NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 A 4.1991 8.2531 123.5747 53.3987 20.1452 176.5540 4 G 3.7244 8.9959 110.4994 45.0178 0.0000 173.8008 5 I 3.7056 8.4703 123.3885 63.0712 39.0311 174.7989 6 L 4.6135 7.5965 118.7054 54.2637 41.7809 176.1122 7 A 4.4769 7.9184 121.4579 51.3939 19.2615 178.1172 8 D 4.7658 8.4658 120.3758 50.6210 43.6939 176.1976 9 A 3.9503 8.6912 121.9962 55.8485 18.1621 179.5714 10 D 4.2290 8.0390 116.1823 58.0063 41.0451 179.8508 11 C 3.9528 9.1437 116.6661 59.3642 39.7102 176.1933 12 A 3.9457 8.6033 123.1303 55.0938 17.7727 179.4878 13 A 3.8786 8.1546 118.3577 55.0710 18.7412 179.4966 14 A 3.8763 7.8386 119.5972 55.0042 18.3302 179.8613 15 V 3.7289 7.6886 116.8050 66.3505 31.4694 177.9429 16 K 3.8469 8.1722 117.9317 59.8071 31.9452 178.0657 17 A 4.2441 7.8346 119.6877 53.5123 18.0381 177.2283 18 C 5.1893 8.0631 112.8047 56.7493 30.2026 176.3747 19 E 4.0632 8.5062 121.3777 60.3045 29.7103 178.0857 20 A 4.2893 7.4571 117.9515 50.9036 19.4279 176.5877 21 A 4.0865 8.3541 124.2368 53.7203 18.8941 177.3183 22 D 4.6948 8.9987 121.0891 55.6691 37.8612 174.9221 23 S 4.6705 7.8844 111.3919 57.9641 64.2554 173.3784 24 F 4.6648 8.4662 124.4715 57.6260 40.1815 175.3644 25 S 4.2807 7.3480 121.3157 55.7332 66.6510 174.8500 26 Y 3.3290 8.1509 124.0780 59.6120 37.6304 178.8340 27 K 3.5357 6.7892 119.6663 59.0678 31.6654 178.9508 28 A 3.8569 7.0389 119.9440 54.8703 18.1555 179.2169 29 F 3.8334 7.7398 119.1220 61.7275 39.2546 177.5490 30 F 4.1871 8.2467 116.6920 59.5446 38.7359 177.3002 31 A 4.0993 7.8580 120.2924 54.4627 18.1368 179.1781 32 K 4.1912 7.1719 116.4235 58.3827 33.2913 176.9170 33 C 4.2740 8.3157 125.0597 55.2497 40.9328 174.9786 34 G 3.8845 8.1706 123.4662 44.8385 0.0000 173.1648 35 L 4.1149 8.1778 123.6716 57.9403 42.8642 178.6027 36 S 4.0066 8.2789 111.8312 61.3285 62.5664 175.4714 37 G 3.6981 7.6507 107.0921 46.5814 0.0000 173.6216 38 K 4.4193 7.8804 120.4524 54.8416 33.6051 177.1553 39 S 4.3214 8.3373 114.5514 58.4528 64.8446 175.0602 40 A 4.1186 8.5984 125.0076 55.4916 18.1105 180.0331 41 D 4.3329 8.0447 117.1093 57.7439 40.7111 178.4812 42 D 4.5137 8.4453 119.4444 57.0392 40.7805 178.8645 43 I 4.0853 8.2672 121.2832 64.0828 37.1021 178.2198 44 K 4.1542 8.2494 120.6295 59.3643 31.9562 179.0104 45 K 3.9860 8.4304 118.7460 59.4391 31.9677 179.0658 46 A 4.0592 8.0231 120.7189 55.0248 18.2789 179.2863 47 F 3.0714 8.0110 118.6950 61.4901 39.1843 177.9524 48 V 3.5524 8.0658 112.8202 64.5597 31.3203 178.9459 *49 F 4.1097 7.8214 120.1484 62.0310 37.9106 181.2261 50 I 3.9643 7.2442 119.4584 63.2542 38.3708 177.5921 51 D 4.6237 7.6269 120.1810 53.9657 36.5939 176.7387 52 Q 3.9050 7.6870 120.6757 58.7271 29.4693 177.8826 53 D 4.5684 8.4710 115.0310 52.3845 39.8656 176.1684 54 K 3.9321 7.9737 118.7017 57.8446 29.8875 176.4857 55 S 4.2912 8.6245 112.8719 59.2832 63.7623 175.1014 56 G 4.0245 9.3525 109.7792 44.9923 0.0000 173.0983 57 F 5.1409 7.7140 116.3790 55.7506 43.3901 174.2845 58 I 4.8486 8.6084 122.9825 59.6509 38.4721 175.5519 59 E 4.6768 8.7532 126.5565 55.0199 31.4388 177.2780 60 E 3.8955 8.8189 120.5527 59.6769 29.1169 179.4951 61 D 4.3711 7.9078 118.1158 56.2967 39.9086 177.9219 62 E 4.1023 7.9854 119.4305 58.7055 29.6812 178.6090 63 L 3.8569 7.9017 119.2603 57.7507 41.6488 179.1723 64 K 3.9052 7.9006 120.6789 58.3188 31.8316 177.6242 65 L 4.5141 7.6727 116.7268 54.4095 41.6435 177.7464 66 F 4.1947 8.1277 123.9649 61.7688 39.1783 177.3061 67 L 3.8469 7.8468 117.7171 57.8998 41.3926 179.3740 68 Q 4.6691 7.8590 118.9200 58.2350 28.5552 178.9860 69 V 3.3398 7.4255 119.6540 65.2636 30.9664 177.3951 70 F 4.5400 7.8843 116.4315 58.1749 40.1322 175.4102 71 K 4.4777 7.5597 119.6618 54.6267 34.7548 174.3503 72 A 4.1923 8.5216 128.8569 53.5404 18.7575 178.4600 73 G 3.9613 8.9742 110.1686 45.4104 0.0000 173.6036 74 A 4.1929 7.1484 122.1713 51.6994 18.9566 178.1083 75 R 4.1883 8.2046 115.9108 55.4914 30.6064 176.4596 76 A 4.3597 8.1877 121.2081 51.6829 19.2996 177.4242 77 L 4.3505 8.6784 121.0942 54.7685 42.4566 177.6185 78 T 4.1239 9.4764 113.3762 61.4961 69.9469 175.1143 79 D 4.3587 8.9581 121.7892 57.7745 40.8669 179.1604 80 A 4.0358 7.9764 120.5871 54.9022 18.4501 179.4310 81 E 4.0369 8.1027 117.0130 60.0928 29.1123 179.5622 82 T 3.9787 8.2825 116.0396 66.6558 68.4726 176.6981 83 K 3.9822 8.4208 120.2922 59.5853 32.1243 179.2748 84 A 4.1311 8.0188 120.7572 54.8831 18.4545 179.5736 85 F 4.3293 8.5639 119.3670 61.3205 39.4528 177.0557 86 L 3.7926 8.0598 120.1030 58.2154 41.6474 178.8572 87 K 3.8899 7.8951 117.7732 59.5165 32.1327 178.2538 88 A 4.2709 7.8283 120.0082 54.9337 18.3991 179.3593 89 G 3.8832 7.7911 102.5376 45.9962 0.0000 174.3396 90 D 4.8110 8.0465 121.1653 53.2190 40.0185 175.6008 91 S 4.3303 8.3942 119.8762 60.2642 63.8562 175.7902 92 D 4.4539 8.5182 118.4847 53.3148 39.6453 176.9628 93 G 3.8669 8.4905 108.4032 46.5213 0.0000 174.0056 94 D 4.4302 8.2088 117.4782 53.0657 39.7338 177.1530 95 G 3.8167 9.3324 108.2977 45.7547 0.0000 172.8030 96 A 4.8662 8.1739 119.3483 50.1281 23.0337 176.3546 97 I 4.5899 8.8166 120.4061 59.8887 39.0513 176.3725 98 G 4.3746 9.4767 115.5821 44.8751 0.0000 174.6280 99 V 2.2297 7.8144 119.8469 64.5003 30.9457 178.4210 100 E 3.9651 7.8920 118.5774 59.1261 29.4070 178.9008 101 E 4.0355 8.0394 118.3374 58.9011 29.6234 178.5320 102 W 4.4764 9.1054 129.2618 60.9772 30.5585 178.0828 103 V 3.4039 7.8533 116.7303 65.9294 31.0274 177.6598 104 A 4.0615 7.9212 120.4960 54.9887 18.0151 179.4101 105 L 3.9340 7.4994 117.9514 58.0945 42.2068 179.0741 106 V 2.3472 6.9147 117.4307 64.1389 31.5774 176.6717 107 K 4.0278 6.7784 116.9676 55.6066 32.6069 176.7851 108 A 4.1190 8.3667 122.9083 52.6638 18.2509 177.6699 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 3 A 8.25 4.20 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 4 G 9.00 3.72 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 0.00 0.00 0.00 5 I 8.47 3.71 1.81 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.83 0.80 0.00 0.00 6 L 7.60 4.61 0.00 1.37 1.65 0.76 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 7 A 7.92 4.48 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 8 D 8.47 4.77 0.00 2.94 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 9 A 8.69 3.95 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 10 D 8.04 4.23 0.00 2.79 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 11 C 9.14 3.95 0.00 3.06 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 12 A 8.60 3.95 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 13 A 8.15 3.88 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 14 A 7.84 3.88 0.45 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 15 V 7.69 3.73 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 1.08 0.00 0.00 1.18 0.00 0.00 16 K 8.17 3.85 0.00 1.95 1.86 0.00 1.87 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.66 1.64 7.81 17 A 7.83 4.24 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 18 C 8.06 5.19 0.00 3.31 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.51 4.06 0.00 2.01 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 0.00 2.36 2.58 0.00 20 A 7.46 4.29 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 21 A 8.35 4.09 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 22 D 9.00 4.69 0.00 2.90 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 23 S 7.88 4.67 0.00 4.07 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 24 F 8.47 4.66 0.00 3.02 3.17 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 25 S 7.35 4.28 0.00 3.80 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 26 Y 8.15 3.33 0.00 2.51 2.23 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 27 K 6.79 3.54 0.00 1.39 1.59 0.00 1.41 0.00 0.00 1.23 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.30 1.00 7.81 28 A 7.04 3.86 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 F 7.74 3.83 0.00 2.76 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 30 F 8.25 4.19 0.00 3.18 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 31 A 7.86 4.10 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 32 K 7.17 4.19 0.00 1.65 1.74 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.24 1.26 7.81 33 C 8.32 4.27 0.00 2.01 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 34 G 8.17 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 35 L 8.18 4.11 0.00 2.06 1.80 1.59 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 36 S 8.28 4.01 0.00 3.90 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 7.65 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 38 K 7.88 4.42 0.00 2.03 1.85 0.00 1.83 0.00 0.00 1.89 0.00 0.00 3.19 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.43 7.81 39 S 8.34 4.32 0.00 4.07 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 8.60 4.12 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 41 D 8.04 4.33 0.00 2.73 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 42 D 8.45 4.51 0.00 3.03 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 43 I 8.27 4.09 1.96 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 1.43 1.21 1.07 0.00 0.00 44 K 8.25 4.15 0.00 2.07 1.97 0.00 1.58 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.38 7.81 45 K 8.43 3.99 0.00 2.08 1.91 0.00 1.91 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.51 7.81 46 A 8.02 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 47 F 8.01 3.07 0.00 2.45 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 48 V 8.07 3.55 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 0.84 0.00 0.00 1.11 0.00 0.00 *49 F 7.82 4.11 0.00 2.37 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 0.00 0.00 0.00 0.00 50 I 7.24 3.96 1.51 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 0.93 0.73 0.00 0.00 51 D 7.63 4.62 0.00 2.14 2.36 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 52 Q 7.69 3.90 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.84 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 53 D 8.47 4.57 0.00 2.74 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 54 K 7.97 3.93 0.00 1.85 1.91 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.38 7.81 55 S 8.62 4.29 0.00 4.08 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 0.00 56 G 9.35 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 F 7.71 5.14 0.00 3.01 2.89 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 58 I 8.61 4.85 1.69 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 -0.36 0.71 0.00 0.00 59 E 8.75 4.68 0.00 2.06 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 2.31 2.35 0.00 60 E 8.82 3.90 0.00 1.97 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 61 D 7.91 4.37 0.00 2.79 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 62 E 7.99 4.10 0.00 2.03 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 0.00 2.30 2.32 0.00 63 L 7.90 3.86 0.00 1.66 1.57 0.39 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 64 K 7.90 3.91 0.00 1.95 2.00 0.00 1.65 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.48 7.81 65 L 7.67 4.51 0.00 1.79 1.82 0.89 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 66 F 8.13 4.19 0.00 3.25 3.09 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 67 L 7.85 3.85 0.00 1.83 1.69 0.66 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 68 Q 7.86 4.67 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.20 0.00 69 V 7.43 3.34 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 0.46 0.00 0.00 0.76 0.00 0.00 70 F 7.88 4.54 0.00 3.22 3.12 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 71 K 7.56 4.48 0.00 1.87 1.63 0.00 1.66 0.00 0.00 1.86 0.00 0.00 3.00 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.45 1.51 7.81 72 A 8.52 4.19 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 73 G 8.97 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 0.00 0.00 0.00 74 A 7.15 4.19 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 75 R 8.20 4.19 0.00 1.94 1.95 0.00 3.06 0.00 0.00 3.45 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 76 A 8.19 4.36 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 77 L 8.68 4.35 0.00 1.55 1.60 0.81 0.41 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 78 T 9.48 4.12 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 1.30 0.00 0.00 79 D 8.96 4.36 0.00 2.80 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 80 A 7.98 4.04 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 81 E 8.10 4.04 0.00 2.34 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 0.00 2.54 2.46 0.00 82 T 8.28 3.98 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 83 K 8.42 3.98 0.00 2.05 1.90 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.67 7.81 84 A 8.02 4.13 1.50 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 85 F 8.56 4.33 0.00 3.30 3.08 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 0.00 86 L 8.06 3.79 0.00 1.81 1.79 0.87 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.90 3.89 0.00 1.84 2.08 0.00 1.90 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.49 7.81 88 A 7.83 4.27 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 89 G 7.79 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 90 D 8.05 4.81 0.00 2.65 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 91 S 8.39 4.33 0.00 4.04 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.52 4.45 0.00 2.83 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 93 G 8.49 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 D 8.21 4.43 0.00 2.64 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 95 G 9.33 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 0.00 0.00 0.00 96 A 8.17 4.87 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 I 8.82 4.59 1.96 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 1.09 1.08 1.26 0.00 0.00 98 G 9.48 4.37 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 V 7.81 2.23 1.03 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 0.59 0.00 0.00 0.49 0.00 0.00 100 E 7.89 3.97 0.00 2.06 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 2.36 2.39 0.00 101 E 8.04 4.04 0.00 2.40 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 0.00 2.45 2.42 0.00 102 W 9.11 4.48 0.00 3.65 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 V 7.85 3.40 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 0.81 0.00 0.00 1.04 0.00 0.00 104 A 7.92 4.06 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 0.00 105 L 7.50 3.93 0.00 1.69 1.91 1.13 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 106 V 6.91 2.35 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 0.61 0.00 0.00 -0.17 0.00 0.00 107 K 6.78 4.03 0.00 1.84 1.67 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.38 1.49 7.81 108 A 8.37 4.12 1.20 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.