NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 4.1282 8.0093 121.4475 60.3457 38.2475 175.3802 4 P 4.2538 0.0000 0.0000 62.2802 31.8208 174.7965 5 G 3.7847 8.5890 107.3607 45.9298 0.0000 175.5727 6 G 3.9254 7.5537 108.9895 44.5728 0.0000 172.6055 7 W 4.9903 8.5485 119.0659 55.9047 31.1506 176.2628 8 T 4.6557 9.0934 119.9295 61.3650 71.0652 173.5858 9 R 4.4046 8.9304 127.2576 57.1287 30.6439 175.3158 10 Q 4.8185 8.8925 124.1190 53.5633 32.6867 174.7056 11 D 4.4982 8.7130 120.0319 53.6897 41.1346 174.8575 12 P 4.5956 0.0000 0.0000 64.5332 31.8630 177.4179 13 T 4.1325 7.8662 115.8534 65.6748 68.9077 175.0122 14 E 3.9342 8.0865 121.6718 56.1636 30.1652 177.2888 15 A 3.9486 8.9102 125.9998 55.6595 18.3171 179.3879 16 R 3.6375 7.8028 116.2180 59.9300 29.9627 178.3767 17 F 4.5657 7.7242 117.0675 60.0186 38.9654 177.6762 18 L 4.0247 7.8427 119.9278 57.9558 41.8969 178.4284 19 E 4.0085 8.3734 119.3196 59.4675 29.6616 178.8063 20 L 4.0270 8.0410 118.7214 57.7438 41.5569 179.4978 21 A 4.0976 7.9974 120.6400 55.3058 18.3041 179.3742 22 H 4.1435 8.3957 114.7809 58.9653 28.6178 177.5347 23 F 4.1315 8.3553 121.1109 61.4830 38.9509 176.8061 24 A 3.8420 8.2352 120.0808 55.4410 18.3683 179.8242 25 T 3.7491 8.1359 114.6677 66.5408 68.3680 176.8817 26 S 3.9436 7.5892 114.1750 60.1314 63.1522 175.8983 27 S 4.3566 7.1162 117.1983 59.4235 63.4192 174.5890 28 Q 4.1039 7.1564 121.0843 54.6505 26.8970 175.0508 29 T 4.3095 7.7304 110.9348 60.9842 70.7909 175.2716 30 E 3.8802 8.0964 123.5958 57.3996 30.1029 176.0652 31 G 4.0809 8.6587 113.1443 46.6266 0.0000 173.1513 32 R 4.6401 7.6338 115.5072 53.9075 34.0533 175.5816 33 E 3.9167 8.7402 121.9831 57.8454 30.1733 176.0348 34 F 5.2776 7.6530 114.9831 55.1613 42.6423 175.0799 35 Y 4.3180 8.7274 119.7208 58.7197 38.8840 175.8759 36 D 5.1409 8.8618 122.6332 54.4386 43.1320 174.8885 37 T 4.9782 9.0438 115.0501 60.5149 71.9615 172.2312 38 V 4.3018 8.4339 123.3788 62.1088 31.7759 175.4093 39 V 4.0422 8.9717 129.0029 65.3651 32.3062 175.9846 40 T 4.6373 7.5523 113.0985 60.7094 70.9932 172.4066 41 V 4.3432 8.3295 128.0166 61.9922 31.4673 175.6026 42 K 4.2465 9.1852 129.4779 59.1704 33.0143 177.5964 43 E 4.6741 7.5932 117.3606 55.1833 33.1932 174.5269 44 V 4.7801 8.1127 125.3742 61.1482 35.1395 173.6908 45 E 5.3796 9.0813 126.3626 54.7575 33.5086 174.9072 46 T 5.3450 9.1555 112.9695 60.1033 72.6371 172.5969 47 Q 4.4747 8.4482 122.9968 54.2483 32.5588 173.8470 48 V 4.2593 8.1993 126.4268 62.1243 31.8841 174.8385 49 V 4.3631 8.3311 124.6343 61.1721 33.2697 177.9576 50 A 4.5114 8.6272 123.1061 50.4736 17.7685 175.3110 51 G 3.5925 7.4549 110.3141 43.6340 0.0000 170.6702 52 M 5.0040 8.3561 120.2054 53.7709 36.7313 174.0945 53 N 5.4626 8.9900 121.3037 52.0258 41.1509 173.4438 54 Y 5.2250 9.0793 121.3147 56.1115 40.9445 174.4951 55 K 4.9075 9.3371 126.2725 54.7001 34.6653 174.5185 56 L 5.0486 9.0232 128.5751 53.2898 44.4865 175.7390 57 T 4.7245 8.9688 121.9540 62.3155 69.9776 174.0603 58 I 5.0091 8.7261 127.4718 59.4453 41.6648 174.3096 59 E 5.1062 9.2406 125.9989 54.9829 31.3310 175.3584 60 I 5.1020 8.7753 117.8607 59.5330 41.5163 174.2206 61 S 4.9441 8.6793 115.5883 56.2925 66.3686 171.7833 62 P 5.0197 0.0000 0.0000 62.6858 32.2185 176.2436 63 S 5.0548 9.0912 119.4498 57.1976 64.8212 174.5778 64 V 3.7835 8.5168 112.4972 63.2247 31.9756 176.1702 65 C 4.8229 8.4321 120.1863 55.8748 39.2794 172.6573 66 K 4.5083 8.7943 125.7724 55.1460 33.1365 176.1299 67 I 3.4310 7.6587 129.2626 62.7994 37.3446 176.7325 68 G 3.9490 8.9582 113.0513 45.3188 0.0000 173.4228 69 E 4.4021 7.9968 119.0427 57.1514 30.8128 175.9938 70 V 4.6453 7.3497 108.3683 59.4114 35.8111 174.8806 71 Q 4.3749 8.3977 120.1396 55.4735 29.4947 175.5669 72 Y 3.8202 8.0855 122.3410 57.2238 39.6898 175.0950 73 S 4.4756 7.3041 119.4600 56.0988 66.2349 174.6213 74 A 3.6902 8.5143 125.3468 55.4040 18.3143 179.0273 75 E 4.0762 7.9103 114.2023 59.2461 29.9177 178.0893 76 Q 4.1122 7.5423 116.6222 58.1968 29.7284 176.3789 77 C 4.5371 7.4531 116.7195 55.6783 40.1305 173.7602 78 V 4.0078 7.1017 115.3834 59.9867 32.6328 174.7550 79 P 4.8159 0.0000 0.0000 62.6027 31.8790 177.1107 80 K 3.9389 8.5748 122.1817 59.1176 32.2409 177.2123 81 D 4.4117 7.6732 119.8918 52.3920 42.0332 175.0912 82 A 4.2103 8.5028 129.2956 53.9232 18.5971 177.9684 83 Q 4.1171 8.0304 113.6371 56.4378 29.2458 175.8141 84 Q 4.3408 7.7610 119.7086 54.6627 28.3481 174.4165 85 K 5.0461 8.3071 123.9183 54.6343 35.8666 176.0896 86 S 4.7504 8.8804 118.5623 57.1044 67.2446 173.1202 87 T 4.8873 8.4459 120.2855 62.9762 69.9359 174.5020 88 C 5.2463 9.2693 123.3171 55.0018 45.2805 173.0230 89 V 4.7197 8.5807 121.6073 61.0343 33.7049 174.0361 90 A 4.9809 8.6259 129.7358 49.9801 21.9258 174.9241 91 V 4.9614 8.7927 122.0875 61.1444 34.4371 174.2332 92 I 5.1376 9.1219 128.9746 59.8148 40.0001 173.8499 93 Y 5.1429 9.3138 129.1058 56.8389 40.5779 173.6430 94 H 5.0356 8.4236 125.6074 54.5304 33.6791 172.0976 95 V 3.4087 8.3523 126.6049 59.9287 31.5390 174.0299 96 P 3.9127 0.0000 0.0000 64.6839 31.5007 178.5810 97 W 4.4911 7.2215 112.4043 57.8946 28.4512 176.4210 98 Q 4.4848 7.2482 117.1457 54.7657 29.1890 175.1647 99 N 4.1093 7.6734 114.2764 54.4347 36.9330 173.9433 100 Q 4.6428 7.2421 116.8257 54.4500 33.3252 174.0894 101 K 5.2175 8.5189 124.7571 55.6407 35.3152 174.5462 102 S 4.9868 9.2770 120.4663 57.2870 67.0484 173.5223 103 V 4.4614 8.4824 121.5121 63.0084 31.0141 175.8002 104 T 4.3954 9.4914 126.9150 66.4485 69.0227 175.5070 105 S 4.7405 7.9157 113.4538 57.5236 66.5886 173.4601 106 Y 4.7552 8.4515 123.0377 56.8299 40.8614 174.0264 107 R 4.6154 8.9875 126.6245 54.5872 33.8083 174.1384 108 C 5.3468 8.7559 121.6252 54.0167 41.7863 174.0037 109 E 4.2750 8.7834 125.6162 57.1826 30.0132 177.9227 *110 H 4.4521 8.3113 116.1948 54.9676 29.1235 174.4116 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 3 I 8.01 4.13 1.85 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 1.45 1.05 0.88 0.00 0.00 4 P 0.00 4.25 0.00 2.23 2.04 0.00 3.73 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 1.95 2.01 0.00 5 G 8.59 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 0.00 0.00 0.00 6 G 7.55 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 7 W 8.55 4.99 0.00 3.19 3.21 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 8 T 9.09 4.66 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 1.25 0.00 0.00 9 R 8.93 4.40 0.00 1.82 1.87 0.00 3.20 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 1.62 1.74 0.00 10 Q 8.89 4.82 0.00 1.65 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.68 0.00 0.00 0.00 0.00 0.00 2.46 2.43 0.00 11 D 8.71 4.50 0.00 2.85 2.73 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 12 P 0.00 4.60 0.00 2.42 2.14 0.00 3.87 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 13 T 7.87 4.13 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 1.24 0.00 0.00 14 E 8.09 3.93 0.00 1.75 1.48 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 2.32 2.53 0.00 15 A 8.91 3.95 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.80 3.64 0.00 1.61 1.40 0.00 3.05 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.45 0.00 17 F 7.72 4.57 0.00 3.25 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 18 L 7.84 4.02 0.00 1.81 1.88 0.95 0.93 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 19 E 8.37 4.01 0.00 2.07 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 2.30 2.37 0.00 20 L 8.04 4.03 0.00 1.78 1.75 0.18 0.27 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 21 A 8.00 4.10 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 22 H 8.40 4.14 0.00 3.50 3.54 0.00 5.64 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 F 8.36 4.13 0.00 2.97 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 24 A 8.24 3.84 1.59 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 25 T 8.14 3.75 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 1.26 0.00 0.00 26 S 7.59 3.94 0.00 3.09 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 27 S 7.12 4.36 0.00 3.69 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 28 Q 7.16 4.10 0.00 1.85 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.74 0.00 0.00 0.00 0.00 0.00 1.68 1.16 0.00 29 T 7.73 4.31 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 1.17 0.00 0.00 30 E 8.10 3.88 0.00 1.89 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 2.25 2.27 0.00 31 G 8.66 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 0.00 0.00 0.00 32 R 7.63 4.64 0.00 1.84 1.87 0.00 3.15 0.00 0.00 3.11 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 33 E 8.74 3.92 0.00 1.87 1.82 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 1.47 1.94 0.00 34 F 7.65 5.28 0.00 2.95 3.04 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 35 Y 8.73 4.32 0.00 3.22 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 36 D 8.86 5.14 0.00 2.64 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 37 T 9.04 4.98 4.54 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 1.42 0.00 0.00 38 V 8.43 4.30 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 0.79 0.00 0.00 0.83 0.00 0.00 39 V 8.97 4.04 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 0.78 0.00 0.00 0.96 0.00 0.00 40 T 7.55 4.64 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 41 V 8.33 4.34 2.27 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 0.86 0.00 0.00 0.97 0.00 0.00 42 K 9.19 4.25 0.00 1.76 1.82 0.00 1.77 0.00 0.00 1.59 0.00 0.00 2.87 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.45 1.36 7.81 43 E 7.59 4.67 0.00 1.93 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 2.15 2.20 0.00 44 V 8.11 4.78 1.59 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 0.05 0.00 0.00 0.60 0.00 0.00 45 E 9.08 5.38 0.00 1.76 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 2.28 2.17 0.00 46 T 9.16 5.34 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 1.30 0.00 0.00 47 Q 8.45 4.47 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.98 0.00 0.00 0.00 0.00 0.00 1.74 1.88 0.00 48 V 8.20 4.26 2.00 0.00 0.00 0.00 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 0.87 0.00 0.00 49 V 8.33 4.36 2.18 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 0.69 0.00 0.00 1.06 0.00 0.00 50 A 8.63 4.51 1.42 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 0.00 0.00 51 G 7.45 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 52 M 8.36 5.00 0.00 1.20 1.71 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.58 0.00 53 N 8.99 5.46 0.00 2.38 3.00 0.00 0.00 6.52 7.17 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 54 Y 9.08 5.23 0.00 2.98 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 55 K 9.34 4.91 0.00 1.32 1.18 0.00 1.12 0.00 0.00 1.16 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.93 1.09 7.81 56 L 9.02 5.05 0.00 1.51 1.50 1.00 0.57 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 57 T 8.97 4.72 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 1.13 0.00 0.00 58 I 8.73 5.01 1.81 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 1.20 0.83 0.98 0.00 0.00 59 E 9.24 5.11 0.00 1.88 1.87 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 2.25 2.22 0.00 60 I 8.78 5.10 2.04 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.02 1.01 0.00 0.00 61 S 8.68 4.94 0.00 3.93 3.71 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 62 P 0.00 5.02 0.00 2.02 1.97 0.00 3.91 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 2.10 1.96 0.00 63 S 9.09 5.05 0.00 4.05 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 64 V 8.52 3.78 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 0.67 0.00 0.00 0.94 0.00 0.00 65 C 8.43 4.82 0.00 3.26 3.35 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 66 K 8.79 4.51 0.00 1.80 1.59 0.00 1.76 0.00 0.00 1.53 0.00 0.00 2.62 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.10 0.57 7.81 67 I 7.66 3.43 1.51 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.15 0.61 0.00 0.00 68 G 8.96 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 0.00 0.00 0.00 69 E 8.00 4.40 0.00 1.89 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 0.00 2.25 2.31 0.00 70 V 7.35 4.65 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 0.85 0.00 0.00 1.13 0.00 0.00 71 Q 8.40 4.37 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.94 0.00 0.00 0.00 0.00 0.00 2.41 2.38 0.00 72 Y 8.09 3.82 0.00 1.52 2.45 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 73 S 7.30 4.48 0.00 4.15 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 74 A 8.51 3.69 0.96 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 75 E 7.91 4.08 0.00 1.87 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 2.26 2.33 0.00 76 Q 7.54 4.11 0.00 1.84 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 7.45 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 77 C 7.45 4.54 0.00 2.40 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 78 V 7.10 4.01 2.07 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 0.76 0.00 0.00 0.96 0.00 0.00 79 P 0.00 4.82 0.00 2.10 1.99 0.00 3.69 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 2.04 2.14 0.00 80 K 8.57 3.94 0.00 1.65 1.77 0.00 1.33 0.00 0.00 1.39 0.00 0.00 2.13 0.00 0.00 2.42 0.00 0.00 0.00 0.00 1.23 1.28 7.81 81 D 7.67 4.41 0.00 2.57 2.47 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 82 A 8.50 4.21 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 83 Q 8.03 4.12 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.86 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 84 Q 7.76 4.34 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.62 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 85 K 8.31 5.05 0.00 1.63 1.65 0.00 1.95 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.54 7.81 86 S 8.88 4.75 0.00 3.76 3.71 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 87 T 8.45 4.89 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 1.16 0.00 0.00 88 C 9.27 5.25 0.00 2.54 2.45 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 89 V 8.58 4.72 1.93 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 0.86 0.00 0.00 0.80 0.00 0.00 90 A 8.63 4.98 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 91 V 8.79 4.96 2.18 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 1.22 0.00 0.00 0.91 0.00 0.00 92 I 9.12 5.14 2.19 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 1.46 0.69 1.19 0.00 0.00 93 Y 9.31 5.14 0.00 3.10 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 94 H 8.42 5.04 0.00 3.35 3.23 0.00 5.61 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 V 8.35 3.41 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 -0.22 0.00 0.00 0.60 0.00 0.00 96 P 0.00 3.91 0.00 2.27 2.02 0.00 2.37 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.74 0.00 97 W 7.22 4.49 0.00 3.38 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 98 Q 7.25 4.48 0.00 1.82 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.65 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 99 N 7.67 4.11 0.00 2.79 2.79 0.00 0.00 6.56 7.84 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 0.00 100 Q 7.24 4.64 0.00 2.16 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 101 K 8.52 5.22 0.00 1.65 1.41 0.00 1.27 0.00 0.00 1.29 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.82 1.24 7.81 102 S 9.28 4.99 0.00 4.04 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 0.00 103 V 8.48 4.46 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 0.96 0.00 0.00 0.82 0.00 0.00 104 T 9.49 4.40 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 1.26 0.00 0.00 105 S 7.92 4.74 0.00 3.88 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 0.00 106 Y 8.45 4.76 0.00 2.96 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 0.00 107 R 8.99 4.62 0.00 1.68 1.75 0.00 3.09 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 108 C 8.76 5.35 0.00 2.85 3.14 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 0.00 109 E 8.78 4.28 0.00 1.93 1.87 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 2.30 2.27 0.00 *110 H 8.31 4.45 0.00 2.86 2.73 0.00 7.23 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.