NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 A 4.3429 8.2649 123.5772 51.6254 19.8411 176.3956 10 R 3.8169 8.7808 124.2113 57.6650 29.7503 176.3635 11 N 5.2091 8.9476 119.7696 51.2714 43.2795 173.0200 12 P 5.5331 0.0000 0.0000 61.8042 32.8285 175.4387 13 I 4.2191 7.8612 114.6784 59.3367 39.2659 174.9786 14 Y 4.7010 8.2193 122.4174 55.8554 40.0837 176.1361 15 F 4.2814 9.3617 124.1838 61.6785 39.3310 177.5548 16 E 3.8499 8.3302 117.4071 58.9301 29.6828 179.0123 17 S 4.2070 8.0282 115.6892 60.9605 63.1259 174.8580 18 I 3.9986 7.2451 122.2848 60.7650 37.4935 175.2479 19 Q 4.4927 9.4942 123.7176 53.5877 30.8411 175.1307 20 I 3.7840 8.1831 122.0265 63.2146 37.5537 175.5265 21 G 4.0902 8.7446 112.9435 45.5639 0.0000 174.2696 22 E 4.1440 8.0469 119.5779 56.4128 30.4476 176.1829 23 K 5.1430 8.6524 124.3281 54.6830 35.5168 174.8423 24 I 4.5220 9.1584 127.6453 59.5265 39.8162 174.0296 25 E 4.7034 8.8246 128.2653 54.4568 30.4585 175.7150 26 G 3.9198 8.7781 115.1182 45.5556 0.0000 172.3942 27 L 4.3561 8.2734 123.1731 53.4314 42.7645 175.0537 28 P 4.8431 0.0000 0.0000 63.0666 32.4095 175.8471 29 R 4.6951 8.4112 117.3394 55.2028 33.2653 174.1601 30 T 4.7653 8.4796 119.0346 62.9754 69.1063 174.9013 31 V 3.9540 8.6630 128.1272 62.0157 32.2932 175.5234 32 T 4.8365 8.8349 117.6859 59.2931 70.9819 174.1741 33 E 4.0874 8.8345 123.1655 59.8087 29.4088 178.4873 34 T 3.9484 8.0120 115.1385 66.8605 68.5004 175.8694 35 D 4.3806 8.0336 119.9490 57.5026 40.8952 178.6497 36 I 3.7658 7.9076 120.0049 64.4676 37.2185 178.6342 37 W 3.2652 8.9472 119.9241 59.6662 28.6860 178.7741 38 T 3.7975 8.1940 116.1098 66.5670 67.9263 176.4674 39 F 3.8911 8.2560 122.3061 61.0754 39.3816 177.0096 40 A 3.6415 7.8247 120.5324 55.0402 17.9507 179.1206 41 Y 4.3981 8.0237 115.4885 61.3800 37.8193 178.4443 42 L 3.9453 7.8972 120.1861 58.0923 42.2268 178.2890 43 T 4.1115 7.4588 105.7204 60.3076 69.2445 174.1088 44 A 3.8455 7.5895 123.0802 53.4689 16.8231 176.9663 45 D 4.7576 7.6963 119.0160 54.3883 42.3291 176.5148 46 F 4.2426 8.4260 130.2512 55.7351 38.0895 176.4556 47 F 4.0071 8.1032 123.4526 57.3000 40.2603 173.7666 48 P 3.8571 0.0000 0.0000 65.6251 30.6324 178.0957 49 L 4.1850 7.1108 119.9332 57.5070 42.3369 177.8416 50 H 4.6993 8.2761 115.1861 56.7544 29.6077 175.8171 51 T 4.4224 7.6453 106.1485 60.7885 69.3001 173.2298 52 D 4.7642 8.2504 122.0900 52.0227 41.9091 175.8877 53 V 3.7483 8.7365 126.6214 66.2641 31.2192 177.3880 54 E 4.0688 8.2738 116.3914 59.3070 29.7391 178.6453 55 F 4.1650 8.9566 120.6675 61.3315 39.4999 176.8516 56 A 4.2590 8.4329 120.3999 55.4341 17.8841 179.5832 57 K 4.4238 7.5321 116.1898 58.7152 32.1949 178.0833 58 K 4.2155 7.6651 115.7913 56.6080 32.1827 176.5592 59 T 4.4029 7.5929 111.0274 59.6833 70.6190 175.3639 60 I 3.7167 8.0364 120.6875 62.8291 37.9925 176.1497 61 F 4.6834 8.0105 117.2585 57.7439 40.1323 176.5761 62 G 4.4049 8.5014 113.5704 45.2218 0.0000 173.6413 63 K 5.0207 7.8271 116.5416 53.1378 34.9556 173.9224 64 P 4.8090 0.0000 0.0000 62.6916 32.1384 175.2656 65 I 4.7237 7.5500 112.1453 58.6195 40.6528 174.9191 66 A 4.1120 8.4360 125.0212 51.8231 19.1992 177.5903 67 Q 3.5994 8.1038 118.6660 54.5731 30.4627 179.0418 68 G 2.8944 7.8360 111.6617 45.2254 0.0000 175.4747 *70 L 3.2396 8.1559 122.2901 54.2806 43.8537 178.7685 71 V 3.5035 7.3486 117.6215 65.7702 31.1921 177.7626 72 L 3.9446 8.0285 120.1049 58.1671 41.9609 179.1020 73 S 4.0904 7.8701 114.5350 61.8260 62.6693 176.6294 74 I 3.6641 7.8304 121.1742 64.1163 36.8207 178.1898 75 A 4.0768 7.8001 120.7705 55.2914 18.6171 179.2363 76 L 4.0042 8.1502 117.6992 57.6985 41.5962 180.6124 77 G 3.7308 7.9545 102.4883 45.4098 0.0000 175.3293 *79 V 3.9850 7.7401 122.4078 62.5556 33.4300 177.1335 80 D 4.2479 8.0764 118.6163 57.0691 40.7647 177.8142 81 Q 3.9985 7.9983 120.4109 59.1418 28.7378 178.6659 82 V 3.5926 7.3151 118.3609 65.9387 31.9033 177.8487 83 I 4.0471 7.6834 119.0755 64.5261 36.8650 178.0499 84 L 4.0671 8.2698 119.1154 57.2577 41.4856 178.2831 85 S 4.6494 7.4867 110.5772 58.1721 63.2187 173.9948 86 N 4.8241 8.0018 116.5151 53.0734 40.3754 173.7625 87 Y 5.0479 7.6411 114.2500 56.1557 42.8841 174.4167 88 D 4.5397 9.5136 122.5546 53.3515 42.1996 176.5947 89 V 3.9450 8.3012 119.7311 61.5769 31.5420 178.6247 90 S 4.2237 8.2019 117.6005 60.8320 62.9691 175.4971 91 S 4.1437 7.8179 114.8719 59.5993 63.3153 173.5203 92 V 4.0098 7.3360 121.6479 62.4480 30.2446 175.9945 93 I 4.0495 8.6229 128.9007 63.8754 37.3707 176.2652 94 A 4.6385 7.7122 121.0209 50.7741 22.9088 174.8416 95 F 4.8358 8.7813 122.2576 57.5193 39.2004 175.4483 96 F 4.0708 9.7155 129.9185 59.4825 39.5030 175.4088 97 G 3.9150 7.5093 99.7527 46.0602 0.0000 171.0803 98 I 5.0648 8.2317 119.9139 59.4465 38.9665 176.0283 99 K 4.2161 9.1713 130.1567 59.1443 32.9384 176.7369 100 D 4.6472 7.7312 117.0359 53.1428 44.6874 174.4689 101 V 4.6619 8.2512 124.4705 61.2449 34.7069 174.2804 102 R 4.3331 8.7812 126.8811 54.3495 33.2058 174.8572 103 F 4.4626 8.5496 123.3903 56.6916 38.6875 175.9549 104 L 4.2861 8.8702 124.3378 56.9000 41.7679 177.6765 105 R 4.7557 7.7011 116.5017 53.4248 33.1925 172.8001 106 P 4.3423 0.0000 0.0000 62.5112 32.7711 175.3790 107 V 4.3051 7.7671 121.0919 61.3827 33.5047 174.9811 108 F 4.9510 9.4707 127.2122 56.1628 40.4936 177.0995 109 I 3.7247 8.9235 121.4278 63.9814 36.9557 177.2247 110 G 4.0842 7.9754 106.1036 45.0486 0.0000 173.1506 111 D 4.8483 8.3449 120.8454 54.0638 42.0222 175.6596 112 T 4.9694 8.5256 118.0327 62.0160 70.9534 173.2553 113 I 4.6892 8.2985 120.1831 59.5085 40.4842 174.6939 114 A 4.9660 9.0903 124.9583 50.2853 22.4602 174.9153 115 A 5.4187 8.6667 123.0520 50.2076 22.7231 175.2657 116 S 5.1473 9.2290 113.5823 56.6609 67.0959 172.7715 117 A 5.3822 9.0880 123.1751 50.2521 22.2216 174.5642 118 E 5.0788 9.1240 122.3685 54.0468 33.3850 174.9822 119 V 3.7194 8.7665 127.4491 63.1625 32.0123 176.3899 120 V 4.3290 8.4128 120.3687 61.1866 33.7881 175.2437 121 E 4.7290 7.5727 119.7616 55.1707 32.9848 173.7734 122 K 5.2478 8.3617 122.8938 55.2260 36.5475 175.7580 123 Q 4.6488 9.1842 122.5069 54.1707 33.2182 174.1353 124 D 4.4479 9.0631 123.6145 54.8841 41.7333 174.6617 125 F 4.6214 8.5806 123.2643 59.2172 41.4153 174.2354 126 D 4.5173 7.9299 117.4635 52.2704 41.8190 175.1319 127 E 4.1989 8.7216 115.9612 58.2713 29.8687 177.2798 128 K 4.5144 8.3080 118.3971 56.1706 33.7793 175.0949 129 S 4.8656 7.6380 111.5494 57.7564 66.7485 174.0863 130 G 2.9757 8.1440 106.4806 44.2180 0.0000 171.6827 131 V 4.6528 8.1056 114.0291 59.4487 33.9630 175.2463 132 V 4.7450 8.6821 125.0334 61.4375 34.0199 174.2363 133 T 4.9948 8.7055 124.2472 61.9963 71.1845 172.9319 134 Y 4.9218 9.1889 123.9961 55.9130 41.6275 174.4505 135 K 4.8736 9.2352 124.7937 54.9061 34.1698 174.5968 136 L 5.2007 9.6424 131.2700 53.8123 44.2517 174.8919 137 E 5.0864 9.3933 125.0722 54.5753 33.6528 174.5678 138 V 4.8267 8.8896 124.3788 61.0528 34.1808 174.3748 139 K 5.2404 9.3160 127.4268 54.6902 36.0017 175.8864 140 N 5.2233 8.9474 121.1694 50.6534 39.9953 175.5811 141 Q 4.0810 8.8904 115.8367 58.7626 28.3809 177.6956 142 R 4.4466 8.3028 115.3918 55.7978 29.9100 178.5693 143 G 4.0046 8.1547 107.5188 46.9287 0.0000 175.0453 144 E 3.9724 7.7169 120.0421 56.2153 29.9557 176.0737 145 L 4.6547 8.3693 124.9155 54.7180 42.2243 176.3781 146 V 4.2212 8.7702 121.1187 63.0457 33.2489 176.1130 147 L 5.1581 7.6085 120.2060 54.0303 45.7680 174.4687 148 T 5.1650 8.5499 117.5391 60.9024 71.2725 172.2259 149 A 5.0609 8.9443 127.3350 51.2825 23.7202 174.7184 150 L 5.5240 9.0423 121.5786 53.5140 44.8591 175.0494 151 Y 5.6908 8.9328 123.5992 55.5862 42.2159 174.1643 152 S 5.3652 9.7095 113.8781 56.8442 66.9798 172.6282 153 A 5.3442 9.1300 122.8973 50.1912 22.7840 174.7949 154 L 4.5538 8.9081 123.4330 53.7114 43.5575 175.3950 155 I 5.1128 8.3308 120.2398 58.6097 40.8307 175.1622 156 R 4.5861 9.4536 126.4105 56.8624 31.0935 175.6932 157 K 5.1645 8.7644 124.8766 54.5608 33.7135 177.0190 158 T 2.5964 8.1279 118.8615 63.2396 68.9743 172.8955 159 P 4.3520 0.0000 0.0000 62.8194 31.4409 176.2580 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 9 A 8.26 4.34 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 10 R 8.78 3.82 0.00 1.86 1.73 0.00 3.32 0.00 0.00 3.20 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 11 N 8.95 5.21 0.00 2.72 2.78 0.00 0.00 6.59 8.03 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 12 P 0.00 5.53 0.00 1.54 1.91 0.00 3.39 0.00 0.00 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.85 0.00 13 I 7.86 4.22 1.58 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.47 0.18 0.00 0.00 14 Y 8.22 4.70 0.00 3.14 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 15 F 9.36 4.28 0.00 3.17 3.17 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 16 E 8.33 3.85 0.00 2.13 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 0.00 2.43 2.29 0.00 17 S 8.03 4.21 0.00 4.00 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 18 I 7.25 4.00 1.74 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.71 0.75 0.00 0.00 19 Q 9.49 4.49 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 6.92 0.00 0.00 0.00 0.00 0.00 2.34 2.22 0.00 20 I 8.18 3.78 1.79 0.00 0.00 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 1.21 0.40 0.91 0.00 0.00 21 G 8.74 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 0.00 0.00 0.00 22 E 8.05 4.14 0.00 1.96 1.91 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 2.32 2.51 0.00 23 K 8.65 5.14 0.00 1.73 1.65 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.64 7.81 24 I 9.16 4.52 1.93 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 1.20 0.62 0.94 0.00 0.00 25 E 8.82 4.70 0.00 1.96 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 2.21 2.36 0.00 26 G 8.78 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 27 L 8.27 4.36 0.00 1.61 1.58 0.92 0.95 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 28 P 0.00 4.84 0.00 1.98 1.97 0.00 3.74 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 29 R 8.41 4.70 0.00 1.82 1.96 0.00 2.76 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 30 T 8.48 4.77 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 1.33 0.00 0.00 31 V 8.66 3.95 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 0.73 0.00 0.00 0.89 0.00 0.00 32 T 8.83 4.84 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 1.38 0.00 0.00 33 E 8.83 4.09 0.00 2.05 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 2.01 2.12 0.00 34 T 8.01 3.95 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 1.26 0.00 0.00 35 D 8.03 4.38 0.00 3.06 2.70 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 36 I 7.91 3.77 2.29 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.98 0.72 0.00 0.00 37 W 8.95 3.27 0.00 3.33 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 38 T 8.19 3.80 4.42 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 1.28 0.00 0.00 39 F 8.26 3.89 0.00 3.15 3.02 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 40 A 7.82 3.64 0.20 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 41 Y 8.02 4.40 0.00 3.10 2.94 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 42 L 7.90 3.95 0.00 1.63 1.66 0.88 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.46 4.11 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 0.32 0.00 0.00 44 A 7.59 3.85 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 45 D 7.70 4.76 0.00 2.64 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 46 F 8.43 4.24 0.00 2.98 2.95 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 47 F 8.10 4.01 0.00 3.23 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 48 P 0.00 3.86 0.00 0.49 1.63 0.00 2.31 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.77 0.00 49 L 7.11 4.18 0.00 1.93 1.69 0.91 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 50 H 8.28 4.70 0.00 3.03 3.09 0.00 5.65 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 T 7.65 4.42 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 -0.26 0.00 0.00 52 D 8.25 4.76 0.00 2.63 2.72 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 53 V 8.74 3.75 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 1.08 0.00 0.00 1.05 0.00 0.00 54 E 8.27 4.07 0.00 2.14 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 0.00 2.36 2.46 0.00 55 F 8.96 4.17 0.00 3.06 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 56 A 8.43 4.26 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.53 4.42 0.00 1.97 1.92 0.00 1.69 0.00 0.00 1.58 0.00 0.00 3.07 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.62 7.81 58 K 7.67 4.22 0.00 1.50 1.69 0.00 1.52 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.29 7.81 59 T 7.59 4.40 4.42 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 1.25 0.00 0.00 60 I 8.04 3.72 1.66 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.65 0.05 0.00 0.00 61 F 8.01 4.68 0.00 3.27 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 62 G 8.50 4.40 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 0.00 0.00 0.00 63 K 7.83 5.02 0.00 1.97 1.89 0.00 1.79 0.00 0.00 1.79 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.16 7.81 64 P 0.00 4.81 0.00 2.33 2.20 0.00 3.85 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 2.15 2.11 0.00 65 I 7.55 4.72 1.42 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.44 0.19 0.00 0.00 66 A 8.44 4.11 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 67 Q 8.10 3.60 0.00 1.45 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.17 0.00 0.00 0.00 0.00 0.00 2.22 1.50 0.00 68 G 7.84 2.89 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 *70 L 8.16 3.24 0.00 0.49 1.35 0.72 0.68 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 71 V 7.35 3.50 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 0.91 0.00 0.00 0.85 0.00 0.00 72 L 8.03 3.94 0.00 1.99 1.67 0.90 0.89 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 73 S 7.87 4.09 0.00 3.99 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 74 I 7.83 3.66 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 1.42 0.55 0.88 0.00 0.00 75 A 7.80 4.08 1.35 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 0.00 0.00 76 L 8.15 4.00 0.00 1.56 1.46 0.87 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 77 G 7.95 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 *79 V 7.74 3.99 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 0.92 0.00 0.00 0.98 0.00 0.00 80 D 8.08 4.25 0.00 2.82 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 81 Q 8.00 4.00 0.00 2.34 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.59 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 82 V 7.32 3.59 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 0.91 0.00 0.00 0.96 0.00 0.00 83 I 7.68 4.05 2.01 0.00 0.00 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 1.75 0.69 1.00 0.00 0.00 84 L 8.27 4.07 0.00 1.85 1.74 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 85 S 7.49 4.65 0.00 3.88 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 86 N 8.00 4.82 0.00 2.28 2.00 0.00 0.00 6.65 7.02 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 87 Y 7.64 5.05 0.00 2.79 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 88 D 9.51 4.54 0.00 2.89 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 89 V 8.30 3.94 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 0.89 0.00 0.00 0.93 0.00 0.00 90 S 8.20 4.22 0.00 3.99 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 91 S 7.82 4.14 0.00 3.82 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 92 V 7.34 4.01 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 0.74 0.00 0.00 0.92 0.00 0.00 93 I 8.62 4.05 2.02 0.00 0.00 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 1.18 0.85 0.94 0.00 0.00 94 A 7.71 4.64 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 95 F 8.78 4.84 0.00 3.02 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 96 F 9.72 4.07 0.00 3.18 3.25 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 97 G 7.51 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 98 I 8.23 5.06 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 1.40 0.48 1.02 0.00 0.00 99 K 9.17 4.22 0.00 1.84 1.87 0.00 1.88 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.43 7.81 100 D 7.73 4.65 0.00 2.72 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 0.00 101 V 8.25 4.66 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 0.23 0.00 0.00 0.87 0.00 0.00 102 R 8.78 4.33 0.00 1.64 1.71 0.00 3.13 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.66 0.00 103 F 8.55 4.46 0.00 2.95 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 0.00 104 L 8.87 4.29 0.00 1.82 1.75 0.93 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 105 R 7.70 4.76 0.00 1.74 1.79 0.00 3.36 0.00 0.00 3.35 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 106 P 0.00 4.34 0.00 1.33 1.72 0.00 3.89 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.27 0.00 107 V 7.77 4.31 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 1.03 0.00 0.00 0.86 0.00 0.00 108 F 9.47 4.95 0.00 3.29 2.95 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 0.00 109 I 8.92 3.72 1.98 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.59 0.96 0.00 0.00 110 G 7.98 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 0.00 111 D 8.34 4.85 0.00 2.77 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 0.00 112 T 8.53 4.97 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 1.23 0.00 0.00 113 I 8.30 4.69 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.73 0.90 0.00 0.00 114 A 9.09 4.97 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 0.00 115 A 8.67 5.42 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 0.00 116 S 9.23 5.15 0.00 3.85 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 0.00 117 A 9.09 5.38 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 0.00 118 E 9.12 5.08 0.00 2.03 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 2.16 2.32 0.00 119 V 8.77 3.72 1.91 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 0.66 0.00 0.00 0.67 0.00 0.00 120 V 8.41 4.33 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 0.73 0.00 0.00 0.90 0.00 0.00 121 E 7.57 4.73 0.00 1.95 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 0.00 2.25 2.30 0.00 122 K 8.36 5.25 0.00 1.54 1.58 0.00 1.57 0.00 0.00 1.44 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.15 1.29 7.81 123 Q 9.18 4.65 0.00 1.98 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.93 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 124 D 9.06 4.45 0.00 2.75 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.58 4.62 0.00 2.66 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 0.00 126 D 7.93 4.52 0.00 2.77 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 0.00 127 E 8.72 4.20 0.00 2.10 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 0.00 2.28 2.27 0.00 128 K 8.31 4.51 0.00 2.02 1.88 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.35 7.81 129 S 7.64 4.87 0.00 3.96 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 0.00 130 G 8.14 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 0.00 0.00 0.00 131 V 8.11 4.65 1.69 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 -0.28 0.00 0.00 0.79 0.00 0.00 132 V 8.68 4.75 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 0.30 0.00 0.00 1.08 0.00 0.00 133 T 8.71 4.99 4.12 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 1.20 0.00 0.00 134 Y 9.19 4.92 0.00 1.43 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 0.00 135 K 9.24 4.87 0.00 1.77 1.68 0.00 1.61 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.37 7.81 136 L 9.64 5.20 0.00 2.05 1.78 1.04 0.70 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 0.00 137 E 9.39 5.09 0.00 1.91 1.79 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 2.23 2.24 0.00 138 V 8.89 4.83 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 1.12 0.00 0.00 0.93 0.00 0.00 139 K 9.32 5.24 0.00 1.67 1.66 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.35 7.81 140 N 8.95 5.22 0.00 2.88 3.00 0.00 0.00 6.61 6.64 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 0.00 141 Q 8.89 4.08 0.00 2.24 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.07 0.00 0.00 0.00 0.00 0.00 2.44 2.33 0.00 142 R 8.30 4.45 0.00 2.04 2.18 0.00 2.93 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 143 G 8.15 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 0.00 144 E 7.72 3.97 0.00 2.18 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 2.36 2.45 0.00 145 L 8.37 4.65 0.00 1.60 1.61 0.98 0.96 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 0.00 146 V 8.77 4.22 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 0.71 0.00 0.00 0.99 0.00 0.00 147 L 7.61 5.16 0.00 1.73 1.45 1.06 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 148 T 8.55 5.16 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 1.17 0.00 0.00 149 A 8.94 5.06 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 0.00 150 L 9.04 5.52 0.00 1.76 1.54 0.98 1.16 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 0.00 151 Y 8.93 5.69 0.00 3.57 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 0.00 152 S 9.71 5.37 0.00 3.97 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 0.00 153 A 9.13 5.34 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 0.00 154 L 8.91 4.55 0.00 1.68 1.55 0.46 1.14 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 0.00 155 I 8.33 5.11 1.90 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 1.45 0.91 0.98 0.00 0.00 156 R 9.45 4.59 0.00 2.02 1.94 0.00 3.22 0.00 0.00 3.24 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.97 0.00 157 K 8.76 5.16 0.00 1.79 1.94 0.00 1.86 0.00 0.00 1.63 0.00 0.00 3.20 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.78 1.26 7.81 158 T 8.13 2.60 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 0.81 0.00 0.00 159 P 0.00 4.35 0.00 1.96 1.92 0.00 3.20 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.01 0.00 * Residues marked with a * may have inaccurate shift predictions.