NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2033 8.1633 120.2859 54.6922 33.1644 174.1957 2 K 4.0122 8.4963 126.3191 56.1858 32.4595 175.7536 3 G 3.9398 8.7113 113.7344 44.8792 0.0000 171.9492 4 D 4.5572 8.4842 119.6422 54.4209 41.9548 176.9895 5 T 3.8673 8.9085 122.9479 66.8990 68.5935 176.6427 6 K 3.8590 8.1764 120.8323 59.0981 32.2158 178.9016 7 V 3.9068 8.5381 118.9245 66.1462 31.4360 177.9035 8 I 3.7437 7.7222 119.3185 64.6431 36.9057 178.0891 9 N 4.2457 8.2377 117.0800 56.4585 38.3313 177.0189 10 Y 4.0981 7.9744 117.9940 61.1751 38.0285 178.6876 11 L 3.9311 8.6127 120.1130 57.9642 41.6292 179.4634 12 N 4.3871 8.5023 116.7682 55.9548 38.4239 177.4708 13 K 3.8692 8.2957 121.5686 59.3947 32.3250 178.9314 14 L 3.8232 8.1729 119.6641 57.6214 41.3898 179.0316 15 L 4.0224 7.8831 120.7322 58.1528 41.9383 179.2284 16 G 3.6236 8.1747 105.7363 47.9181 0.0000 175.2863 17 N 4.3476 7.9990 119.0443 56.1241 38.5966 177.3592 18 E 4.0779 8.2955 119.8306 59.4006 29.4249 179.2724 19 L 3.9937 8.1973 119.2235 57.8218 41.6174 179.7939 20 V 3.5901 7.7639 117.5716 66.0840 31.5165 177.9030 21 A 3.8715 8.2036 120.5388 55.0534 18.1225 179.4479 22 I 3.7612 8.4285 118.6423 64.8807 37.1845 178.4418 23 N 4.3748 7.9029 117.0059 56.4070 38.4070 177.4239 24 Q 3.8373 8.3217 121.2282 59.3313 29.0370 177.9029 25 Y 4.3529 8.4780 118.3255 60.9088 37.9192 178.0005 26 F 3.8301 8.6218 121.7843 61.0875 39.5044 176.7905 27 L 3.9782 8.2983 120.1134 58.6093 41.8346 178.4875 28 H 3.8473 8.2485 115.7781 58.7688 28.6245 177.2491 29 A 4.1688 8.2765 122.7654 55.7266 18.1214 179.9507 30 R 3.8922 7.8435 115.5836 58.7422 30.1476 179.2966 31 M 3.5974 7.8122 119.2295 58.2122 31.8785 178.3989 32 F 4.5725 7.7041 118.2520 60.6732 39.1273 177.6760 33 K 3.9393 8.1639 119.0672 59.5396 31.7883 178.2525 34 N 4.2908 8.0525 116.2266 56.8410 38.9882 176.6247 35 F 4.7655 8.2585 117.9660 59.0474 38.9710 176.4833 36 G 3.9860 8.0929 106.2637 45.8569 0.0000 175.2228 37 L 4.4816 8.0660 122.1452 52.6255 38.2337 176.9222 38 K 3.8199 7.9463 122.9774 59.9148 32.6185 177.5393 39 R 3.9271 8.2692 118.9009 59.2820 29.9438 178.4677 40 L 4.1118 7.9165 118.8908 57.3345 41.4627 178.8533 41 N 4.5648 8.1793 116.8031 56.7728 39.0020 176.5041 42 D 4.3044 8.0687 120.2467 57.3678 41.0665 178.9778 43 V 3.3578 7.6058 118.3794 66.0784 31.4183 177.9744 44 E 3.8307 8.3764 118.4562 59.2281 29.2986 178.5774 45 Y 3.8264 8.1634 119.8066 61.1537 38.6213 178.0612 46 H 4.2019 8.3066 115.9889 57.8777 28.7017 177.2021 47 E 3.7462 7.5409 120.4615 58.1835 29.4922 178.3927 48 S 4.0777 7.8352 113.6031 61.5376 62.4562 176.2193 49 I 3.5558 7.3398 122.2956 64.3736 36.8124 177.8070 50 D 4.2062 7.4856 118.3921 57.5331 40.9762 178.3205 51 E 4.0810 8.1380 118.8559 59.2961 29.3225 179.2392 52 M 4.0557 8.0107 119.0785 58.3514 32.0441 178.7059 53 K 3.8921 8.0602 118.5479 59.7992 32.1785 179.1190 54 H 4.1069 8.0295 115.9969 58.7541 28.6222 177.4990 55 A 4.2338 8.3330 122.8762 55.4334 18.2214 178.9860 56 D 4.3134 8.3987 116.6556 57.7597 41.2528 178.8250 57 R 3.8887 7.8816 118.3265 59.3978 29.9782 178.6611 58 Y 4.3156 7.8834 116.4741 61.2769 37.9107 178.7148 59 I 3.7765 8.3021 121.0927 64.5743 37.1676 178.4325 60 E 4.0706 8.4329 119.4528 59.1712 29.2102 179.4170 61 R 4.0365 8.1734 118.8842 59.5141 30.1968 178.4950 62 I 3.7693 8.5398 120.0012 64.5570 37.1549 178.4064 63 L 4.0443 8.0564 119.6874 57.7186 41.2202 179.3683 64 F 4.4041 8.1759 119.6515 61.2922 39.7144 176.5117 65 L 4.5282 8.1787 117.7692 53.9840 41.1544 177.2237 66 E 3.9057 7.9755 117.6062 57.3887 27.0551 174.6033 67 G 3.9179 8.1735 108.8671 44.1735 0.0000 173.8358 68 L 4.5205 8.0001 119.1532 51.9877 41.8719 175.0475 69 P 4.3720 0.0000 0.0000 62.5728 31.7589 176.0320 70 N 4.7250 9.4442 122.2161 52.4083 38.8071 173.8437 71 L 4.6388 8.3419 124.1957 54.5670 42.4571 177.4543 72 Q 4.1468 8.6110 122.2448 58.1197 29.3947 175.9550 73 D 4.6670 8.0430 116.8447 52.9618 41.9099 175.2797 74 L 4.5928 8.2849 125.2576 52.8077 44.1611 176.6043 75 G 3.8156 8.4351 115.4158 44.6149 0.0000 171.8403 76 K 4.0918 8.3219 120.7806 55.7871 32.4122 176.7210 77 L 4.1040 8.3695 126.8369 54.4156 42.2916 176.0180 78 N 4.8327 8.8790 121.1788 52.1192 40.3052 174.0084 79 I 3.9390 8.5786 126.6255 63.7026 37.9308 177.9503 80 G 4.1727 8.1267 102.6250 45.8271 0.0000 172.5012 81 E 4.5861 8.6731 117.2484 56.2909 31.9070 176.8038 82 D 5.0907 7.6761 117.1215 50.8870 43.3926 176.8245 83 V 3.9611 8.4440 119.3203 66.6511 31.2874 177.5630 84 E 3.8402 8.1996 117.9114 59.4824 29.5318 178.1754 85 E 3.9641 8.3972 119.3261 59.5533 29.6151 178.7213 86 M 4.0876 8.2921 117.1302 58.2272 31.4034 178.5896 87 L 4.1432 8.4537 120.5438 57.6542 41.7489 179.4810 88 R 3.9117 8.4323 119.0816 59.3364 30.0316 178.5656 89 S 4.0886 8.1276 113.1580 61.3519 62.3952 175.7950 90 D 4.2053 8.1483 121.6625 57.1483 40.4927 178.4872 91 L 3.9675 8.1772 120.5376 58.3035 42.1707 178.7798 92 A 3.9818 8.2237 120.8126 55.2592 18.2479 179.4032 93 L 3.9345 7.9079 118.6534 58.1360 42.0536 178.8477 94 E 4.0536 8.2634 119.4715 59.1513 29.7521 178.6812 95 L 4.0218 8.2397 119.3183 58.0435 41.8269 179.3167 96 D 4.5269 8.3435 118.9718 57.1793 40.7292 179.0963 97 G 3.6405 8.3541 106.2781 47.6192 0.0000 175.7173 98 A 4.0745 8.4173 123.4842 54.6185 18.4386 179.5508 99 K 3.8481 7.9835 117.8367 59.9764 32.2408 178.8226 100 N 4.4288 8.0833 116.2147 56.1670 38.3098 177.4603 101 L 3.9822 8.0621 120.4344 57.8844 41.6721 179.6582 102 R 3.8942 8.2061 118.1739 59.2425 29.8721 178.7894 103 E 3.8571 8.1122 118.5401 59.2421 29.6091 178.7181 104 A 2.8146 7.9664 121.0586 54.7611 18.4024 179.6438 105 I 3.7039 8.0233 118.7766 64.4720 36.9504 178.8927 106 G 3.6006 7.6024 105.2029 47.8673 0.0000 174.8900 107 Y 4.0960 7.6555 121.5598 60.2848 38.8979 177.3405 108 A 3.8033 8.1442 121.9876 55.2725 18.3952 179.0285 109 D 4.0716 7.8851 116.4128 57.4468 41.1127 178.5223 110 S 4.1715 7.5083 112.8538 60.1016 63.2714 175.6799 111 V 4.0178 6.8546 113.8613 60.7619 31.6465 175.6437 112 H 2.8104 7.1428 114.2728 56.5863 27.0490 176.4736 113 D 4.5581 7.3959 121.1319 53.6078 37.5225 176.2526 114 Y 4.3225 7.5031 121.4704 60.6484 38.4485 178.2258 115 V 3.7225 7.8901 119.9665 64.7538 31.7154 178.3572 116 S 4.1699 8.3888 115.8721 61.4276 62.6558 176.6897 117 R 3.8763 8.0129 121.2337 59.3877 29.9670 177.9777 118 D 4.3024 8.4250 118.1017 57.6037 41.3389 177.7003 119 M 3.9654 8.1632 118.6505 59.2298 32.1129 178.1696 120 M 4.1569 8.2544 118.7092 58.3931 32.0795 178.8636 121 I 3.7283 8.2959 120.5794 64.2472 37.2463 178.2869 122 E 3.9633 8.1097 119.2600 59.4806 29.2313 179.4814 123 I 3.5496 7.6072 119.6147 64.0884 37.1225 178.1510 124 L 3.9183 8.1600 121.4730 58.1758 41.9355 178.7922 125 R 3.8916 8.0539 118.5391 59.8254 30.0598 178.1227 126 D 4.3445 8.0997 118.3657 57.4128 40.7257 178.7257 127 E 3.9531 8.3330 119.2733 59.4355 29.3993 179.1611 128 E 4.1548 8.8194 119.2323 59.1708 29.4452 179.5691 129 G 3.7206 8.0709 105.7915 48.2654 0.0000 175.3551 130 H 4.4155 8.0746 118.8332 58.5601 28.6970 177.7639 131 I 3.8085 8.2765 121.9766 64.5907 37.0188 177.6239 132 D 4.4007 8.4518 118.9281 57.2855 41.0026 178.2951 133 W 4.1374 8.3592 128.4531 60.5054 30.8247 177.7554 134 L 3.7633 8.5816 119.2574 57.8961 41.1306 179.3887 135 E 3.9274 8.5004 118.6623 59.7088 29.3304 179.5545 136 T 3.7809 7.8582 115.5549 66.6688 68.5397 176.3845 137 E 3.7615 7.6541 120.2648 59.4764 29.2532 179.5663 138 L 3.7840 7.7015 118.7612 57.7592 41.5541 179.3859 139 D 4.2892 8.1521 118.9558 57.1056 40.6676 178.5966 140 L 3.9810 8.1283 119.9477 57.9058 41.6916 179.5220 141 I 3.4654 7.4604 119.5140 64.4967 36.7514 178.5535 142 Q 3.9368 7.4135 117.4645 58.8940 28.6286 178.6474 143 K 4.1425 8.2072 119.0897 58.9357 32.3004 178.5019 144 M 4.3636 8.4177 114.8446 54.0115 32.4716 177.1108 145 G 4.1175 7.5841 105.9921 45.9990 0.0000 174.3419 146 L 3.9621 8.4751 121.8579 58.0881 42.1374 179.3939 147 Q 3.9999 8.0778 117.3364 59.3356 28.8656 178.6692 148 N 4.3734 8.1534 116.7776 56.2820 38.3601 176.7094 149 Y 3.9698 7.9774 120.2038 60.5865 39.1636 177.8201 150 L 4.0674 8.3860 120.2312 58.0405 41.6864 179.1433 151 Q 3.9344 8.1080 119.0662 59.3027 28.6742 178.0137 152 A 4.1676 7.5568 118.9448 53.3958 18.7036 178.2082 153 Q 4.3192 7.8880 116.2470 55.3775 29.1619 177.5886 154 I 3.8334 7.3359 121.8397 64.0013 37.3687 176.6656 155 R 4.5920 7.5240 117.2679 54.1052 31.7842 176.0531 156 E 4.1364 8.3690 118.7522 55.9464 30.5219 175.8625 157 E 4.0756 8.5181 122.0011 55.3663 30.4373 176.5829 *158 G 3.7285 8.6056 114.1743 45.8875 0.0000 172.1613 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 1 M 8.16 4.20 0.00 1.46 1.78 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.46 0.00 2 K 8.50 4.01 0.00 1.71 1.72 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.47 7.81 3 G 8.71 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 4 D 8.48 4.56 0.00 2.77 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 5 T 8.91 3.87 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 6 K 8.18 3.86 0.00 1.72 1.91 0.00 1.41 0.00 0.00 0.93 0.00 0.00 2.62 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.85 1.06 7.81 7 V 8.54 3.91 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 1.12 0.00 0.00 1.16 0.00 0.00 8 I 7.72 3.74 2.05 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 1.55 0.70 0.92 0.00 0.00 9 N 8.24 4.25 0.00 2.59 2.67 0.00 0.00 7.07 7.03 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 10 Y 7.97 4.10 0.00 3.21 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 11 L 8.61 3.93 0.00 2.00 1.77 1.10 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.50 4.39 0.00 2.88 2.81 0.00 0.00 6.66 8.23 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 13 K 8.30 3.87 0.00 1.76 1.95 0.00 1.58 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.44 1.45 7.81 14 L 8.17 3.82 0.00 0.90 1.19 0.95 0.51 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 15 L 7.88 4.02 0.00 1.67 1.83 1.03 1.15 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 16 G 8.17 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 17 N 8.00 4.35 0.00 2.98 2.92 0.00 0.00 7.07 7.79 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 18 E 8.30 4.08 0.00 2.26 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 2.78 2.90 0.00 19 L 8.20 3.99 0.00 1.93 1.73 0.95 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.76 3.59 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 1.10 0.00 0.00 0.89 0.00 0.00 21 A 8.20 3.87 1.47 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 0.00 0.00 0.00 22 I 8.43 3.76 2.11 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.75 0.91 0.00 0.00 23 N 7.90 4.37 0.00 2.86 2.86 0.00 0.00 6.74 7.99 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 24 Q 8.32 3.84 0.00 2.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.82 0.00 0.00 0.00 0.00 0.00 2.22 2.11 0.00 25 Y 8.48 4.35 0.00 3.23 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 26 F 8.62 3.83 0.00 3.41 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.30 3.98 0.00 1.97 1.60 0.90 1.27 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 28 H 8.25 3.85 0.00 3.53 3.20 0.00 5.71 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.28 4.17 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 30 R 7.84 3.89 0.00 1.80 1.93 0.00 3.32 0.00 0.00 3.12 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.81 0.00 31 M 7.81 3.60 0.00 1.36 1.73 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.33 0.00 32 F 7.70 4.57 0.00 3.31 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 33 K 8.16 3.94 0.00 2.08 1.95 0.00 1.56 0.00 0.00 1.50 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.43 7.81 34 N 8.05 4.29 0.00 2.73 2.77 0.00 0.00 7.32 7.80 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 35 F 8.26 4.77 0.00 3.32 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.09 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 37 L 8.07 4.48 0.00 2.13 1.63 1.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.95 3.82 0.00 2.04 1.83 0.00 1.59 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.57 7.81 39 R 8.27 3.93 0.00 2.11 1.99 0.00 3.49 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 40 L 7.92 4.11 0.00 1.69 1.03 1.09 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.18 4.56 0.00 3.10 3.01 0.00 0.00 7.24 8.49 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 42 D 8.07 4.30 0.00 2.88 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 43 V 7.61 3.36 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 -0.56 0.00 0.00 0.72 0.00 0.00 44 E 8.38 3.83 0.00 2.31 2.34 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 2.63 3.15 0.00 45 Y 8.16 3.83 0.00 2.92 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 46 H 8.31 4.20 0.00 3.23 3.23 0.00 5.66 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 7.54 3.75 0.00 1.53 1.12 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 1.47 1.86 0.00 48 S 7.84 4.08 0.00 3.90 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 49 I 7.34 3.56 1.69 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.69 0.84 0.00 0.00 50 D 7.49 4.21 0.00 2.87 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 51 E 8.14 4.08 0.00 2.24 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 0.00 2.68 2.82 0.00 52 M 8.01 4.06 0.00 2.05 2.24 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.56 0.00 53 K 8.06 3.89 0.00 1.90 1.82 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.64 7.81 54 H 8.03 4.11 0.00 3.55 3.34 0.00 5.65 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.33 4.23 1.47 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 0.00 0.00 0.00 56 D 8.40 4.31 0.00 2.88 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 57 R 7.88 3.89 0.00 1.82 1.78 0.00 3.14 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.75 0.00 58 Y 7.88 4.32 0.00 3.23 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 59 I 8.30 3.78 2.05 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.80 0.95 0.00 0.00 60 E 8.43 4.07 0.00 2.04 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 2.35 2.62 0.00 61 R 8.17 4.04 0.00 2.14 2.22 0.00 3.35 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.86 0.00 62 I 8.54 3.77 1.94 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.71 0.97 0.00 0.00 63 L 8.06 4.04 0.00 2.12 1.80 0.95 1.08 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 64 F 8.18 4.40 0.00 2.95 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 65 L 8.18 4.53 0.00 1.80 1.61 1.03 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.98 3.91 0.00 2.08 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 0.00 2.17 2.28 0.00 67 G 8.17 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 68 L 8.00 4.52 0.00 1.60 1.63 0.92 0.99 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 69 P 0.00 4.37 0.00 2.06 2.03 0.00 3.66 0.00 0.00 3.81 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 70 N 9.44 4.72 0.00 2.59 2.80 0.00 0.00 7.08 7.70 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 71 L 8.34 4.64 0.00 1.63 1.64 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.61 4.15 0.00 1.97 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.48 6.73 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 73 D 8.04 4.67 0.00 2.68 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 74 L 8.28 4.59 0.00 1.52 1.50 0.91 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.44 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 76 K 8.32 4.09 0.00 1.72 1.73 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.45 7.81 77 L 8.37 4.10 0.00 1.64 1.55 0.90 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 78 N 8.88 4.83 0.00 2.62 2.68 0.00 0.00 7.18 7.24 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 79 I 8.58 3.94 1.88 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 1.34 0.94 0.93 0.00 0.00 80 G 8.13 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 81 E 8.67 4.59 0.00 1.98 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 2.25 2.29 0.00 82 D 7.68 5.09 0.00 2.84 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 83 V 8.44 3.96 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 1.21 0.00 0.00 84 E 8.20 3.84 0.00 2.01 1.91 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 2.32 2.26 0.00 85 E 8.40 3.96 0.00 2.29 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 2.33 2.34 0.00 86 M 8.29 4.09 0.00 2.21 1.79 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.91 0.00 87 L 8.45 4.14 0.00 2.02 1.77 1.27 0.61 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 88 R 8.43 3.91 0.00 2.11 1.93 0.00 3.09 0.00 0.00 3.08 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 89 S 8.13 4.09 0.00 4.07 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 90 D 8.15 4.21 0.00 3.11 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 91 L 8.18 3.97 0.00 1.82 1.89 0.98 0.93 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 92 A 8.22 3.98 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 93 L 7.91 3.93 0.00 1.86 1.81 0.90 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 94 E 8.26 4.05 0.00 2.47 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 95 L 8.24 4.02 0.00 2.09 1.73 0.96 1.31 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 96 D 8.34 4.53 0.00 2.85 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 97 G 8.35 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 A 8.42 4.07 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 99 K 7.98 3.85 0.00 2.06 2.02 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.51 7.81 100 N 8.08 4.43 0.00 2.88 2.91 0.00 0.00 7.11 6.02 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 0.00 101 L 8.06 3.98 0.00 2.02 1.74 0.98 0.78 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 0.00 102 R 8.21 3.89 0.00 1.98 1.98 0.00 3.14 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.97 0.00 103 E 8.11 3.86 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 2.36 2.38 0.00 104 A 7.97 2.81 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 I 8.02 3.70 2.02 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 1.46 1.06 0.91 0.00 0.00 106 G 7.60 3.60 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 0.00 107 Y 7.66 4.10 0.00 3.08 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 0.00 108 A 8.14 3.80 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 0.00 109 D 7.89 4.07 0.00 2.86 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 0.00 110 S 7.51 4.17 0.00 3.97 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 6.85 4.02 1.94 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 0.53 0.00 0.00 0.66 0.00 0.00 112 H 7.14 2.81 0.00 3.15 3.32 0.00 5.84 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.40 4.56 0.00 2.64 2.48 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 0.00 114 Y 7.50 4.32 0.00 3.07 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 0.00 115 V 7.89 3.72 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 0.93 0.00 0.00 0.98 0.00 0.00 116 S 8.39 4.17 0.00 4.18 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 R 8.01 3.88 0.00 1.91 2.21 0.00 3.33 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 118 D 8.42 4.30 0.00 2.98 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 0.00 119 M 8.16 3.97 0.00 2.27 2.04 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.47 0.00 120 M 8.25 4.16 0.00 2.15 2.26 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 2.81 0.00 121 I 8.30 3.73 2.00 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 1.53 0.85 0.91 0.00 0.00 122 E 8.11 3.96 0.00 2.17 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 2.32 2.34 0.00 123 I 7.61 3.55 1.92 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.52 0.74 0.00 0.00 124 L 8.16 3.92 0.00 1.85 1.85 0.95 1.14 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 0.00 125 R 8.05 3.89 0.00 2.00 2.14 0.00 3.15 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 1.63 1.69 0.00 126 D 8.10 4.34 0.00 2.97 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 0.00 127 E 8.33 3.95 0.00 2.13 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 2.62 2.55 0.00 128 E 8.82 4.15 0.00 2.10 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 0.00 2.36 2.36 0.00 129 G 8.07 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 0.00 130 H 8.07 4.42 0.00 3.55 3.56 0.00 5.66 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 0.00 131 I 8.28 3.81 2.11 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.93 0.97 0.00 0.00 132 D 8.45 4.40 0.00 2.90 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 0.00 133 W 8.36 4.14 0.00 3.54 3.49 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 0.00 134 L 8.58 3.76 0.00 2.10 1.76 1.37 1.19 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 0.00 135 E 8.50 3.93 0.00 2.11 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.52 0.00 136 T 7.86 3.78 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 0.00 137 E 7.65 3.76 0.00 1.57 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 138 L 7.70 3.78 0.00 1.74 1.60 0.88 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 139 D 8.15 4.29 0.00 2.76 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 0.00 140 L 8.13 3.98 0.00 1.87 1.85 0.95 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.46 3.47 1.71 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.03 -0.05 0.71 0.00 0.00 142 Q 7.41 3.94 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.98 0.00 0.00 0.00 0.00 0.00 2.49 2.49 0.00 143 K 8.21 4.14 0.00 1.68 1.86 0.00 1.68 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.61 7.81 144 M 8.42 4.36 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.84 0.00 145 G 7.58 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 0.00 0.00 0.00 146 L 8.48 3.96 0.00 1.75 1.68 0.95 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 147 Q 8.08 4.00 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 148 N 8.15 4.37 0.00 2.97 2.88 0.00 0.00 6.67 7.48 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 0.00 149 Y 7.98 3.97 0.00 3.01 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 0.00 150 L 8.39 4.07 0.00 2.04 1.70 1.07 0.72 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 0.00 151 Q 8.11 3.93 0.00 2.11 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 152 A 7.56 4.17 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 0.00 153 Q 7.89 4.32 0.00 1.90 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.76 0.00 0.00 0.00 0.00 0.00 1.97 2.14 0.00 154 I 7.34 3.83 1.97 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 1.30 0.44 0.90 0.00 0.00 155 R 7.52 4.59 0.00 1.77 1.82 0.00 3.19 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 156 E 8.37 4.14 0.00 2.08 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 2.26 2.28 0.00 157 E 8.52 4.08 0.00 1.95 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 2.26 2.30 0.00 *158 G 8.61 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.