NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 T 4.6155 8.1749 111.0796 61.7090 70.5293 172.5362 20 I 4.5387 8.2476 121.9940 58.6228 40.8773 171.2966 21 E 4.9896 9.5327 127.0291 54.5100 33.0132 174.2588 22 I 4.4192 8.9345 127.6799 59.8650 38.6355 175.1572 23 I 4.2907 8.2405 128.2058 60.1484 38.8806 175.3471 24 A 4.3281 8.9892 127.3868 52.4934 18.8845 176.7418 25 P 4.6691 0.0000 0.0000 63.6126 32.3670 175.5632 26 L 4.7124 7.2521 116.7751 55.1650 42.7234 174.5135 27 S 4.6863 8.8387 116.2159 57.8123 64.5290 175.1680 28 G 4.4301 6.9648 107.5293 46.2161 0.0000 171.0494 29 E 5.0868 8.2392 120.1003 54.5574 31.8273 175.8907 30 I 4.2794 8.6080 126.1881 61.4975 37.8982 175.6557 31 V 4.5497 9.2301 126.2558 60.9954 35.4977 174.5091 32 N 4.8868 8.6450 121.1895 52.2977 39.8348 176.1793 33 I 3.6406 8.5213 121.3881 64.4565 38.0125 177.9811 34 E 4.1403 8.2263 117.2817 58.9731 29.2951 177.3691 35 D 4.5841 8.0735 117.2253 54.2626 41.3364 176.4108 36 V 3.9556 7.9771 121.9853 61.1962 31.7879 176.5530 37 P 4.7566 0.0000 0.0000 62.0440 30.1603 175.7863 38 D 4.7151 9.3989 119.2141 52.7464 44.3805 175.2765 39 V 3.8861 8.8336 126.2707 66.4343 31.4311 177.9613 40 V 3.3819 7.3520 116.2146 65.8918 31.2256 177.9025 41 F 4.3177 7.6466 116.3853 60.3242 39.0090 177.4900 42 A 4.2023 8.9169 121.0847 55.4427 18.2164 178.1470 43 E 4.3379 8.3561 112.3687 55.6867 28.2134 176.4428 44 K 4.1666 7.9435 117.3012 56.5274 30.2055 177.7850 45 I 4.0062 7.7690 120.9206 63.6238 37.3877 177.8111 46 V 3.8405 7.8636 118.5308 62.2269 31.7782 175.4304 47 G 4.2863 6.1568 105.2173 45.4203 0.0000 170.2083 48 D 4.9934 7.9255 117.6941 51.8954 44.3023 175.7237 49 G 4.2086 7.3135 108.3011 46.1801 0.0000 170.5085 50 I 4.7596 7.3284 114.0899 58.9733 41.5716 174.4347 51 A 5.0548 8.6372 122.0299 50.2234 22.7372 175.1608 52 I 4.8311 8.0808 120.0527 59.2876 41.0826 174.8382 53 K 4.6485 8.9553 128.6371 54.1774 32.9925 174.1492 54 P 5.6382 0.0000 0.0000 63.1699 31.9689 176.3145 55 T 4.6491 8.7460 114.6530 63.1922 70.9123 174.1654 56 G 4.2093 8.1830 111.5863 44.6212 0.0000 172.8493 57 N 4.0182 8.4801 119.8518 51.5921 39.3129 174.1545 58 K 4.9204 7.7097 117.0365 55.7712 36.2661 175.4696 59 M 4.9088 9.8902 123.2496 54.1752 33.7885 175.5724 60 V 4.8191 8.8567 124.0192 60.6656 34.6002 175.0135 61 A 4.4469 9.0914 126.6931 51.5103 18.7542 176.7471 62 P 4.6995 0.0000 0.0000 63.3897 33.0452 175.8516 63 V 4.7923 7.5907 111.6832 59.3783 36.2231 174.6000 64 D 4.6370 8.6572 122.0732 53.3370 41.7215 176.3648 65 G 4.2132 7.9548 111.6592 46.5754 0.0000 171.1644 66 T 5.3134 7.5374 118.5691 61.4214 71.5064 174.1986 67 I 3.7021 9.0179 128.6175 62.4145 37.6788 176.0526 68 G 3.9522 9.2458 115.3695 46.8037 0.0000 173.1088 69 K 4.9592 7.9567 120.7310 53.6479 36.3780 174.5343 70 I 5.0406 8.4885 125.5718 59.2319 39.1919 175.4030 71 F 4.6582 9.3273 127.3248 57.6327 39.3045 176.7394 72 E 4.7552 9.1983 121.2973 59.0505 29.2010 177.6712 73 T 4.3180 8.1120 108.5929 60.8821 69.2627 174.6921 74 N 4.2390 9.5513 117.7806 54.6719 37.0251 174.0952 75 H 3.9929 7.7196 111.3737 55.1495 29.8485 173.8013 76 A 4.7455 7.2493 120.1407 50.9857 22.7198 174.9876 77 F 5.3102 7.9860 113.2757 56.2472 41.8581 173.0839 78 S 5.2315 9.0177 115.2801 57.1679 67.1440 173.0231 79 I 4.8383 8.4670 118.9758 60.2055 42.2186 172.6419 80 E 5.1777 8.7066 127.7984 54.3578 31.5291 175.9145 81 S 4.7642 9.4924 120.4908 58.0630 64.0325 175.2794 82 D 4.3763 8.5789 121.4828 57.6364 40.6047 178.3044 83 S 4.2327 7.9869 109.8986 58.9140 62.8591 174.5827 84 G 3.8282 8.0832 108.9415 46.0027 0.0000 173.1709 85 V 4.1825 8.3675 120.6704 61.3195 33.3085 174.5206 86 E 5.1022 9.4446 128.2972 54.7172 31.4299 175.0374 87 L 5.3686 8.9584 124.9488 53.7730 44.6119 175.1662 88 F 5.1621 9.2135 121.7504 56.3860 42.9090 173.3845 89 V 4.2737 7.6694 125.9763 60.9503 33.9910 173.4870 90 H 4.3799 8.0744 127.3470 53.8405 32.4900 172.0548 91 F 3.8825 8.4412 129.8918 57.9293 39.6833 176.6433 92 G 3.8555 7.4973 115.4768 44.8045 0.0000 171.9142 93 I 4.4639 7.7331 118.8344 60.6604 38.9436 176.4539 94 D 4.7545 9.1425 123.0984 55.7194 38.1904 175.7592 95 T 3.9480 7.4395 118.9614 66.4037 68.0640 176.2832 96 V 3.7044 7.7891 119.7105 64.1350 31.5703 177.7683 97 E 4.1138 8.4737 120.2643 59.6538 29.4631 179.0016 98 L 4.0314 7.7650 118.7554 55.8265 41.4409 178.3654 99 K 3.7038 8.8171 115.8724 57.6427 30.3529 175.7623 100 G 4.2095 8.5242 107.7680 45.0742 0.0000 174.3243 101 E 4.0281 8.0191 121.7249 57.5133 29.3999 176.6818 102 G 3.7183 9.1365 114.3203 44.5936 0.0000 172.3977 103 F 5.1609 7.5118 117.8614 55.4994 41.6787 175.0371 104 K 4.5882 9.6517 123.4185 54.5486 35.1074 175.1570 105 R 4.4603 8.7054 126.2252 55.6111 29.9476 175.7960 106 I 4.1069 8.4682 128.3288 62.9833 38.1134 176.1986 107 A 4.6724 7.9488 124.6856 50.9236 21.5772 176.6166 *108 E 4.6712 8.5804 113.6335 53.5633 33.0317 173.9030 109 E 4.2010 8.7898 121.9017 57.9526 29.8174 176.3854 110 G 4.1426 8.8160 112.7839 45.6628 0.0000 173.9736 111 Q 4.1306 8.4197 123.4089 57.2614 30.3119 176.3142 112 R 5.0434 8.4395 124.4836 55.6356 31.2411 176.0556 113 V 4.7870 9.7501 119.7394 59.3054 36.8476 175.0150 *114 K 4.9533 8.6945 123.3026 53.3381 36.0153 173.9517 115 V 3.7089 8.1245 120.9921 64.0173 31.9229 176.5495 116 G 4.0561 8.8006 115.6596 45.4105 0.0000 173.4991 117 D 4.5116 8.3824 121.1364 54.2553 41.8128 176.2496 118 T 4.0470 8.5798 120.5833 64.2681 68.7814 173.3961 119 V 4.0688 8.8397 125.1908 63.9924 33.8948 175.3836 120 I 5.1428 7.4410 119.1747 59.7016 41.8708 173.6703 121 E 5.1678 9.6256 125.5207 54.6003 32.0723 175.1175 122 F 5.1729 8.4018 118.0229 55.2806 41.8271 174.4302 123 D 4.4355 9.7354 121.5111 53.0342 40.8632 176.4882 124 L 4.2634 8.4937 128.6667 57.7630 41.9708 176.6532 125 P 4.4036 0.0000 0.0000 64.7426 31.6382 178.0628 126 L 4.0532 7.9351 119.1170 58.2265 41.7675 178.6919 127 L 3.9183 7.7483 118.4994 57.8727 41.2911 179.3120 128 E 4.1299 8.1329 120.5340 59.3165 29.6899 178.4763 129 E 4.4729 8.2919 116.8874 58.2868 30.1714 180.0062 130 K 4.7724 7.7525 113.8817 56.7626 33.4908 175.3605 131 A 4.8587 7.5608 121.0270 50.2390 21.4061 176.9873 132 K 4.0189 8.8025 121.4557 59.6596 32.4263 177.2260 133 S 4.5863 7.7095 110.0453 57.6737 64.9119 174.3305 134 T 4.2685 8.1784 114.0910 60.9718 69.5488 174.3970 135 L 3.8323 7.3108 123.3215 56.1389 42.5658 176.4276 136 T 4.5521 8.4578 122.1728 60.1781 69.5494 172.1634 137 P 4.2702 0.0000 0.0000 62.3444 32.8192 175.7597 138 V 4.2831 8.7983 124.5127 61.2976 33.4943 174.4985 139 V 4.8721 8.5586 121.0459 59.5161 36.1363 175.2133 140 I 4.6655 8.3986 124.4737 60.3673 37.6207 176.9656 141 S 4.5040 9.3180 125.4794 59.4474 63.6267 175.0524 142 N 4.9990 7.6599 117.7673 51.4842 37.3348 175.7815 143 M 4.0239 8.1172 120.0569 59.8243 32.5674 179.1348 144 D 4.5088 8.0764 116.2802 56.4790 41.0321 176.6926 145 E 4.2955 8.3404 117.5425 56.3480 30.0480 175.8897 146 I 4.2842 7.9570 121.2859 59.8165 37.6745 175.6050 147 K 4.2819 8.5517 126.1370 58.6745 32.8392 177.9423 148 E 4.7265 8.0207 118.2327 54.3621 33.8500 174.3643 149 L 5.0518 8.6491 125.4004 53.3285 44.7794 175.2061 150 I 4.5501 9.0460 127.4586 59.4283 39.9829 174.5663 151 K 4.7424 8.6168 126.1123 54.8259 33.8301 176.4841 152 L 4.6140 8.3149 126.1053 53.9473 43.8157 174.9477 153 S 4.4991 8.1404 113.1634 57.7626 66.4312 173.3237 154 G 3.7850 8.6184 105.5510 44.7882 0.0000 171.5554 155 S 5.0700 8.3337 115.4629 57.7475 64.3509 174.4019 156 V 4.7220 8.9987 117.4756 59.6190 35.7068 174.5877 157 T 4.9044 9.1140 113.7827 59.7060 71.5897 173.6271 158 V 3.6314 8.4988 117.6114 62.8210 31.9946 175.9788 159 G 4.0245 8.4262 110.5126 46.4016 0.0000 172.6771 160 E 4.5019 7.7183 114.7380 57.8730 32.4482 176.4726 161 T 3.9708 7.6098 114.3297 62.8932 69.1736 172.0475 162 P 4.7776 0.0000 0.0000 63.2110 31.7236 176.4441 163 V 4.3194 9.7490 116.4156 62.2564 34.2535 175.6981 164 I 5.1208 7.4853 118.8810 59.8597 42.1815 174.2316 165 R 5.1441 9.1747 123.2485 54.4351 34.0366 174.5541 166 I 5.0594 8.8365 116.6402 58.9094 41.6006 174.1835 167 K 4.6474 8.7943 125.4988 54.6750 34.1075 176.4003 168 K 4.1818 8.6143 126.0100 56.7003 32.1891 176.7594 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 19 T 8.17 4.62 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 20 I 8.25 4.54 1.88 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 1.12 0.86 0.92 0.00 0.00 21 E 9.53 4.99 0.00 1.92 1.77 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 0.00 2.18 2.31 0.00 22 I 8.93 4.42 1.87 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 1.24 0.65 0.91 0.00 0.00 23 I 8.24 4.29 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 1.23 1.20 0.97 0.00 0.00 24 A 8.99 4.33 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 25 P 0.00 4.67 0.00 2.35 2.55 0.00 3.73 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.93 0.00 26 L 7.25 4.71 0.00 1.92 2.01 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 27 S 8.84 4.69 0.00 3.95 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 28 G 6.96 4.43 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 0.00 29 E 8.24 5.09 0.00 1.91 1.84 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 2.31 2.31 0.00 30 I 8.61 4.28 2.02 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 1.09 0.45 0.95 0.00 0.00 31 V 9.23 4.55 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 0.95 0.00 0.00 0.90 0.00 0.00 32 N 8.65 4.89 0.00 2.93 2.95 0.00 0.00 6.45 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 33 I 8.52 3.64 2.12 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 1.47 1.67 0.99 0.00 0.00 34 E 8.23 4.14 0.00 1.98 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 2.33 2.42 0.00 35 D 8.07 4.58 0.00 2.79 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 36 V 7.98 3.96 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 1.01 0.00 0.00 0.91 0.00 0.00 37 P 0.00 4.76 0.00 2.24 2.15 0.00 3.77 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 2.00 1.96 0.00 38 D 9.40 4.72 0.00 2.76 2.78 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 39 V 8.83 3.89 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 1.03 0.00 0.00 0.91 0.00 0.00 40 V 7.35 3.38 1.84 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 0.25 0.00 0.00 0.76 0.00 0.00 41 F 7.65 4.32 0.00 3.16 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 42 A 8.92 4.20 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 43 E 8.36 4.34 0.00 2.13 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 2.31 2.40 0.00 44 K 7.94 4.17 0.00 1.98 1.88 0.00 1.68 0.00 0.00 2.11 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.40 1.37 7.81 45 I 7.77 4.01 1.90 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 1.13 0.30 0.82 0.00 0.00 46 V 7.86 3.84 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 0.59 0.00 0.00 0.67 0.00 0.00 47 G 6.16 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 48 D 7.93 4.99 0.00 2.67 2.50 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 0.00 0.00 0.00 0.00 49 G 7.31 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 I 7.33 4.76 1.84 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 1.14 1.04 0.90 0.00 0.00 51 A 8.64 5.05 1.11 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 0.00 0.00 52 I 8.08 4.83 1.78 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 1.08 0.72 0.89 0.00 0.00 53 K 8.96 4.65 0.00 1.72 1.67 0.00 1.63 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.48 7.81 54 P 0.00 5.64 0.00 2.39 2.20 0.00 3.25 0.00 0.00 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.40 0.00 55 T 8.75 4.65 4.28 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 1.27 0.00 0.00 56 G 8.18 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 N 8.48 4.02 0.00 2.47 2.65 0.00 0.00 5.47 7.59 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 58 K 7.71 4.92 0.00 1.70 1.67 0.00 1.52 0.00 0.00 1.67 0.00 0.00 2.77 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.22 1.44 7.81 59 M 9.89 4.91 0.00 2.15 2.37 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 2.73 0.00 60 V 8.86 4.82 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 0.77 0.00 0.00 0.99 0.00 0.00 61 A 9.09 4.45 1.30 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 0.00 0.00 62 P 0.00 4.70 0.00 2.11 2.42 0.00 3.95 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.88 0.00 63 V 7.59 4.79 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 0.77 0.00 0.00 0.98 0.00 0.00 64 D 8.66 4.64 0.00 2.61 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 65 G 7.95 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 T 7.54 5.31 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 1.32 0.00 0.00 67 I 9.02 3.70 2.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.91 1.00 0.00 0.00 68 G 9.25 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 0.00 0.00 0.00 69 K 7.96 4.96 0.00 2.00 1.84 0.00 1.94 0.00 0.00 1.91 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.66 7.81 70 I 8.49 5.04 1.95 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 1.44 0.86 0.98 0.00 0.00 71 F 9.33 4.66 0.00 2.81 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 72 E 9.20 4.76 0.00 2.09 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 2.26 2.33 0.00 73 T 8.11 4.32 4.33 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 1.27 0.00 0.00 74 N 9.55 4.24 0.00 2.96 2.98 0.00 0.00 6.82 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 75 H 7.72 3.99 0.00 2.28 2.28 0.00 5.45 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 76 A 7.25 4.75 0.20 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 77 F 7.99 5.31 0.00 3.18 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 78 S 9.02 5.23 0.00 3.88 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 79 I 8.47 4.84 2.16 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.43 1.04 0.00 0.00 80 E 8.71 5.18 0.00 2.13 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 2.22 2.25 0.00 81 S 9.49 4.76 0.00 3.91 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 82 D 8.58 4.38 0.00 2.73 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 83 S 7.99 4.23 0.00 3.99 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 84 G 8.08 3.83 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 0.00 0.00 0.00 85 V 8.37 4.18 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.94 0.00 0.00 86 E 9.44 5.10 0.00 2.21 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 2.26 2.24 0.00 87 L 8.96 5.37 0.00 1.81 1.77 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 88 F 9.21 5.16 0.00 3.05 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 89 V 7.67 4.27 0.69 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 0.62 0.00 0.00 0.40 0.00 0.00 90 H 8.07 4.38 0.00 2.50 2.57 0.00 5.63 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 F 8.44 3.88 0.00 2.89 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 92 G 7.50 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 0.00 0.00 0.00 93 I 7.73 4.46 1.91 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 1.40 1.01 0.98 0.00 0.00 94 D 9.14 4.75 0.00 3.03 2.85 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 95 T 7.44 3.95 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 1.56 0.00 0.00 96 V 7.79 3.70 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 0.85 0.00 0.00 0.99 0.00 0.00 97 E 8.47 4.11 0.00 2.06 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 2.37 2.72 0.00 98 L 7.76 4.03 0.00 1.92 1.85 1.02 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 99 K 8.82 3.70 0.00 1.95 1.90 0.00 1.70 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.41 1.51 7.81 100 G 8.52 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 E 8.02 4.03 0.00 2.19 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 2.31 2.27 0.00 102 G 9.14 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 0.00 103 F 7.51 5.16 0.00 2.89 3.03 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 0.00 104 K 9.65 4.59 0.00 1.78 1.69 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.34 7.81 105 R 8.71 4.46 0.00 1.85 1.89 0.00 3.46 0.00 0.00 3.25 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.76 0.00 106 I 8.47 4.11 1.84 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 1.14 0.53 0.93 0.00 0.00 107 A 7.95 4.67 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 *108 E 8.58 4.67 0.00 1.90 1.77 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 0.00 2.12 2.10 0.00 109 E 8.79 4.20 0.00 1.98 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 2.45 2.38 0.00 110 G 8.82 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 0.00 0.00 0.00 111 Q 8.42 4.13 0.00 2.21 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 112 R 8.44 5.04 0.00 1.63 1.69 0.00 3.26 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 1.21 0.00 113 V 9.75 4.79 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 0.64 0.00 0.00 0.98 0.00 0.00 *114 K 8.69 4.95 0.00 1.41 1.60 0.00 1.85 0.00 0.00 1.57 0.00 0.00 2.74 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.26 1.22 7.81 115 V 8.12 3.71 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 0.91 0.00 0.00 1.08 0.00 0.00 116 G 8.80 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 0.00 117 D 8.38 4.51 0.00 2.71 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 0.00 118 T 8.58 4.05 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 1.17 0.00 0.00 119 V 8.84 4.07 1.51 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 0.34 0.00 0.00 0.47 0.00 0.00 120 I 7.44 5.14 1.99 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 0.67 1.22 0.00 0.00 121 E 9.63 5.17 0.00 1.84 1.77 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 0.00 2.12 2.16 0.00 122 F 8.40 5.17 0.00 2.35 2.89 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 0.00 123 D 9.74 4.44 0.00 2.64 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 L 8.49 4.26 0.00 2.21 1.72 1.37 1.13 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 0.00 125 P 0.00 4.40 0.00 2.06 2.10 0.00 3.97 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.13 0.00 126 L 7.94 4.05 0.00 1.78 1.57 0.97 0.66 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 0.00 127 L 7.75 3.92 0.00 1.84 1.75 -0.03 0.33 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 0.00 128 E 8.13 4.13 0.00 2.17 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 0.00 2.35 2.36 0.00 129 E 8.29 4.47 0.00 2.09 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 2.17 0.00 130 K 7.75 4.77 0.00 1.82 1.88 0.00 1.48 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.38 7.81 131 A 7.56 4.86 1.46 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 0.00 132 K 8.80 4.02 0.00 2.26 1.95 0.00 1.91 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.45 1.03 7.81 133 S 7.71 4.59 0.00 3.81 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 0.00 134 T 8.18 4.27 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 1.37 0.00 0.00 135 L 7.31 3.83 0.00 1.51 1.51 0.87 0.55 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 0.00 136 T 8.46 4.55 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 0.99 0.00 0.00 137 P 0.00 4.27 0.00 1.43 1.55 0.00 3.29 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.30 0.00 138 V 8.80 4.28 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 0.90 0.00 0.00 0.86 0.00 0.00 139 V 8.56 4.87 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 0.80 0.00 0.00 1.27 0.00 0.00 140 I 8.40 4.67 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 1.24 0.96 0.92 0.00 0.00 141 S 9.32 4.50 0.00 3.88 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 0.00 142 N 7.66 5.00 0.00 3.16 2.97 0.00 0.00 6.26 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 0.00 143 M 8.12 4.02 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.72 0.00 144 D 8.08 4.51 0.00 2.64 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 0.00 145 E 8.34 4.30 0.00 2.16 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 2.29 2.31 0.00 146 I 7.96 4.28 1.95 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 1.30 0.41 0.92 0.00 0.00 147 K 8.55 4.28 0.00 1.85 1.86 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.47 1.34 7.81 148 E 8.02 4.73 0.00 1.86 1.78 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 2.29 2.28 0.00 149 L 8.65 5.05 0.00 1.59 1.51 0.93 1.01 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 0.00 150 I 9.05 4.55 1.87 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 1.23 0.56 0.91 0.00 0.00 151 K 8.62 4.74 0.00 1.61 1.72 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.44 7.81 152 L 8.31 4.61 0.00 1.55 1.63 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 153 S 8.14 4.50 0.00 3.90 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 0.00 154 G 8.62 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 0.00 0.00 0.00 155 S 8.33 5.07 0.00 3.77 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 0.00 156 V 9.00 4.72 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 0.89 0.00 0.00 1.03 0.00 0.00 157 T 9.11 4.90 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 1.22 0.00 0.00 158 V 8.50 3.63 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 0.75 0.00 0.00 0.94 0.00 0.00 159 G 8.43 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 0.00 160 E 7.72 4.50 0.00 2.19 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 2.23 2.23 0.00 161 T 7.61 3.97 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 0.00 162 P 0.00 4.78 0.00 2.07 2.06 0.00 3.73 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 1.99 2.00 0.00 163 V 9.75 4.32 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 0.69 0.00 0.00 0.96 0.00 0.00 164 I 7.49 5.12 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 1.34 0.58 0.91 0.00 0.00 165 R 9.17 5.14 0.00 1.69 1.77 0.00 3.06 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 1.53 1.54 0.00 166 I 8.84 5.06 1.94 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 1.12 0.75 0.92 0.00 0.00 167 K 8.79 4.65 0.00 1.83 1.70 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.38 7.81 168 K 8.61 4.18 0.00 1.79 1.70 0.00 2.02 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.38 7.81 * Residues marked with a * may have inaccurate shift predictions.