NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 E 4.2553 8.3033 121.7407 56.0608 31.9217 173.7270 *2 R 4.3900 8.1783 117.9697 56.1122 31.8752 174.9639 3 I 4.9488 8.2494 122.1446 59.5577 41.2169 174.2079 4 G 4.5737 8.7954 112.6513 45.1422 0.0000 170.8920 5 H 5.5212 8.7601 119.3273 54.3047 33.8554 172.2178 6 G 4.3272 8.7250 110.3365 44.7755 0.0000 171.0214 7 F 5.5029 8.5386 121.9181 56.8612 42.6116 172.7834 8 D 4.4698 7.8912 123.3306 53.1050 45.1999 173.8822 9 V 4.7507 7.7577 121.4130 61.6239 34.7203 173.8676 10 H 4.9343 8.8747 123.3464 53.8533 33.1432 172.4736 11 A 4.7795 8.2781 122.1234 50.9077 20.6347 176.9878 12 F 5.0366 8.6287 119.5238 57.7751 39.9311 175.4095 13 G 3.8794 9.6342 106.5048 47.3214 0.0000 175.2740 14 G 4.1066 8.2176 110.2639 44.9006 0.0000 172.1064 15 E 4.7481 8.3072 116.8029 54.3245 32.7130 176.3029 16 G 4.1115 8.7016 108.5560 45.1526 0.0000 170.5287 17 P 4.9754 0.0000 0.0000 62.1418 33.3034 175.1675 18 I 4.6278 8.7252 113.1467 59.4103 40.7177 174.5583 19 I 5.0455 8.1293 122.7492 59.6780 40.4654 174.9959 20 I 4.6442 8.4116 127.1369 60.6242 40.5311 175.6860 21 G 4.0095 10.0992 113.6687 46.6440 0.0000 174.4984 22 G 3.9131 9.1250 106.9227 44.9641 0.0000 174.1307 23 V 4.5598 7.6479 120.7080 61.0326 33.6167 174.9169 24 R 4.7458 8.7051 127.3110 56.0871 31.0278 175.8676 25 I 4.4864 8.9823 124.6442 58.6411 40.4000 173.4424 26 P 4.7437 0.0000 0.0000 63.1261 31.6745 175.0023 27 Y 4.8842 8.1816 121.9855 56.7315 41.5844 174.8967 28 E 3.7765 7.7432 121.3329 58.2664 29.8180 176.7272 29 K 4.9616 6.4361 116.3806 53.4916 36.5098 175.9713 30 G 4.3536 8.0551 108.9885 44.3914 0.0000 171.6895 31 L 5.3704 8.3138 119.4083 52.7248 43.4131 176.9722 32 L 4.2580 9.1554 125.2254 54.3461 42.0996 176.7923 33 A 4.2996 7.9973 125.2934 52.1565 21.4169 176.1875 34 H 4.3183 8.5935 118.3320 58.9003 29.0783 176.6946 35 S 4.5149 7.6920 111.9850 57.4692 64.6179 173.1426 36 D 4.3928 8.5839 118.6886 54.1328 39.3763 176.6914 37 G 3.4850 8.0607 107.9650 46.8136 0.0000 174.8764 38 D 4.8097 7.7479 121.8651 52.9318 40.0631 176.6961 39 V 3.7391 8.0134 120.1121 63.7881 31.6943 177.9131 40 A 3.9365 7.8597 120.1291 55.2821 18.3091 179.6071 41 L 3.9616 8.2031 117.4451 57.9450 41.5659 179.5350 42 H 4.2530 8.3522 116.2723 58.7231 28.6318 177.6241 43 A 3.9406 8.0688 122.5923 55.0343 18.2111 179.3557 44 L 3.8670 8.0810 118.9391 58.6582 42.0638 179.3281 45 T 3.9097 8.1870 115.8151 66.8250 68.4022 176.3533 46 D 4.3459 8.4130 120.6869 57.2607 40.8325 178.6871 47 A 4.2331 8.0905 122.6578 54.5600 18.4007 179.7733 48 L 3.9536 8.0999 117.4300 58.0278 41.7019 179.5814 49 L 4.1118 8.2992 119.3494 57.8351 41.5370 179.9362 50 G 3.5634 8.6725 105.6493 47.7740 0.0000 175.5741 51 A 4.5407 8.1044 123.3556 53.9005 18.4425 178.6049 52 A 3.8707 7.5274 115.5332 50.7096 19.4808 176.8022 53 A 3.6943 7.6032 119.7160 53.8023 16.6527 178.0849 54 L 4.5900 8.4107 117.1283 55.3949 43.3860 177.3115 55 G 4.0481 9.1800 108.2479 44.3975 0.0000 176.3270 56 D 4.8251 8.3803 126.0658 50.5433 43.4143 175.0959 57 I 3.9318 9.5267 114.2842 64.2224 36.9352 178.5944 58 G 3.6287 8.1110 106.4351 47.4105 0.0000 175.2411 59 K 4.0827 8.1786 121.1960 59.2950 32.2869 178.6818 60 L 3.9279 7.4393 117.9120 55.9682 42.8201 177.3768 61 F 4.9734 7.5020 116.0185 54.8692 39.3523 172.8606 62 P 4.5203 0.0000 0.0000 62.1433 32.2536 177.7166 63 D 4.5483 8.5594 120.1290 56.8986 40.8557 177.8884 64 T 4.0678 7.8121 114.8604 64.8870 68.9368 173.8175 65 D 4.8241 7.9888 121.9614 51.9087 42.2690 174.4448 66 P 4.3893 0.0000 0.0000 65.1137 32.1801 178.0816 67 A 3.7554 8.0070 121.5766 55.0077 18.2509 178.2242 68 F 4.5980 8.0496 111.3017 56.9253 39.4529 175.6627 69 K 4.1115 7.7614 121.8637 57.8988 31.9026 177.5299 70 G 3.8699 9.0061 111.4847 45.4071 0.0000 173.2137 71 A 4.2255 7.8561 122.6691 51.2692 19.1803 178.0394 72 D 4.6276 8.3634 120.9129 53.2226 41.6914 177.8855 73 S 4.2011 8.8791 115.5013 61.0897 62.6544 177.2668 74 R 3.9144 7.9406 120.9396 59.1022 29.8195 178.5381 75 E 4.0051 8.6486 118.5363 59.3736 29.3944 179.3739 76 L 3.4167 7.5627 118.9640 57.4434 41.5193 179.3354 77 L 3.9860 8.0272 120.2348 58.3176 42.0514 179.2192 78 R 4.0677 8.2939 118.2585 59.3050 29.9904 178.7379 79 E 4.0291 8.3988 118.9563 59.0876 29.5956 178.5643 80 A 4.0024 8.4003 121.0850 55.0895 18.5088 179.3941 81 W 4.4716 8.6954 127.1273 60.6849 30.7330 178.1673 82 R 3.8131 8.2972 118.0970 59.5794 29.3576 179.2674 83 R 3.9065 7.7570 116.1817 59.2267 30.3649 178.9759 84 I 3.9002 7.9085 119.8290 64.4321 37.0278 178.4915 85 Q 3.9485 8.2422 120.3576 58.1716 28.1966 178.6839 86 A 3.9132 7.7343 120.8679 54.5208 18.4539 178.9754 87 K 4.1693 7.5008 114.6964 56.9380 32.4076 177.7972 88 G 3.8051 7.8931 108.1767 45.2753 0.0000 173.1725 89 Y 4.7362 7.4464 117.0938 56.8181 39.5370 174.3062 90 T 4.8214 8.6190 112.0784 59.6153 72.8419 172.3742 91 L 4.3100 8.9246 124.3408 55.1226 42.3091 175.7379 92 G 4.0243 9.2626 115.9010 46.8275 0.0000 173.1978 93 N 5.0995 7.5333 113.9104 51.3868 41.1824 173.2596 94 V 5.0210 8.6486 112.0632 59.8499 36.4696 174.3952 95 D 5.2092 8.9529 121.6106 52.8742 44.8899 174.1261 96 V 4.8687 8.7761 125.0480 61.3774 35.1465 174.3364 97 T 4.9286 9.1105 123.3836 61.8789 71.7845 173.0023 98 I 4.3372 8.6919 128.6778 60.5747 39.0038 175.3492 99 I 4.9300 8.8623 127.7029 59.9696 39.2167 174.4079 100 A 4.6967 8.5673 127.9938 50.9278 22.3418 177.0409 101 Q 3.9593 9.0243 122.9042 58.7559 29.6316 175.6376 102 A 4.4569 7.3400 117.1328 50.2896 21.7410 173.5097 103 P 4.4223 0.0000 0.0000 61.6806 32.2073 175.6479 104 K 4.0530 8.1054 120.2306 56.2571 33.0550 175.9293 *106 L 4.3545 8.3700 120.1757 54.6786 43.2389 176.9088 107 P 4.2801 0.0000 0.0000 64.7858 31.7954 176.8394 108 H 4.6932 7.7934 114.1106 56.2855 29.5270 177.2255 109 I 3.8280 7.3856 120.8057 63.7360 37.5186 175.5253 110 P 4.3555 0.0000 0.0000 65.8944 31.2786 179.5212 111 Q 3.7776 7.3943 115.4550 55.9286 27.9850 178.7302 *113 R 4.1878 8.1736 118.6306 56.3780 32.3530 178.3248 114 V 3.5327 7.5873 116.7026 66.0876 31.3920 178.0935 115 F 4.5669 8.1374 117.7570 60.8057 38.7233 177.8255 116 I 3.7151 7.8204 118.7709 64.2502 36.9977 178.1614 117 A 3.9559 8.3324 121.9989 54.9770 18.2772 179.4926 118 E 3.9268 8.4331 117.2189 59.9247 29.4289 179.4176 119 D 4.4459 8.1349 117.3158 56.6432 40.9136 177.8912 120 L 3.7553 7.6131 116.6699 52.8533 42.1083 176.4230 121 G 4.0486 7.8405 106.8419 46.8699 0.0000 172.8071 122 C 4.9758 7.8748 112.6925 55.9241 33.9497 174.5935 123 H 4.9358 7.7482 124.9152 55.7962 26.6497 178.4119 *125 D 4.5607 8.6569 127.7474 54.9209 42.4468 175.0399 126 D 4.6928 8.0267 117.5909 54.6139 41.2337 175.4108 127 V 4.5733 7.5353 119.5280 60.9881 33.8926 173.9837 128 N 5.1142 8.9734 126.5293 51.7510 42.0154 173.1803 129 V 5.0683 8.2983 124.1859 61.1220 34.8069 174.1434 130 K 4.8658 9.2475 125.6364 55.4234 36.7135 174.3538 131 A 5.2760 8.3266 120.2044 51.0035 22.6080 175.1078 132 T 4.7177 8.7640 112.5845 61.0824 71.4030 173.3302 133 T 4.8408 8.6636 116.9531 59.7432 71.3825 174.1248 134 T 4.4465 8.1278 108.6144 61.2808 69.3754 174.1652 135 E 3.7410 8.6254 117.7201 58.5757 27.3475 175.6503 136 K 4.2292 8.4650 112.8752 56.6843 31.1608 176.3198 137 L 4.4453 7.8288 119.7357 54.1446 43.4427 177.6087 138 G 4.2906 8.5189 110.4784 44.8114 0.0000 174.4230 139 F 4.3629 8.4901 113.3831 59.9824 37.5219 177.6724 140 T 4.1741 6.3515 111.4751 64.1988 68.6586 176.8009 141 G 3.6648 7.8633 108.5347 47.1537 0.0000 174.9800 142 R 4.4307 8.0589 117.6143 55.8473 30.4087 176.7511 143 G 4.1338 8.1199 106.9117 46.8280 0.0000 175.0012 144 E 4.3885 8.8051 122.0307 57.8588 29.9966 176.7945 145 G 3.5900 7.2175 104.4499 45.2551 0.0000 171.3664 146 I 4.8237 7.4556 118.3545 59.4104 41.4474 174.8261 147 A 5.0849 8.8118 126.2955 50.5123 23.0060 174.4926 148 C 5.0733 8.5815 118.2345 58.1947 35.6019 172.6455 149 E 5.4941 9.3862 124.4240 54.7888 32.8723 174.8343 150 A 5.1385 8.8208 122.7787 50.6596 23.3141 175.5594 151 V 5.0432 8.9891 112.6470 59.6517 36.1569 174.7475 152 A 5.1833 8.8163 123.4448 50.2738 23.2688 174.7319 153 L 5.2045 8.7846 121.2158 53.3175 44.9885 175.5322 154 L 5.2974 8.9940 126.1817 53.1378 44.6262 175.8298 155 I 4.8638 8.9364 121.7389 59.4328 40.7103 175.8250 156 K 4.1740 9.1847 126.6614 56.5412 31.8198 175.5869 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 0 E 8.30 4.26 0.00 2.10 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 2.37 2.41 0.00 *2 R 8.18 4.39 0.00 1.75 1.95 0.00 3.57 0.00 0.00 3.43 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 3 I 8.25 4.95 1.88 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 1.29 1.47 0.92 0.00 0.00 4 G 8.80 4.57 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 0.00 0.00 0.00 5 H 8.76 5.52 0.00 3.18 3.10 0.00 5.62 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 6 G 8.73 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 0.00 0.00 0.00 0.00 7 F 8.54 5.50 0.00 3.03 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 8 D 7.89 4.47 0.00 2.69 2.39 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 0.00 9 V 7.76 4.75 1.94 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 0.73 0.00 0.00 0.94 0.00 0.00 10 H 8.87 4.93 0.00 2.99 3.04 0.00 5.66 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 11 A 8.28 4.78 1.18 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 0.00 0.00 12 F 8.63 5.04 0.00 3.07 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 G 9.63 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.22 4.11 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 0.00 15 E 8.31 4.75 0.00 2.02 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 2.27 2.29 0.00 16 G 8.70 4.11 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 0.00 17 P 0.00 4.98 0.00 2.15 2.12 0.00 3.75 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 18 I 8.73 4.63 1.95 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 1.44 0.90 1.17 0.00 0.00 19 I 8.13 5.05 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.11 0.91 0.00 0.00 20 I 8.41 4.64 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.24 0.89 0.00 0.00 21 G 10.10 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 22 G 9.13 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 23 V 7.65 4.56 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 0.98 0.00 0.00 1.10 0.00 0.00 24 R 8.71 4.75 0.00 1.77 1.87 0.00 3.21 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 25 I 8.98 4.49 1.81 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.89 0.82 0.00 0.00 26 P 0.00 4.74 0.00 1.97 2.00 0.00 3.73 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 2.05 2.10 0.00 27 Y 8.18 4.88 0.00 2.92 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 28 E 7.74 3.78 0.00 1.71 1.77 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 1.68 1.47 0.00 29 K 6.44 4.96 0.00 1.37 1.72 0.00 1.33 0.00 0.00 1.50 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.21 0.90 7.81 30 G 8.06 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 0.00 0.00 0.00 0.00 31 L 8.31 5.37 0.00 1.54 1.58 0.96 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 32 L 9.16 4.26 0.00 1.56 1.59 0.93 0.80 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 33 A 8.00 4.30 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 34 H 8.59 4.32 0.00 3.16 3.40 0.00 5.70 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 7.69 4.51 0.00 3.99 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 36 D 8.58 4.39 0.00 2.76 2.80 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 37 G 8.06 3.49 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 0.00 38 D 7.75 4.81 0.00 2.80 2.44 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 39 V 8.01 3.74 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 0.77 0.00 0.00 0.85 0.00 0.00 40 A 7.86 3.94 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 41 L 8.20 3.96 0.00 1.68 1.72 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 42 H 8.35 4.25 0.00 3.28 3.33 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.07 3.94 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 44 L 8.08 3.87 0.00 1.78 1.85 0.87 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 45 T 8.19 3.91 4.44 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 1.31 0.00 0.00 46 D 8.41 4.35 0.00 2.93 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 47 A 8.09 4.23 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 8.10 3.95 0.00 1.93 1.90 0.86 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.30 4.11 0.00 1.81 1.72 0.92 1.13 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 50 G 8.67 3.56 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 0.00 51 A 8.10 4.54 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.53 3.87 1.13 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 0.00 0.00 53 A 7.60 3.69 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 54 L 8.41 4.59 0.00 1.59 1.64 0.91 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 55 G 9.18 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 0.00 0.00 0.00 56 D 8.38 4.83 0.00 3.07 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 57 I 9.53 3.93 2.02 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 1.61 0.68 1.03 0.00 0.00 58 G 8.11 3.63 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 0.00 59 K 8.18 4.08 0.00 1.75 1.94 0.00 1.78 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.45 7.81 60 L 7.44 3.93 0.00 1.15 0.14 0.74 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 61 F 7.50 4.97 0.00 3.07 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 62 P 0.00 4.52 0.00 2.27 1.98 0.00 3.66 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 63 D 8.56 4.55 0.00 2.67 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 64 T 7.81 4.07 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 65 D 7.99 4.82 0.00 2.71 2.71 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 66 P 0.00 4.39 0.00 2.32 2.28 0.00 3.54 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.08 0.00 67 A 8.01 3.76 1.13 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 0.00 0.00 68 F 8.05 4.60 0.00 3.17 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 69 K 7.76 4.11 0.00 1.88 1.78 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.23 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.72 7.81 70 G 9.01 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 0.00 0.00 0.00 71 A 7.86 4.23 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 72 D 8.36 4.63 0.00 3.04 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 73 S 8.88 4.20 0.00 3.86 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 74 R 7.94 3.91 0.00 1.92 1.99 0.00 2.82 0.00 0.00 3.05 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.63 0.00 75 E 8.65 4.01 0.00 2.21 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 0.00 2.37 2.43 0.00 76 L 7.56 3.42 0.00 1.56 1.19 0.62 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 77 L 8.03 3.99 0.00 1.76 1.86 0.91 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 78 R 8.29 4.07 0.00 1.97 2.07 0.00 3.24 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.87 0.00 79 E 8.40 4.03 0.00 2.24 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 0.00 2.08 2.34 0.00 80 A 8.40 4.00 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 81 W 8.70 4.47 0.00 3.47 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 82 R 8.30 3.81 0.00 2.12 1.99 0.00 3.23 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.90 0.00 83 R 7.76 3.91 0.00 1.89 1.95 0.00 3.05 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.86 0.00 84 I 7.91 3.90 1.83 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.03 0.78 0.00 0.00 85 Q 8.24 3.95 0.00 1.64 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 1.39 1.16 0.00 86 A 7.73 3.91 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 87 K 7.50 4.17 0.00 2.07 1.89 0.00 1.72 0.00 0.00 1.85 0.00 0.00 3.25 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.47 7.81 88 G 7.89 3.81 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 0.00 0.00 0.00 89 Y 7.45 4.74 0.00 3.06 2.87 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 90 T 8.62 4.82 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 1.25 0.00 0.00 91 L 8.92 4.31 0.00 1.72 1.68 0.77 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 92 G 9.26 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 N 7.53 5.10 0.00 2.86 2.89 0.00 0.00 5.74 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 94 V 8.65 5.02 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 0.67 0.00 0.00 0.86 0.00 0.00 95 D 8.95 5.21 0.00 2.75 2.44 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 96 V 8.78 4.87 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 1.00 0.00 0.00 0.91 0.00 0.00 97 T 9.11 4.93 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 1.22 0.00 0.00 98 I 8.69 4.34 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.63 0.88 0.00 0.00 99 I 8.86 4.93 1.95 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.79 0.86 0.00 0.00 100 A 8.57 4.70 1.23 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 0.00 0.00 0.00 101 Q 9.02 3.96 0.00 2.21 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.71 0.00 0.00 0.00 0.00 0.00 2.51 2.45 0.00 102 A 7.34 4.46 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 0.00 103 P 0.00 4.42 0.00 2.16 2.03 0.00 3.44 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.65 0.00 104 K 8.11 4.05 0.00 1.73 1.80 0.00 1.69 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.48 7.81 *106 L 8.37 4.35 0.00 1.76 1.65 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 107 P 0.00 4.28 0.00 1.83 1.99 0.00 3.59 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.02 0.00 108 H 7.79 4.69 0.00 3.25 3.31 0.00 5.81 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 I 7.39 3.83 1.99 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 1.28 0.46 0.88 0.00 0.00 110 P 0.00 4.36 0.00 2.10 2.05 0.00 3.61 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.08 0.00 111 Q 7.39 3.78 0.00 2.20 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.15 6.39 0.00 0.00 0.00 0.00 0.00 2.06 2.17 0.00 *113 R 8.17 4.19 0.00 1.99 1.97 0.00 3.10 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.75 0.00 114 V 7.59 3.53 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 1.09 0.00 0.00 0.87 0.00 0.00 115 F 8.14 4.57 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 0.00 116 I 7.82 3.72 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.68 0.82 0.00 0.00 117 A 8.33 3.96 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 0.00 118 E 8.43 3.93 0.00 2.37 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 0.00 2.39 2.55 0.00 119 D 8.13 4.45 0.00 2.72 2.71 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 0.00 120 L 7.61 3.76 0.00 1.24 0.74 0.54 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 121 G 7.84 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 0.00 0.00 0.00 122 C 7.87 4.98 0.00 2.98 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 0.00 123 H 7.75 4.94 0.00 3.24 2.68 0.00 5.67 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *125 D 8.66 4.56 0.00 2.66 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 0.00 126 D 8.03 4.69 0.00 2.91 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 0.00 127 V 7.54 4.57 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 0.74 0.00 0.00 0.87 0.00 0.00 128 N 8.97 5.11 0.00 2.85 2.76 0.00 0.00 6.13 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 0.00 129 V 8.30 5.07 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 0.88 0.00 0.00 0.91 0.00 0.00 130 K 9.25 4.87 0.00 1.78 1.85 0.00 1.31 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.37 7.81 131 A 8.33 5.28 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 0.00 132 T 8.76 4.72 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 1.20 0.00 0.00 133 T 8.66 4.84 4.44 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 1.21 0.00 0.00 134 T 8.13 4.45 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 135 E 8.63 3.74 0.00 2.14 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 2.24 2.40 0.00 136 K 8.47 4.23 0.00 1.92 1.95 0.00 1.68 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.51 7.81 137 L 7.83 4.45 0.00 1.75 1.55 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 138 G 8.52 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 0.00 0.00 0.00 0.00 139 F 8.49 4.36 0.00 3.22 3.36 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 0.00 140 T 6.35 4.17 4.11 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 0.76 0.00 0.00 141 G 7.86 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 0.00 142 R 8.06 4.43 0.00 1.91 2.06 0.00 3.29 0.00 0.00 3.27 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.83 0.00 143 G 8.12 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 0.00 0.00 0.00 0.00 144 E 8.81 4.39 0.00 2.37 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 2.44 2.52 0.00 145 G 7.22 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 0.00 146 I 7.46 4.82 1.65 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 1.13 0.17 0.89 0.00 0.00 147 A 8.81 5.08 1.23 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 0.00 0.00 0.00 148 C 8.58 5.07 0.00 2.87 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 0.00 149 E 9.39 5.49 0.00 1.99 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 2.71 2.43 0.00 150 A 8.82 5.14 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 0.00 151 V 8.99 5.04 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 0.83 0.00 0.00 0.99 0.00 0.00 152 A 8.82 5.18 1.18 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 0.00 0.00 153 L 8.78 5.20 0.00 1.76 1.50 0.97 0.52 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 0.00 154 L 8.99 5.30 0.00 1.40 1.59 0.56 0.95 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 0.00 155 I 8.94 4.86 1.97 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 1.17 0.88 0.97 0.00 0.00 156 K 9.18 4.17 0.00 1.73 1.64 0.00 1.36 0.00 0.00 0.61 0.00 0.00 2.51 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.18 1.23 7.81 * Residues marked with a * may have inaccurate shift predictions.