NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 S 4.4470 8.1927 116.7926 58.0545 64.4631 174.3615 6 K 3.7958 8.5489 124.6509 59.4192 32.2155 177.7725 7 N 4.4068 8.9013 117.6001 56.2022 38.9536 176.7445 8 E 4.0392 8.1179 119.7512 59.2998 29.5301 179.0439 9 E 4.1272 8.0433 118.9981 59.3209 29.7073 179.7021 10 V 3.6610 7.6469 119.2275 64.4063 31.4279 178.4028 11 L 4.0110 7.9453 120.9186 58.0217 41.9665 178.5607 12 F 4.2946 8.3829 120.6145 61.5840 39.4540 177.2611 13 S 3.8937 8.4465 114.6579 61.3761 62.4704 176.5550 14 A 3.9495 7.9009 123.2086 55.0684 18.1712 179.8786 15 V 3.5057 7.7881 116.6580 66.2546 31.5694 177.7517 16 N 4.1361 8.0279 116.4285 56.3900 38.2965 177.0630 17 E 3.8803 7.8789 119.1375 59.5514 28.7054 179.5486 18 I 3.5306 7.3970 119.5933 64.3571 36.9258 178.4794 19 F 4.2211 8.0788 116.9644 59.8456 39.0874 177.0428 20 E 4.3654 8.3346 117.1536 58.5187 29.9631 177.3076 21 E 4.3736 8.0092 115.7798 58.1269 30.6091 177.7401 22 K 4.0442 7.8788 116.2793 58.5046 32.0382 177.6915 23 I 3.7878 7.0996 118.6511 60.3416 37.2952 175.2514 24 P 4.2790 0.0000 0.0000 64.8647 31.7404 177.3275 25 F 4.6466 7.5431 117.0831 59.0649 39.0854 176.6376 26 N 4.6067 7.6117 117.0331 55.4757 38.3864 176.3309 27 K 4.2076 8.0752 115.4934 57.8900 32.6281 176.9593 28 I 4.3414 7.7786 117.7974 61.6325 39.8837 175.2737 29 I 4.6745 8.3350 123.6057 59.0900 40.3746 175.6272 30 G 3.7947 9.0294 115.5933 46.1751 0.0000 171.3100 31 L 5.0358 8.2612 123.4614 52.9870 45.1945 175.5382 32 K 4.5171 8.6080 124.8265 54.5121 36.3312 175.8155 33 V 4.0761 8.7138 124.9691 62.0190 30.8092 175.7805 34 R 4.2613 8.6900 128.7491 59.0673 30.7736 177.2526 35 F 4.9854 7.8444 118.4160 57.1361 42.7361 172.9985 36 I 4.8008 6.8958 117.2470 59.4705 39.8182 174.1099 37 S 4.3787 8.1091 116.3734 56.9651 65.7393 174.7053 38 P 4.3887 0.0000 0.0000 64.7049 31.3780 177.1869 39 E 4.5962 7.5716 114.5974 55.9748 30.8657 175.0048 40 Q 5.0561 7.7279 120.1695 55.4508 33.0562 173.2117 41 V 4.9555 8.7268 118.2259 59.6988 36.8322 174.6977 42 K 4.8493 9.0080 123.1755 55.4351 35.5558 174.6651 43 L 5.2027 9.1764 128.1903 52.7840 44.9407 175.5738 44 S 5.0844 8.4527 117.1604 56.5575 65.8237 173.0359 45 F 5.0448 9.1839 120.8336 55.8316 42.5701 173.7323 46 E 4.7969 8.3570 122.0549 54.5720 32.5112 176.3877 *48 R 4.1256 8.7958 113.5517 55.4367 32.1140 174.5915 49 D 4.8322 7.8184 116.8113 52.2188 41.7551 175.5044 50 E 4.2849 8.7042 126.1924 56.7842 29.9210 177.0130 51 L 3.7233 8.3052 118.4559 55.7270 39.3498 174.5446 52 I 3.7893 7.8531 118.8787 62.5417 37.6602 177.1227 53 G 3.9149 8.8974 112.6069 45.3907 0.0000 172.7927 54 N 4.4849 7.7976 119.5968 52.6412 39.5382 175.6959 55 A 4.0361 8.8126 128.7096 54.5353 18.8065 177.5045 56 I 4.5917 7.7186 108.7339 60.1594 38.1973 176.9699 57 R 4.0621 7.9670 123.3635 60.9414 29.9524 179.4879 58 R 3.6835 7.8730 113.4031 57.0408 30.1313 178.3883 *60 L 4.3413 8.0013 120.3929 55.1385 43.7462 178.9224 61 Y 4.0666 8.2616 116.1310 60.6056 37.5927 178.8200 62 G 3.8084 7.8950 106.1617 47.8302 0.0000 176.0191 63 G 3.6242 8.0011 108.1307 46.2668 0.0000 175.7707 64 V 3.4781 7.6097 120.3765 65.8370 31.5713 178.1684 65 I 3.4162 7.9633 120.1249 64.3043 36.3902 178.6100 66 S 4.1265 8.1776 115.1061 61.4782 62.5776 176.8151 67 S 4.0948 7.8915 117.6545 61.2232 62.6781 176.0390 68 A 3.7595 7.6508 122.1551 55.1364 18.1870 179.4469 69 I 3.9062 7.6915 118.1990 64.4312 37.1526 178.7135 70 D 4.7140 7.9325 115.1120 55.5503 40.7624 177.7565 *72 T 4.2617 7.8669 115.9137 63.1988 70.6301 176.1246 73 A 4.1756 8.5326 123.4097 55.1271 18.3182 179.8773 74 G 2.6939 8.2421 104.2194 47.5143 0.0000 175.7338 75 L 3.9403 7.7549 121.0759 57.7831 42.2413 178.3824 76 A 4.0797 7.8599 119.5182 54.8916 18.5818 179.1049 77 A 4.0257 8.2769 119.7356 55.2109 18.4088 180.2685 78 F 4.3297 8.0738 116.5319 59.2329 39.6676 177.0097 *80 G 3.6798 7.9981 106.6635 45.1515 0.0000 175.9027 81 F 4.3797 7.9444 119.9219 60.0205 39.0734 177.9363 82 Q 3.8861 7.8646 117.8674 58.7928 28.5868 177.2218 83 E 3.9474 7.5416 118.5006 59.0810 30.2329 178.1208 84 K 4.2522 7.3297 117.7771 56.2331 29.8980 176.6380 *86 S 4.4332 7.6025 116.1024 58.3864 65.2579 175.8960 87 G 3.8181 7.8479 108.6533 45.0802 0.0000 173.7411 88 K 4.4293 7.6405 119.3762 55.1946 34.1512 176.8411 89 P 4.8443 0.0000 0.0000 63.3159 30.4383 178.4206 *91 E 4.3479 9.1489 112.2404 55.8602 31.5367 178.0682 92 E 4.1343 8.1783 117.7600 58.8453 29.5352 179.2646 93 K 4.1757 7.6201 117.7544 59.5746 32.2727 179.0782 94 L 4.3325 8.0087 117.1487 57.4223 41.7399 180.2292 95 A 4.2022 8.1096 122.2068 51.8176 17.7061 179.1192 *97 I 4.2745 7.9391 123.5719 62.4182 39.8861 177.4202 98 G 3.7215 7.7151 106.6695 47.5800 0.0000 174.4467 99 R 4.2677 7.8530 117.7486 56.8273 30.8304 175.9216 100 L 4.7866 7.4650 118.6058 54.9081 42.0988 176.6723 101 S 4.8205 9.3349 118.1479 56.7084 66.1496 173.6583 102 T 3.6437 8.1955 122.7101 63.0338 69.7130 173.5005 *104 S 4.1894 8.3511 116.1495 58.2373 63.8953 171.9321 105 L 4.9207 8.6497 128.1093 53.7779 44.3612 174.9099 106 H 4.9506 9.3433 124.7818 53.9905 31.3639 173.5488 107 V 4.7185 8.4448 122.9012 61.0210 34.2251 174.1218 108 E 4.7666 9.0702 127.6866 54.8665 31.9276 174.3688 109 Y 4.8562 8.7966 122.3564 56.6378 38.9011 175.8221 110 L 4.4472 9.0124 125.6714 57.1776 42.5665 177.2034 111 R 4.5773 7.6355 112.2097 54.1680 31.9074 172.3329 112 P 4.4183 0.0000 0.0000 62.1730 32.4213 176.0820 113 G 3.8711 9.3510 114.8031 49.6040 0.0000 176.2037 114 L 3.2343 7.3175 117.8587 54.1155 38.3538 176.4388 115 G 4.4599 7.6679 106.0835 44.3405 0.0000 174.1612 116 R 4.1395 8.7780 120.2879 58.8195 30.2275 175.5621 117 E 5.0161 8.2170 117.5568 54.5328 31.7655 174.8386 118 F 5.2599 8.4690 118.7598 55.0419 41.5202 173.8337 119 V 5.0296 8.6721 119.5157 60.1895 34.5967 173.7278 120 C 5.3918 9.6419 123.3769 58.0903 34.9074 172.3824 121 T 4.8301 8.9473 123.0530 61.7111 70.7491 173.4071 122 G 4.3514 8.7988 114.1119 44.6026 0.0000 171.6246 123 Y 5.0839 9.2195 123.7178 56.1443 40.3564 174.7536 124 N 4.6647 8.7512 124.4199 53.2585 38.4678 175.1446 125 V 3.9467 8.5705 127.1599 65.2029 31.9212 176.2846 126 R 4.5870 7.7636 115.6364 54.7263 32.2559 173.9602 127 T 4.6490 8.3223 116.8695 61.7840 70.4256 174.0399 128 G 4.0240 8.5989 122.5759 45.2685 0.0000 172.0627 129 N 4.5117 9.0359 117.9229 56.4429 39.3801 177.1089 130 K 4.5675 8.1260 114.7143 55.8531 34.2021 175.5381 131 V 5.0856 7.8828 118.9592 60.8478 34.8370 173.7935 132 A 4.9286 9.3597 129.3568 50.2020 21.6479 174.9057 133 V 4.6030 8.5278 123.4087 61.8238 33.4254 174.7230 134 I 5.0579 9.2543 131.3764 60.1902 40.5390 175.2021 135 R 5.2551 9.0812 127.0540 55.3711 32.0742 173.4020 136 T 5.3199 9.3646 113.8764 59.0875 72.7432 172.7657 137 E 4.6227 9.0703 121.6807 54.7137 33.2615 174.7549 138 L 5.4378 9.2228 126.6761 52.5096 45.9398 175.3205 *140 N 4.9015 8.2280 118.8938 52.5603 38.5489 174.0852 141 D 4.4451 8.1762 116.4806 58.2809 40.7979 178.2379 142 Q 4.3225 8.2289 114.1419 55.3960 28.6243 174.9629 143 D 4.4353 7.7983 115.5822 55.3252 40.1079 172.9275 144 E 4.5169 8.1459 116.2936 53.7804 30.9681 175.8940 145 L 4.1183 8.5607 125.9704 55.2937 42.2174 175.8569 146 I 4.4274 8.4832 120.3067 61.9272 39.9010 175.3419 147 A 4.9643 7.5793 122.0592 50.7719 22.5237 175.5003 148 V 4.8557 8.7456 112.9372 59.5628 35.9206 175.2286 149 G 4.5249 8.9499 109.5244 43.5083 0.0000 171.4878 150 S 5.3016 9.2577 118.4216 56.4663 66.0636 173.3712 151 V 4.8878 9.1014 124.9672 61.1367 34.7859 174.1175 152 S 5.3483 9.0028 123.9330 57.1098 64.7510 173.1012 153 Y 4.9835 9.2295 122.9105 56.1647 40.8535 174.9054 154 I 5.5539 8.7401 115.3916 58.0185 41.7677 174.3681 155 L 4.7780 8.3684 123.7876 53.6871 42.1978 177.1903 156 V 3.9125 8.6044 124.0115 61.8444 31.2507 176.1985 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 S 8.19 4.45 0.00 3.97 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 K 8.55 3.80 0.00 2.00 1.81 0.00 1.83 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.50 1.16 7.81 7 N 8.90 4.41 0.00 2.81 2.86 0.00 0.00 7.13 7.66 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 8 E 8.12 4.04 0.00 1.99 1.95 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 2.37 2.38 0.00 9 E 8.04 4.13 0.00 2.00 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 2.50 2.48 0.00 10 V 7.65 3.66 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 0.82 0.00 0.00 0.96 0.00 0.00 11 L 7.95 4.01 0.00 2.05 2.00 1.15 0.75 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 12 F 8.38 4.29 0.00 3.14 3.23 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 13 S 8.45 3.89 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 14 A 7.90 3.95 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 15 V 7.79 3.51 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 0.89 0.00 0.00 0.97 0.00 0.00 16 N 8.03 4.14 0.00 2.63 2.61 0.00 0.00 7.09 8.50 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 17 E 7.88 3.88 0.00 2.10 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.45 0.00 18 I 7.40 3.53 1.85 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 1.37 0.87 0.39 0.00 0.00 19 F 8.08 4.22 0.00 2.91 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 20 E 8.33 4.37 0.00 1.99 1.95 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 2.42 2.33 0.00 21 E 8.01 4.37 0.00 2.43 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 0.00 2.24 1.88 0.00 22 K 7.88 4.04 0.00 1.82 1.76 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.55 1.46 7.81 23 I 7.10 3.79 2.03 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 1.23 1.09 1.01 0.00 0.00 24 P 0.00 4.28 0.00 1.90 1.98 0.00 3.26 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.64 0.00 25 F 7.54 4.65 0.00 3.17 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 N 7.61 4.61 0.00 2.74 2.91 0.00 0.00 7.00 7.49 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 27 K 8.08 4.21 0.00 1.77 1.88 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.43 7.81 28 I 7.78 4.34 1.94 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 1.37 0.76 1.06 0.00 0.00 29 I 8.33 4.67 1.96 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 1.17 1.01 1.09 0.00 0.00 30 G 9.03 3.79 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 0.00 0.00 0.00 31 L 8.26 5.04 0.00 1.65 1.49 1.21 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.61 4.52 0.00 1.66 1.55 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.73 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.34 1.22 7.81 33 V 8.71 4.08 2.20 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 0.71 0.00 0.00 0.74 0.00 0.00 34 R 8.69 4.26 0.00 1.91 2.01 0.00 3.39 0.00 0.00 3.15 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 35 F 7.84 4.99 0.00 3.06 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 36 I 6.90 4.80 1.78 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.63 0.87 0.00 0.00 37 S 8.11 4.38 0.00 3.87 3.63 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 38 P 0.00 4.39 0.00 2.03 2.11 0.00 3.60 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.02 0.00 39 E 7.57 4.60 0.00 2.33 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 0.00 2.27 2.40 0.00 40 Q 7.73 5.06 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.69 0.00 0.00 0.00 0.00 0.00 2.33 2.04 0.00 41 V 8.73 4.96 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 0.60 0.00 0.00 0.90 0.00 0.00 42 K 9.01 4.85 0.00 1.83 1.71 0.00 1.52 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.41 7.81 43 L 9.18 5.20 0.00 1.52 0.88 0.93 0.27 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 44 S 8.45 5.08 0.00 3.76 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 45 F 9.18 5.04 0.00 1.51 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 0.00 0.00 0.00 0.00 46 E 8.36 4.80 0.00 1.93 1.64 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 2.19 2.10 0.00 *48 R 8.80 4.13 0.00 1.98 2.04 0.00 3.43 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 49 D 7.82 4.83 0.00 2.63 2.59 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 50 E 8.70 4.28 0.00 2.09 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 0.00 2.49 2.39 0.00 51 L 8.31 3.72 0.00 2.12 1.88 1.01 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 52 I 7.85 3.79 1.90 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 1.37 0.37 0.92 0.00 0.00 53 G 8.90 3.91 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 0.00 0.00 0.00 54 N 7.80 4.48 0.00 2.73 2.80 0.00 0.00 7.03 8.04 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 55 A 8.81 4.04 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 56 I 7.72 4.59 1.86 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 1.24 0.85 0.90 0.00 0.00 57 R 7.97 4.06 0.00 1.99 1.90 0.00 3.17 0.00 0.00 3.03 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.75 0.00 58 R 7.87 3.68 0.00 1.84 1.85 0.00 3.14 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 *60 L 8.00 4.34 0.00 2.02 1.79 0.96 0.88 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 61 Y 8.26 4.07 0.00 3.13 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 G 7.90 3.81 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 0.00 0.00 0.00 63 G 8.00 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 64 V 7.61 3.48 1.95 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 0.95 0.00 0.00 0.81 0.00 0.00 65 I 7.96 3.42 2.20 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 1.17 0.39 0.65 0.00 0.00 66 S 8.18 4.13 0.00 4.09 4.23 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 67 S 7.89 4.09 0.00 3.93 3.91 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 68 A 7.65 3.76 0.47 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 69 I 7.69 3.91 1.84 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 1.39 0.73 0.93 0.00 0.00 70 D 7.93 4.71 0.00 2.99 2.88 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 *72 T 7.87 4.26 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 73 A 8.53 4.18 1.62 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 74 G 8.24 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 0.00 0.00 0.00 75 L 7.75 3.94 0.00 1.05 1.65 0.52 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.86 4.08 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 77 A 8.28 4.03 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 78 F 8.07 4.33 0.00 3.23 3.28 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 *80 G 8.00 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 81 F 7.94 4.38 0.00 3.07 2.94 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 82 Q 7.86 3.89 0.00 1.86 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.95 0.00 0.00 0.00 0.00 0.00 1.56 2.02 0.00 83 E 7.54 3.95 0.00 1.99 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 2.28 2.30 0.00 84 K 7.33 4.25 0.00 2.03 1.82 0.00 1.89 0.00 0.00 1.81 0.00 0.00 3.00 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.48 1.38 7.81 *86 S 7.60 4.43 0.00 3.99 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 87 G 7.85 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 88 K 7.64 4.43 0.00 1.76 1.75 0.00 1.93 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.37 7.81 89 P 0.00 4.84 0.00 2.30 1.27 0.00 3.47 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 2.07 2.08 0.00 *91 E 9.15 4.35 0.00 1.94 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 2.21 1.91 0.00 92 E 8.18 4.13 0.00 1.94 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 0.00 2.32 2.41 0.00 93 K 7.62 4.18 0.00 1.80 1.92 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.45 1.64 7.81 94 L 8.01 4.33 0.00 1.65 1.76 1.07 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 95 A 8.11 4.20 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 *97 I 7.94 4.27 1.82 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 1.28 1.37 0.92 0.00 0.00 98 G 7.72 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 99 R 7.85 4.27 0.00 1.86 2.09 0.00 3.30 0.00 0.00 3.32 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 100 L 7.47 4.79 0.00 1.83 1.87 1.16 0.98 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 0.00 101 S 9.33 4.82 0.00 3.90 3.66 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 0.00 102 T 8.20 3.64 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 1.06 0.00 0.00 *104 S 8.35 4.19 0.00 3.93 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 0.00 105 L 8.65 4.92 0.00 1.61 1.53 0.95 1.01 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 0.00 106 H 9.34 4.95 0.00 3.21 3.18 0.00 5.63 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 0.00 107 V 8.44 4.72 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 0.04 0.00 0.00 0.87 0.00 0.00 108 E 9.07 4.77 0.00 1.88 1.85 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 2.23 2.41 0.00 109 Y 8.80 4.86 0.00 2.74 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 0.00 110 L 9.01 4.45 0.00 1.65 1.74 1.01 1.14 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 0.00 111 R 7.64 4.58 0.00 1.88 1.88 0.00 3.04 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 112 P 0.00 4.42 0.00 2.09 2.02 0.00 3.78 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.90 0.00 113 G 9.35 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 0.00 114 L 7.32 3.23 0.00 1.75 1.60 0.92 0.66 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 0.00 115 G 7.67 4.46 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 0.00 116 R 8.78 4.14 0.00 2.12 2.00 0.00 3.20 0.00 0.00 3.38 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.72 0.00 117 E 8.22 5.02 0.00 2.17 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 0.00 2.22 2.25 0.00 118 F 8.47 5.26 0.00 3.20 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 0.00 119 V 8.67 5.03 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 1.03 0.00 0.00 120 C 9.64 5.39 0.00 3.21 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 T 8.95 4.83 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 122 G 8.80 4.35 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 0.00 123 Y 9.22 5.08 0.00 2.88 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 0.00 124 N 8.75 4.66 0.00 2.76 2.76 0.00 0.00 7.22 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 V 8.57 3.95 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 0.81 0.00 0.00 0.97 0.00 0.00 126 R 7.76 4.59 0.00 1.95 1.94 0.00 2.96 0.00 0.00 3.34 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 127 T 8.32 4.65 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 0.64 0.00 0.00 128 G 8.60 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 0.00 129 N 9.04 4.51 0.00 2.72 2.90 0.00 0.00 6.66 6.68 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 0.00 130 K 8.13 4.57 0.00 1.85 1.83 0.00 1.65 0.00 0.00 1.72 0.00 0.00 2.83 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.35 7.81 131 V 7.88 5.09 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 1.15 0.00 0.00 1.00 0.00 0.00 132 A 9.36 4.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 V 8.53 4.60 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 0.97 0.00 0.00 0.95 0.00 0.00 134 I 9.25 5.06 1.98 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 1.23 0.56 1.01 0.00 0.00 135 R 9.08 5.26 0.00 1.47 1.78 0.00 3.20 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.42 0.00 136 T 9.36 5.32 4.29 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 1.27 0.00 0.00 137 E 9.07 4.62 0.00 2.04 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.47 0.00 138 L 9.22 5.44 0.00 1.67 1.54 0.83 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 *140 N 8.23 4.90 0.00 3.13 3.12 0.00 0.00 5.93 8.07 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 0.00 141 D 8.18 4.45 0.00 2.77 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 0.00 142 Q 8.23 4.32 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.90 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 143 D 7.80 4.44 0.00 2.84 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 0.00 144 E 8.15 4.52 0.00 2.18 1.88 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 2.28 2.40 0.00 145 L 8.56 4.12 0.00 1.61 1.62 1.05 1.05 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 0.00 146 I 8.48 4.43 1.89 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 1.33 0.78 0.96 0.00 0.00 147 A 7.58 4.96 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 V 8.75 4.86 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 0.74 0.00 0.00 0.92 0.00 0.00 149 G 8.95 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.26 5.30 0.00 3.71 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 0.00 151 V 9.10 4.89 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.01 0.00 0.00 152 S 9.00 5.35 0.00 3.74 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 0.00 153 Y 9.23 4.98 0.00 3.11 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 0.00 154 I 8.74 5.55 1.93 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 1.40 2.01 0.99 0.00 0.00 155 L 8.37 4.78 0.00 1.36 1.49 0.35 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 156 V 8.60 3.91 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 0.69 0.00 0.00 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.