NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2660 8.2601 123.5898 52.0261 19.9440 176.1373 3 A 4.2530 8.1861 122.6730 49.9774 20.1602 172.1546 4 V 4.0202 8.8862 121.4902 62.4398 32.6630 174.5435 5 I 4.0069 8.7841 129.9327 63.9508 37.6833 176.6742 6 L 4.7030 7.4703 119.3451 53.1988 46.3372 175.1983 7 E 5.4098 8.7492 121.9545 55.4028 32.4793 174.2702 8 S 4.6443 9.4404 121.6090 57.4575 68.2655 172.9256 9 I 4.7181 7.9682 122.3443 60.0189 38.3977 175.1898 10 F 5.4454 9.1398 124.8672 55.5955 43.9111 173.4353 11 L 4.6091 8.4142 122.3135 53.7092 43.5866 174.8725 12 K 5.0466 9.1714 128.1680 54.6613 34.4173 175.0045 13 R 4.4241 8.6102 128.6024 55.6320 30.7938 176.2666 14 S 4.3348 8.5312 121.1482 58.7868 63.6243 173.8385 15 Q 4.1652 8.8431 120.9932 56.8967 29.3616 177.1469 16 Q 3.2807 8.8228 115.1346 52.3400 27.7949 175.8615 17 K 4.2206 8.5640 120.8753 56.0958 28.9112 179.6513 18 K 4.6288 7.7489 123.0185 53.5721 35.1061 179.1744 19 K 4.3936 8.5753 127.4277 54.2527 33.6005 174.3818 20 T 3.3634 8.4688 107.4316 65.5932 65.5047 168.6774 21 S 3.7462 8.3638 116.9524 59.9899 60.0476 175.2001 22 P 4.7036 0.0000 0.0000 62.0612 28.6265 177.3447 23 L 4.4535 7.5236 121.1876 53.4996 43.4442 176.3024 24 N 5.1382 8.5158 120.7279 51.4332 41.8910 173.8056 25 F 5.0687 8.7126 119.5767 55.7598 42.2749 174.4882 26 K 4.7193 8.9061 122.7398 54.1898 36.1941 176.0464 27 K 4.5483 8.6801 123.6511 56.8031 32.8294 176.1546 28 C 5.0695 9.4382 121.3380 58.0234 33.4203 172.7007 29 L 4.9124 9.1248 124.0064 54.3237 43.1586 175.2110 30 F 5.4167 9.8042 126.1696 56.0494 41.4340 174.9527 31 L 5.6891 9.5956 122.6643 53.0017 45.6454 175.2297 32 L 5.4289 8.9562 124.4810 53.6314 45.2111 175.3113 33 T 5.1288 8.7010 114.9866 59.7457 72.4826 175.0408 34 V 3.5619 8.5579 113.5670 63.6132 31.8894 176.8377 35 H 4.8862 7.8064 116.5274 56.8087 30.9937 175.0661 36 K 5.0970 8.4456 115.6905 54.8206 37.2513 175.3250 37 L 5.3315 9.0606 125.9344 53.7032 43.8569 175.3393 38 S 5.3006 9.3539 121.0717 56.6466 66.8814 172.4594 39 Y 5.1347 7.6503 117.4018 55.6954 41.4172 173.5809 40 Y 5.2131 9.1068 118.0512 56.2040 43.2343 174.5014 41 E 4.5778 9.3265 120.4086 56.7043 31.1382 175.4397 42 Y 4.8155 8.5256 123.1233 56.2006 40.8291 175.2915 43 D 4.4501 8.5351 128.0707 52.9615 40.6787 176.4823 44 F 4.0148 8.7633 126.9392 61.0227 39.9575 177.0485 45 E 3.8807 8.5091 118.0290 59.6218 29.1906 178.4521 46 R 4.0620 8.1321 114.1664 55.7040 30.5167 176.4286 47 G 3.8207 7.5253 106.4271 45.6220 0.0000 172.8629 48 R 4.7287 7.1509 113.6959 54.4134 33.7080 174.4577 49 R 4.3161 8.4875 116.1687 55.9150 30.0264 177.3569 50 G 4.2941 9.0163 112.8258 46.0092 0.0000 173.7749 51 S 4.5226 8.7034 118.3667 57.9808 64.4997 174.1884 52 K 4.1162 8.7403 124.2759 56.8018 31.9448 176.3797 53 K 4.3003 8.2131 126.3459 57.1403 34.1869 176.1745 54 G 3.1708 6.5194 104.6288 45.6418 0.0000 172.2752 55 S 4.9701 7.9639 113.1309 57.0095 65.5787 173.5522 56 I 4.4501 8.7043 127.1905 59.2731 40.5676 174.7704 57 D 4.7586 8.6680 127.7013 53.9170 41.6203 177.3564 58 V 3.6288 8.8105 125.1094 66.0443 31.5912 177.8983 59 E 4.8946 8.0592 115.2453 58.1032 29.4968 177.5203 60 K 4.3215 7.9666 117.6017 56.9372 32.6750 176.9769 61 I 4.2677 7.5457 121.5338 61.4216 37.7564 175.7084 62 T 4.5669 9.0117 114.4958 62.3374 71.1593 173.5665 63 C 4.9047 7.7542 120.0473 58.5696 35.0996 172.8338 64 V 5.1674 8.1322 124.0415 61.3270 34.1078 173.4998 65 E 4.8036 8.6570 126.0001 55.2982 34.5545 174.2521 66 T 4.6056 8.4096 111.6960 61.7822 70.1550 173.7844 67 V 4.5410 7.8074 121.0607 60.5424 34.3751 175.3270 68 V 3.7350 8.4497 127.8883 62.3676 31.7698 174.3095 69 P 4.6898 0.0000 0.0000 62.1504 32.0197 175.9105 70 E 4.3220 8.6768 119.1786 56.4134 30.1040 177.9060 71 K 4.1747 8.7804 121.8427 59.4182 32.5813 177.8329 72 N 4.9688 7.5819 113.8202 50.6242 38.8640 172.1775 73 P 4.3685 0.0000 0.0000 61.1847 32.8787 175.4321 74 P 4.3971 0.0000 0.0000 61.7962 32.1414 175.3581 75 P 4.4225 0.0000 0.0000 64.9533 31.3911 178.4431 76 E 4.1434 8.1191 114.6751 58.1041 29.4329 177.9273 77 R 4.7268 8.1422 118.5227 55.8789 30.8604 174.6964 78 Q 4.3412 7.7348 118.4268 54.8077 29.5640 175.5426 79 I 3.8106 8.1209 123.9422 60.2500 37.3899 174.3630 80 P 4.4498 0.0000 0.0000 62.5382 31.7061 176.4267 81 R 4.0290 8.6277 118.4619 57.1460 29.5036 176.1730 82 R 3.7503 8.6639 117.3283 58.4380 29.6089 177.7566 83 G 4.0332 7.0986 106.9232 45.3416 0.0000 172.0858 84 E 4.5241 8.2446 124.8914 53.0329 34.2856 174.2634 85 E 3.8241 8.6033 115.0825 57.2410 28.1141 177.8830 86 S 4.4682 7.6842 118.0695 59.1773 61.3975 178.7439 87 S 4.5527 8.6185 125.8121 57.6263 61.9905 171.7917 88 E 4.7417 7.9119 116.5764 55.4415 33.5815 177.5798 89 M 4.1567 8.5557 124.0248 54.1283 33.0309 175.2280 90 E 4.1288 8.7167 127.4926 55.5597 29.8340 176.3534 91 Q 4.0128 8.9788 128.3640 59.6688 29.5309 178.6713 92 I 3.9137 8.1686 118.1453 64.5280 37.1964 178.5526 93 S 4.1210 8.3964 114.9747 61.2146 62.5649 175.8839 94 I 3.7383 7.7491 121.0397 62.3384 37.7968 175.9122 95 I 4.6250 7.4524 110.2614 60.7329 38.3850 175.5558 96 E 4.7007 7.8740 119.0304 56.1562 32.1426 175.9910 97 R 4.7783 7.8242 118.5628 54.3845 32.3194 175.3182 98 F 4.8879 8.8839 121.5986 55.4403 39.2667 172.9109 99 P 4.5623 0.0000 0.0000 62.7063 32.2602 175.9018 100 Y 4.7223 8.1673 117.4078 55.6798 38.9627 173.2480 101 P 4.8076 0.0000 0.0000 61.8113 33.6765 174.8600 102 F 5.2242 8.6845 116.0127 55.4106 42.2912 172.9943 103 Q 4.9047 9.5045 117.2553 54.3059 31.9722 174.5109 104 V 4.6587 8.5590 121.6754 61.4055 34.1330 174.1166 105 V 4.6917 8.9150 129.5680 61.7867 33.2580 174.7005 106 Y 4.8448 8.0033 125.4260 56.0956 40.5721 173.4873 107 D 4.4365 9.2738 118.2934 57.2417 39.6599 177.5667 108 E 3.9359 7.3884 119.4427 54.7507 28.7387 176.8482 109 G 3.6409 7.1072 109.9390 44.0460 0.0000 169.4630 110 P 4.7336 0.0000 0.0000 61.5891 33.0459 174.9380 111 L 4.5400 8.6575 124.7549 53.6987 44.3033 174.3393 112 Y 5.0114 8.4219 123.5830 56.3264 40.5094 174.6616 113 V 4.5347 8.0399 123.6035 60.8213 34.9821 173.9132 114 F 5.1001 9.3398 126.5650 55.8663 41.3339 174.6407 115 S 5.4544 9.1949 119.6098 56.3208 63.7985 173.3779 116 P 4.8647 0.0000 0.0000 64.4781 31.9521 176.7173 117 T 4.6737 7.9186 108.6330 58.8181 73.1525 174.4015 118 E 3.1825 7.6231 122.1274 59.1322 29.6269 178.6605 119 E 3.8595 7.9569 118.1484 59.6188 29.5948 179.1513 120 L 4.0880 7.9564 120.0492 57.9926 42.0412 178.9659 121 R 3.6532 7.8721 118.3826 59.1008 29.9630 178.2748 122 K 3.6411 8.0118 119.5001 59.4424 32.1489 178.3934 123 R 3.7944 8.1197 119.0576 59.4870 29.8674 178.5370 124 W 3.9001 8.2698 118.4693 59.6413 28.9206 178.7266 125 I 3.5744 7.7506 120.0433 64.5018 36.5154 178.1543 126 H 4.1481 8.3252 117.3432 59.0902 28.6185 177.7247 127 Q 3.9137 8.0155 121.2137 59.0780 28.9220 178.2023 128 L 4.0380 8.2351 120.4437 57.6988 41.4348 179.5768 129 K 3.9628 8.0921 117.8637 59.2194 32.0758 178.7119 130 N 4.3395 8.0256 117.3716 56.8395 38.8003 177.4137 131 V 3.7364 7.7510 111.8366 63.0245 31.8646 177.3968 132 I 4.2412 7.4270 111.3137 60.4682 37.9052 177.3021 133 R 3.5181 6.9874 121.6891 59.5307 29.7924 176.5089 134 Y 4.8840 7.2445 112.3278 57.7587 38.5877 175.3720 135 N 4.6447 8.3077 118.4502 53.0757 39.3411 176.7647 136 S 4.1731 8.8680 118.5042 61.2704 63.3571 175.3220 137 D 5.0345 7.6525 118.6497 53.4496 41.0900 176.7061 138 L 4.2979 7.8710 118.6871 54.8938 42.6074 177.6814 139 V 4.3184 8.0179 116.6985 60.2285 33.3354 175.8812 140 Q 4.5601 8.4513 119.1774 55.7985 28.8762 174.7646 141 K 5.3243 7.5711 116.1914 55.9616 36.6777 174.4226 142 Y 4.6937 9.2301 119.7223 56.8122 40.8234 172.8934 143 H 4.3560 8.2893 116.3847 53.4930 29.6114 174.9005 144 P 3.8522 0.0000 0.0000 64.4420 31.4878 175.9888 145 C 5.0170 6.8382 112.6943 57.2662 31.1410 174.0825 146 F 4.3271 8.5143 118.4957 57.6230 40.0299 174.2802 147 W 4.9188 8.6680 132.0534 56.0545 30.8210 175.7784 148 I 4.3088 7.9063 120.2838 60.3534 40.6173 174.4861 149 D 4.0018 9.1349 121.2508 55.5643 37.7905 174.5290 150 G 3.6412 7.2487 104.4187 45.3577 0.0000 172.0651 151 Q 4.3576 5.7400 114.4101 54.9089 31.6821 173.1851 152 Y 4.6019 8.3100 117.7999 57.9293 38.4305 177.4817 153 L 4.1542 8.7057 124.5285 57.2792 42.1618 178.4934 154 C 4.3271 8.2738 113.3586 60.2801 30.1253 173.9692 155 C 4.6810 7.6984 111.3576 56.5815 30.3224 174.6674 156 S 4.0199 8.4307 114.8129 59.4781 60.9497 171.7388 157 Q 4.2779 7.6447 120.0948 56.2585 28.9074 176.8554 158 T 4.7156 8.8066 109.5060 60.9211 69.8798 174.0641 159 A 4.8177 7.7888 126.4982 50.3749 20.7073 178.1292 160 K 3.9345 8.7130 123.2142 59.0389 32.2832 177.5752 161 N 4.7279 8.0574 113.8042 52.3569 37.5396 174.9095 162 A 4.1422 7.7185 122.2200 52.3944 18.9818 177.9028 163 M 4.0883 8.6199 121.5837 55.2649 32.8927 176.4905 164 G 3.3732 8.4436 113.9631 46.2649 0.0000 172.8489 165 C 4.4872 7.9701 115.0155 58.0747 30.7866 173.0589 166 Q 4.5665 7.9883 121.6006 54.5450 32.1529 173.9545 167 I 4.5597 8.4599 126.9841 60.8129 38.1557 175.8061 168 L 4.0384 8.5460 127.4361 54.5740 42.3350 177.1975 *179 E 4.0598 8.6262 119.6250 56.6630 29.8561 175.5558 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 2 A 8.26 4.27 1.36 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 0.00 0.00 3 A 8.19 4.25 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 4 V 8.89 4.02 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 0.91 0.00 0.00 0.96 0.00 0.00 5 I 8.78 4.01 1.80 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.75 0.77 0.00 0.00 6 L 7.47 4.70 0.00 0.43 0.78 -0.38 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.75 5.41 0.00 2.02 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 0.00 2.27 2.46 0.00 8 S 9.44 4.64 0.00 2.72 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 9 I 7.97 4.72 1.86 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.27 1.02 0.00 0.00 10 F 9.14 5.45 0.00 2.62 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 11 L 8.41 4.61 0.00 0.88 1.46 0.64 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 12 K 9.17 5.05 0.00 2.03 1.68 0.00 1.33 0.00 0.00 1.54 0.00 0.00 2.72 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.32 1.31 7.81 13 R 8.61 4.42 0.00 2.01 1.88 0.00 2.96 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.50 0.00 14 S 8.53 4.33 0.00 3.84 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 15 Q 8.84 4.17 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.26 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 16 Q 8.82 3.28 0.00 2.20 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.19 0.00 0.00 0.00 0.00 0.00 2.19 1.90 0.00 17 K 8.56 4.22 0.00 1.85 2.09 0.00 1.71 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.20 0.94 7.81 18 K 7.75 4.63 0.00 1.72 1.57 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.79 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.23 0.95 7.81 19 K 8.58 4.39 0.00 1.76 1.66 0.00 1.92 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.32 0.99 7.81 20 T 8.47 3.36 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 21 S 8.36 3.75 0.00 3.69 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 22 P 0.00 4.70 0.00 2.08 1.91 0.00 3.70 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.61 0.00 23 L 7.52 4.45 0.00 1.65 1.39 0.88 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.52 5.14 0.00 2.52 2.64 0.00 0.00 6.38 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 F 8.71 5.07 0.00 2.69 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 26 K 8.91 4.72 0.00 1.68 1.66 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.39 7.81 27 K 8.68 4.55 0.00 1.67 1.75 0.00 1.87 0.00 0.00 2.02 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.98 1.35 7.81 28 C 9.44 5.07 0.00 2.80 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 29 L 9.12 4.91 0.00 1.90 1.78 1.05 1.03 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 30 F 9.80 5.42 0.00 2.79 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 31 L 9.60 5.69 0.00 1.88 1.73 0.88 0.34 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 32 L 8.96 5.43 0.00 1.81 1.14 1.03 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 33 T 8.70 5.13 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 1.32 0.00 0.00 34 V 8.56 3.56 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 0.68 0.00 0.00 0.69 0.00 0.00 35 H 7.81 4.89 0.00 3.23 3.34 0.00 5.80 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.45 5.10 0.00 1.74 1.67 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.43 7.81 37 L 9.06 5.33 0.00 1.93 1.66 1.64 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 38 S 9.35 5.30 0.00 3.52 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 39 Y 7.65 5.13 0.00 2.17 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 40 Y 9.11 5.21 0.00 2.92 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 41 E 9.33 4.58 0.00 1.99 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 2.39 2.31 0.00 42 Y 8.53 4.82 0.00 3.00 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 43 D 8.54 4.45 0.00 2.64 2.47 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 44 F 8.76 4.01 0.00 3.24 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 45 E 8.51 3.88 0.00 2.00 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 2.46 2.36 0.00 46 R 8.13 4.06 0.00 1.94 1.88 0.00 3.27 0.00 0.00 3.18 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.52 0.00 47 G 7.53 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 48 R 7.15 4.73 0.00 1.82 1.94 0.00 2.71 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.47 0.00 49 R 8.49 4.32 0.00 1.66 1.88 0.00 2.21 0.00 0.00 2.57 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.39 0.00 50 G 9.02 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 0.00 0.00 0.00 0.00 51 S 8.70 4.52 0.00 3.93 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 52 K 8.74 4.12 0.00 1.74 1.65 0.00 1.58 0.00 0.00 1.43 0.00 0.00 2.66 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.05 0.69 7.81 53 K 8.21 4.30 0.00 1.58 1.83 0.00 1.90 0.00 0.00 1.79 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.51 7.81 54 G 6.52 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 0.00 0.00 0.00 55 S 7.96 4.97 0.00 3.61 3.56 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 56 I 8.70 4.45 1.75 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.58 0.45 0.00 0.00 57 D 8.67 4.76 0.00 2.72 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 58 V 8.81 3.63 2.27 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 1.01 0.00 0.00 1.05 0.00 0.00 59 E 8.06 4.89 0.00 2.15 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 0.00 2.31 2.27 0.00 60 K 7.97 4.32 0.00 1.95 2.14 0.00 1.75 0.00 0.00 2.00 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.44 7.81 61 I 7.55 4.27 2.01 0.00 0.00 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 1.36 0.55 1.03 0.00 0.00 62 T 9.01 4.57 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 1.28 0.00 0.00 63 C 7.75 4.90 0.00 3.00 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 V 8.13 5.17 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 1.35 0.00 0.00 1.02 0.00 0.00 65 E 8.66 4.80 0.00 1.92 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.47 0.00 66 T 8.41 4.61 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 1.23 0.00 0.00 67 V 7.81 4.54 1.59 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 -0.36 0.00 0.00 0.88 0.00 0.00 68 V 8.45 3.73 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 0.81 0.00 0.00 0.97 0.00 0.00 69 P 0.00 4.69 0.00 2.13 2.05 0.00 3.77 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 70 E 8.68 4.32 0.00 1.99 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 2.22 2.44 0.00 71 K 8.78 4.17 0.00 1.74 1.87 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.41 7.81 72 N 7.58 4.97 0.00 2.59 2.67 0.00 0.00 6.92 8.02 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 73 P 0.00 4.37 0.00 2.06 2.13 0.00 3.74 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 1.93 1.92 0.00 74 P 0.00 4.40 0.00 2.30 2.08 0.00 3.45 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.66 0.00 75 P 0.00 4.42 0.00 2.15 2.13 0.00 3.81 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 2.08 2.02 0.00 76 E 8.12 4.14 0.00 2.27 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 2.21 2.20 0.00 77 R 8.14 4.73 0.00 1.62 1.79 0.00 2.21 0.00 0.00 2.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.21 0.00 78 Q 7.73 4.34 0.00 2.21 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.99 0.00 0.00 0.00 0.00 0.00 2.30 2.43 0.00 79 I 8.12 3.81 1.82 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.24 0.97 0.00 0.00 80 P 0.00 4.45 0.00 2.22 2.13 0.00 3.85 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 2.16 2.11 0.00 81 R 8.63 4.03 0.00 1.75 1.89 0.00 3.25 0.00 0.00 3.37 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.23 0.00 82 R 8.66 3.75 0.00 1.82 1.88 0.00 3.22 0.00 0.00 3.23 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00 83 G 7.10 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 0.00 0.00 0.00 84 E 8.24 4.52 0.00 1.86 1.73 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 2.06 1.69 0.00 85 E 8.60 3.82 0.00 2.11 1.89 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 2.14 1.85 0.00 86 S 7.68 4.47 0.00 3.69 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 87 S 8.62 4.55 0.00 3.62 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 88 E 7.91 4.74 0.00 1.95 1.68 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 2.16 2.12 0.00 89 M 8.56 4.16 0.00 1.98 2.02 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.54 0.00 90 E 8.72 4.13 0.00 2.01 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 2.38 2.24 0.00 91 Q 8.98 4.01 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.84 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 92 I 8.17 3.91 2.13 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 1.71 0.80 0.91 0.00 0.00 93 S 8.40 4.12 0.00 4.01 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 94 I 7.75 3.74 2.01 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 1.59 0.69 0.96 0.00 0.00 95 I 7.45 4.62 2.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.96 0.97 0.00 0.00 96 E 7.87 4.70 0.00 1.98 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 2.22 2.39 0.00 97 R 7.82 4.78 0.00 1.79 1.72 0.00 3.02 0.00 0.00 3.13 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.49 0.00 98 F 8.88 4.89 0.00 2.97 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 99 P 0.00 4.56 0.00 1.11 2.02 0.00 3.93 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.97 0.00 100 Y 8.17 4.72 0.00 3.10 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 0.00 101 P 0.00 4.81 0.00 1.63 0.63 0.00 3.67 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.00 0.00 102 F 8.68 5.22 0.00 3.12 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 0.00 103 Q 9.50 4.90 0.00 1.89 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.77 0.00 0.00 0.00 0.00 0.00 2.53 2.38 0.00 104 V 8.56 4.66 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 1.10 0.00 0.00 1.07 0.00 0.00 105 V 8.91 4.69 2.15 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 0.95 0.00 0.00 0.99 0.00 0.00 106 Y 8.00 4.84 0.00 3.16 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 0.00 107 D 9.27 4.44 0.00 2.79 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 0.00 108 E 7.39 3.94 0.00 1.67 1.76 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 2.27 2.23 0.00 109 G 7.11 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 0.00 110 P 0.00 4.73 0.00 1.43 1.97 0.00 3.48 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.11 0.00 111 L 8.66 4.54 0.00 1.97 1.75 0.83 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 112 Y 8.42 5.01 0.00 3.12 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 0.00 113 V 8.04 4.53 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.32 0.00 0.00 0.22 0.00 0.00 114 F 9.34 5.10 0.00 3.11 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 0.00 115 S 9.19 5.45 0.00 3.68 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 0.00 116 P 0.00 4.86 0.00 2.14 1.85 0.00 3.87 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.04 0.00 117 T 7.92 4.67 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 1.24 0.00 0.00 118 E 7.62 3.18 0.00 1.25 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 2.20 2.17 0.00 119 E 7.96 3.86 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 120 L 7.96 4.09 0.00 1.90 1.85 1.21 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 121 R 7.87 3.65 0.00 1.96 1.97 0.00 3.34 0.00 0.00 3.44 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.34 0.00 122 K 8.01 3.64 0.00 1.85 1.80 0.00 1.67 0.00 0.00 1.50 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.01 1.24 7.81 123 R 8.12 3.79 0.00 2.12 2.15 0.00 3.18 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 1.54 1.65 0.00 124 W 8.27 3.90 0.00 3.16 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 0.00 125 I 7.75 3.57 1.70 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 1.28 0.18 0.86 0.00 0.00 126 H 8.33 4.15 0.00 3.27 3.27 0.00 5.64 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 Q 8.02 3.91 0.00 2.15 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.81 0.00 0.00 0.00 0.00 0.00 2.12 2.27 0.00 128 L 8.24 4.04 0.00 1.87 1.77 1.29 1.06 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 0.00 129 K 8.09 3.96 0.00 1.90 1.80 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.42 1.53 7.81 130 N 8.03 4.34 0.00 2.78 2.94 0.00 0.00 7.18 7.62 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 0.00 131 V 7.75 3.74 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 0.80 0.00 0.00 0.99 0.00 0.00 132 I 7.43 4.24 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 1.68 1.13 1.02 0.00 0.00 133 R 6.99 3.52 0.00 1.55 0.94 0.00 2.21 0.00 0.00 2.87 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.36 0.00 134 Y 7.24 4.88 0.00 3.07 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 0.00 135 N 8.31 4.64 0.00 2.87 2.75 0.00 0.00 7.06 7.60 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 0.00 136 S 8.87 4.17 0.00 3.88 3.95 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 0.00 137 D 7.65 5.03 0.00 2.66 2.65 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 0.00 0.00 0.00 138 L 7.87 4.30 0.00 1.63 1.59 0.93 1.10 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 0.00 139 V 8.02 4.32 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 0.77 0.00 0.00 1.09 0.00 0.00 140 Q 8.45 4.56 0.00 2.17 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 141 K 7.57 5.32 0.00 1.59 1.84 0.00 1.76 0.00 0.00 1.89 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.35 1.43 7.81 142 Y 9.23 4.69 0.00 2.93 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 0.00 143 H 8.29 4.36 0.00 2.82 2.91 0.00 5.62 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 P 0.00 3.85 0.00 2.00 1.93 0.00 3.28 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.44 0.00 145 C 6.84 5.02 0.00 2.93 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 0.00 146 F 8.51 4.33 0.00 2.91 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 0.00 147 W 8.67 4.92 0.00 2.69 3.06 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 0.00 148 I 7.91 4.31 1.71 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.56 0.79 0.00 0.00 149 D 9.13 4.00 0.00 2.59 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 0.00 150 G 7.25 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 0.00 151 Q 5.74 4.36 0.00 2.38 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.95 0.00 0.00 0.00 0.00 0.00 1.94 2.06 0.00 152 Y 8.31 4.60 0.00 3.06 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 0.00 153 L 8.71 4.15 0.00 1.71 1.77 1.00 0.79 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 0.00 154 C 8.27 4.33 0.00 3.04 3.02 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 0.00 155 C 7.70 4.68 0.00 3.10 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 0.00 156 S 8.43 4.02 0.00 4.08 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 0.00 157 Q 7.64 4.28 0.00 2.46 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.78 0.00 0.00 0.00 0.00 0.00 2.44 2.37 0.00 158 T 8.81 4.72 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 159 A 7.79 4.82 1.41 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 0.00 0.00 0.00 160 K 8.71 3.93 0.00 1.48 1.55 0.00 0.97 0.00 0.00 0.61 0.00 0.00 2.45 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.30 0.64 7.81 161 N 8.06 4.73 0.00 2.82 2.87 0.00 0.00 5.98 7.26 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 0.00 162 A 7.72 4.14 1.45 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 0.00 163 M 8.62 4.09 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.52 0.00 164 G 8.44 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 C 7.97 4.49 0.00 2.94 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 0.00 166 Q 7.99 4.57 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 7.05 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 167 I 8.46 4.56 1.89 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 1.35 0.66 0.95 0.00 0.00 168 L 8.55 4.04 0.00 1.44 1.49 0.81 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 *179 E 8.63 4.06 0.00 2.06 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 0.00 2.18 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.