NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.6974 8.3549 109.7506 45.2638 0.0000 175.0175 *2 F 4.3488 8.4567 123.0453 57.0534 39.7962 173.3448 3 A 4.8977 8.4653 124.5524 50.3064 22.1601 175.3834 4 S 4.7845 8.5009 113.3885 56.3717 65.0373 173.5755 5 L 4.6331 8.3761 123.8412 52.7153 43.5495 176.0075 6 V 3.9766 8.3137 123.8828 62.0484 32.2919 175.0835 7 I 4.6318 7.9825 127.2431 58.3743 40.6509 173.4800 8 P 4.3518 0.0000 0.0000 62.5413 32.0129 177.7320 9 V 3.7595 8.3715 120.8157 65.8096 31.2297 178.2461 10 S 4.1530 8.1339 112.8571 61.3525 62.6569 175.9378 11 A 4.1436 8.0963 124.4914 54.9784 18.1698 179.5668 12 Q 3.9495 7.9738 115.8787 58.7178 28.6315 178.3528 13 A 4.1095 7.7144 121.1845 54.5884 18.1727 178.3365 14 N 4.6815 7.8063 113.7646 53.5646 38.5881 177.1662 15 S 3.7312 7.8448 116.5840 59.5420 63.1726 175.8327 16 G 3.9691 7.7171 107.9665 45.5099 0.0000 173.9066 17 E 4.4101 8.0133 120.0366 53.6505 29.1766 173.5526 *19 P 4.2251 0.0000 0.0000 61.8147 34.2909 176.5628 20 Q 4.0466 8.6026 120.0630 59.3687 28.6642 179.4188 21 E 3.9853 8.1268 118.8907 59.5736 29.5487 179.2622 22 Q 4.0054 8.0287 117.5398 59.0433 28.9310 178.6085 23 Q 4.0063 8.2176 119.1019 58.9071 28.7251 178.7587 24 L 4.0867 8.0932 121.1701 58.0503 41.9356 178.7606 25 A 3.9872 7.7900 119.8415 55.1667 18.3614 179.4604 26 V 3.6988 7.8055 115.7985 66.0699 31.9319 178.0416 27 K 4.1900 7.9759 117.7670 59.5685 31.8021 179.0079 28 Y 3.0104 7.5713 115.4716 58.4813 38.3445 177.1244 *30 D 4.3595 8.0463 119.6620 53.9727 43.1376 177.7114 31 A 3.7986 7.8648 120.5986 54.8973 18.2983 179.1920 32 L 3.5764 7.5832 119.3729 58.6076 42.1994 179.3821 33 T 2.8285 7.4472 108.5130 63.0185 68.5723 175.0559 34 E 4.2172 7.2910 118.3665 55.3547 30.0564 175.2537 35 H 3.3353 7.2690 114.9088 57.2792 26.8923 176.0995 36 D 4.4208 7.5152 120.2431 53.4996 38.7375 174.9530 37 Y 4.2073 7.4853 122.3389 59.9770 38.1100 177.0997 38 K 4.0094 8.0380 119.8404 59.8352 32.7835 178.5422 39 T 4.0754 8.0452 115.5076 66.4245 68.4154 176.6114 40 L 4.0057 8.1743 122.5522 58.2901 42.1152 178.9299 41 I 3.8659 8.1438 118.5221 63.9012 37.6567 177.7261 42 T 3.9169 7.6858 109.4344 64.0627 68.7728 174.9103 43 F 4.6470 8.2486 119.4937 58.0320 39.5055 174.6107 44 Y 5.4367 7.8564 118.4459 56.1292 41.0045 174.4463 45 N 5.2430 8.7604 118.9040 51.0018 40.4484 175.0407 46 R 3.9255 8.5663 112.9293 58.8405 29.4240 177.3800 47 D 4.7283 8.2019 116.8636 54.3915 41.8831 176.9316 48 S 4.5920 7.9666 116.1381 58.7268 64.4427 173.0552 49 I 5.0112 8.5803 123.2845 59.4706 40.5465 174.2179 50 F 5.2648 9.2284 129.0590 56.4301 41.8686 173.7596 51 F 5.1681 8.7791 129.2403 56.4131 42.0050 173.6322 52 D 4.8372 8.6445 128.2652 53.1902 40.7088 177.0138 53 K 3.5587 8.6072 127.6593 58.9358 32.4057 180.2088 54 T 3.8819 8.0326 108.0577 64.1252 68.7634 174.8040 55 A 4.2484 8.8562 123.0490 51.3772 19.8971 175.9363 56 N 4.3061 7.6982 113.7021 54.7418 37.8503 175.0510 57 R 4.4609 8.5544 116.5511 54.5004 34.3339 176.1416 58 K 4.6069 8.3426 125.8186 54.7087 34.0480 174.5402 59 Y 4.5649 9.2524 126.0661 56.7251 40.2418 174.9339 60 T 4.8636 8.6844 119.6302 62.5867 71.7274 173.9617 61 G 3.9726 9.4429 116.0327 44.8617 0.0000 174.6938 62 G 3.6756 8.9510 111.9803 48.2099 0.0000 175.9859 63 R 4.0288 7.8368 119.6739 59.0516 30.1608 178.9962 64 F 4.5730 8.0068 117.2669 60.5263 38.8886 177.6071 65 I 3.6593 8.0665 119.5730 64.5303 36.8555 178.4923 66 I 3.6801 8.0439 120.7573 64.4440 36.9624 178.0208 67 D 4.1826 8.1425 118.8537 57.1602 40.9816 178.0099 68 F 4.0867 8.0889 121.1319 61.2328 39.2949 177.1427 69 L 3.0619 7.6784 118.7888 57.4017 41.1632 179.0933 70 E 3.6600 7.4638 119.4473 58.6617 29.6661 178.8010 71 R 3.9572 7.8499 117.8192 59.1841 29.9107 178.9214 72 A 3.9130 7.7555 119.5738 54.6104 18.4330 178.3831 73 H 4.6008 7.8089 112.7524 54.2663 28.9493 174.3904 74 Q 3.9652 7.1220 122.9114 58.0147 28.9207 177.3652 75 G 3.9424 8.9458 113.2650 45.3593 0.0000 173.0557 76 V 4.0014 7.6832 120.4095 61.9084 32.1518 175.9109 77 L 4.4032 8.4270 126.9735 53.5243 42.5574 176.0187 78 E 4.1406 8.7183 120.4803 57.4269 29.6796 175.4531 79 Y 4.9011 8.1425 122.5579 55.2859 41.2316 174.2451 80 D 4.9463 8.7904 118.8959 52.4305 44.5429 175.4523 81 F 5.1331 8.7191 124.0538 56.9270 40.9082 174.9315 82 N 4.7339 9.1536 126.6824 51.7240 39.1684 174.4273 83 I 3.9536 7.7465 117.7434 60.2216 38.4536 175.7851 84 E 4.2569 8.9825 124.9025 59.0651 30.5287 175.2208 85 H 4.7302 7.6380 116.4333 55.5343 33.3071 171.6577 *87 Y 4.7285 8.2501 117.2944 57.1163 39.5020 173.3845 88 N 5.4091 8.6669 114.9624 51.5382 40.9041 174.3879 89 A 4.5646 9.0006 123.8185 50.8336 20.7099 177.4571 90 G 3.7029 8.1541 114.2684 48.2360 0.0000 173.1840 91 S 4.3862 8.6609 120.9124 58.4262 62.9146 172.3357 92 L 4.8677 8.0241 124.9529 53.7049 43.2792 175.1383 93 V 4.6403 8.8114 127.3913 61.1690 33.8173 174.7315 94 V 4.5808 8.2459 127.0924 60.7805 35.1028 174.3333 *96 I 4.0430 8.0948 121.5708 61.6361 38.4872 175.4988 97 G 3.6873 8.2018 113.1593 46.3524 0.0000 171.1087 98 N 5.6732 8.3569 117.3663 51.7670 42.9322 173.4172 99 Y 5.0474 9.3187 121.8461 57.4530 39.7763 173.9243 100 H 5.5489 9.4396 125.8746 54.7478 31.8396 173.2626 101 F 5.2919 9.3444 125.0319 55.5596 41.8307 174.5983 102 K 4.8492 9.5132 123.7294 53.7262 35.1241 176.6561 103 G 3.8968 8.2345 114.0702 44.4285 0.0000 169.7276 104 P 4.6814 0.0000 0.0000 63.2649 31.8105 176.5029 105 G 4.0961 8.8734 109.9442 45.4277 0.0000 175.2158 106 E 3.9424 8.4483 120.9836 59.7277 29.4277 179.4600 107 Q 3.9638 8.0269 114.4005 57.7386 28.8899 176.7961 108 F 4.4674 8.0345 115.2361 56.8726 39.1862 175.9924 109 G 3.9171 8.0837 107.5107 46.2488 0.0000 175.1406 110 K 4.6779 8.1056 116.6548 53.7430 32.3592 174.4697 111 P 4.4069 0.0000 0.0000 64.0372 32.2341 177.9645 112 G 3.9338 9.2732 109.1990 45.4497 0.0000 172.9002 113 K 4.7213 7.6233 118.6234 54.5450 36.1440 174.7772 114 I 4.9129 8.2435 122.0942 59.7786 38.8809 175.5353 115 I 4.6518 8.6565 120.5532 59.4031 40.9740 174.5688 116 D 5.0422 8.9442 122.8629 53.4773 43.4312 174.6981 117 V 4.7645 9.0838 119.0412 59.4719 36.3565 175.0469 118 A 5.0756 9.3615 124.8116 50.5794 21.2875 175.7791 119 I 4.4681 8.9126 124.3432 59.4846 39.4162 174.1456 120 P 4.9672 0.0000 0.0000 63.2504 32.5452 175.4011 121 A 5.1067 8.9989 123.0708 51.1835 23.4443 175.1423 122 V 4.7843 8.7533 119.3466 61.3993 34.4750 174.5791 123 T 5.3112 8.8556 123.8142 61.7580 71.4859 173.3571 124 S 5.0553 9.2024 120.4736 56.4476 66.6802 172.8668 125 L 5.1319 8.8120 121.5594 52.9071 45.1846 175.1748 126 K 4.8622 9.1590 125.9325 55.0460 33.7096 174.9816 127 L 5.2101 8.6638 127.5432 53.1366 44.3557 175.6070 128 D 4.6418 9.0024 122.4539 52.9627 43.5590 176.8055 *130 L 4.1822 8.3946 121.9312 54.8586 43.4225 177.0532 131 N 4.6560 8.3581 112.0125 52.2377 39.2781 174.8333 132 R 3.8182 7.8519 116.1251 57.7129 27.7869 175.8078 133 R 4.9214 7.9644 116.8345 54.5133 33.9984 175.0529 134 V 4.5173 8.9953 126.7466 62.3598 31.5143 175.7178 135 T 4.3204 8.9581 120.0530 64.0770 70.5672 174.6582 136 E 5.0773 8.0362 123.0293 55.0372 33.4273 173.1247 137 H 5.3744 9.7603 127.9861 54.5860 32.1408 172.9750 138 V 4.8277 8.9747 126.5001 61.1922 34.2066 173.7136 139 D 5.3789 8.8013 127.6099 52.6416 43.8285 175.4375 140 L 4.8449 9.0726 123.1165 53.1071 43.8551 174.8112 141 I 4.4859 8.6080 124.9735 59.2835 38.8275 176.7832 142 D 4.6203 8.5092 127.8486 52.9533 39.4807 175.2934 143 Y 4.3643 7.8207 120.2906 60.5950 38.8320 177.8081 144 Q 4.2011 8.3609 120.5927 59.5357 29.5063 178.9887 145 T 4.2696 8.0728 113.2437 63.9400 67.9657 176.4590 *147 S 4.4737 8.2331 119.5524 58.8597 64.9130 176.0701 148 D 4.4129 8.4553 119.3098 57.5806 40.5618 178.6528 149 Q 4.1600 7.9051 117.3548 59.0225 28.8157 178.5777 150 L 4.1677 7.9108 118.1865 57.0585 42.0028 179.7063 151 A 4.2237 7.8337 122.4736 51.6182 18.1162 177.3427 *153 Q 4.0574 8.1347 126.0559 57.5694 29.2811 175.7231 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 G 8.35 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *2 F 8.46 4.35 0.00 3.11 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 3 A 8.47 4.90 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 4 S 8.50 4.78 0.00 3.95 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 5 L 8.38 4.63 0.00 1.62 1.61 0.93 0.94 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 6 V 8.31 3.98 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 0.78 0.00 0.00 0.92 0.00 0.00 7 I 7.98 4.63 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 1.63 1.05 0.90 0.00 0.00 8 P 0.00 4.35 0.00 2.19 2.15 0.00 3.68 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.93 0.00 9 V 8.37 3.76 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 1.05 0.00 0.00 0.86 0.00 0.00 10 S 8.13 4.15 0.00 4.05 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 11 A 8.10 4.14 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 12 Q 7.97 3.95 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 13 A 7.71 4.11 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 14 N 7.81 4.68 0.00 2.87 2.84 0.00 0.00 6.60 7.40 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 15 S 7.84 3.73 0.00 3.99 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 16 G 7.72 3.97 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 0.00 0.00 0.00 17 E 8.01 4.41 0.00 1.91 1.89 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 2.24 2.24 0.00 *19 P 0.00 4.23 0.00 2.19 2.10 0.00 3.62 0.00 0.00 3.94 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 20 Q 8.60 4.05 0.00 2.07 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.42 0.00 21 E 8.13 3.99 0.00 2.06 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 0.00 2.47 2.48 0.00 22 Q 8.03 4.01 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.90 0.00 0.00 0.00 0.00 0.00 2.43 2.56 0.00 23 Q 8.22 4.01 0.00 2.30 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.59 0.00 24 L 8.09 4.09 0.00 1.85 1.86 1.12 1.31 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 25 A 7.79 3.99 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 26 V 7.81 3.70 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 0.86 0.00 0.00 0.96 0.00 0.00 27 K 7.98 4.19 0.00 2.27 2.10 0.00 1.84 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.67 7.81 28 Y 7.57 3.01 0.00 1.90 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 *30 D 8.05 4.36 0.00 2.81 2.66 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 31 A 7.86 3.80 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.58 3.58 0.00 1.27 1.33 0.83 0.85 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 33 T 7.45 2.83 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 0.75 0.00 0.00 34 E 7.29 4.22 0.00 2.07 1.93 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 2.27 2.17 0.00 35 H 7.27 3.34 0.00 3.15 3.07 0.00 5.84 0.00 0.00 0.00 0.00 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 D 7.52 4.42 0.00 2.63 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 0.00 0.00 0.00 0.00 37 Y 7.49 4.21 0.00 3.08 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.04 4.01 0.00 1.78 2.00 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.56 7.81 39 T 8.05 4.08 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 1.36 0.00 0.00 40 L 8.17 4.01 0.00 1.80 1.73 0.16 1.29 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 41 I 8.14 3.87 2.09 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 1.71 1.43 1.04 0.00 0.00 42 T 7.69 3.92 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 43 F 8.25 4.65 0.00 3.08 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 Y 7.86 5.44 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 45 N 8.76 5.24 0.00 2.85 2.97 0.00 0.00 6.95 7.28 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 46 R 8.57 3.93 0.00 1.93 2.19 0.00 2.91 0.00 0.00 3.32 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 47 D 8.20 4.73 0.00 2.81 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 48 S 7.97 4.59 0.00 3.83 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 49 I 8.58 5.01 1.92 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 1.09 0.86 0.92 0.00 0.00 50 F 9.23 5.26 0.00 3.17 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 51 F 8.78 5.17 0.00 2.79 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 52 D 8.64 4.84 0.00 2.98 2.77 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 53 K 8.61 3.56 0.00 1.54 1.41 0.00 1.37 0.00 0.00 1.26 0.00 0.00 2.47 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.30 0.45 7.81 54 T 8.03 3.88 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 55 A 8.86 4.25 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 56 N 7.70 4.31 0.00 2.81 2.86 0.00 0.00 6.91 8.81 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 57 R 8.55 4.46 0.00 1.88 1.76 0.00 3.32 0.00 0.00 3.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 58 K 8.34 4.61 0.00 0.79 1.06 0.00 0.91 0.00 0.00 1.24 0.00 0.00 2.60 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.96 0.81 7.81 59 Y 9.25 4.56 0.00 2.99 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 60 T 8.68 4.86 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 1.18 0.00 0.00 61 G 9.44 3.97 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 0.00 0.00 0.00 62 G 8.95 3.68 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 0.00 0.00 0.00 63 R 7.84 4.03 0.00 1.83 2.07 0.00 3.13 0.00 0.00 3.37 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.72 0.00 64 F 8.01 4.57 0.00 3.15 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 I 8.07 3.66 1.69 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.87 0.82 0.00 0.00 66 I 8.04 3.68 1.93 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.17 0.80 0.00 0.00 67 D 8.14 4.18 0.00 2.93 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 68 F 8.09 4.09 0.00 2.73 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 69 L 7.68 3.06 0.00 1.57 1.55 0.98 0.21 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 70 E 7.46 3.66 0.00 1.25 1.67 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 2.18 1.98 0.00 71 R 7.85 3.96 0.00 2.01 1.89 0.00 3.17 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 72 A 7.76 3.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 H 7.81 4.60 0.00 3.40 3.35 0.00 5.65 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 Q 7.12 3.97 0.00 1.92 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.60 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 75 G 8.95 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 76 V 7.68 4.00 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 1.10 0.00 0.00 0.82 0.00 0.00 77 L 8.43 4.40 0.00 1.78 1.67 1.02 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 78 E 8.72 4.14 0.00 1.93 1.90 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 2.25 2.43 0.00 79 Y 8.14 4.90 0.00 2.48 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 0.00 0.00 0.00 80 D 8.79 4.95 0.00 2.64 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 F 8.72 5.13 0.00 2.68 2.81 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 82 N 9.15 4.73 0.00 2.72 2.69 0.00 0.00 6.41 7.01 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 83 I 7.75 3.95 1.54 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.37 -0.12 0.00 0.00 84 E 8.98 4.26 0.00 1.89 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 0.00 2.23 2.36 0.00 85 H 7.64 4.73 0.00 3.10 3.26 0.00 5.95 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *87 Y 8.25 4.73 0.00 3.02 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 N 8.67 5.41 0.00 2.81 2.76 0.00 0.00 5.73 7.26 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 89 A 9.00 4.56 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 90 G 8.15 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 S 8.66 4.39 0.00 3.91 4.07 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 92 L 8.02 4.87 0.00 1.78 1.70 0.95 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 93 V 8.81 4.64 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 0.95 0.00 0.00 0.94 0.00 0.00 94 V 8.25 4.58 0.71 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 0.54 0.00 0.00 0.71 0.00 0.00 *96 I 8.09 4.04 1.92 0.00 0.00 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 1.35 0.43 0.95 0.00 0.00 97 G 8.20 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 0.00 0.00 0.00 98 N 8.36 5.67 0.00 2.71 2.75 0.00 0.00 7.41 6.99 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 99 Y 9.32 5.05 0.00 3.10 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 H 9.44 5.55 0.00 3.21 3.21 0.00 5.55 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 F 9.34 5.29 0.00 2.83 2.81 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 0.00 102 K 9.51 4.85 0.00 1.65 1.60 0.00 1.89 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.32 1.57 7.81 103 G 8.23 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 0.00 0.00 0.00 0.00 104 P 0.00 4.68 0.00 2.09 2.12 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 105 G 8.87 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 E 8.45 3.94 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 107 Q 8.03 3.96 0.00 1.56 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 7.24 0.00 0.00 0.00 0.00 0.00 2.29 2.16 0.00 108 F 8.03 4.47 0.00 3.10 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 G 8.08 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 0.00 110 K 8.11 4.68 0.00 1.89 1.73 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.58 1.50 7.81 111 P 0.00 4.41 0.00 2.18 2.06 0.00 3.90 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 112 G 9.27 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 0.00 113 K 7.62 4.72 0.00 1.79 1.70 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.56 7.81 114 I 8.24 4.91 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.84 0.96 0.00 0.00 115 I 8.66 4.65 1.71 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.81 0.86 0.00 0.00 116 D 8.94 5.04 0.00 2.66 2.57 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 0.00 117 V 9.08 4.76 2.21 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 0.53 0.00 0.00 0.80 0.00 0.00 118 A 9.36 5.08 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 I 8.91 4.47 2.15 0.00 0.00 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 1.37 1.15 1.00 0.00 0.00 120 P 0.00 4.97 0.00 2.12 2.02 0.00 3.69 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.15 0.00 121 A 9.00 5.11 1.49 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 0.00 122 V 8.75 4.78 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 1.10 0.00 0.00 0.99 0.00 0.00 123 T 8.86 5.31 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 0.00 124 S 9.20 5.06 0.00 3.86 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 0.00 125 L 8.81 5.13 0.00 1.47 1.41 0.76 0.68 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 0.00 126 K 9.16 4.86 0.00 1.85 1.69 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.46 7.81 127 L 8.66 5.21 0.00 1.55 1.56 0.93 0.90 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 0.00 128 D 9.00 4.64 0.00 2.70 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 *130 L 8.39 4.18 0.00 1.66 1.91 0.92 0.94 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 0.00 131 N 8.36 4.66 0.00 2.93 2.83 0.00 0.00 7.18 7.78 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 0.00 132 R 7.85 3.82 0.00 1.81 1.86 0.00 3.31 0.00 0.00 3.15 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.48 0.00 133 R 7.96 4.92 0.00 1.91 1.77 0.00 3.13 0.00 0.00 3.33 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.82 0.00 134 V 9.00 4.52 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 0.78 0.00 0.00 0.20 0.00 0.00 135 T 8.96 4.32 4.28 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 1.25 0.00 0.00 136 E 8.04 5.08 0.00 2.07 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 0.00 2.34 2.39 0.00 137 H 9.76 5.37 0.00 3.39 3.53 0.00 5.60 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 V 8.97 4.83 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 0.85 0.00 0.00 0.95 0.00 0.00 139 D 8.80 5.38 0.00 2.62 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.07 4.84 0.00 1.66 1.58 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 141 I 8.61 4.49 0.98 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.70 0.21 0.00 0.00 142 D 8.51 4.62 0.00 2.63 2.73 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 0.00 143 Y 7.82 4.36 0.00 3.09 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.36 4.20 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 7.22 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 145 T 8.07 4.27 4.47 0.00 0.00 0.00 0.00 0.00 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 *147 S 8.23 4.47 0.00 4.13 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 0.00 148 D 8.46 4.41 0.00 2.82 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 Q 7.91 4.16 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.01 0.00 0.00 0.00 0.00 0.00 2.42 2.60 0.00 150 L 7.91 4.17 0.00 1.79 1.77 1.12 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 151 A 7.83 4.22 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 *153 Q 8.13 4.06 0.00 2.18 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.60 0.00 0.00 0.00 0.00 0.00 2.26 2.52 0.00 * Residues marked with a * may have inaccurate shift predictions.