NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3491 8.0333 115.2477 62.2412 69.5533 175.8334 6 V 3.5305 7.8104 114.4529 62.8038 31.5943 177.0941 7 S 4.7015 8.8058 116.1765 61.2052 63.3374 176.2965 8 S 4.2280 8.0170 118.2056 61.0967 62.5800 176.2557 9 F 4.2865 8.3199 123.5886 61.4348 39.1130 177.3593 10 Q 4.0870 8.3021 117.8091 58.7162 28.5709 178.9545 11 V 3.6465 7.7652 119.1913 65.9970 31.6138 177.8576 12 D 4.3590 7.9577 118.0606 57.8445 40.2675 178.3058 13 C 3.6974 7.7308 117.1255 63.0697 27.8077 176.3564 14 F 4.2124 7.9348 120.6038 61.1437 39.1724 177.2388 15 L 4.0169 7.8914 118.3234 57.3501 41.3592 178.7231 16 W 4.1194 8.3882 128.3721 61.1251 30.3346 177.2501 17 H 4.2362 7.9383 116.7261 59.7169 29.2956 176.7254 18 V 3.7547 6.9949 112.6232 63.4928 32.0654 178.1305 19 R 3.9314 7.8767 118.7268 58.8807 29.7180 178.1287 20 K 3.3498 7.5027 119.1975 59.5133 31.5473 178.1276 21 R 3.8369 7.9006 117.4762 59.5857 29.8221 178.1076 22 F 4.3861 8.0192 120.1687 60.6206 39.0522 176.7697 23 A 3.8132 7.9196 117.5210 53.7685 19.3712 177.9646 24 D 4.4010 7.8753 116.2613 56.9461 41.0711 176.8597 25 Q 4.4224 7.3878 114.1841 57.4507 31.4839 176.6928 26 E 4.3018 7.2837 123.0260 55.7529 29.1250 179.1224 27 L 3.7913 8.2160 124.4042 58.3803 43.3941 178.4970 28 G 3.7463 6.3138 105.5176 45.2908 0.0000 173.4312 29 D 5.0285 8.6022 124.2830 52.3284 42.6380 176.7195 30 A 4.0111 8.3306 129.1686 55.0124 18.5002 178.2621 31 P 4.2227 0.0000 0.0000 65.6457 31.4568 178.6151 32 F 4.1407 9.7990 120.6016 61.3563 39.3596 176.9457 33 L 4.0543 8.3959 119.5477 57.6465 41.8378 178.5455 34 D 4.4047 8.2202 119.4195 57.3009 40.7955 178.7465 35 R 3.9432 8.2421 119.1056 59.0789 30.0257 178.8933 36 L 4.0632 7.7920 120.2491 57.9487 41.9467 179.1974 37 R 4.0017 8.0841 117.8987 59.3379 29.9308 178.9250 38 A 3.9989 8.6334 120.7527 55.4003 18.2883 179.4813 39 D 3.8966 8.7467 117.5423 57.1467 40.8290 178.7638 40 Q 3.3180 8.2968 120.3375 58.5994 28.9365 177.8332 41 A 3.9591 8.2560 122.4043 55.1077 18.4492 179.7727 42 S 4.0978 9.0786 113.9341 61.5124 62.9434 176.8170 43 L 4.1450 7.6030 122.7487 57.8204 41.2147 178.8362 44 R 3.9906 7.9620 118.0548 59.3471 29.5847 178.8353 45 G 3.8014 8.6306 105.1110 48.4882 0.0000 175.7615 46 R 4.1213 8.1897 120.9574 58.2885 30.0217 179.4225 47 G 3.3962 8.3221 105.9353 47.7048 0.0000 175.5456 48 N 4.3300 7.9315 118.9957 56.2952 38.3782 177.7175 49 T 3.9663 7.2370 108.6714 64.7022 68.9794 176.3299 50 L 3.9875 7.6319 120.4390 54.6191 42.5929 176.7576 51 G 3.7976 7.6700 105.0593 45.5698 0.0000 173.1532 52 L 4.6688 7.8179 117.4744 53.6291 46.1078 174.2131 53 D 5.0728 8.1891 122.5474 51.9794 44.7690 177.3946 54 I 3.5108 8.3782 123.3761 64.6246 36.8343 177.9213 55 E 3.9141 8.2459 119.3431 59.4172 29.2492 178.8430 56 T 3.9469 7.8289 108.9588 65.3511 68.6030 175.9843 57 A 4.0328 7.9856 123.3090 54.7910 18.4700 179.6118 58 T 3.9299 7.9237 114.3644 66.7242 68.6270 177.1687 59 R 3.8886 7.6798 118.4385 59.3489 30.1305 179.0349 60 A 4.1773 7.8220 120.4239 54.8535 18.2473 180.0028 61 G 3.4023 7.7962 104.1993 48.0948 0.0000 175.4236 62 K 2.0000 7.5192 122.5688 60.0165 31.8930 179.5308 63 Q 3.8867 7.6419 118.4805 60.5066 28.0357 181.0504 64 I 3.8480 7.5752 119.3952 62.9292 38.0921 177.1487 65 V 4.1070 7.4425 118.2321 64.7499 32.1914 177.5080 66 E 4.0635 8.5029 116.8533 58.6440 29.2653 179.1836 67 R 4.1593 7.6513 120.4849 59.7749 30.3588 179.2890 68 I 3.9413 7.6525 117.9777 64.2094 35.9237 179.4561 69 L 4.8006 7.8580 119.7058 53.5147 40.4009 177.7454 70 E 4.4541 8.5067 116.4861 57.5246 34.1544 176.5281 71 G 4.0583 7.0944 108.0121 44.6736 0.0000 175.1259 72 E 4.5029 8.6779 123.6903 55.1699 31.4603 176.0510 73 S 3.7445 7.6760 114.3645 59.7728 61.0668 169.8803 74 D 4.9327 7.3985 126.1504 53.5800 40.9332 176.8891 *80 P 4.1830 0.0000 0.0000 63.5803 32.3962 178.7310 81 A 4.1814 7.8306 121.9151 53.0729 16.9585 177.2123 82 S 4.5722 8.1421 115.5609 58.2075 63.9715 174.3027 83 R 4.4265 7.9415 122.1899 55.9027 30.8743 172.8606 84 Y 5.0707 8.2167 116.9607 57.2195 41.7873 174.9702 85 L 4.5844 8.4002 127.0809 52.8620 45.4276 175.7525 86 T 4.6024 7.7951 111.7110 60.5139 70.7335 173.1176 87 D 4.6671 8.8842 125.2338 54.8162 42.3796 176.7388 88 M 4.7953 8.5443 118.1189 53.6077 34.2593 176.4917 89 T 4.3326 8.3397 113.3087 60.8169 71.5388 175.8425 90 L 3.9993 8.4956 121.3624 58.1506 41.6014 179.4705 91 E 3.9346 8.1636 118.4016 59.5322 29.4574 178.5947 92 E 4.1210 7.6905 116.8865 59.7981 29.5584 179.0105 93 M 4.3268 8.1675 118.1401 57.1066 32.2091 177.7506 94 S 4.6860 7.8044 111.6020 57.0256 64.5188 174.4947 95 R 4.0521 7.4361 123.3631 56.7691 30.4087 175.8103 96 D 4.8409 8.6182 124.1941 54.2777 41.6832 175.3527 97 W 4.9279 8.2398 117.2429 56.2490 30.4021 173.2439 98 F 4.3656 7.8337 112.6468 55.5490 40.1468 173.3093 99 M 4.6529 8.0156 121.2551 53.6121 33.6368 176.3052 100 L 4.2916 9.9610 126.8106 57.6090 42.6335 176.4505 101 M 4.7407 9.2348 120.1511 52.3466 33.0262 173.2832 102 P 4.6708 0.0000 0.0000 62.3773 33.0329 176.1072 103 K 4.5278 8.4928 123.5314 55.5076 35.0203 174.6514 104 Q 5.2736 8.5990 125.1256 54.5579 31.9913 173.9752 105 K 4.7188 8.9953 119.3821 55.6214 37.1118 174.6877 106 V 4.6264 8.3856 119.8130 61.1911 33.3938 174.9897 107 A 4.5472 9.2470 132.1683 50.6713 20.7285 178.4440 108 G 3.9338 9.2758 116.0562 46.9571 0.0000 172.6869 109 S 4.8526 9.1341 114.7231 57.9023 65.2789 174.1524 110 L 5.1195 8.0020 119.7987 53.9503 44.8747 175.0141 111 C 4.9957 9.3595 124.6846 58.1216 33.4448 172.1073 112 I 5.0023 8.4829 126.9974 59.5147 39.7100 174.8327 113 K 5.4212 9.3353 125.9541 55.0452 36.2784 175.1834 114 M 5.2809 8.7734 119.6070 54.0435 35.2739 173.2745 115 D 4.8160 8.9642 122.2452 54.2864 41.9695 176.8682 116 Q 4.2997 9.5459 125.4679 57.2336 29.0559 176.7614 117 A 4.2854 8.0595 119.7892 52.9752 19.1878 177.2902 118 I 4.2084 7.2026 116.8133 60.4776 37.8547 175.4028 119 M 4.9110 8.0705 121.5296 55.0062 33.9723 174.1954 120 D 4.8062 8.3833 118.9994 55.2085 39.1828 173.8089 121 K 4.7012 8.6980 118.3917 55.0739 35.1355 175.5053 122 T 4.9181 8.2665 118.8976 62.9964 70.2867 173.9374 123 I 4.9047 9.0038 126.4243 59.4857 41.4481 174.0850 124 I 4.9203 8.9968 126.5189 59.2117 40.9800 173.9513 125 L 5.0892 8.8043 128.9234 53.6136 43.4787 175.7692 126 K 4.9909 9.4024 122.3633 54.6666 36.2121 175.0774 127 A 5.3081 8.9996 123.3139 50.4723 23.3293 174.6437 128 N 5.3323 9.2403 118.2326 51.4696 41.4938 173.9458 129 F 5.4813 8.3227 118.0332 56.0779 42.1471 173.3085 130 S 5.2643 9.5746 114.9537 57.3008 65.6011 173.4670 131 V 5.0741 8.0022 119.9000 60.0128 34.9984 174.5725 132 I 4.7741 8.1569 115.2883 60.3592 41.5121 174.4944 133 F 3.8264 8.8393 124.3701 58.8445 36.6633 175.3815 134 D 5.4871 9.4109 125.6931 53.7997 39.9525 175.0413 135 R 4.8999 8.2169 114.2150 54.9625 32.6801 173.7087 136 L 4.3779 8.0618 120.9551 55.6876 42.1752 175.3718 137 E 4.5719 9.0012 126.2049 57.6647 31.6652 176.2088 138 T 4.6733 7.7340 115.1427 61.6689 72.4656 172.9647 139 L 4.6109 9.1027 129.1745 55.2759 42.5305 176.2646 140 I 4.2989 8.7966 127.0988 63.0874 38.4849 176.1878 141 L 4.4149 7.3397 119.2024 54.1432 45.3099 172.7354 142 L 5.3375 8.5375 127.5502 53.4135 45.3394 175.2309 143 R 4.7996 9.1374 123.6643 54.2845 34.6711 173.8637 144 A 4.8356 8.5142 125.4633 50.9786 20.5201 176.2065 145 F 5.3331 9.5972 121.7995 55.6563 42.7583 175.4149 146 T 4.6477 8.7975 113.1050 61.0410 69.9406 175.5951 147 E 3.9538 8.4270 122.3188 59.4157 29.4980 178.5322 148 E 4.0756 8.0901 114.3647 57.1825 30.0427 177.4664 149 G 3.9706 8.4343 108.6382 45.1198 0.0000 173.6291 150 A 4.2214 7.9885 123.4128 51.6455 19.0995 177.0727 151 I 3.8722 8.0661 122.7860 60.9273 37.8681 176.2114 152 V 4.5165 8.1771 116.9798 60.6289 34.0158 175.2684 153 G 4.3354 6.8580 106.1600 45.3106 0.0000 172.2100 154 E 5.0346 9.2175 123.2615 54.4182 33.9950 173.8795 155 I 5.1434 8.9038 127.3918 59.6521 40.1388 174.6135 156 S 5.2575 9.0463 122.3660 55.5466 66.3006 171.6530 157 P 4.9084 0.0000 0.0000 62.6822 32.2031 175.5444 158 L 4.4202 8.7312 123.6066 53.2530 42.8857 175.1172 159 P 4.3513 0.0000 0.0000 62.8282 30.9309 175.8100 160 S 4.7643 8.1333 116.7152 56.0986 66.3015 174.2534 161 L 4.1367 8.6966 121.5757 57.5192 41.6649 177.2213 162 P 4.1952 0.0000 0.0000 65.4448 31.2709 177.5284 163 G 3.8466 7.6433 107.1408 44.0724 0.0000 171.4936 164 H 5.1136 8.2470 112.8423 53.4726 31.7035 172.6625 165 T 4.7170 8.3356 110.3626 59.5119 72.3484 175.5469 166 G 3.5913 8.4286 107.0464 47.7662 0.0000 175.1929 167 E 3.9144 8.1707 121.2427 59.3288 29.6869 178.3696 168 D 4.3503 7.9978 118.6792 57.5392 40.8955 179.2198 169 V 3.5234 7.7575 118.5205 65.7737 31.6034 177.9155 170 K 3.8783 8.2744 119.7748 59.5137 32.0234 178.4517 171 N 4.2752 8.4082 116.6066 56.2343 38.4751 176.9001 172 A 3.9924 7.9732 122.0652 55.4652 18.4214 179.6691 173 I 3.7156 7.7755 118.0772 64.6237 37.1363 178.9410 174 G 3.6786 7.9232 105.9551 47.8467 0.0000 175.9049 175 V 3.6105 7.9675 120.5143 65.4642 31.4840 178.0090 176 L 3.9893 8.0626 120.3378 57.9432 42.0291 178.6891 177 I 3.7617 8.4020 120.2672 64.4260 36.9626 178.1597 178 G 3.9714 8.3576 106.7215 48.2333 0.0000 175.7593 179 G 3.7146 8.0069 107.3561 47.3363 0.0000 175.4435 180 L 4.2303 8.0554 121.3195 57.4036 41.6398 179.2124 181 E 4.3458 8.3479 118.3626 58.2445 29.2108 178.5390 182 W 4.0802 7.7644 128.5061 60.3198 30.8004 176.2353 183 N 4.8436 8.0877 113.6799 53.7356 38.4136 174.8229 184 D 4.4695 7.9605 115.1952 55.5181 39.0451 173.1247 185 N 5.0076 8.0992 114.5595 52.5208 40.6255 175.3102 186 T 4.4323 8.4881 119.8178 62.4159 70.1037 173.8630 187 V 5.0131 8.4380 126.6825 61.0879 34.1278 174.4425 188 R 4.8493 8.9649 122.8730 54.7830 33.4885 173.8318 189 V 4.9138 8.1439 110.9586 59.3617 35.3297 176.0616 190 T 4.1107 8.2462 113.2614 61.3776 69.8112 175.0512 191 E 3.9385 8.9353 122.0424 59.6281 29.3608 178.5863 192 T 4.1421 8.0987 115.3587 67.0974 68.5964 176.2490 193 I 3.8416 7.5736 119.7771 64.5186 36.9648 178.1141 194 Q 3.9597 7.9559 119.1154 59.3952 28.8623 178.2386 195 R 3.9730 8.1498 118.4024 57.6475 30.5346 176.6905 196 F 4.9633 7.6549 114.7523 56.8352 40.3668 175.1600 197 A 4.1217 8.2257 129.6076 52.7569 19.2186 176.3791 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 5 T 8.03 4.35 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 1.21 0.00 0.00 6 V 7.81 3.53 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 0.74 0.00 0.00 0.95 0.00 0.00 7 S 8.81 4.70 0.00 4.07 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 8 S 8.02 4.23 0.00 4.09 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 9 F 8.32 4.29 0.00 3.10 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 10 Q 8.30 4.09 0.00 2.29 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.59 0.00 0.00 0.00 0.00 0.00 2.46 2.80 0.00 11 V 7.77 3.65 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 1.09 0.00 0.00 1.03 0.00 0.00 12 D 7.96 4.36 0.00 2.69 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 C 7.73 3.70 0.00 2.99 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 14 F 7.93 4.21 0.00 3.09 3.30 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 15 L 7.89 4.02 0.00 1.83 1.71 0.98 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 16 W 8.39 4.12 0.00 3.35 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 17 H 7.94 4.24 0.00 3.35 3.48 0.00 5.80 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 V 6.99 3.75 1.92 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 0.37 0.00 0.00 0.73 0.00 0.00 19 R 7.88 3.93 0.00 1.87 1.56 0.00 2.65 0.00 0.00 3.01 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 20 K 7.50 3.35 0.00 0.92 1.48 0.00 1.80 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.26 7.81 21 R 7.90 3.84 0.00 1.85 1.98 0.00 3.35 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 22 F 8.02 4.39 0.00 3.14 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 23 A 7.92 3.81 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 D 7.88 4.40 0.00 2.85 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 25 Q 7.39 4.42 0.00 1.93 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.63 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 26 E 7.28 4.30 0.00 1.81 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 2.27 2.20 0.00 27 L 8.22 3.79 0.00 1.47 1.49 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 28 G 6.31 3.75 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 0.00 0.00 0.00 29 D 8.60 5.03 0.00 2.91 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 30 A 8.33 4.01 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 31 P 0.00 4.22 0.00 2.35 2.17 0.00 4.06 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 2.16 2.18 0.00 32 F 9.80 4.14 0.00 3.12 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 33 L 8.40 4.05 0.00 2.18 1.68 0.95 1.18 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 34 D 8.22 4.40 0.00 2.99 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 35 R 8.24 3.94 0.00 1.85 1.88 0.00 3.12 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.86 0.00 36 L 7.79 4.06 0.00 1.59 1.68 0.03 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.08 4.00 0.00 2.22 2.00 0.00 3.21 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.79 0.00 38 A 8.63 4.00 1.37 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 39 D 8.75 3.90 0.00 3.07 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 8.30 3.32 0.00 2.20 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 1.87 1.16 0.00 41 A 8.26 3.96 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 42 S 9.08 4.10 0.00 3.95 4.36 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 43 L 7.60 4.14 0.00 1.59 1.55 0.49 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 44 R 7.96 3.99 0.00 2.00 1.93 0.00 3.28 0.00 0.00 3.10 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.77 0.00 45 G 8.63 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 46 R 8.19 4.12 0.00 2.16 1.95 0.00 3.19 0.00 0.00 3.23 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.87 0.00 47 G 8.32 3.40 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 0.00 48 N 7.93 4.33 0.00 2.93 2.84 0.00 0.00 6.80 8.36 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 49 T 7.24 3.97 4.19 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 1.20 0.00 0.00 50 L 7.63 3.99 0.00 1.23 1.45 0.37 0.74 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 51 G 7.67 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 52 L 7.82 4.67 0.00 1.45 1.38 0.95 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 53 D 8.19 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4.43 0.00 2.09 1.92 0.00 2.79 0.00 0.00 3.06 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.49 0.00 84 Y 8.22 5.07 0.00 2.79 2.80 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 85 L 8.40 4.58 0.00 0.44 0.96 0.27 0.18 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 86 T 7.80 4.60 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 0.56 0.00 0.00 87 D 8.88 4.67 0.00 2.77 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 88 M 8.54 4.80 0.00 2.00 2.12 0.00 0.00 0.00 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.48 0.00 89 T 8.34 4.33 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 90 L 8.50 4.00 0.00 1.73 1.82 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 91 E 8.16 3.93 0.00 2.02 1.96 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.69 0.00 0.00 0.00 0.00 0.00 2.40 2.31 0.00 117 A 8.06 4.29 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 0.00 118 I 7.20 4.21 1.90 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 1.37 0.87 0.92 0.00 0.00 119 M 8.07 4.91 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.77 0.00 120 D 8.38 4.81 0.00 2.82 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 0.00 121 K 8.70 4.70 0.00 1.77 1.70 0.00 1.89 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.60 1.55 7.81 122 T 8.27 4.92 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 1.32 0.00 0.00 123 I 9.00 4.90 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.73 0.94 0.00 0.00 124 I 9.00 4.92 1.89 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 1.27 1.51 0.96 0.00 0.00 125 L 8.80 5.09 0.00 1.66 1.58 0.92 0.70 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 0.00 126 K 9.40 4.99 0.00 1.91 1.73 0.00 1.09 0.00 0.00 1.44 0.00 0.00 2.64 0.00 0.00 2.44 0.00 0.00 0.00 0.00 1.32 1.41 7.81 127 A 9.00 5.31 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 0.00 128 N 9.24 5.33 0.00 2.77 2.74 0.00 0.00 6.62 8.42 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 0.00 129 F 8.32 5.48 0.00 3.24 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 0.00 130 S 9.57 5.26 0.00 4.14 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 0.00 131 V 8.00 5.07 1.75 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 0.56 0.00 0.00 0.67 0.00 0.00 132 I 8.16 4.77 2.16 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 1.39 0.91 1.00 0.00 0.00 133 F 8.84 3.83 0.00 3.23 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 0.00 0.00 0.00 134 D 9.41 5.49 0.00 2.84 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 0.00 135 R 8.22 4.90 0.00 2.01 2.09 0.00 2.73 0.00 0.00 2.96 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.81 0.00 136 L 8.06 4.38 0.00 1.75 1.53 -0.15 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 137 E 9.00 4.57 0.00 2.06 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 2.25 2.32 0.00 138 T 7.73 4.67 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 1.26 0.00 0.00 139 L 9.10 4.61 0.00 1.65 1.55 0.95 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 140 I 8.80 4.30 2.15 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.29 1.00 0.00 0.00 141 L 7.34 4.41 0.00 1.77 1.50 0.96 0.49 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 0.00 142 L 8.54 5.34 0.00 1.75 1.43 0.91 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 143 R 9.14 4.80 0.00 1.54 0.73 0.00 3.06 0.00 0.00 2.73 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.34 0.00 144 A 8.51 4.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 F 9.60 5.33 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 0.00 146 T 8.80 4.65 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 147 E 8.43 3.95 0.00 1.97 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 2.53 2.41 0.00 148 E 8.09 4.08 0.00 2.10 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 2.27 0.00 149 G 8.43 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 0.00 150 A 7.99 4.22 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 0.00 151 I 8.07 3.87 1.35 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.36 -0.80 0.00 0.00 152 V 8.18 4.52 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 0.65 0.00 0.00 0.85 0.00 0.00 153 G 6.86 4.34 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 0.00 154 E 9.22 5.03 0.00 1.69 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 2.24 2.38 0.00 155 I 8.90 5.14 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.88 0.93 0.00 0.00 156 S 9.05 5.26 0.00 3.88 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 0.00 157 P 0.00 4.91 0.00 2.17 2.14 0.00 3.80 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.33 0.00 158 L 8.73 4.42 0.00 1.66 1.65 0.93 0.94 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 0.00 159 P 0.00 4.35 0.00 2.05 2.05 0.00 3.65 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 2.04 2.09 0.00 160 S 8.13 4.76 0.00 3.92 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 L 8.70 4.14 0.00 1.66 1.78 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 162 P 0.00 4.20 0.00 2.18 2.19 0.00 3.74 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 163 G 7.64 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 0.00 164 H 8.25 5.11 0.00 3.21 3.27 0.00 5.49 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 0.00 165 T 8.34 4.72 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 166 G 8.43 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 0.00 0.00 0.00 0.00 167 E 8.17 3.91 0.00 2.08 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 168 D 8.00 4.35 0.00 2.94 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 0.00 169 V 7.76 3.52 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 0.86 0.00 0.00 0.86 0.00 0.00 170 K 8.27 3.88 0.00 1.89 1.92 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.46 7.81 171 N 8.41 4.28 0.00 3.02 2.84 0.00 0.00 6.90 7.57 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 0.00 172 A 7.97 3.99 1.37 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 0.00 173 I 7.78 3.72 1.98 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 1.42 0.74 0.90 0.00 0.00 174 G 7.92 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 0.00 175 V 7.97 3.61 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 0.99 0.00 0.00 1.00 0.00 0.00 176 L 8.06 3.99 0.00 1.80 1.76 0.92 0.86 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 0.00 177 I 8.40 3.76 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.79 0.92 0.00 0.00 178 G 8.36 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 0.00 179 G 8.01 3.71 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 0.00 0.00 0.00 180 L 8.06 4.23 0.00 1.91 1.76 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 181 E 8.35 4.35 0.00 2.30 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 2.52 2.42 0.00 182 W 7.76 4.08 0.00 3.48 3.22 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 0.00 183 N 8.09 4.84 0.00 2.98 2.89 0.00 0.00 7.08 7.96 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 0.00 184 D 7.96 4.47 0.00 3.03 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 0.00 185 N 8.10 5.01 0.00 2.82 2.74 0.00 0.00 7.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 T 8.49 4.43 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 187 V 8.44 5.01 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 0.84 0.00 0.00 1.00 0.00 0.00 188 R 8.96 4.85 0.00 1.86 1.99 0.00 2.76 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 189 V 8.14 4.91 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 0.78 0.00 0.00 0.94 0.00 0.00 190 T 8.25 4.11 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 1.28 0.00 0.00 191 E 8.94 3.94 0.00 2.10 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 2.37 2.46 0.00 192 T 8.10 4.14 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 1.29 0.00 0.00 193 I 7.57 3.84 2.05 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.10 0.91 0.00 0.00 194 Q 7.96 3.96 0.00 2.17 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 7.00 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 195 R 8.15 3.97 0.00 1.70 1.50 0.00 3.04 0.00 0.00 2.70 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 1.27 0.00 196 F 7.65 4.96 0.00 3.40 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 0.00 197 A 8.23 4.12 1.08 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 * Residues marked with a * may have inaccurate shift predictions.