NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 28 Q 4.3175 8.3444 119.1182 54.3639 29.8583 174.6255 29 V 3.6105 8.4009 123.2630 61.7457 32.1574 171.5202 30 E 4.9287 8.7960 125.7217 54.5664 33.2940 174.9040 31 G 4.2118 8.5016 109.6454 44.7437 0.0000 174.1791 32 E 5.1481 8.8374 121.6271 57.0126 31.0944 176.3350 33 V 4.8861 7.7800 118.7884 61.0481 33.8195 174.7677 34 Q 4.6980 9.1906 126.7681 54.2226 31.5615 174.6316 35 I 4.4268 8.2554 124.1893 60.3675 38.2466 175.4009 36 V 4.4823 8.1623 120.1321 59.6740 35.5154 174.6737 37 S 4.8686 7.9411 114.5494 58.0049 65.4361 173.6367 38 T 4.6816 8.9687 111.3665 59.4518 71.2547 174.6918 39 A 4.1503 8.6297 123.2539 54.6392 18.4829 178.4094 40 T 4.4552 7.3595 105.2795 62.2102 70.5580 174.3398 41 Q 4.7004 8.2399 118.6066 54.6822 31.8449 172.9832 42 T 5.0965 8.3822 112.1662 60.6509 70.7856 172.3828 43 F 5.7532 8.6010 122.9549 56.6073 41.8787 172.6841 44 L 5.4820 9.2909 116.7196 53.4452 46.3275 175.5596 45 A 5.3691 9.0944 121.1888 50.8104 23.1707 175.2787 46 T 5.1151 9.2722 116.6996 62.0259 72.7352 172.9120 47 C 5.2020 9.2638 124.6506 58.9168 30.0667 173.1196 48 I 4.9270 8.9949 124.9220 60.7284 40.4728 175.3566 49 N 4.4561 9.0693 123.9322 54.5988 36.4685 175.4058 50 G 3.9522 8.7613 104.2911 45.6725 0.0000 172.9981 51 V 4.6279 7.6051 119.4547 60.8536 34.7293 174.1126 52 C 4.9649 9.0609 128.9982 58.3382 32.2313 172.2260 53 W 5.4586 9.3387 127.4073 56.2149 31.5573 175.7138 54 T 4.8101 8.7909 116.0664 61.7275 71.1847 172.3685 55 V 4.6047 8.3569 115.2326 60.4796 32.9041 176.8731 56 Y 3.9782 8.6921 125.6237 60.9705 38.4564 178.0924 57 H 4.5036 8.8677 114.9732 57.3816 28.4749 176.7039 58 G 2.8645 7.1540 106.6795 46.3502 0.0000 175.1231 59 A 4.5520 8.0235 123.5675 51.8424 19.1915 178.4710 60 G 2.9285 8.2042 106.0933 47.2650 0.0000 174.8149 61 T 4.4824 8.3424 114.7922 60.9107 69.1878 175.0659 62 R 4.0856 7.6147 121.5951 57.3348 30.5882 176.2436 63 T 4.8012 8.2643 110.7478 61.2455 70.9841 173.1609 64 I 4.0697 8.2318 121.4855 58.5084 40.2773 174.8144 65 A 4.5180 8.2127 130.1495 52.4232 19.2953 176.6120 66 S 4.4935 7.9603 110.1751 56.5712 65.9794 174.1663 67 P 4.2926 0.0000 0.0000 64.7078 31.1271 177.5134 68 K 4.2839 7.6083 115.8202 55.7298 31.2291 175.1912 69 G 3.7659 7.9921 106.3434 42.9159 0.0000 171.3544 70 P 4.5860 0.0000 0.0000 63.2409 31.7349 175.8742 71 V 4.5151 8.6858 123.2956 60.9715 33.7355 175.0083 72 I 4.5360 8.4090 121.1926 60.2053 38.8702 175.8105 73 Q 4.0574 8.7303 122.5751 56.8371 29.1456 176.6966 74 M 4.0498 8.7160 121.9277 57.3419 33.0166 176.4693 75 Y 4.9140 7.4240 114.2223 56.5473 42.8622 175.1900 76 T 4.7388 8.5852 118.5793 62.5455 72.2788 173.2741 77 N 4.7249 9.8212 127.1858 51.0390 39.6967 174.7065 78 V 3.0080 7.9981 124.6356 65.3433 32.1659 178.0880 79 D 4.2400 8.0153 118.3071 57.5026 40.6940 177.1492 80 Q 4.1579 8.5255 114.9513 55.3356 29.1040 175.1023 81 D 4.4718 7.7953 117.2413 55.4141 40.3935 172.3041 82 L 5.4488 8.3598 118.3514 53.3130 45.7091 175.5324 83 V 5.0447 8.8912 117.2681 60.0524 36.6624 174.4170 84 G 3.9340 8.6160 108.7837 44.5676 0.0000 171.6791 85 W 5.3224 8.7307 121.4375 53.4795 33.6928 173.0136 86 P 4.7090 0.0000 0.0000 62.1913 31.5206 176.7231 87 A 4.1474 8.3918 125.6155 52.0862 19.1444 176.1855 88 P 4.5247 0.0000 0.0000 61.4152 32.9395 175.5438 89 Q 4.1124 8.1912 117.4728 57.3034 29.2161 177.1226 90 G 3.8834 8.9668 108.8931 45.5887 0.0000 172.7403 91 S 5.3367 7.3230 112.2069 56.4480 65.9594 173.3504 92 R 4.7315 8.6668 119.4115 54.8632 33.7068 173.8161 93 S 5.1749 8.6610 120.5900 57.5622 64.2948 173.3975 94 L 4.5011 9.0424 126.4244 54.4403 43.8023 175.7747 95 T 4.3778 8.3008 122.0309 62.7093 69.7397 172.4852 96 P 4.8096 0.0000 0.0000 62.3687 32.3652 175.7603 97 C 4.4933 8.7883 124.5332 59.5532 32.0281 173.3688 98 T 4.6644 8.5236 113.5564 61.3371 69.3269 173.9941 99 C 4.2805 8.1572 117.3721 58.0745 30.6136 175.1006 100 G 3.9254 8.3133 107.4279 45.9696 0.0000 173.6624 101 S 4.2414 7.3392 113.8045 58.7264 62.9301 174.1487 102 S 4.6399 8.4948 118.5978 58.4438 64.4974 173.3443 103 D 4.8118 8.1715 121.1046 53.3031 40.7783 175.9554 104 L 4.7620 8.5439 124.1651 53.1798 45.3561 175.7592 105 Y 5.0052 8.5805 117.5754 56.7311 42.0901 174.1937 106 L 4.7486 9.0474 128.0571 53.9916 43.8893 175.2336 107 V 4.8406 8.2167 126.7609 61.6213 32.9250 175.6603 108 T 4.5350 8.5830 119.0053 60.1882 70.7409 175.9311 109 R 3.9684 8.6593 117.9711 58.5265 29.3797 177.0758 110 H 4.5287 7.9087 114.1004 55.1907 29.0832 174.8729 111 A 3.7429 8.1840 121.5775 52.8538 16.5844 177.9205 112 D 4.7307 7.7292 117.9645 55.2437 42.5572 175.6614 113 V 4.7206 8.3523 121.0026 61.3350 33.6639 174.6581 114 I 4.5307 8.8708 129.5644 58.8666 39.3713 173.4640 115 P 4.6928 0.0000 0.0000 62.4892 32.6737 175.7805 116 V 4.7235 8.4725 123.6234 61.0865 35.4271 173.7866 117 R 4.8268 8.9333 128.2375 54.5448 31.6654 175.2591 118 R 4.3558 9.0326 128.3895 56.8349 30.0361 176.3555 119 R 4.4640 8.7875 125.0483 56.2781 31.8013 175.5693 120 G 3.9846 7.5837 104.7673 45.1619 0.0000 173.2694 121 D 4.4651 9.0848 118.9472 57.3031 40.7966 178.8967 122 S 3.4430 7.5539 112.0854 57.2370 64.2837 173.0163 123 R 5.0982 7.6725 119.1513 55.8470 33.8596 173.7988 124 G 4.7444 9.0459 110.5862 45.0469 0.0000 171.5607 125 S 5.3610 8.8334 117.6012 55.9429 65.5407 173.6209 126 L 4.4589 8.4090 123.8713 54.9365 41.4349 177.5565 127 L 4.1415 8.5344 123.4492 57.1670 42.4186 177.4582 128 S 4.4493 7.8096 113.4764 55.6850 65.0012 171.7425 129 P 4.6142 0.0000 0.0000 63.3083 31.9688 176.0332 130 R 4.7202 8.6953 119.5923 53.5156 34.9637 173.1849 131 P 4.6643 0.0000 0.0000 62.6301 32.2590 177.3887 132 I 3.7452 8.8466 123.5592 64.5649 37.6719 178.4818 133 S 4.2454 8.2377 114.4290 61.7188 62.3904 175.7716 134 Y 4.1591 8.1469 122.2568 59.8256 38.8850 176.4285 135 L 4.4285 8.0662 118.3269 54.4319 42.9117 176.3681 136 K 4.0648 7.4533 120.8112 58.1433 32.5591 176.6583 137 G 4.0601 9.2072 113.1304 46.5154 0.0000 174.3782 138 S 4.7070 8.0648 114.3151 57.9288 64.1124 174.2482 139 A 4.1476 8.0432 124.5946 53.9132 18.3829 178.2311 140 G 4.6580 8.7610 111.0120 46.2287 0.0000 174.1675 141 G 4.1425 8.4150 107.5440 45.4921 0.0000 171.0288 142 P 5.3849 0.0000 0.0000 61.4964 34.2783 174.4990 143 L 4.9345 8.6601 121.3680 53.2569 43.7191 175.8656 144 L 5.2219 9.2503 124.9699 53.4182 44.7868 176.2354 145 C 5.1321 8.5845 116.8584 56.4432 31.9145 172.6698 146 P 4.2214 0.0000 0.0000 65.4398 30.8568 177.4054 147 A 4.1352 7.9498 118.5173 52.0436 18.7556 177.8634 148 G 3.9168 8.2557 104.3963 45.9285 0.0000 173.6757 149 H 4.7922 7.7174 116.1605 54.0254 30.3253 174.4127 150 A 4.4669 8.9220 125.7663 52.3049 18.4894 178.7596 151 V 3.7610 8.8564 123.9538 64.0491 32.4211 175.7346 152 G 4.0934 6.8184 106.4749 45.6176 0.0000 170.6889 153 L 5.1696 8.0828 119.1556 52.3312 44.4996 176.4651 154 F 4.7415 9.6803 126.8936 59.4991 39.7799 174.7637 155 R 4.1477 8.9592 126.4082 57.5713 31.1589 176.0798 156 A 4.2712 7.1284 117.3989 50.4874 22.4540 175.1062 157 A 4.6219 8.7866 123.2518 51.9401 20.0340 177.5378 158 V 4.1637 9.1051 122.3593 61.8368 32.5446 174.5932 159 C 5.1565 8.6096 125.4244 58.2656 30.5337 174.1483 160 T 4.3745 8.4448 118.8962 62.5070 70.6613 174.7456 161 R 3.8973 9.8033 128.6175 57.2726 27.7338 177.5178 162 G 3.9366 8.1798 103.7407 45.3097 0.0000 172.4300 163 V 4.5411 7.6924 119.9405 60.6222 33.6007 173.9827 164 A 4.8227 9.3008 130.0428 51.6333 19.1874 177.4806 165 K 4.5834 8.8974 120.7448 56.7106 35.2789 175.6581 166 A 5.1732 7.7097 120.2227 51.1439 23.3996 174.9378 167 V 5.0923 9.1447 111.0349 60.3525 36.5490 174.6153 168 D 5.4020 9.9064 124.7261 53.2607 42.8702 175.5980 169 F 5.5086 8.3804 115.9784 55.7243 41.7556 173.8061 170 I 4.2885 8.9762 121.5845 59.1901 38.3915 174.1457 171 P 5.0009 0.0000 0.0000 62.4362 32.1443 177.9788 172 V 3.5045 8.4456 115.5202 64.6875 31.3148 178.6834 173 E 4.0626 8.2605 117.7415 59.8521 29.1915 179.1008 174 N 4.2826 8.1246 116.1416 56.0653 38.5081 177.5319 175 L 3.1572 7.3043 119.8745 57.5266 41.6910 179.1623 176 E 3.9176 8.0496 118.4934 59.5994 29.3184 179.5822 177 T 3.8103 8.1452 116.0355 67.0270 68.3437 176.5603 178 T 3.8532 7.7879 116.4489 67.0454 68.5303 176.1952 179 M 3.8942 7.6391 119.0378 58.5626 32.1509 178.5503 180 R 4.0907 7.8447 116.6336 59.4319 30.2501 178.7884 181 S 4.2713 8.0740 114.3310 61.4285 63.0505 174.8058 *182 G 3.7279 7.9130 112.6872 45.7713 0.0000 172.3336 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 28 Q 8.34 4.32 0.00 2.09 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.87 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 29 V 8.40 3.61 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 0.92 0.00 0.00 0.93 0.00 0.00 30 E 8.80 4.93 0.00 1.86 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.44 0.00 31 G 8.50 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 0.00 0.00 0.00 0.00 32 E 8.84 5.15 0.00 2.02 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 2.41 2.36 0.00 33 V 7.78 4.89 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 0.91 0.00 0.00 0.98 0.00 0.00 34 Q 9.19 4.70 0.00 2.03 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.62 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 35 I 8.26 4.43 1.82 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 1.31 0.49 0.85 0.00 0.00 36 V 8.16 4.48 1.70 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 0.55 0.00 0.00 0.18 0.00 0.00 37 S 7.94 4.87 0.00 3.92 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 38 T 8.97 4.68 4.32 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 1.47 0.00 0.00 39 A 8.63 4.15 1.32 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 0.00 0.00 40 T 7.36 4.46 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 1.23 0.00 0.00 41 Q 8.24 4.70 0.00 2.38 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.79 0.00 0.00 0.00 0.00 0.00 2.31 2.48 0.00 42 T 8.38 5.10 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 1.27 0.00 0.00 43 F 8.60 5.75 0.00 3.34 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 L 9.29 5.48 0.00 1.85 1.65 1.02 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 45 A 9.09 5.37 1.45 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 0.00 0.00 46 T 9.27 5.12 4.41 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 1.31 0.00 0.00 47 C 9.26 5.20 0.00 3.10 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 48 I 8.99 4.93 2.16 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.37 1.04 0.00 0.00 49 N 9.07 4.46 0.00 3.08 2.99 0.00 0.00 7.09 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 G 8.76 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 51 V 7.61 4.63 1.70 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 -0.30 0.00 0.00 0.97 0.00 0.00 52 C 9.06 4.96 0.00 3.09 3.11 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 53 W 9.34 5.46 0.00 3.32 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 54 T 8.79 4.81 4.62 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 1.52 0.00 0.00 55 V 8.36 4.60 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 0.61 0.00 0.00 0.52 0.00 0.00 56 Y 8.69 3.98 0.00 3.07 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 H 8.87 4.50 0.00 3.25 3.42 0.00 5.59 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 G 7.15 2.86 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 0.00 0.00 0.00 59 A 8.02 4.55 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 0.00 0.00 0.00 0.00 0.00 60 G 8.20 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 0.00 0.00 0.00 61 T 8.34 4.48 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 62 R 7.61 4.09 0.00 2.17 2.07 0.00 3.38 0.00 0.00 3.36 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 63 T 8.26 4.80 4.48 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 0.00 0.00 1.28 0.00 0.00 64 I 8.23 4.07 0.56 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.95 0.41 0.00 0.00 65 A 8.21 4.52 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 66 S 7.96 4.49 0.00 3.87 3.83 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 67 P 0.00 4.29 0.00 2.03 2.13 0.00 3.60 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.07 0.00 68 K 7.61 4.28 0.00 1.73 1.79 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.33 7.81 69 G 7.99 3.77 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 0.00 70 P 0.00 4.59 0.00 2.08 2.06 0.00 3.70 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 71 V 8.69 4.52 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 1.09 0.00 0.00 0.92 0.00 0.00 72 I 8.41 4.54 1.92 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 1.36 0.72 0.94 0.00 0.00 73 Q 8.73 4.06 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.07 0.00 0.00 0.00 0.00 0.00 1.57 2.53 0.00 74 M 8.72 4.05 0.00 0.85 1.73 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.28 0.00 75 Y 7.42 4.91 0.00 2.85 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 76 T 8.59 4.74 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 1.35 0.00 0.00 77 N 9.82 4.72 0.00 2.71 2.65 0.00 0.00 6.43 6.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 V 8.00 3.01 1.78 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 0.46 0.00 0.00 0.24 0.00 0.00 79 D 8.02 4.24 0.00 2.77 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 80 Q 8.53 4.16 0.00 2.08 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.77 0.00 0.00 0.00 0.00 0.00 2.31 2.23 0.00 81 D 7.80 4.47 0.00 2.93 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 82 L 8.36 5.45 0.00 1.84 1.45 0.99 0.59 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 83 V 8.89 5.04 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 0.78 0.00 0.00 0.38 0.00 0.00 84 G 8.62 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 85 W 8.73 5.32 0.00 3.25 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 86 P 0.00 4.71 0.00 1.94 1.98 0.00 3.82 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 87 A 8.39 4.15 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 88 P 0.00 4.52 0.00 2.17 2.11 0.00 3.71 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 2.03 1.92 0.00 89 Q 8.19 4.11 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.10 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 90 G 8.97 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 91 S 7.32 5.34 0.00 3.95 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 92 R 8.67 4.73 0.00 1.88 1.75 0.00 3.09 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.86 0.00 93 S 8.66 5.17 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 94 L 9.04 4.50 0.00 1.77 1.71 1.03 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 95 T 8.30 4.38 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 1.08 0.00 0.00 96 P 0.00 4.81 0.00 1.93 1.96 0.00 3.67 0.00 0.00 3.73 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 97 C 8.79 4.49 0.00 2.99 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 98 T 8.52 4.66 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 99 C 8.16 4.28 0.00 3.12 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 0.00 100 G 8.31 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 0.00 101 S 7.34 4.24 0.00 3.90 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 S 8.49 4.64 0.00 3.78 3.83 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 0.00 103 D 8.17 4.81 0.00 2.57 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 0.00 104 L 8.54 4.76 0.00 1.36 1.33 0.65 0.58 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 0.00 105 Y 8.58 5.01 0.00 2.84 2.82 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 0.00 106 L 9.05 4.75 0.00 1.59 1.40 0.61 0.01 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 0.00 107 V 8.22 4.84 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 0.84 0.00 0.00 0.95 0.00 0.00 108 T 8.58 4.54 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 1.04 0.00 0.00 109 R 8.66 3.97 0.00 1.86 2.22 0.00 3.11 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.10 0.00 110 H 7.91 4.53 0.00 3.20 3.31 0.00 5.79 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 A 8.18 3.74 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 0.00 112 D 7.73 4.73 0.00 2.46 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 0.00 113 V 8.35 4.72 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 0.89 0.00 0.00 0.93 0.00 0.00 114 I 8.87 4.53 1.85 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.74 0.93 0.00 0.00 115 P 0.00 4.69 0.00 2.07 1.98 0.00 3.59 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.31 0.00 116 V 8.47 4.72 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 0.85 0.00 0.00 0.92 0.00 0.00 117 R 8.93 4.83 0.00 1.87 1.75 0.00 3.30 0.00 0.00 3.06 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 118 R 9.03 4.36 0.00 1.83 1.85 0.00 3.36 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.89 0.00 119 R 8.79 4.46 0.00 1.80 1.94 0.00 3.42 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.70 0.00 120 G 7.58 3.98 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 0.00 121 D 9.08 4.47 0.00 2.58 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 0.00 122 S 7.55 3.44 0.00 3.67 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 R 7.67 5.10 0.00 1.79 1.68 0.00 3.18 0.00 0.00 3.49 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 124 G 9.05 4.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 S 8.83 5.36 0.00 3.89 3.98 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 L 8.41 4.46 0.00 1.66 1.77 0.92 0.92 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 0.00 127 L 8.53 4.14 0.00 1.54 1.72 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 128 S 7.81 4.45 0.00 3.77 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 0.00 129 P 0.00 4.61 0.00 1.92 2.08 0.00 3.60 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.14 0.00 130 R 8.70 4.72 0.00 1.75 1.70 0.00 2.33 0.00 0.00 2.84 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.77 0.00 131 P 0.00 4.66 0.00 2.12 1.99 0.00 3.49 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 2.08 2.06 0.00 132 I 8.85 3.75 2.05 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.96 0.00 0.00 133 S 8.24 4.25 0.00 4.16 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 0.00 134 Y 8.15 4.16 0.00 2.95 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 0.00 135 L 8.07 4.43 0.00 1.94 1.85 1.09 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 136 K 7.45 4.06 0.00 1.74 1.97 0.00 1.80 0.00 0.00 1.77 0.00 0.00 3.17 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.52 7.81 137 G 9.21 4.06 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 0.00 0.00 0.00 138 S 8.06 4.71 0.00 4.29 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 0.00 139 A 8.04 4.15 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 0.00 140 G 8.76 4.66 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 0.00 141 G 8.42 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 0.00 0.00 0.00 0.00 142 P 0.00 5.38 0.00 2.15 2.22 0.00 3.71 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.03 0.00 143 L 8.66 4.93 0.00 1.44 1.28 0.94 0.50 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 0.00 144 L 9.25 5.22 0.00 1.66 1.61 0.94 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 145 C 8.58 5.13 0.00 3.01 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 0.00 146 P 0.00 4.22 0.00 2.09 2.23 0.00 3.71 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.24 0.00 147 A 7.95 4.14 1.07 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 0.00 0.00 148 G 8.26 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 0.00 149 H 7.72 4.79 0.00 3.20 3.43 0.00 5.64 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 A 8.92 4.47 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 0.00 151 V 8.86 3.76 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 0.82 0.00 0.00 0.88 0.00 0.00 152 G 6.82 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 0.00 153 L 8.08 5.17 0.00 1.63 1.65 0.96 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 154 F 9.68 4.74 0.00 3.03 3.05 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 0.00 155 R 8.96 4.15 0.00 1.85 1.91 0.00 3.30 0.00 0.00 3.19 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 156 A 7.13 4.27 1.09 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 0.00 157 A 8.79 4.62 1.45 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 0.00 0.00 158 V 9.11 4.16 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 0.97 0.00 0.00 0.98 0.00 0.00 159 C 8.61 5.16 0.00 3.01 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 T 8.44 4.37 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 1.22 0.00 0.00 161 R 9.80 3.90 0.00 1.90 1.95 0.00 3.25 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 162 G 8.18 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 V 7.69 4.54 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.94 0.00 0.00 164 A 9.30 4.82 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 0.00 165 K 8.90 4.58 0.00 1.73 1.83 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.82 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.51 7.81 166 A 7.71 5.17 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 0.00 167 V 9.14 5.09 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 0.87 0.00 0.00 1.16 0.00 0.00 168 D 9.91 5.40 0.00 2.75 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 0.00 169 F 8.38 5.51 0.00 3.09 3.11 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 0.00 170 I 8.98 4.29 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.77 0.82 0.00 0.00 171 P 0.00 5.00 0.00 2.18 2.06 0.00 3.55 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.24 0.00 172 V 8.45 3.50 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 0.77 0.00 0.00 1.04 0.00 0.00 173 E 8.26 4.06 0.00 2.01 1.98 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 2.39 2.46 0.00 174 N 8.12 4.28 0.00 2.87 2.88 0.00 0.00 7.04 6.69 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 0.00 175 L 7.30 3.16 0.00 1.51 0.98 0.40 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 176 E 8.05 3.92 0.00 2.11 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 2.31 2.28 0.00 177 T 8.15 3.81 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 178 T 7.79 3.85 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 1.28 0.00 0.00 179 M 7.64 3.89 0.00 2.04 2.26 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.36 0.00 180 R 7.84 4.09 0.00 1.96 2.03 0.00 3.19 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.85 0.00 181 S 8.07 4.27 0.00 4.04 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 *182 G 7.91 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 * Residues marked with a * may have inaccurate shift predictions.