NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.5947 8.2227 120.3147 53.3427 40.7556 175.9879 3 Q 3.6364 8.8074 125.1325 58.8655 29.3780 175.1334 4 E 3.9198 8.2637 120.1791 59.3488 29.8542 177.8949 5 T 4.0660 7.8016 109.9024 64.4882 68.8903 175.9211 6 V 3.6881 7.8112 121.1464 65.7119 31.3098 178.3204 7 G 3.6151 8.2390 105.2718 47.7789 0.0000 176.9269 8 N 4.9942 7.7712 117.8369 51.9565 37.9854 177.0309 9 V 4.4906 8.7221 111.3271 61.3005 38.8657 177.0092 10 V 3.5613 7.8994 119.6326 66.1598 31.1725 177.7975 11 L 3.9182 7.9359 117.8266 57.8458 41.5022 179.3540 12 L 3.4065 7.6864 117.8765 57.5130 41.3662 179.0401 13 A 4.2408 8.2803 120.7667 55.9286 18.3058 179.0687 14 I 3.6110 8.3620 117.9987 64.9539 37.1417 178.4974 15 V 3.5783 8.3195 119.5196 65.6988 31.0839 178.6420 16 T 3.9478 8.2527 117.8235 65.7452 68.2621 176.6709 17 L 4.0707 8.6128 121.2917 57.8074 41.5307 179.4001 18 I 3.7119 8.1285 120.4988 64.4751 36.5994 178.4227 19 S 4.0593 8.4219 115.3528 61.5261 62.3049 177.1024 20 V 3.4916 7.5467 121.9846 64.5538 31.4533 178.3780 21 V 3.7118 7.8530 119.4300 65.6717 31.5118 177.8006 22 Q 4.2081 8.4079 117.8251 59.7346 27.9713 178.4760 23 N 3.7936 7.9094 117.7328 55.5576 38.5274 177.4018 24 G 3.7317 8.3030 107.7911 47.6221 0.0000 175.4730 25 F 4.4858 8.4187 123.1018 61.3015 39.0644 176.7346 26 F 4.1424 8.8128 117.0652 60.8377 38.5240 177.3895 27 A 4.2762 7.7060 117.7995 54.2127 18.4775 178.7613 28 H 4.3926 8.7272 117.9976 59.2674 30.1083 177.5100 29 K 4.1721 8.3701 119.8043 59.3094 31.5034 179.2858 30 V 3.7270 7.6614 117.2868 65.3779 31.4629 177.7566 31 E 4.0779 7.9670 119.3935 59.3274 29.5175 178.1342 32 H 4.2711 8.2506 115.8539 59.3145 28.8858 177.4870 33 E 4.1802 8.0273 118.6829 59.3420 28.9124 179.2334 34 S 4.3424 8.2525 111.8256 60.6914 62.1683 176.4799 35 R 4.7582 7.9099 121.8439 59.0542 30.1662 178.5950 36 T 4.2374 7.7478 107.9043 63.2315 69.2588 173.8622 37 Q 4.3250 7.7804 119.7337 53.7109 29.6465 172.9743 38 N 4.9542 8.8740 119.1955 49.9628 39.8855 173.3706 39 G 4.0120 8.6343 117.7690 44.4183 0.0000 172.7773 40 R 3.7494 7.8984 123.3006 57.3446 30.9790 176.1289 41 S 4.1080 9.2742 109.7797 58.7172 63.0579 173.7013 42 F 5.0093 8.2482 124.1533 57.3616 42.4741 170.5390 43 Q 3.7974 9.4657 132.1170 56.9061 28.7728 172.8306 44 R 4.3983 9.2471 122.4365 55.7222 28.9077 175.1931 45 T 4.6357 8.1447 103.7854 60.2522 71.7257 172.5041 46 G 4.1706 9.1385 108.9072 43.5704 0.0000 174.2208 47 T 4.0099 8.4993 116.5893 63.6401 69.5877 175.3163 48 L 3.9966 8.5673 123.5322 58.0573 41.7249 179.5346 49 A 4.2641 8.1305 120.0644 55.3879 18.2765 179.2436 50 F 3.8984 8.2721 118.3867 61.4796 39.4749 176.8118 51 E 4.1584 8.8101 119.4474 59.1714 29.4812 178.6958 52 R 3.6169 9.4168 119.1003 59.1763 30.0810 178.7706 53 V 3.5207 8.3747 118.7614 66.2510 31.6030 177.2421 54 Y 4.0322 8.1174 119.5957 60.9748 38.2375 178.4162 55 T 3.7942 7.8452 115.4147 66.5083 68.5957 175.9757 56 A 4.7482 7.6888 122.5826 55.4717 18.3877 179.1798 57 N 3.8333 8.1765 115.5565 56.6902 38.8590 176.7766 58 Q 4.1101 7.8461 115.8368 57.1117 28.9765 176.3127 59 N 4.8447 8.1707 117.8649 54.8978 40.2583 176.5147 60 C 4.1127 7.5385 117.1937 61.8236 28.0512 176.1723 61 V 3.5672 7.5090 119.4836 65.6188 31.3391 176.5628 62 D 4.5230 7.5699 117.2947 55.9212 41.3397 177.9142 63 A 4.3566 8.0494 121.1297 55.3088 19.1895 178.6689 64 Y 4.5137 7.8904 118.1417 60.8680 38.9400 176.0697 65 P 4.1224 0.0000 0.0000 66.7771 30.8862 177.8077 66 T 3.8847 8.0204 115.3895 66.3374 68.5320 175.5234 67 F 4.6461 8.7005 123.1200 60.5294 39.4106 176.8233 68 L 3.3098 8.6023 118.8594 57.9725 41.5248 179.4539 69 A 3.9919 8.2473 120.5161 55.4690 18.2628 180.0438 70 V 3.5858 7.8185 109.9616 64.3493 31.8151 178.2332 71 L 3.8516 8.4966 120.3059 58.3600 41.8071 179.2628 72 W 3.8827 8.4813 118.5740 59.8307 29.0137 178.5836 73 S 4.1567 8.3459 114.9899 61.8746 61.8528 176.8858 74 A 4.0544 8.3814 123.6178 55.0284 17.9026 179.8626 75 G 3.4951 7.7854 102.8113 46.7579 0.0000 175.1433 76 L 4.4893 7.6506 119.8648 56.7831 43.0282 178.6773 77 L 4.2546 8.4016 119.0978 55.6006 41.2513 176.6819 78 C 5.1622 7.3626 111.5607 59.4504 33.1129 171.7353 79 S 4.5537 9.1515 124.6012 54.7341 59.1137 168.2908 80 Q 4.3672 9.2430 119.5964 56.0067 28.7318 175.1822 81 V 3.6633 7.5863 116.8646 64.3159 31.7333 176.2190 82 P 4.2297 0.0000 0.0000 64.8181 31.3033 178.2520 83 A 3.7261 7.5451 117.7230 55.2782 18.0009 179.5915 84 A 3.7765 7.6089 117.9656 55.0086 18.6778 179.4485 85 F 4.0515 8.4834 119.2938 61.1990 39.3080 177.0530 86 A 4.1506 8.6005 119.7626 55.5084 18.4055 179.5865 87 G 3.9078 8.1375 103.8827 47.6582 0.0000 175.7568 88 L 3.9484 7.3159 119.7234 55.5357 41.7652 177.9857 *90 Y 4.5863 7.7970 118.4310 57.1279 40.5973 176.7921 91 L 3.9607 7.7631 119.5116 58.0064 41.4951 179.9431 92 F 4.5856 8.0390 117.5948 60.7342 39.1245 178.1069 93 V 3.8184 8.1571 117.2238 65.9858 31.1424 178.1987 94 R 4.6161 8.9656 118.4952 59.4860 29.8672 178.3471 95 Q 4.2146 8.2736 118.9691 59.3534 29.0743 178.2141 96 K 3.8822 8.6381 119.6278 59.9626 32.2109 178.6047 97 Y 4.0628 8.3440 119.2448 60.7423 38.5557 177.1649 98 F 4.4972 8.5541 120.6600 61.6506 39.5828 177.1129 99 V 3.5327 8.6154 117.9564 65.9379 31.2592 178.1716 100 G 3.8553 8.3454 103.6729 46.8257 0.0000 173.6634 101 Y 5.0250 7.9197 120.3710 57.0894 40.1991 175.0499 102 L 4.8758 8.1233 119.5045 53.6216 42.7612 174.7251 103 G 3.8649 7.3600 117.2331 45.5657 0.0000 171.9647 104 E 4.5082 8.8884 125.6057 55.0883 29.9230 176.4416 105 R 3.9941 8.4409 109.8383 56.4608 28.5295 176.2625 106 T 3.8731 7.2562 114.3979 65.6917 68.7941 173.7128 107 Q 3.6504 8.8222 121.3841 57.6809 26.2755 174.3221 108 S 4.6769 8.6077 114.8579 56.9046 58.8780 171.0140 109 T 4.0712 7.8319 113.8404 61.5362 70.5411 169.9061 110 P 4.3377 0.0000 0.0000 61.5360 32.8578 175.3604 111 G 3.9935 7.5729 108.9326 43.7629 0.0000 173.3865 112 Y 4.5850 8.3272 118.1566 57.6565 38.2761 175.1731 113 I 4.3406 7.7620 119.1908 58.7822 39.6661 174.9285 114 F 4.0539 8.6303 127.8331 57.3751 38.5843 176.4339 115 G 3.5941 8.4957 110.7664 46.3520 0.0000 173.5148 116 K 4.1266 7.6156 129.6644 56.8330 32.0650 179.0394 117 R 3.8575 7.8504 116.2590 59.9248 29.5930 178.6417 118 I 3.7142 7.7401 119.9713 64.3156 37.1419 178.2167 119 I 3.9016 7.0949 111.2447 63.3562 37.3606 177.6863 120 L 3.9050 7.8196 121.8486 58.1045 42.1238 178.5649 121 F 4.5406 8.9164 120.5500 61.6512 39.2374 176.9261 122 L 3.7547 7.7087 117.1921 57.9193 41.5659 179.2014 123 F 4.3044 8.9484 120.9716 60.8791 39.2772 177.6418 124 L 4.5581 8.3268 118.4252 54.9605 41.5191 179.5003 *126 S 4.3188 8.0844 116.1482 58.6319 64.7275 176.8201 127 V 3.5621 7.6707 119.6070 64.5607 30.8519 176.8707 128 A 4.3913 8.6212 123.8078 53.8224 17.9588 179.1360 129 G 4.3597 8.1579 104.3378 46.5833 0.0000 174.8093 130 I 3.6237 7.9500 120.7056 63.6896 37.7019 177.5419 131 F 4.0873 7.6289 120.4728 60.7790 39.7264 177.0305 132 N 3.5755 8.6833 116.9691 57.2378 38.4612 175.0423 133 Y 4.1456 8.6027 121.5852 60.2013 38.6100 177.6805 134 Y 4.0862 7.4773 117.6879 61.0998 38.0686 179.2564 135 L 3.3241 7.2971 120.0314 57.6552 41.5460 179.2562 136 I 3.7437 7.3074 118.1369 65.2056 37.1715 177.6109 137 F 4.6332 8.7560 120.8775 61.0683 39.2613 176.4312 138 F 3.8869 8.2684 119.7746 60.0598 39.5132 176.6182 139 F 5.3411 8.2501 117.6911 57.3174 38.9649 176.5597 140 G 4.0628 7.9484 105.4156 46.4607 0.0000 175.3134 141 S 4.3209 7.7762 115.2455 57.9967 62.7977 173.7737 142 D 4.8243 7.6615 117.6899 54.0653 39.5835 176.4278 143 F 4.3634 8.5254 110.9232 58.3446 37.6394 175.3741 144 E 3.5703 8.5162 113.6870 57.4008 28.4890 174.7157 145 N 4.2366 8.9980 124.4264 54.0480 39.3409 173.0799 146 Y 4.6987 8.2303 123.3467 55.5258 39.6291 175.3321 147 I 4.0390 8.2769 122.4818 59.6970 38.8962 176.6780 148 A 3.5685 7.8893 122.3894 53.5669 17.9031 177.2662 149 T 4.2329 8.2827 110.0474 64.1963 69.4294 173.8214 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 D 8.22 4.59 0.00 2.91 2.88 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 3 Q 8.81 3.64 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.04 0.00 0.00 0.00 0.00 0.00 2.35 2.54 0.00 4 E 8.26 3.92 0.00 2.03 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 2.38 2.32 0.00 5 T 7.80 4.07 4.24 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 0.00 0.00 0.00 1.36 0.00 0.00 6 V 7.81 3.69 2.29 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 1.01 0.00 0.00 0.95 0.00 0.00 7 G 8.24 3.62 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 0.00 0.00 0.00 8 N 7.77 4.99 0.00 2.79 2.84 0.00 0.00 6.35 9.03 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 9 V 8.72 4.49 2.37 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 0.77 0.00 0.00 1.11 0.00 0.00 10 V 7.90 3.56 2.22 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 1.03 0.00 0.00 0.97 0.00 0.00 11 L 7.94 3.92 0.00 1.60 1.65 0.91 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.69 3.41 0.00 1.28 0.13 0.48 0.22 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 13 A 8.28 4.24 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 I 8.36 3.61 2.07 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 1.58 0.51 0.90 0.00 0.00 15 V 8.32 3.58 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 0.64 0.00 0.00 0.86 0.00 0.00 16 T 8.25 3.95 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 1.35 0.00 0.00 17 L 8.61 4.07 0.00 1.94 1.74 0.94 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 18 I 8.13 3.71 2.06 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 1.61 0.56 0.94 0.00 0.00 19 S 8.42 4.06 0.00 4.03 4.22 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 20 V 7.55 3.49 2.32 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 0.79 0.00 0.00 0.96 0.00 0.00 21 V 7.85 3.71 2.31 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 1.17 0.00 0.00 0.95 0.00 0.00 22 Q 8.41 4.21 0.00 2.43 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.55 0.00 0.00 0.00 0.00 0.00 2.07 1.73 0.00 23 N 7.91 3.79 0.00 2.48 2.60 0.00 0.00 7.02 7.19 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 24 G 8.30 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 25 F 8.42 4.49 0.00 3.07 3.43 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 26 F 8.81 4.14 0.00 2.99 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 27 A 7.71 4.28 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 28 H 8.73 4.39 0.00 3.48 3.77 0.00 5.79 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 29 K 8.37 4.17 0.00 2.12 1.97 0.00 1.75 0.00 0.00 2.10 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 2.06 1.67 7.81 30 V 7.66 3.73 2.12 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 1.01 0.00 0.00 0.94 0.00 0.00 31 E 7.97 4.08 0.00 2.25 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 2.32 2.42 0.00 32 H 8.25 4.27 0.00 3.34 3.38 0.00 5.69 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 33 E 8.03 4.18 0.00 2.32 2.41 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 2.56 2.54 0.00 34 S 8.25 4.34 0.00 4.41 4.19 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 0.00 0.00 0.00 35 R 7.91 4.76 0.00 2.14 1.98 0.00 3.37 0.00 0.00 3.16 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.69 0.00 36 T 7.75 4.24 4.24 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 0.00 0.00 0.00 1.24 0.00 0.00 37 Q 7.78 4.32 0.00 2.02 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.72 0.00 0.00 0.00 0.00 0.00 2.25 2.37 0.00 38 N 8.87 4.95 0.00 2.71 2.70 0.00 0.00 7.50 7.58 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 39 G 8.63 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 40 R 7.90 3.75 0.00 1.73 1.96 0.00 3.24 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 41 S 9.27 4.11 0.00 4.01 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 42 F 8.25 5.01 0.00 2.78 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 43 Q 9.47 3.80 0.00 1.79 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 5.98 0.00 0.00 0.00 0.00 0.00 2.17 2.06 0.00 44 R 9.25 4.40 0.00 1.94 1.93 0.00 3.07 0.00 0.00 3.57 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 45 T 8.14 4.64 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 46 G 9.14 4.17 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 0.00 47 T 8.50 4.01 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 1.29 0.00 0.00 48 L 8.57 4.00 0.00 1.72 1.75 0.94 0.86 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 49 A 8.13 4.26 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 50 F 8.27 3.90 0.00 3.20 3.27 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 51 E 8.81 4.16 0.00 2.30 2.12 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 2.41 2.48 0.00 52 R 9.42 3.62 0.00 2.13 1.77 0.00 3.15 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.52 0.00 53 V 8.37 3.52 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 0.97 0.00 0.00 0.94 0.00 0.00 54 Y 8.12 4.03 0.00 2.50 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 55 T 7.85 3.79 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 1.57 0.00 0.00 56 A 7.69 4.75 1.60 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 0.00 0.00 57 N 8.18 3.83 0.00 2.37 2.73 0.00 0.00 6.93 6.93 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 58 Q 7.85 4.11 0.00 1.10 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.54 0.00 0.00 0.00 0.00 0.00 2.09 2.34 0.00 59 N 8.17 4.84 0.00 3.10 2.85 0.00 0.00 7.04 7.21 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 60 C 7.54 4.11 0.00 2.72 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 61 V 7.51 3.57 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 0.77 0.00 0.00 0.84 0.00 0.00 62 D 7.57 4.52 0.00 2.85 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 A 8.05 4.36 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 64 Y 7.89 4.51 0.00 2.91 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 65 P 0.00 4.12 0.00 2.30 2.23 0.00 3.83 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.12 0.00 66 T 8.02 3.88 4.34 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 1.29 0.00 0.00 67 F 8.70 4.65 0.00 3.36 3.24 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 0.00 0.00 0.00 0.00 68 L 8.60 3.31 0.00 1.43 1.48 0.31 -1.27 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 69 A 8.25 3.99 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 70 V 7.82 3.59 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 0.99 0.00 0.00 1.24 0.00 0.00 71 L 8.50 3.85 0.00 1.61 1.57 0.03 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 72 W 8.48 3.88 0.00 3.42 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 73 S 8.35 4.16 0.00 3.99 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 74 A 8.38 4.05 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 75 G 7.79 3.50 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 0.00 76 L 7.65 4.49 0.00 1.68 1.75 1.06 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 77 L 8.40 4.25 0.00 1.91 1.70 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 78 C 7.36 5.16 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 79 S 9.15 4.55 0.00 4.06 4.24 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 0.00 0.00 0.00 0.00 80 Q 9.24 4.37 0.00 2.20 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.97 0.00 0.00 0.00 0.00 0.00 2.16 2.35 0.00 81 V 7.59 3.66 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 82 P 0.00 4.23 0.00 2.24 2.28 0.00 3.68 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 2.16 2.19 0.00 83 A 7.55 3.73 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 84 A 7.61 3.78 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 85 F 8.48 4.05 0.00 3.07 3.16 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 86 A 8.60 4.15 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 87 G 8.14 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 88 L 7.32 3.95 0.00 1.52 1.23 -0.13 0.32 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 *90 Y 7.80 4.59 0.00 2.63 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 91 L 7.76 3.96 0.00 1.85 1.81 0.79 1.05 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 92 F 8.04 4.59 0.00 3.03 3.07 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 93 V 8.16 3.82 2.38 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 1.19 0.00 0.00 1.08 0.00 0.00 94 R 8.97 4.62 0.00 1.96 2.11 0.00 3.09 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.93 0.00 95 Q 8.27 4.21 0.00 2.55 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.70 0.00 0.00 0.00 0.00 0.00 2.48 2.53 0.00 96 K 8.64 3.88 0.00 2.00 1.96 0.00 1.78 0.00 0.00 1.59 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.54 1.57 7.81 97 Y 8.34 4.06 0.00 2.66 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 98 F 8.55 4.50 0.00 2.78 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 99 V 8.62 3.53 2.26 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 0.99 0.00 0.00 0.81 0.00 0.00 100 G 8.35 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 0.00 0.00 0.00 101 Y 7.92 5.03 0.00 3.43 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 0.00 102 L 8.12 4.88 0.00 1.55 1.46 0.87 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 103 G 7.36 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 0.00 0.00 0.00 104 E 8.89 4.51 0.00 2.03 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 2.27 2.32 0.00 105 R 8.44 3.99 0.00 2.13 2.12 0.00 3.13 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 106 T 7.26 3.87 4.24 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 0.00 0.00 0.00 1.21 0.00 0.00 107 Q 8.82 3.65 0.00 2.19 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.11 0.00 0.00 0.00 0.00 0.00 2.23 2.42 0.00 108 S 8.61 4.68 0.00 3.89 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 0.00 109 T 7.83 4.07 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 110 P 0.00 4.34 0.00 1.44 1.67 0.00 3.72 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 1.60 1.88 0.00 111 G 7.57 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 0.00 0.00 0.00 0.00 112 Y 8.33 4.58 0.00 2.88 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 0.00 113 I 7.76 4.34 1.79 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 1.21 0.80 0.89 0.00 0.00 114 F 8.63 4.05 0.00 3.01 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 0.00 115 G 8.50 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 0.00 116 K 7.62 4.13 0.00 1.77 1.68 0.00 1.67 0.00 0.00 1.83 0.00 0.00 3.19 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.45 7.81 117 R 7.85 3.86 0.00 2.04 2.22 0.00 3.00 0.00 0.00 3.38 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.84 0.00 118 I 7.74 3.71 1.70 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 1.71 0.57 0.55 0.00 0.00 119 I 7.09 3.90 1.95 0.00 0.00 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 1.41 1.11 0.77 0.00 0.00 120 L 7.82 3.91 0.00 1.64 1.91 0.96 0.57 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 0.00 121 F 8.92 4.54 0.00 3.07 3.27 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 0.00 122 L 7.71 3.75 0.00 1.82 1.77 0.57 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 123 F 8.95 4.30 0.00 3.16 3.23 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 0.00 124 L 8.33 4.56 0.00 2.22 1.80 1.28 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 *126 S 8.08 4.32 0.00 3.84 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 0.00 127 V 7.67 3.56 1.73 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 0.94 0.00 0.00 0.91 0.00 0.00 128 A 8.62 4.39 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 0.00 129 G 8.16 4.36 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 0.00 130 I 7.95 3.62 2.01 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.45 0.80 0.00 0.00 131 F 7.63 4.09 0.00 3.17 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 0.00 132 N 8.68 3.58 0.00 2.78 3.03 0.00 0.00 6.91 7.34 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 0.00 133 Y 8.60 4.15 0.00 2.93 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 0.00 134 Y 7.48 4.09 0.00 2.94 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 0.00 135 L 7.30 3.32 0.00 1.54 1.47 0.88 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 136 I 7.31 3.74 2.03 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 1.42 0.60 0.96 0.00 0.00 137 F 8.76 4.63 0.00 3.43 3.24 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 0.00 0.00 0.00 0.00 138 F 8.27 3.89 0.00 2.41 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 0.00 139 F 8.25 5.34 0.00 3.02 3.03 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 0.00 140 G 7.95 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 0.00 141 S 7.78 4.32 0.00 3.75 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 0.00 142 D 7.66 4.82 0.00 2.80 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 0.00 143 F 8.53 4.36 0.00 3.03 3.20 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 0.00 144 E 8.52 3.57 0.00 2.28 2.29 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 2.51 2.35 0.00 145 N 9.00 4.24 0.00 2.79 2.83 0.00 0.00 7.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 Y 8.23 4.70 0.00 3.09 2.91 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 0.00 147 I 8.28 4.04 1.80 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.86 0.88 0.00 0.00 148 A 7.89 3.57 1.40 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 0.00 149 T 8.28 4.23 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 * Residues marked with a * may have inaccurate shift predictions.