NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4291 8.4345 117.0945 58.4058 63.5849 173.8450 *3 H 4.6514 7.6341 123.9818 51.5933 29.1910 171.8368 *5 K 4.3524 8.6578 128.0124 56.8134 35.5532 177.0026 6 H 4.0482 8.0007 115.2636 59.2669 28.6198 177.6617 7 T 3.8758 7.8716 116.9107 66.7957 68.2690 176.3354 8 E 3.9528 8.0317 119.8901 59.1707 29.6320 179.0876 9 L 3.8466 7.7957 119.0032 57.9832 41.7589 179.7123 10 R 3.9045 7.9989 117.5163 59.2185 29.9892 179.0852 11 A 3.8966 8.0278 120.2218 55.1819 17.8995 179.4504 12 A 3.9117 8.3656 119.7030 55.3045 18.4668 179.9738 13 V 3.6257 7.5641 116.1180 65.7928 31.6936 178.3590 14 L 3.9682 8.4178 119.1928 57.6249 41.0268 178.9262 15 D 4.1889 8.6626 118.9890 57.5030 40.6149 178.6587 16 A 4.0367 7.3731 118.9462 55.4049 18.6569 179.4216 17 L 4.1818 7.8531 116.8373 57.5494 41.5092 178.9459 18 E 4.1209 7.7804 117.2033 57.3013 29.6713 177.7513 19 K 4.5249 7.5270 118.6520 57.6974 33.0746 177.0988 *20 H 4.9000 7.4172 114.8144 54.2846 29.1219 178.4129 21 D 4.9780 7.9149 119.3209 54.3867 40.1329 176.2071 22 T 4.6363 9.6645 108.2585 60.7736 70.2609 172.8917 23 G 3.7323 7.4383 116.9913 45.2718 0.0000 171.0392 24 A 4.5867 7.5169 126.7919 51.3824 23.3097 175.0384 25 T 4.5963 8.2500 114.1885 62.1361 71.2009 173.9545 26 F 5.3743 9.1358 125.2146 56.2390 41.1614 175.3531 27 F 4.7869 9.4515 120.4576 55.7927 42.5806 173.9468 28 D 4.7256 8.8421 123.1505 56.4469 41.3346 175.9456 29 G 4.1009 9.0741 112.8084 44.5753 0.0000 171.6306 30 R 3.9371 7.7790 120.1170 54.4140 31.1271 176.1411 31 P 4.3274 0.0000 0.0000 62.5467 31.4905 174.2351 32 A 4.3489 7.5085 118.9955 53.5565 24.4717 178.1941 33 V 4.4121 6.8158 111.0933 59.3241 34.5529 176.8516 34 F 4.7245 8.2992 115.5528 58.8038 42.7624 174.2360 35 D 4.9661 9.9109 125.4482 51.9644 41.2795 178.9955 36 E 4.2682 9.1768 119.2052 58.8610 29.6360 177.8420 37 A 4.1511 7.9194 119.2546 53.5093 18.9688 178.1563 38 D 4.5456 8.3526 115.8509 56.5411 41.0516 177.4933 39 F 4.3806 6.8080 117.1823 56.7058 39.8875 173.7490 40 P 4.5340 0.0000 0.0000 62.5313 32.4356 174.6943 41 A 4.9197 8.3165 126.3871 50.3341 21.0575 175.6390 42 V 5.0513 8.5545 122.3856 60.9767 34.1044 174.2803 43 A 5.5889 9.2727 129.1784 50.2221 22.6787 174.8946 44 V 5.0550 9.0161 119.9787 60.2758 34.6640 174.1694 45 Y 5.2414 7.9653 124.1512 56.3458 41.4650 172.9898 46 L 5.4800 8.6678 119.1944 53.3418 44.7220 176.2574 47 T 4.6533 8.4280 110.6648 60.4473 72.7519 173.8805 48 G 4.1649 9.0829 109.1241 46.4287 0.0000 173.3188 49 A 4.7979 8.3005 121.6109 51.8245 18.9804 177.8062 50 E 4.5767 9.5599 120.4383 54.4254 33.4625 174.4184 51 Y 2.4154 6.9475 122.9638 57.7967 38.9183 175.4466 52 T 4.0799 7.7259 117.8679 60.4603 69.6315 173.8421 53 G 3.9249 6.1099 111.8248 45.8484 0.0000 175.9688 54 E 4.3201 8.0793 119.5877 58.5707 31.0948 180.2987 55 E 4.1179 8.2124 115.4114 58.6660 29.7656 179.9659 56 L 4.4723 7.6694 119.6507 54.3099 43.2611 177.8487 57 D 4.8855 8.2023 119.3857 51.6118 38.7552 172.8111 58 S 4.7989 8.6487 118.9666 55.9762 67.3415 174.1523 59 D 5.2569 8.6344 119.7579 54.9194 41.4958 176.4815 60 T 4.5784 7.7764 108.5840 60.9591 70.8953 173.4312 61 W 4.9292 9.4065 124.1040 54.8804 33.3415 174.1264 62 Q 5.1299 8.8508 121.6685 54.7872 32.3056 173.7437 63 A 5.0843 9.2088 125.5109 51.2625 24.1007 174.2644 64 E 4.8925 9.1221 120.4336 54.6312 31.7619 174.3966 65 L 4.7197 9.1706 130.3968 54.4113 43.5203 175.0019 66 H 5.3006 8.7561 123.4921 54.5183 32.1529 174.5810 67 I 4.7077 8.2993 121.5780 60.6303 40.5952 172.8811 68 E 4.9135 9.3863 129.2036 54.1299 32.1445 174.7005 69 V 4.5553 8.1512 127.2545 62.1811 33.2635 174.6964 70 F 5.3299 9.7736 127.0048 56.0865 42.2193 174.3837 71 L 4.8160 9.0234 120.1835 52.5991 47.0058 173.3386 72 P 4.0081 0.0000 0.0000 62.5694 32.1271 176.2139 73 A 4.1535 8.1410 128.1683 53.9981 19.0227 178.5090 74 Q 3.7117 8.7661 115.3718 55.0594 25.9779 174.7407 75 V 4.0743 6.9867 116.9237 60.8605 32.6807 174.5486 76 P 4.3067 0.0000 0.0000 62.3945 32.1493 176.8563 77 A 3.9649 8.8171 122.8925 56.0601 18.0670 180.3326 78 S 4.1631 8.1126 112.5953 61.6117 62.9254 176.6797 79 E 4.0733 8.5385 121.8392 59.2701 28.9755 179.2375 80 L 4.0826 7.9035 117.2874 58.1051 41.9616 178.6005 81 D 4.8634 8.5393 118.5094 56.8956 40.6429 178.6012 82 A 5.0339 8.6126 122.7804 54.3338 18.3271 179.6561 83 W 4.0044 8.1180 124.5682 57.9399 30.8058 177.4266 *85 E 4.3941 8.2382 116.6250 55.0310 30.9523 176.9898 86 S 4.4875 7.6344 111.6487 58.4265 64.6215 174.9493 87 R 4.3631 7.7612 116.7111 55.5518 31.1479 175.0908 88 I 4.4589 6.7809 115.8723 61.7098 40.7579 176.7746 89 Y 4.2594 8.2553 123.4455 60.7047 39.2489 176.3718 90 P 4.3280 0.0000 0.0000 65.7612 31.8656 179.7736 91 V 3.6966 7.5762 122.0430 63.1132 30.0788 177.9755 *93 S 4.4288 8.0496 117.3054 58.4448 64.7546 177.0302 94 D 4.7474 7.7210 115.9546 51.3737 41.0046 179.7639 95 I 4.4000 7.4000 123.3887 57.9201 38.8601 173.4900 96 P 4.1833 0.0000 0.0000 65.3239 31.1966 177.9511 97 A 3.9366 7.9525 117.9547 55.2806 18.4930 178.9834 98 L 4.0813 7.8906 120.5720 58.8266 42.2838 179.6817 99 S 4.1767 7.9987 118.6776 63.4056 62.0277 177.9756 100 D 4.7409 8.2318 120.6147 55.9364 40.6442 177.5656 101 L 4.5835 7.6618 118.2466 53.6425 42.7242 175.7802 102 I 4.8444 6.8534 111.0562 59.0460 40.6400 175.2038 103 T 4.4123 8.5931 111.3804 64.1145 70.0184 174.2558 104 S 4.5772 7.6100 114.8341 57.5060 66.8229 173.9722 *106 V 4.2783 8.2038 117.6614 61.5116 32.5625 175.1884 107 A 3.3877 8.7181 124.5561 52.7228 18.6032 175.0488 108 S 4.4025 8.8823 110.8893 58.5220 64.3088 175.9188 109 G 4.2010 8.2084 104.6285 45.3303 0.0000 170.0647 110 Y 4.9439 8.3937 119.9812 56.4828 40.7603 172.8582 111 D 4.9145 8.5608 126.2900 52.4511 43.9493 175.1984 112 Y 4.6947 8.5724 120.2896 57.0045 39.0115 175.1479 113 R 4.8495 9.0818 125.7254 55.0992 34.2020 175.4669 114 R 4.4934 8.1585 119.4030 55.0774 34.2056 173.8049 115 D 3.7285 7.3755 118.7120 54.7976 40.7663 176.5440 116 D 4.3362 8.8959 128.3571 56.9895 39.4435 174.2479 117 D 4.2599 7.5889 116.1037 55.6635 40.1348 177.8428 118 A 4.8154 8.2105 121.8811 49.9291 23.0411 176.8109 119 G 3.8442 8.2857 108.0286 45.5020 0.0000 174.7775 120 L 4.3876 7.8704 121.9797 56.6913 43.2157 178.5147 121 W 5.5641 7.5472 112.2953 54.6551 31.7876 174.1738 122 S 4.9633 9.6033 114.4426 56.9955 65.7118 172.6893 123 S 5.0266 9.2532 119.3306 57.3071 67.3394 172.5165 124 A 4.5560 8.3291 120.5803 50.1182 21.7846 174.5647 125 D 4.7402 8.9955 123.8483 52.8147 43.2654 174.8295 126 L 5.0318 8.4352 129.4848 53.9148 43.7221 175.2141 127 T 5.2488 8.6404 116.2492 60.1385 72.2534 172.5022 128 Y 5.0145 8.8784 120.5297 56.2769 42.1038 174.4898 129 V 4.7306 8.9162 124.2779 61.8602 32.6615 175.1573 130 I 5.1694 9.0552 121.3804 59.3224 41.2395 174.3640 131 T 5.2601 8.4946 113.2262 60.4799 72.1702 172.1878 132 Y 5.0087 7.8646 120.2672 56.9476 42.0646 173.9788 133 E 4.4694 8.9785 116.7372 56.5284 29.9015 175.7594 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 2 S 8.43 4.43 0.00 3.65 3.76 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 *3 H 7.63 4.65 0.00 2.94 2.84 0.00 7.20 0.00 0.00 0.00 0.00 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *5 K 8.66 4.35 0.00 1.80 1.75 0.00 1.50 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.49 1.26 7.81 6 H 8.00 4.05 0.00 3.14 3.25 0.00 5.70 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 T 7.87 3.88 4.20 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 1.18 0.00 0.00 8 E 8.03 3.95 0.00 2.08 1.95 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 2.36 2.35 0.00 9 L 7.80 3.85 0.00 1.73 1.56 0.29 0.80 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 10 R 8.00 3.90 0.00 1.86 2.00 0.00 3.41 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 11 A 8.03 3.90 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 A 8.37 3.91 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 13 V 7.56 3.63 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 1.01 0.00 0.00 0.87 0.00 0.00 14 L 8.42 3.97 0.00 1.60 1.53 0.95 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.66 4.19 0.00 2.57 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 16 A 7.37 4.04 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 0.00 0.00 17 L 7.85 4.18 0.00 2.14 1.85 1.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 18 E 7.78 4.12 0.00 1.68 1.76 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 1.47 1.47 0.00 19 K 7.53 4.52 0.00 1.93 1.87 0.00 1.52 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.42 7.81 *20 H 7.42 4.90 0.00 3.05 2.92 0.00 7.20 0.00 0.00 0.00 0.00 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 D 7.91 4.98 0.00 3.14 2.99 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 22 T 9.66 4.64 4.33 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 1.21 0.00 0.00 23 G 7.44 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 0.00 0.00 0.00 24 A 7.52 4.59 1.11 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 0.00 0.00 25 T 8.25 4.60 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 1.29 0.00 0.00 26 F 9.14 5.37 0.00 2.89 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 27 F 9.45 4.79 0.00 2.93 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 28 D 8.84 4.73 0.00 2.69 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 29 G 9.07 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 0.00 0.00 0.00 30 R 7.78 3.94 0.00 0.67 1.22 0.00 2.73 0.00 0.00 3.03 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.16 0.00 31 P 0.00 4.33 0.00 0.97 1.22 0.00 3.42 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.70 0.00 32 A 7.51 4.35 1.10 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 0.00 0.00 33 V 6.82 4.41 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 0.81 0.00 0.00 0.93 0.00 0.00 34 F 8.30 4.72 0.00 2.96 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 0.00 0.00 0.00 0.00 35 D 9.91 4.97 0.00 2.54 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.18 4.27 0.00 1.88 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 2.33 1.92 0.00 37 A 7.92 4.15 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 38 D 8.35 4.55 0.00 2.37 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 39 F 6.81 4.38 0.00 2.65 2.79 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 40 P 0.00 4.53 0.00 1.00 1.51 0.00 3.45 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.78 0.00 41 A 8.32 4.92 0.77 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 0.00 0.00 42 V 8.55 5.05 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.90 0.00 0.00 43 A 9.27 5.59 1.50 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 0.00 0.00 44 V 9.02 5.06 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 1.32 0.00 0.00 1.09 0.00 0.00 45 Y 7.97 5.24 0.00 3.12 2.99 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 46 L 8.67 5.48 0.00 1.54 1.62 0.66 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 47 T 8.43 4.65 4.39 0.00 0.00 0.00 0.00 0.00 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 48 G 9.08 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 0.00 0.00 0.00 0.00 49 A 8.30 4.80 1.56 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 0.00 0.00 50 E 9.56 4.58 0.00 1.85 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 0.00 2.37 2.15 0.00 51 Y 6.95 2.42 0.00 1.62 2.28 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 52 T 7.73 4.08 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 1.02 0.00 0.00 53 G 6.11 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 54 E 8.08 4.32 0.00 2.00 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 2.21 1.87 0.00 55 E 8.21 4.12 0.00 1.98 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 0.00 2.24 1.93 0.00 56 L 7.67 4.47 0.00 1.57 1.62 0.88 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 57 D 8.20 4.89 0.00 2.68 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 58 S 8.65 4.80 0.00 3.81 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 59 D 8.63 5.26 0.00 2.72 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 60 T 7.78 4.58 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 1.19 0.00 0.00 61 W 9.41 4.93 0.00 2.39 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 62 Q 8.85 5.13 0.00 2.03 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.55 0.00 0.00 0.00 0.00 0.00 2.29 2.46 0.00 63 A 9.21 5.08 1.51 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 0.00 0.00 64 E 9.12 4.89 0.00 2.12 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 2.04 2.20 0.00 65 L 9.17 4.72 0.00 1.76 1.74 0.86 0.74 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 66 H 8.76 5.30 0.00 1.65 2.82 0.00 5.69 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 8.30 4.71 1.97 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 1.16 0.62 1.04 0.00 0.00 68 E 9.39 4.91 0.00 2.23 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 1.47 1.95 0.00 69 V 8.15 4.56 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 0.83 0.00 0.00 1.15 0.00 0.00 70 F 9.77 5.33 0.00 2.34 2.64 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 0.00 0.00 0.00 71 L 9.02 4.82 0.00 1.48 1.37 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 4.01 0.00 1.81 1.65 0.00 3.31 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.04 0.00 73 A 8.14 4.15 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 74 Q 8.77 3.71 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.87 0.00 0.00 0.00 0.00 0.00 2.15 1.90 0.00 75 V 6.99 4.07 2.24 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 0.86 0.00 0.00 0.96 0.00 0.00 76 P 0.00 4.31 0.00 2.23 2.20 0.00 3.85 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 2.08 1.96 0.00 77 A 8.82 3.96 1.15 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 0.00 0.00 78 S 8.11 4.16 0.00 3.90 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 79 E 8.54 4.07 0.00 2.24 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 2.38 2.38 0.00 80 L 7.90 4.08 0.00 2.02 1.87 1.08 1.05 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 81 D 8.54 4.86 0.00 2.76 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 82 A 8.61 5.03 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 83 W 8.12 4.00 0.00 3.58 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 *85 E 8.24 4.39 0.00 2.22 2.21 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 2.47 2.30 0.00 86 S 7.63 4.49 0.00 3.85 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 87 R 7.76 4.36 0.00 1.04 1.71 0.00 3.28 0.00 0.00 3.00 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.50 0.00 88 I 6.78 4.46 2.04 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.67 1.06 0.00 0.00 89 Y 8.26 4.26 0.00 2.96 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 90 P 0.00 4.33 0.00 2.07 2.12 0.00 3.88 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 2.09 2.21 0.00 91 V 7.58 3.70 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 0.88 0.00 0.00 0.99 0.00 0.00 *93 S 8.05 4.43 0.00 3.70 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 D 7.72 4.75 0.00 2.63 2.43 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 95 I 7.40 4.40 1.78 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.72 0.87 0.00 0.00 96 P 0.00 4.18 0.00 2.13 2.07 0.00 3.58 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.12 0.00 97 A 7.95 3.94 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 98 L 7.89 4.08 0.00 1.69 1.72 0.83 0.89 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 99 S 8.00 4.18 0.00 3.80 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 0.00 100 D 8.23 4.74 0.00 2.62 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 0.00 101 L 7.66 4.58 0.00 1.76 1.66 0.90 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 102 I 6.85 4.84 2.20 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 1.55 0.70 0.91 0.00 0.00 103 T 8.59 4.41 4.27 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 1.27 0.00 0.00 104 S 7.61 4.58 0.00 3.73 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 *106 V 8.20 4.28 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 0.94 0.00 0.00 0.96 0.00 0.00 107 A 8.72 3.39 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 0.00 108 S 8.88 4.40 0.00 3.79 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 0.00 109 G 8.21 4.20 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 0.00 0.00 0.00 110 Y 8.39 4.94 0.00 2.94 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 0.00 111 D 8.56 4.91 0.00 2.55 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 0.00 112 Y 8.57 4.69 0.00 2.86 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 0.00 113 R 9.08 4.85 0.00 1.95 1.98 0.00 3.11 0.00 0.00 3.47 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 114 R 8.16 4.49 0.00 1.53 1.66 0.00 3.25 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.16 0.00 115 D 7.38 3.73 0.00 1.58 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 0.00 0.00 0.00 0.00 116 D 8.90 4.34 0.00 2.74 2.57 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 0.00 0.00 0.00 117 D 7.59 4.26 0.00 2.68 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.21 4.82 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 0.00 119 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 0.00 120 L 7.87 4.39 0.00 1.92 1.99 1.04 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 121 W 7.55 5.56 0.00 3.64 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 0.00 122 S 9.60 4.96 0.00 3.83 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 0.00 123 S 9.25 5.03 0.00 3.24 3.29 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 0.00 124 A 8.33 4.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 D 9.00 4.74 0.00 2.82 2.43 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 0.00 126 L 8.44 5.03 0.00 1.90 1.78 1.24 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 0.00 127 T 8.64 5.25 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 0.95 0.00 0.00 128 Y 8.88 5.01 0.00 2.89 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 0.00 129 V 8.92 4.73 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 0.96 0.00 0.00 130 I 9.06 5.17 2.01 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 1.51 0.92 0.97 0.00 0.00 131 T 8.49 5.26 4.23 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 1.23 0.00 0.00 132 Y 7.86 5.01 0.00 3.14 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 0.00 133 E 8.98 4.47 0.00 2.23 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 2.24 2.33 0.00 * Residues marked with a * may have inaccurate shift predictions.