NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 P 4.4094 0.0000 0.0000 62.4779 32.7560 177.6958 13 K 4.3905 8.6965 123.0923 56.9025 32.3832 172.6684 14 E 4.4915 8.5822 116.0768 56.2552 31.4405 177.9152 15 L 3.2528 7.7209 121.9794 57.8886 41.3295 179.0057 16 V 3.5147 7.2763 117.0174 66.6598 31.2224 177.5659 17 N 4.4159 7.9835 115.1141 56.1835 38.3577 177.0234 18 E 3.8406 7.7276 120.3064 59.1979 29.7407 178.9452 19 W 4.4825 8.2735 119.3049 59.7361 28.9588 178.5884 20 S 4.2048 8.8003 115.5751 61.8371 62.2843 176.6783 21 L 3.9276 7.7567 121.0049 57.7974 41.3161 179.8971 22 K 3.9892 8.3203 118.2049 59.5217 31.8855 179.0857 23 I 3.6872 7.7387 118.9431 64.8698 37.2319 178.0492 24 R 4.0259 8.5774 118.1715 59.1543 30.0336 178.2684 25 K 4.1362 8.2426 119.6983 59.3176 32.4494 180.7896 26 E 4.3689 8.6772 120.5687 56.1740 29.6216 179.5160 *28 R 4.2470 8.0356 119.3099 56.4164 32.6175 178.4180 29 V 3.5184 7.6090 116.5378 65.9836 31.4483 177.9019 30 V 3.6211 7.7349 117.9265 66.3151 31.1650 177.3611 31 D 4.2784 8.0895 117.7013 57.5148 40.6307 178.6137 32 R 3.8447 8.1732 119.0369 59.6752 30.0691 178.1642 33 Q 3.9629 8.5315 117.8469 59.4184 28.8735 179.4910 34 I 3.6618 7.9868 120.7997 64.2521 36.8579 178.5470 35 R 3.9269 8.2157 120.0190 59.2168 29.8218 178.4753 36 D 4.3453 8.3052 118.9738 57.3925 40.8451 178.4890 37 I 3.6680 7.6702 120.2112 64.7924 37.1653 178.4627 38 Q 3.9960 7.9871 118.3813 59.0596 28.1326 179.0667 39 R 4.8171 7.6583 120.9911 58.6101 30.0533 178.2759 40 E 3.8819 8.1078 119.5462 59.2773 29.6157 178.5326 41 E 3.9937 8.4890 118.9861 59.2196 29.1851 178.8088 42 E 3.9351 8.1701 118.7862 59.7595 29.5146 179.8891 43 K 4.0128 7.5980 117.4625 59.5443 32.1684 179.4267 44 V 3.5506 7.7051 118.5330 66.2155 31.2220 177.7777 45 K 3.8483 8.3021 119.1665 59.7280 31.9227 178.9572 46 R 3.9486 7.6190 116.9112 59.1574 30.0269 178.9598 47 S 4.1240 8.2854 115.2420 61.8088 62.9005 177.0068 48 V 3.7268 8.0510 120.8701 65.7706 31.0762 178.3155 49 K 3.9563 7.7798 118.0573 59.4989 31.9145 178.8318 50 D 4.3311 8.1347 118.7661 57.4898 40.8486 178.6730 51 A 3.9584 8.4444 121.1549 55.2990 18.3502 179.4614 52 A 3.9485 8.0794 118.9443 55.4062 18.2561 180.0029 53 K 3.9654 8.0653 115.8330 59.2514 32.1909 178.7895 54 K 4.3855 8.1251 116.0943 55.8810 32.1882 177.7986 55 G 3.9123 7.9027 107.3271 46.4230 0.0000 176.0231 56 Q 4.2841 7.8952 120.6381 54.4282 26.6830 176.3579 57 K 3.8873 8.3250 124.2101 59.7290 32.4651 178.1716 58 D 4.3713 8.0233 118.3281 57.2154 40.7890 178.8039 59 V 3.6135 7.7522 118.4412 66.0570 31.4635 177.6273 60 C 4.1093 7.8657 115.9677 62.8343 27.8190 175.7274 61 I 3.7577 7.5636 120.1742 65.0592 37.1185 177.9456 62 V 3.6002 7.7752 118.3546 66.0981 31.1357 177.5535 63 L 3.9230 8.2863 117.8245 58.0506 41.5046 179.3376 64 A 3.9872 8.4450 119.5825 55.5865 18.4780 179.4306 65 K 4.0514 8.0735 116.4995 59.4834 32.0424 179.0834 66 E 4.0579 8.1033 116.7987 57.3450 29.6553 178.2664 *68 I 4.0405 7.6245 112.0174 60.6541 39.7631 177.5502 69 R 3.8642 8.2066 121.4482 59.2124 29.7173 178.0726 70 S 4.1022 8.5000 115.0346 61.9523 62.7799 176.7722 71 R 3.9392 7.9672 119.4889 59.6300 29.9861 178.9943 72 K 3.8839 8.4709 118.0935 59.5912 32.0380 179.2188 73 A 3.9737 8.0481 120.8478 55.1081 18.2451 179.8992 74 V 3.4869 8.0222 116.9371 66.3436 31.6258 177.6575 75 S 4.1921 8.5144 113.1837 61.4146 62.1768 175.7533 76 K 3.9026 8.2691 121.8594 59.8796 31.8098 178.5542 77 L 3.9012 7.9318 118.8138 58.1581 41.5246 178.8879 78 Y 4.1497 8.1509 116.3719 61.1624 37.7374 178.4467 79 A 3.9989 8.7060 121.7922 55.6726 18.2062 179.5269 80 S 4.1499 7.9025 111.9017 61.8226 63.1033 176.6797 81 K 4.0130 8.1104 120.6118 59.5189 32.2159 178.1124 82 A 4.2069 8.2567 120.9647 55.5867 18.2843 180.0497 83 H 4.0988 8.0441 112.9833 56.9101 29.5387 176.8572 *85 N 4.6366 8.1546 121.6296 53.7213 40.6720 176.2151 86 S 4.1947 8.5930 112.2807 61.3802 62.6300 175.4531 87 V 3.7023 7.7199 118.5462 65.9742 31.2392 177.5664 88 L 3.9514 7.4095 115.6841 56.2295 41.5561 177.1976 *90 G 3.7425 8.0219 104.1350 44.9819 0.0000 175.1909 *92 K 4.1492 8.0495 121.5597 56.1145 34.0258 177.3058 93 N 4.3483 8.1706 116.1686 56.7325 38.8156 176.2817 94 Q 4.0274 8.5388 119.8585 59.2296 28.8024 178.8986 95 L 3.9379 7.5949 118.3917 58.0253 41.6541 179.6507 96 A 4.0178 7.8326 119.6147 55.3460 18.1363 179.5684 97 V 3.6432 7.9056 116.5335 65.7740 31.1151 177.9729 98 L 4.1443 7.4798 117.6752 57.4608 42.0687 178.3391 99 R 3.9882 8.5082 118.0151 60.0388 29.9036 176.7552 100 V 3.5995 8.4218 118.5647 63.6842 31.5917 176.8309 101 A 4.1417 7.6231 125.6099 50.6778 19.1567 176.7039 102 G 3.8139 7.3197 113.0378 44.5113 0.0000 172.2264 103 S 4.6915 7.5106 113.7805 56.1642 65.9290 172.5244 104 L 4.7289 8.2043 122.2023 53.2260 43.2915 176.2336 105 Q 4.5545 8.0409 118.8959 53.5578 31.4264 175.8255 106 K 4.1394 8.6228 122.0397 56.2542 31.0201 175.2065 107 S 4.2436 8.1746 120.6431 58.8264 63.0150 174.5777 108 T 4.0697 8.4765 124.4182 66.5076 68.4453 176.0214 109 E 4.0653 8.2406 120.9057 59.6968 30.0861 179.0469 110 V 3.8571 7.6622 111.8497 60.7970 30.8241 177.1368 *112 K 4.2625 7.8313 119.4380 56.7893 34.6902 177.1516 113 A 4.2291 7.3985 122.2465 52.4922 18.0947 179.0835 *115 Q 4.2584 8.1883 122.9377 57.4894 30.7074 175.6762 116 S 4.4780 7.8586 109.5229 58.1283 63.4538 174.0040 117 L 4.4534 7.2632 124.0920 56.6443 43.4708 178.1695 118 V 3.9605 7.7942 108.6162 62.1668 31.3910 176.2822 119 K 4.3677 7.5827 118.4764 56.9352 34.1437 176.7355 120 I 3.7469 7.2659 119.8304 60.1463 39.1661 171.9428 121 P 3.8341 0.0000 0.0000 65.8211 31.6406 177.3626 122 E 3.3576 9.4742 115.3624 60.3584 29.3676 179.1272 123 I 3.5993 8.6573 115.9532 61.6099 38.8844 173.2933 124 Q 4.5127 8.1809 126.4923 56.8042 32.4622 175.3614 125 A 4.1103 8.3802 121.8340 55.5343 18.7705 180.7911 126 T 3.9707 7.7180 104.4511 61.9682 67.7319 176.0073 *128 R 4.2477 8.1048 124.3442 57.2137 32.1902 176.9563 129 E 4.0027 8.6218 118.5040 58.9975 29.3217 178.7988 130 L 3.8031 7.6697 117.8442 57.6925 41.9119 178.4810 131 S 4.0117 7.9672 111.4688 61.3919 62.1086 176.0036 132 K 4.0441 7.4323 120.1858 58.8756 33.7905 175.9688 133 E 4.0172 7.6431 121.1484 56.2666 27.6112 177.4975 *136 K 4.1919 7.8587 121.6450 56.2078 34.5319 177.1291 137 A 4.0549 8.1139 120.1644 53.2371 18.6689 176.9498 138 G 3.7846 7.7323 103.9075 46.8473 0.0000 174.1213 139 I 4.5441 7.6615 108.1659 59.9927 38.7646 174.6555 140 I 4.7524 7.1410 119.9050 60.3567 40.6427 172.0554 141 E 4.2825 7.8465 126.0026 56.9243 36.8916 176.5269 *161 A 4.1840 7.5127 119.3299 51.8757 19.8783 177.3451 162 E 4.3393 8.2161 115.7579 56.9735 29.1110 179.4581 *164 E 4.1992 8.4290 120.9910 56.1805 31.2419 177.4535 165 I 3.3193 7.9627 111.6657 63.9591 37.3534 177.3212 166 D 4.6031 7.4903 116.9669 56.7585 40.9209 178.5340 167 R 3.4189 7.7901 116.6702 59.5751 30.2896 178.5664 168 I 3.9428 8.7609 120.1615 64.2641 36.7886 178.3082 169 L 4.3959 7.5766 114.4543 55.6317 40.8411 177.5649 170 F 4.6446 7.9330 120.4938 55.4448 38.3338 174.2804 171 E 4.9257 8.0104 119.3848 55.9741 30.9269 176.8800 172 I 4.0006 7.8278 118.8074 61.3946 37.8171 175.2077 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 12 P 0.00 4.41 0.00 2.01 1.20 0.00 3.52 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.08 0.00 13 K 8.70 4.39 0.00 1.75 1.72 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.31 1.50 7.81 14 E 8.58 4.49 0.00 1.90 1.80 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 2.24 2.24 0.00 15 L 7.72 3.25 0.00 0.45 0.13 0.86 0.59 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 16 V 7.28 3.51 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 0.92 0.00 0.00 0.97 0.00 0.00 17 N 7.98 4.42 0.00 2.81 2.81 0.00 0.00 6.61 7.66 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 18 E 7.73 3.84 0.00 1.85 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 2.32 2.33 0.00 19 W 8.27 4.48 0.00 3.56 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 20 S 8.80 4.20 0.00 4.01 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 L 7.76 3.93 0.00 1.90 1.75 0.94 1.54 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 22 K 8.32 3.99 0.00 2.06 1.91 0.00 1.90 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.56 7.81 23 I 7.74 3.69 2.15 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 0.77 0.94 0.00 0.00 24 R 8.58 4.03 0.00 1.89 2.15 0.00 3.33 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 25 K 8.24 4.14 0.00 2.03 1.98 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.49 7.81 26 E 8.68 4.37 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 2.50 2.51 0.00 *28 R 8.04 4.25 0.00 2.08 2.01 0.00 3.13 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 29 V 7.61 3.52 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 1.03 0.00 0.00 0.98 0.00 0.00 30 V 7.73 3.62 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 0.94 0.00 0.00 0.90 0.00 0.00 31 D 8.09 4.28 0.00 2.86 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 32 R 8.17 3.84 0.00 1.84 2.09 0.00 3.10 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.68 0.00 33 Q 8.53 3.96 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.59 0.00 34 I 7.99 3.66 1.64 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.82 0.75 0.00 0.00 35 R 8.22 3.93 0.00 1.99 1.97 0.00 3.09 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 36 D 8.31 4.35 0.00 2.86 2.68 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 0.00 0.00 0.00 0.00 37 I 7.67 3.67 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 1.51 0.91 0.91 0.00 0.00 38 Q 7.99 4.00 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.59 0.00 39 R 7.66 4.82 0.00 2.05 2.03 0.00 3.13 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 40 E 8.11 3.88 0.00 2.14 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 0.00 2.30 2.39 0.00 41 E 8.49 3.99 0.00 2.18 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.58 0.00 42 E 8.17 3.94 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 2.35 2.58 0.00 43 K 7.60 4.01 0.00 1.75 1.85 0.00 1.93 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.63 7.81 44 V 7.71 3.55 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 1.07 0.00 0.00 0.96 0.00 0.00 45 K 8.30 3.85 0.00 1.85 2.13 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.50 7.81 46 R 7.62 3.95 0.00 2.06 1.96 0.00 3.19 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.88 0.00 47 S 8.29 4.12 0.00 4.00 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 48 V 8.05 3.73 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 1.03 0.00 0.00 0.96 0.00 0.00 49 K 7.78 3.96 0.00 1.97 1.84 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.69 7.81 50 D 8.13 4.33 0.00 2.83 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 51 A 8.44 3.96 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 52 A 8.08 3.95 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 53 K 8.07 3.97 0.00 1.85 1.89 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.48 7.81 54 K 8.13 4.39 0.00 1.71 1.83 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.57 7.81 55 G 7.90 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 56 Q 7.90 4.28 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.43 6.69 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 57 K 8.33 3.89 0.00 1.79 1.87 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.67 7.81 58 D 8.02 4.37 0.00 2.68 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 59 V 7.75 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 1.07 0.00 0.00 1.01 0.00 0.00 60 C 7.87 4.11 0.00 3.25 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 61 I 7.56 3.76 1.87 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 1.41 0.60 0.91 0.00 0.00 62 V 7.78 3.60 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 1.03 0.00 0.00 1.01 0.00 0.00 63 L 8.29 3.92 0.00 1.88 1.73 0.94 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 64 A 8.45 3.99 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 65 K 8.07 4.05 0.00 2.02 1.88 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.66 7.81 66 E 8.10 4.06 0.00 2.03 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 2.31 2.38 0.00 *68 I 7.62 4.04 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 1.36 1.06 0.91 0.00 0.00 69 R 8.21 3.86 0.00 2.01 2.17 0.00 3.11 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 70 S 8.50 4.10 0.00 3.86 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 71 R 7.97 3.94 0.00 1.99 2.01 0.00 3.15 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.75 0.00 72 K 8.47 3.88 0.00 1.84 1.89 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.59 7.81 73 A 8.05 3.97 1.39 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 0.00 0.00 74 V 8.02 3.49 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 1.15 0.00 0.00 0.98 0.00 0.00 75 S 8.51 4.19 0.00 3.96 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 0.00 76 K 8.27 3.90 0.00 1.90 1.97 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.54 7.81 77 L 7.93 3.90 0.00 1.79 1.52 0.84 0.60 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 78 Y 8.15 4.15 0.00 3.23 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 79 A 8.71 4.00 1.43 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 0.00 0.00 80 S 7.90 4.15 0.00 4.11 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 81 K 8.11 4.01 0.00 1.75 2.04 0.00 1.82 0.00 0.00 1.86 0.00 0.00 3.12 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.51 1.49 7.81 82 A 8.26 4.21 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 83 H 8.04 4.10 0.00 3.31 3.33 0.00 5.65 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 *85 N 8.15 4.64 0.00 2.92 2.86 0.00 0.00 6.71 7.63 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 86 S 8.59 4.19 0.00 3.82 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 87 V 7.72 3.70 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 0.78 0.00 0.00 0.96 0.00 0.00 88 L 7.41 3.95 0.00 1.71 1.68 0.97 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 *90 G 8.02 3.74 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 *92 K 8.05 4.15 0.00 1.85 1.87 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.45 7.81 93 N 8.17 4.35 0.00 2.89 3.00 0.00 0.00 7.09 7.23 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 94 Q 8.54 4.03 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.47 0.00 0.00 0.00 0.00 0.00 2.61 2.69 0.00 95 L 7.59 3.94 0.00 1.86 1.76 0.93 0.83 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 96 A 7.83 4.02 1.39 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 0.00 0.00 97 V 7.91 3.64 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 1.07 0.00 0.00 0.94 0.00 0.00 98 L 7.48 4.14 0.00 1.98 1.70 0.92 0.95 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 99 R 8.51 3.99 0.00 1.85 2.13 0.00 3.31 0.00 0.00 3.15 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 100 V 8.42 3.60 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 0.81 0.00 0.00 1.00 0.00 0.00 101 A 7.62 4.14 1.24 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 0.00 0.00 102 G 7.32 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 0.00 103 S 7.51 4.69 0.00 3.76 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 0.00 104 L 8.20 4.73 0.00 1.69 1.62 0.96 0.96 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 Q 8.04 4.55 0.00 2.13 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.16 0.00 0.00 0.00 0.00 0.00 2.28 2.40 0.00 106 K 8.62 4.14 0.00 1.85 1.88 0.00 1.17 0.00 0.00 2.28 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.40 7.81 107 S 8.17 4.24 0.00 3.86 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 0.00 108 T 8.48 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 1.21 0.00 0.00 109 E 8.24 4.07 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.28 0.00 110 V 7.66 3.86 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 0.69 0.00 0.00 0.90 0.00 0.00 *112 K 7.83 4.26 0.00 1.95 2.10 0.00 1.50 0.00 0.00 1.96 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.66 1.45 7.81 113 A 7.40 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 *115 Q 8.19 4.26 0.00 1.99 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.12 0.00 0.00 0.00 0.00 0.00 2.21 2.38 0.00 116 S 7.86 4.48 0.00 3.83 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 0.00 117 L 7.26 4.45 0.00 1.90 1.61 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 118 V 7.79 3.96 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 0.93 0.00 0.00 119 K 7.58 4.37 0.00 1.81 1.88 0.00 1.56 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.28 1.36 7.81 120 I 7.27 3.75 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 1.29 0.80 0.98 0.00 0.00 121 P 0.00 3.83 0.00 2.06 1.88 0.00 3.77 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 122 E 9.47 3.36 0.00 2.05 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 2.28 2.33 0.00 123 I 8.66 3.60 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 1.46 0.67 0.90 0.00 0.00 124 Q 8.18 4.51 0.00 2.09 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.84 0.00 0.00 0.00 0.00 0.00 2.18 2.49 0.00 125 A 8.38 4.11 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 0.00 126 T 7.72 3.97 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 1.27 0.00 0.00 *128 R 8.10 4.25 0.00 2.10 2.12 0.00 3.16 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 1.57 1.60 0.00 129 E 8.62 4.00 0.00 2.18 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 0.00 2.33 2.36 0.00 130 L 7.67 3.80 0.00 1.53 1.42 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 131 S 7.97 4.01 0.00 3.76 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 0.00 132 K 7.43 4.04 0.00 1.93 1.92 0.00 1.89 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.44 1.45 7.81 133 E 7.64 4.02 0.00 2.20 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 0.00 2.48 2.64 0.00 *136 K 7.86 4.19 0.00 1.83 2.02 0.00 1.74 0.00 0.00 1.86 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.45 1.48 7.81 137 A 8.11 4.05 1.57 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 0.00 138 G 7.73 3.78 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 0.00 0.00 0.00 139 I 7.66 4.54 2.04 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 1.35 0.90 0.99 0.00 0.00 140 I 7.14 4.75 1.80 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 1.19 0.80 0.85 0.00 0.00 141 E 7.85 4.28 0.00 1.84 1.68 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 0.00 2.10 2.21 0.00 *161 A 7.51 4.18 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 0.00 162 E 8.22 4.34 0.00 2.00 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 2.39 2.23 0.00 *164 E 8.43 4.20 0.00 2.03 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 2.26 2.29 0.00 165 I 7.96 3.32 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 1.58 0.71 0.98 0.00 0.00 166 D 7.49 4.60 0.00 2.77 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 0.00 167 R 7.79 3.42 0.00 1.74 1.92 0.00 3.15 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.58 0.00 168 I 8.76 3.94 1.91 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 1.53 0.82 0.94 0.00 0.00 169 L 7.58 4.40 0.00 2.08 1.81 1.02 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 170 F 7.93 4.64 0.00 3.13 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 0.00 171 E 8.01 4.93 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.19 0.00 172 I 7.83 4.00 1.80 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.47 0.96 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.