NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 3.3923 8.2493 123.5715 51.0444 19.9466 177.3034 2 P 4.4695 0.0000 0.0000 61.1093 33.7132 174.7465 3 P 4.3847 0.0000 0.0000 66.5374 31.4105 180.2506 4 T 3.8877 7.8686 112.6279 66.3423 68.6566 176.0568 5 L 4.0274 7.7613 121.7826 58.0604 42.2523 178.7813 6 W 4.2776 8.0301 119.0792 59.8784 28.7629 178.4916 7 S 4.3814 8.2051 113.0259 60.9914 62.6941 176.3383 8 R 4.1882 7.9467 122.0454 57.5331 29.6212 176.2873 9 V 4.6587 7.4549 119.6445 63.1114 32.3072 175.8174 10 T 5.1310 9.5173 124.2756 61.4545 72.6782 173.3593 11 K 3.5061 9.2220 127.7877 56.6263 33.0292 176.0378 12 F 4.6584 9.0367 128.7390 58.0905 43.5082 173.3738 13 G 3.4569 7.5748 117.7941 47.1888 0.0000 173.7565 14 S 4.6675 8.8886 119.9632 57.9771 64.2498 172.9361 15 G 4.1537 7.7195 114.6828 45.8647 0.0000 175.1237 16 W 5.8071 9.8685 126.2690 55.3526 34.2783 172.7730 17 G 3.9160 9.5802 107.3754 45.3753 0.0000 170.8958 18 F 5.1087 6.9829 121.1508 56.3024 42.9334 174.1270 19 W 4.7185 8.2753 126.9958 56.4069 28.5693 176.6603 20 V 3.8436 9.0251 127.2259 65.4211 31.3602 175.5598 21 S 4.7854 7.8175 112.2116 56.6454 65.5155 172.6865 22 P 4.0163 0.0000 0.0000 65.2469 31.1162 177.7052 23 T 4.8277 8.1260 105.5686 60.9938 71.1187 173.7260 24 V 5.1360 7.9579 123.4601 61.2717 34.0038 173.9845 25 F 5.1360 9.4151 130.1316 56.1545 42.4492 173.5213 26 I 4.4337 7.6619 118.8745 59.5791 40.8788 174.1956 27 T 4.4600 7.6479 117.3393 61.7125 71.7044 171.6499 28 T 4.6135 8.0802 119.5202 62.5165 69.6584 176.3639 29 T 3.9286 8.7517 124.3568 67.1245 68.6618 175.9133 30 H 4.4776 8.2588 114.3789 57.3431 28.8785 176.3067 31 V 4.3297 7.6555 112.8036 61.0406 32.1449 176.0641 32 V 3.9079 7.5636 121.3191 61.7627 31.6642 173.9573 33 P 4.2938 0.0000 0.0000 63.1393 30.5038 175.6210 34 T 4.3552 8.3426 114.9037 61.9445 68.6543 174.4794 35 G 3.8544 8.5951 112.7314 46.7543 0.0000 173.8912 36 V 4.2960 6.9198 109.6011 59.3942 34.0758 176.2426 37 K 4.3715 8.0719 118.8352 56.1018 32.9248 175.6911 38 E 4.8418 7.0919 115.9190 55.0316 32.2642 173.7883 39 F 5.0063 8.4132 118.4511 57.1178 41.7629 175.6168 40 F 4.1468 9.7555 122.6007 58.5903 36.4257 176.6660 41 G 4.0139 8.6443 107.0540 44.7750 0.0000 173.7519 42 E 4.6370 8.3248 121.0025 53.6331 31.0497 174.0649 43 P 4.7886 0.0000 0.0000 62.4892 32.3120 177.2136 44 L 3.8128 8.2380 120.6809 58.0358 41.6558 179.8101 45 S 4.2391 7.9731 111.5327 60.2671 63.1638 174.6849 46 S 4.6051 8.3053 115.8434 58.2367 63.2818 173.1146 47 I 4.6745 7.5107 121.6737 59.5751 39.9505 175.0493 48 A 4.4332 8.8977 128.9250 51.1466 19.8471 176.2449 49 I 4.9711 8.4484 123.6333 60.7421 39.1595 175.1903 50 H 5.0796 9.4050 125.6297 54.1134 31.1112 173.5074 51 Q 5.1763 8.8408 121.6343 54.0304 32.3387 175.2187 52 A 4.4514 9.1037 126.6476 51.2330 22.0754 176.2391 53 G 3.7174 8.3221 113.7812 48.0462 0.0000 173.8181 54 E 4.2704 8.8285 124.4910 56.2527 29.7327 174.5748 55 F 4.7647 8.3633 123.6519 56.8677 41.1291 174.4460 56 T 4.9191 8.0311 122.9215 61.6033 71.5913 172.8622 57 Q 4.6534 9.1351 127.1053 54.1382 32.4531 173.7994 58 F 5.4446 8.8909 124.7946 55.7330 41.9721 174.4842 59 R 5.0679 8.9475 124.3978 54.6005 31.6920 175.0777 60 F 4.6507 9.4767 126.1782 57.5060 39.3715 176.4848 61 S 4.4003 8.6502 118.1398 61.0049 63.3127 175.0958 62 K 4.2816 8.1134 119.6388 54.7810 32.9961 176.1059 63 K 4.0688 8.4918 124.9244 57.0127 31.8629 176.5972 64 M 3.9150 8.4770 125.1210 56.5629 33.1312 177.4003 65 R 4.2149 6.6770 115.9897 53.5687 30.3073 174.1716 66 P 4.3167 0.0000 0.0000 64.5121 31.9904 178.2481 67 D 4.3893 7.8042 118.0855 55.2609 39.7683 176.2684 68 L 4.4873 7.4705 120.2284 53.2217 42.9181 176.6680 69 T 4.1502 8.2251 112.4308 61.0022 69.6499 174.6648 70 G 3.8043 8.4368 112.0417 45.9664 0.0000 172.3105 71 M 4.9893 8.3898 118.2868 52.9324 35.1865 174.7164 72 V 3.9913 8.3252 118.8966 62.3591 33.0498 174.0174 73 L 5.1883 8.6127 129.8547 53.5840 43.6235 175.0519 74 E 4.6829 9.0307 125.3295 54.4175 33.4707 175.5431 75 E 4.0713 8.7085 122.5726 55.6514 28.5497 177.4397 76 G 4.0807 8.4955 115.9361 45.0612 0.0000 169.9721 77 C 4.7218 8.4028 112.5272 55.8526 33.0170 171.9063 78 P 4.3404 0.0000 0.0000 62.1906 31.7493 175.9868 79 E 3.9983 8.6428 119.7322 58.6555 29.6997 178.6834 80 G 4.0238 9.1279 112.1233 45.2583 0.0000 173.8421 81 T 3.9121 7.6476 117.8582 63.7044 69.5394 173.5805 82 V 4.4260 8.3626 126.6280 62.6425 32.3945 174.8526 83 C 5.0436 9.2027 125.6734 58.0935 32.0159 172.4359 84 S 5.0048 9.1390 114.5803 56.5880 65.0545 172.7361 85 V 3.9515 8.5340 127.6841 61.6974 32.4741 175.1133 86 L 4.5205 8.0612 130.1991 53.6147 40.2455 174.6095 87 I 3.9509 7.8416 122.5574 60.3600 38.6642 174.6565 88 K 4.6645 7.8402 126.3783 54.8692 33.8909 176.1773 89 R 4.7332 8.4323 122.4207 54.4863 32.4079 177.2602 90 D 4.6387 9.2189 121.0247 57.7005 40.9816 178.6536 91 S 4.2127 8.0612 112.4103 59.5108 63.2356 174.8732 92 G 4.0609 8.2968 108.5515 44.9702 0.0000 173.7567 93 E 3.9030 8.0587 121.5346 56.7663 30.6544 175.5449 94 L 4.4590 8.0657 125.9030 53.1137 43.1854 176.7818 95 L 4.8158 8.7948 125.4650 52.4053 41.6385 172.6162 96 P 4.7598 0.0000 0.0000 62.4114 32.6771 176.4198 97 L 4.7950 8.5815 124.0463 52.5587 44.5426 175.6554 98 A 4.6995 8.5043 125.6505 51.7994 20.1220 176.2962 99 V 4.7615 8.6623 121.0191 61.2387 35.7066 173.8255 100 R 4.8845 8.8807 128.5241 55.2449 31.3759 175.4136 101 M 4.5636 9.2524 127.3646 54.3097 33.3662 176.3647 102 G 5.0689 9.0047 108.2196 46.0805 0.0000 174.5959 103 A 4.5645 8.6171 127.0070 51.2474 20.3108 175.9459 104 I 4.5868 8.1889 121.5381 60.6419 38.8813 174.9122 105 A 4.7863 8.7799 127.0669 51.2074 23.4184 175.0328 106 S 4.9971 8.5768 115.6988 57.9648 63.9023 173.9963 107 M 4.7943 9.0229 125.1220 53.2273 35.3866 175.0337 108 R 4.6727 8.5728 123.5191 55.9510 31.3424 175.6943 109 I 4.4639 8.9285 127.0708 60.7199 40.5005 175.5977 110 Q 3.3744 10.0095 125.9862 56.9376 26.1683 174.9731 111 G 4.0100 8.4665 105.1365 44.9786 0.0000 173.6225 112 R 4.7256 7.6464 118.7675 54.1215 33.0239 175.4666 113 L 4.6130 8.4854 123.0375 54.6297 42.6761 176.4027 114 V 4.3270 8.9466 124.1817 61.1442 34.3636 173.8478 115 H 4.8725 8.9746 128.7631 56.3704 30.8738 174.0284 116 G 4.3096 8.4844 113.0605 45.7591 0.0000 170.3475 117 Q 5.0840 8.7605 120.9663 54.1966 32.1225 175.8046 118 S 4.9862 8.6308 120.8707 58.2310 65.4272 172.9142 119 G 4.4238 8.9073 106.3640 45.7862 0.0000 171.5204 120 M 5.1941 8.7115 120.6217 53.1461 34.4151 175.1330 121 L 4.4141 8.7567 127.1977 55.2630 42.1746 177.0703 122 L 4.4947 8.8182 123.2789 55.2658 42.1874 176.6136 *134 T 4.2731 7.7323 108.9732 61.3913 69.9080 172.7724 135 I 4.7336 8.8061 115.0907 58.1290 40.9053 174.7948 136 P 4.3038 0.0000 0.0000 65.7606 31.2320 178.8461 137 G 3.9600 8.1381 105.0700 47.5248 0.0000 173.6715 138 D 4.7507 8.4171 119.7361 55.4011 41.5903 176.3700 139 C 4.6142 8.0286 118.4370 61.5134 28.5491 174.6820 140 G 4.4454 9.3158 111.7634 45.4125 0.0000 173.9712 141 A 4.2841 7.9653 122.2814 51.5328 19.5853 175.3759 142 P 4.7314 0.0000 0.0000 62.7705 33.3778 174.5993 143 Y 4.8905 8.9295 120.1768 56.9294 39.5684 175.2467 144 V 5.2110 8.7773 117.6853 59.9780 36.1298 174.3364 145 H 5.2614 9.1050 116.7024 54.2615 32.2862 172.0576 146 K 3.9103 8.0885 121.0979 55.0320 33.5564 175.9603 147 R 4.3021 8.5533 127.2032 54.9927 32.5543 175.4199 148 G 3.7621 8.0781 117.0523 47.3188 0.0000 173.7829 149 N 4.5884 8.8361 121.8910 52.9402 39.0449 173.6938 150 D 5.0818 7.6721 118.1584 52.2056 43.9082 174.5416 151 W 5.0641 8.5627 119.3377 55.0058 31.9689 175.6636 152 V 4.7340 8.8658 123.1749 61.0721 34.1620 174.4745 153 V 4.8568 8.6784 127.1143 60.3355 33.7369 175.7718 154 C 5.5557 8.5549 115.6024 56.1999 32.0881 173.0604 155 G 4.1795 7.2953 106.0573 46.4623 0.0000 172.5051 156 V 5.0025 7.8738 112.3728 59.1618 35.6716 175.3180 157 H 4.5656 9.6739 125.2794 56.8148 30.1105 175.3852 158 A 4.5859 8.7257 126.2000 52.7643 21.4699 175.6146 159 A 4.6782 7.4739 113.8738 51.3091 22.6816 175.2515 160 A 5.2226 8.3020 119.9117 50.4065 22.3968 176.4721 161 T 4.0923 8.5181 110.8307 61.3432 69.3343 175.0866 162 K 4.0833 8.8258 122.8912 59.1551 32.2501 176.8856 163 S 4.5921 7.6492 110.1667 57.1176 66.1084 173.7423 164 G 3.8776 8.6003 107.3484 45.1407 0.0000 173.3100 165 N 4.4891 8.2995 115.2085 53.3921 35.1533 173.1609 166 T 5.0552 7.6172 114.9750 63.1167 70.7635 174.3696 167 V 5.0810 8.8901 118.0086 59.6299 36.6240 174.5929 168 V 4.8921 8.9068 121.7302 61.3469 34.7778 173.8300 169 C 4.8115 8.3401 122.3004 56.1678 31.9486 173.1172 170 A 4.6071 8.6731 124.0225 52.2427 19.2280 176.8150 171 V 4.5451 7.8806 112.8875 58.8775 35.6218 175.8865 172 Q 3.1911 7.6921 120.4071 55.6619 29.0577 177.2030 173 A 3.9273 8.3494 123.4286 51.3603 19.0520 177.1015 174 G 4.5134 7.5259 117.6101 45.0387 0.0000 171.6443 175 E 4.5483 7.9471 125.2786 54.6876 31.8375 174.6390 176 G 4.0426 7.7111 110.4650 45.0362 0.0000 174.3035 177 E 4.0929 8.8461 118.8967 58.4793 29.5370 178.2782 178 T 4.2267 7.8188 106.7840 61.5623 69.7559 174.3018 179 A 4.6767 7.3512 124.7005 50.1987 21.0686 176.3403 180 L 4.1393 8.2313 121.3355 55.3673 42.1722 177.5442 181 E 4.4445 9.0823 122.3584 56.7290 29.0518 175.6625 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 A 8.25 3.39 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 2 P 0.00 4.47 0.00 2.39 2.26 0.00 3.03 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.20 0.00 3 P 0.00 4.38 0.00 2.22 2.20 0.00 3.65 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.24 0.00 4 T 7.87 3.89 4.26 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 0.00 0.00 1.21 0.00 0.00 5 L 7.76 4.03 0.00 1.48 1.46 0.99 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 6 W 8.03 4.28 0.00 3.62 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 S 8.21 4.38 0.00 4.07 4.20 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 8 R 7.95 4.19 0.00 1.63 1.13 0.00 2.95 0.00 0.00 2.74 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.71 0.00 9 V 7.45 4.66 2.44 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 0.89 0.00 0.00 1.15 0.00 0.00 10 T 9.52 5.13 4.80 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 0.00 0.00 1.60 0.00 0.00 11 K 9.22 3.51 0.00 1.42 1.68 0.00 0.61 0.00 0.00 0.75 0.00 0.00 2.58 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.16 1.15 7.81 12 F 9.04 4.66 0.00 3.38 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 13 G 7.57 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.89 4.67 0.00 4.02 4.04 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 15 G 7.72 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 16 W 9.87 5.81 0.00 3.39 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 9.58 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 18 F 6.98 5.11 0.00 2.88 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 19 W 8.28 4.72 0.00 3.03 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 V 9.03 3.84 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 1.14 0.00 0.00 1.12 0.00 0.00 21 S 7.82 4.79 0.00 4.06 4.03 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 22 P 0.00 4.02 0.00 2.18 2.11 0.00 3.56 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.29 0.00 23 T 8.13 4.83 4.63 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 1.30 0.00 0.00 24 V 7.96 5.14 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 1.07 0.00 0.00 25 F 9.42 5.14 0.00 2.37 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 26 I 7.66 4.43 1.19 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 1.18 0.34 0.88 0.00 0.00 27 T 7.65 4.46 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 0.81 0.00 0.00 28 T 8.08 4.61 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 1.14 0.00 0.00 29 T 8.75 3.93 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 1.25 0.00 0.00 30 H 8.26 4.48 0.00 3.27 3.57 0.00 5.54 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 V 7.66 4.33 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 1.03 0.00 0.00 1.05 0.00 0.00 32 V 7.56 3.91 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.17 0.00 0.00 33 P 0.00 4.29 0.00 2.18 1.90 0.00 3.42 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.59 0.00 34 T 8.34 4.36 4.26 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 0.00 0.00 1.21 0.00 0.00 35 G 8.60 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 V 6.92 4.30 1.87 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 0.71 0.00 0.00 0.70 0.00 0.00 37 K 8.07 4.37 0.00 1.69 1.69 0.00 1.63 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.30 7.81 38 E 7.09 4.84 0.00 2.17 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 2.16 2.24 0.00 39 F 8.41 5.01 0.00 3.11 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 40 F 9.76 4.15 0.00 3.13 2.99 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 41 G 8.64 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.32 4.64 0.00 2.54 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.66 0.00 43 P 0.00 4.79 0.00 2.19 2.16 0.00 3.76 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.00 0.00 44 L 8.24 3.81 0.00 1.65 1.67 0.77 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 45 S 7.97 4.24 0.00 3.97 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 46 S 8.31 4.61 0.00 4.06 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 I 7.51 4.67 1.78 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.78 0.36 0.00 0.00 48 A 8.90 4.43 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 49 I 8.45 4.97 2.01 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.72 1.22 0.00 0.00 50 H 9.41 5.08 0.00 3.09 3.23 0.00 5.57 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 Q 8.84 5.18 0.00 1.94 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.83 0.00 0.00 0.00 0.00 0.00 2.26 2.42 0.00 52 A 9.10 4.45 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 53 G 8.32 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 54 E 8.83 4.27 0.00 2.04 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 2.26 0.00 55 F 8.36 4.76 0.00 3.22 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 T 8.03 4.92 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 0.72 0.00 0.00 57 Q 9.14 4.65 0.00 2.13 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.77 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 58 F 8.89 5.44 0.00 2.89 2.17 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 59 R 8.95 5.07 0.00 1.87 1.80 0.00 3.13 0.00 0.00 3.23 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 60 F 9.48 4.65 0.00 3.18 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 61 S 8.65 4.40 0.00 3.79 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 62 K 8.11 4.28 0.00 1.83 1.75 0.00 1.78 0.00 0.00 1.78 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.44 7.81 63 K 8.49 4.07 0.00 1.73 1.68 0.00 1.78 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.46 7.81 64 M 8.48 3.92 0.00 1.14 1.06 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 2.61 0.00 65 R 6.68 4.21 0.00 1.02 1.42 0.00 2.79 0.00 0.00 2.85 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 66 P 0.00 4.32 0.00 2.09 2.09 0.00 3.60 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.84 0.00 67 D 7.80 4.39 0.00 2.74 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 68 L 7.47 4.49 0.00 1.68 1.58 0.80 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 69 T 8.23 4.15 4.26 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 0.00 0.00 1.22 0.00 0.00 70 G 8.44 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 71 M 8.39 4.99 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.79 0.00 72 V 8.33 3.99 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 0.95 0.00 0.00 0.96 0.00 0.00 73 L 8.61 5.19 0.00 1.76 1.61 1.10 1.09 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 74 E 9.03 4.68 0.00 1.93 1.79 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 2.21 2.22 0.00 75 E 8.71 4.07 0.00 1.89 1.79 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 2.26 2.32 0.00 76 G 8.50 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 0.00 0.00 0.00 0.00 77 C 8.40 4.72 0.00 2.92 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 78 P 0.00 4.34 0.00 2.16 1.99 0.00 3.56 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.09 0.00 79 E 8.64 4.00 0.00 1.97 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 2.39 2.27 0.00 80 G 9.13 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 81 T 7.65 3.91 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 82 V 8.36 4.43 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 83 C 9.20 5.04 0.00 2.89 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 84 S 9.14 5.00 0.00 3.86 3.61 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 85 V 8.53 3.95 1.74 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 0.56 0.00 0.00 -0.16 0.00 0.00 86 L 8.06 4.52 0.00 1.05 0.25 0.10 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 87 I 7.84 3.95 2.05 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.40 0.85 0.00 0.00 88 K 7.84 4.66 0.00 0.79 1.12 0.00 1.82 0.00 0.00 1.79 0.00 0.00 2.99 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.21 1.50 7.81 89 R 8.43 4.73 0.00 1.70 1.88 0.00 3.34 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.72 0.00 90 D 9.22 4.64 0.00 2.78 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 91 S 8.06 4.21 0.00 3.99 4.03 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 92 G 8.30 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 E 8.06 3.90 0.00 2.05 1.79 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 2.21 2.22 0.00 94 L 8.07 4.46 0.00 0.96 0.14 -0.23 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 95 L 8.79 4.82 0.00 1.46 1.48 0.90 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 96 P 0.00 4.76 0.00 2.21 2.36 0.00 3.81 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.26 0.00 97 L 8.58 4.79 0.00 1.48 1.51 0.86 0.45 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 98 A 8.50 4.70 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 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0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.43 0.00 108 R 8.57 4.67 0.00 1.82 1.84 0.00 3.18 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 109 I 8.93 4.46 1.87 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 0.72 0.91 0.00 0.00 110 Q 10.01 3.37 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.64 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 111 G 8.47 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 R 7.65 4.73 0.00 1.89 1.83 0.00 3.13 0.00 0.00 3.18 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 113 L 8.49 4.61 0.00 1.54 1.62 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.95 4.33 2.17 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 1.01 0.00 0.00 0.94 0.00 0.00 115 H 8.97 4.87 0.00 3.21 3.17 0.00 5.76 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 1.10 0.00 0.00 135 I 8.81 4.73 1.93 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.85 0.94 0.00 0.00 136 P 0.00 4.30 0.00 2.26 2.21 0.00 3.65 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.14 0.00 137 G 8.14 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 0.00 138 D 8.42 4.75 0.00 2.89 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 0.00 139 C 8.03 4.61 0.00 3.13 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 0.00 140 G 9.32 4.45 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 0.00 141 A 7.97 4.28 1.25 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 0.00 0.00 142 P 0.00 4.73 0.00 1.33 1.16 0.00 3.73 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 143 Y 8.93 4.89 0.00 2.82 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 0.00 144 V 8.78 5.21 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 0.42 0.00 0.00 0.85 0.00 0.00 145 H 9.10 5.26 0.00 3.12 3.35 0.00 5.25 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 K 8.09 3.91 0.00 0.79 1.07 0.00 0.84 0.00 0.00 1.20 0.00 0.00 2.61 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.95 0.24 7.81 147 R 8.55 4.30 0.00 1.67 1.63 0.00 3.24 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 1.45 1.48 0.00 148 G 8.08 3.76 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 0.00 0.00 0.00 149 N 8.84 4.59 0.00 2.70 2.86 0.00 0.00 6.59 8.06 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 0.00 150 D 7.67 5.08 0.00 2.69 2.60 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 0.00 151 W 8.56 5.06 0.00 3.13 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 0.00 152 V 8.87 4.73 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 1.04 0.00 0.00 0.87 0.00 0.00 153 V 8.68 4.86 1.83 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 0.87 0.00 0.00 0.59 0.00 0.00 154 C 8.55 5.56 0.00 3.08 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 G 7.30 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 156 V 7.87 5.00 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 0.46 0.00 0.00 0.77 0.00 0.00 157 H 9.67 4.57 0.00 3.61 3.35 0.00 5.72 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 0.00 158 A 8.73 4.59 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 0.00 159 A 7.47 4.68 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 0.00 160 A 8.30 5.22 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 0.00 161 T 8.52 4.09 4.31 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 0.00 0.00 0.00 1.23 0.00 0.00 162 K 8.83 4.08 0.00 1.78 1.93 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.45 7.81 163 S 7.65 4.59 0.00 3.91 3.80 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 0.00 0.00 0.00 164 G 8.60 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 0.00 165 N 8.30 4.49 0.00 3.12 3.31 0.00 0.00 6.10 7.22 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 0.00 166 T 7.62 5.06 4.26 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 0.00 0.00 1.28 0.00 0.00 167 V 8.89 5.08 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 0.79 0.00 0.00 1.14 0.00 0.00 168 V 8.91 4.89 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 1.06 0.00 0.00 0.92 0.00 0.00 169 C 8.34 4.81 0.00 2.53 1.18 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 0.00 0.00 0.00 170 A 8.67 4.61 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 0.00 171 V 7.88 4.55 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 0.61 0.00 0.00 0.69 0.00 0.00 172 Q 7.69 3.19 0.00 1.69 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.96 0.00 0.00 0.00 0.00 0.00 1.78 1.37 0.00 173 A 8.35 3.93 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 G 7.53 4.51 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 0.00 0.00 0.00 175 E 7.95 4.55 0.00 1.87 1.81 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 2.19 2.32 0.00 176 G 7.71 4.04 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 0.00 0.00 0.00 177 E 8.85 4.09 0.00 1.96 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 2.30 2.29 0.00 178 T 7.82 4.23 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 179 A 7.35 4.68 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 0.00 180 L 8.23 4.14 0.00 1.73 1.62 0.91 1.12 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 0.00 181 E 9.08 4.44 0.00 2.02 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.15 0.00 * Residues marked with a * may have inaccurate shift predictions.