1.90 0.00 1.33 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.35 1.39 7.81 63 L 8.39 4.90 0.00 1.76 1.69 0.89 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 64 V 9.07 4.50 0.88 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 0.51 0.00 0.00 0.95 0.00 0.00 65 A 8.57 5.17 1.05 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 0.00 0.00 66 A 8.38 4.52 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 67 T 7.59 4.27 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 0.95 0.00 0.00 68 S 8.51 4.83 0.00 4.10 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 69 G 9.48 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 0.00 0.00 0.00 70 A 8.71 4.91 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 71 R 7.38 4.33 0.00 2.33 2.18 0.00 3.28 0.00 0.00 3.45 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.79 0.00 72 K 8.85 4.13 0.00 1.90 2.03 0.00 1.16 0.00 0.00 1.46 0.00 0.00 3.06 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.43 1.37 7.81 73 S 7.41 4.85 0.00 3.94 3.87 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 74 S 8.14 4.57 0.00 4.02 3.87 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 75 T 8.45 4.43 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 76 L 7.70 4.31 0.00 1.72 1.65 1.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 77 G 8.48 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 G 9.02 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 79 V 7.49 4.53 2.13 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 0.82 0.00 0.00 0.95 0.00 0.00 80 E 8.76 4.58 0.00 2.06 1.71 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 2.19 2.22 0.00 81 V 8.36 4.20 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 0.80 0.00 0.00 1.04 0.00 0.00 82 R 8.21 4.43 0.00 1.90 1.70 0.00 3.30 0.00 0.00 3.21 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.71 0.00 83 N 8.43 4.70 0.00 2.69 2.82 0.00 0.00 6.91 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 84 V 7.98 4.60 2.06 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 1.02 0.00 0.00 1.01 0.00 0.00 85 R 8.63 3.98 0.00 1.54 1.74 0.00 3.11 0.00 0.00 3.05 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.00 0.00 86 Y 7.84 5.13 0.00 2.94 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 S 8.73 4.52 0.00 4.13 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 88 L 8.35 4.04 0.00 1.57 1.99 1.06 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 89 K 8.45 4.16 0.00 1.98 1.71 0.00 1.74 0.00 0.00 1.88 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.62 7.81 90 Q 8.78 4.08 0.00 2.07 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.54 0.00 0.00 0.00 0.00 0.00 2.33 2.46 0.00 91 L 7.76 4.18 0.00 1.74 1.77 1.01 1.04 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 92 Q 8.44 4.08 0.00 2.17 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.97 0.00 0.00 0.00 0.00 0.00 2.64 2.58 0.00 93 S 8.11 4.16 0.00 3.88 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 94 A 8.01 3.40 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 M 8.39 4.07 0.00 2.27 2.25 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.74 0.00 96 E 9.02 4.32 0.00 2.13 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 2.31 2.40 0.00 97 Q 7.93 3.88 0.00 1.98 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.88 0.00 0.00 0.00 0.00 0.00 2.42 2.59 0.00 98 L 7.04 3.54 0.00 1.55 1.11 0.85 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 99 D 7.99 5.03 0.00 3.04 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 0.00 100 A 10.60 4.36 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 0.00 101 G 7.52 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 0.00 102 A 8.15 4.32 1.63 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 0.00 0.00 *115 G 8.17 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 V 7.34 4.27 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 0.51 0.00 0.00 0.65 0.00 0.00 117 Q 8.29 4.22 0.00 2.26 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.77 0.00 0.00 0.00 0.00 0.00 2.42 2.37 0.00 118 S 7.33 4.91 0.00 3.86 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 0.00 119 W 7.77 5.97 0.00 3.25 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 0.00 120 Y 7.85 4.76 0.00 2.99 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 0.00 121 V 8.77 4.07 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 0.83 0.00 0.00 1.06 0.00 0.00 122 D 8.75 4.64 0.00 3.07 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 0.00 123 P 0.00 4.19 0.00 2.30 2.26 0.00 3.82 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 1.91 2.05 0.00 124 R 7.64 2.51 0.00 1.50 1.61 0.00 2.98 0.00 0.00 3.10 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.50 0.00 125 S 7.63 4.27 0.00 3.94 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 0.00 126 N 7.44 4.02 0.00 2.80 2.76 0.00 0.00 6.87 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 0.00 127 A 6.92 4.75 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 0.00 128 V 9.22 3.93 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 0.98 0.00 0.00 0.99 0.00 0.00 129 V 8.35 4.40 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 0.41 0.00 0.00 0.87 0.00 0.00 130 V 8.01 4.13 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 0.84 0.00 0.00 1.04 0.00 0.00 131 K 9.95 4.53 0.00 1.71 1.72 0.00 1.85 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.48 7.81 132 V 8.10 4.14 2.32 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 0.68 0.00 0.00 0.97 0.00 0.00 133 D 8.14 4.65 0.00 2.74 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 0.00 134 D 8.45 4.62 0.00 2.69 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 0.00 135 G 9.15 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 0.00 0.00 0.00 136 A 7.56 4.77 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 0.00 137 T 8.11 3.89 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 0.00 138 D 8.10 4.57 0.00 2.87 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 0.00 139 A 8.11 4.08 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 0.00 140 G 8.09 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 0.00 141 V 8.09 3.62 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 1.01 0.00 0.00 1.03 0.00 0.00 142 D 8.70 4.27 0.00 2.73 2.69 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 0.00 0.00 0.00 0.00 143 F 7.67 3.97 0.00 2.90 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 0.00 144 V 8.70 3.24 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 0.83 0.00 0.00 0.91 0.00 0.00 145 A 8.21 3.51 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 0.00 146 L 8.26 4.32 0.00 1.71 1.72 0.85 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 147 S 8.88 4.27 0.00 3.49 3.60 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 0.00 148 G 7.67 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 0.00 0.00 0.00 149 A 7.18 3.71 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 0.00 150 D 8.59 4.26 0.00 2.62 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 0.00 151 S 8.87 4.29 0.00 3.99 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 0.00 152 A 8.34 4.31 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 0.00 153 Q 8.63 4.77 0.00 1.99 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.50 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 154 V 7.25 4.73 2.06 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 0.97 0.00 0.00 1.00 0.00 0.00 155 R 7.93 4.28 0.00 1.94 1.70 0.00 3.13 0.00 0.00 3.30 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 156 I 8.35 4.47 1.87 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 1.36 0.65 0.91 0.00 0.00 157 E 8.46 4.79 0.00 1.91 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 2.21 2.22 0.00 158 S 8.14 4.59 0.00 3.81 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 * Residues marked with a * may have inaccurate shift predictions.