NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.2016 7.8833 121.4006 61.2162 39.2038 173.8219 3 R 4.7671 8.3136 125.9668 53.7395 32.8761 173.3020 4 L 5.1936 9.4115 123.8660 52.9276 45.9976 175.1434 5 I 5.1723 8.3581 121.7684 59.5833 41.5835 173.7231 6 F 5.1312 9.5920 129.0100 56.6645 40.4639 175.0318 7 L 5.3072 9.3545 122.9276 53.1398 46.1897 174.9707 8 D 5.1912 8.8475 119.7533 52.9485 44.1282 176.6129 9 I 4.2254 8.4385 123.7564 59.1289 36.9792 175.8020 10 D 4.4846 7.3934 127.4826 51.8769 40.4865 178.1116 11 K 4.8795 8.5917 113.5654 59.6002 32.4075 179.1308 12 T 4.1145 8.0385 115.0288 65.5969 68.4412 174.5914 13 L 4.6417 7.3285 120.9675 54.5546 44.2889 176.2267 14 I 4.6328 8.2797 119.4818 58.6968 40.4980 174.3384 15 P 4.3772 0.0000 0.0000 65.0059 32.6781 177.1058 16 G 4.2232 7.6035 102.2917 46.0888 0.0000 172.8570 17 Y 4.6748 9.2564 121.0602 57.2302 38.7756 174.7635 18 E 4.4836 8.1701 120.7365 55.2791 30.4503 175.0665 19 P 4.5732 0.0000 0.0000 65.5263 32.3399 178.3249 20 D 4.4409 8.3771 118.2907 57.2849 40.5090 177.4941 21 P 4.2897 0.0000 0.0000 65.3311 31.4916 177.8574 22 A 4.2711 8.3751 119.1611 53.4560 18.5635 179.3258 23 K 3.8107 7.8950 117.7804 59.5153 32.2177 177.2700 24 P 4.2331 0.0000 0.0000 65.6231 31.2592 178.7998 25 I 3.6731 7.6415 118.0600 64.3441 37.1247 178.2866 26 I 3.6774 7.9902 120.8666 64.5673 36.9216 178.3352 27 E 3.9712 8.4038 119.5172 59.3254 29.0146 179.1130 28 E 3.8962 7.9753 118.4865 59.2917 30.0188 178.5502 29 L 4.0007 7.9365 119.0070 57.6388 41.3803 179.6928 30 K 4.0730 7.9777 117.6472 59.2216 32.4134 180.2654 31 D 4.7645 8.1508 120.2905 53.7238 40.2410 176.9900 *33 G 3.8720 7.8794 102.3685 46.0834 0.0000 173.4441 34 F 4.9786 8.3605 118.2824 55.7303 41.2255 175.4568 35 E 4.5370 8.9663 122.1527 55.1444 31.0386 175.2796 36 I 4.2767 8.2937 126.4175 60.3606 38.3238 175.4386 37 I 4.2345 8.2908 129.4371 59.3326 39.2153 175.1067 38 F 5.1627 8.5542 126.8413 57.3386 40.3507 174.5061 39 N 5.5460 9.7054 122.7775 52.1111 40.7826 172.8119 40 S 4.9171 8.8857 119.6801 56.7564 66.8329 175.0522 41 S 4.4005 8.7859 114.2054 60.5711 63.1467 175.1949 42 K 4.3734 8.0856 120.8602 56.1879 32.5146 176.7793 43 T 4.4825 8.8306 112.8222 61.2732 70.8869 175.7866 44 R 3.9186 8.5789 120.7828 59.4973 29.4918 178.1922 45 A 4.1416 7.9796 120.0277 55.3345 18.2045 179.3142 46 E 4.0139 8.2072 116.9072 59.8377 29.6114 179.7118 47 Q 4.0016 8.2932 118.0958 58.9479 28.7184 178.6458 48 E 3.9589 8.5635 120.0770 59.1651 29.4006 178.8369 49 Y 3.9845 7.6530 118.8393 61.0194 38.9112 177.7076 50 Y 3.6450 7.5767 117.5411 60.8919 37.8678 178.7474 51 R 4.0592 8.4280 119.4445 59.2557 30.0345 179.3336 52 K 3.9901 8.0248 118.2548 59.4997 31.8350 179.3906 53 E 3.8590 7.8237 117.8044 58.4327 29.3744 178.3215 54 L 4.4479 7.7927 116.1899 53.2523 42.6435 175.9380 55 E 3.7316 7.6417 117.6615 57.4066 27.4451 174.6449 56 V 4.3235 8.1871 118.0322 61.5705 32.9136 174.9011 57 E 4.7252 8.7426 125.9094 56.2655 30.3953 175.9720 58 T 3.8762 7.7210 109.8200 59.6016 70.4290 172.1405 59 P 4.7662 0.0000 0.0000 62.8279 32.1677 175.7759 60 F 5.3315 8.6408 115.6888 55.7682 42.4145 173.1335 61 I 5.2208 9.4172 120.2374 59.6185 40.3883 175.1400 62 S 5.2144 9.0941 120.8427 56.0604 66.4148 173.3355 63 E 4.1914 9.1231 117.5298 57.1316 27.6750 175.2367 64 N 3.9812 9.0198 112.3463 54.6056 36.8849 176.6713 65 G 3.9912 8.1877 101.7916 46.0334 0.0000 174.4381 66 S 4.0541 7.8532 116.9930 60.7104 63.3503 173.8593 67 A 4.6766 7.3466 120.0052 50.5590 22.4613 174.9951 68 I 4.6278 8.1145 122.1047 59.4554 40.0195 174.6455 69 F 4.5406 8.6683 126.4777 55.6333 40.9921 174.7215 70 I 4.5515 8.4900 125.6205 58.6246 39.3413 173.7144 71 P 4.8534 0.0000 0.0000 62.4294 32.4952 176.3988 72 K 4.1910 8.7189 124.0608 57.9349 32.3475 177.8631 73 G 3.9519 8.8818 111.8342 45.5236 0.0000 173.8870 74 Y 3.9508 7.8252 120.5806 60.1959 38.6275 176.0199 75 F 4.4639 7.5799 118.0587 55.5451 40.2640 174.2193 76 P 4.6268 0.0000 0.0000 62.7559 31.2222 175.3560 77 F 5.0023 6.5680 112.1189 55.0156 41.0386 173.6836 78 D 4.5385 8.6812 120.7149 53.9310 41.6770 175.5148 79 V 4.2286 8.0420 124.5055 60.6383 33.9012 175.0811 80 K 4.1205 8.7485 127.2891 55.8699 32.5257 176.5532 81 G 3.9848 7.8344 109.4417 46.0625 0.0000 171.6510 82 K 4.4499 8.0954 121.3561 55.8829 33.5446 175.7139 83 E 4.8583 8.7513 126.8358 55.6503 30.6035 176.2334 84 V 4.3840 8.6805 124.3072 61.7984 34.9166 175.0109 85 G 3.8514 8.4687 117.8445 47.3986 0.0000 172.8916 86 N 4.7634 8.3447 119.8460 53.4328 39.2080 173.1068 87 Y 5.5378 8.1910 113.0084 55.8416 43.0215 174.2863 88 I 4.9447 8.8754 121.6394 59.7480 39.8378 174.9881 89 V 4.4693 9.2478 127.9186 61.0788 34.2733 174.4785 90 I 4.5752 8.2933 129.0241 59.8015 38.4242 174.3530 91 E 4.3496 8.5301 127.3897 55.6230 29.7246 176.6332 92 L 4.5042 8.8496 123.4845 54.2440 43.9885 177.0417 93 G 4.2377 7.5139 108.2437 44.2985 0.0000 172.0118 94 I 4.5508 8.1119 120.0578 59.1455 39.6086 175.4046 95 R 4.4149 8.5850 123.9747 56.1317 30.6731 178.2921 96 V 3.7183 8.4462 122.6643 64.7519 31.2753 178.3896 97 E 3.9390 8.1733 119.8095 59.2917 29.2220 178.8151 98 K 4.1246 8.1094 118.2546 59.3763 32.0922 179.4964 99 I 3.5713 7.7067 119.7163 64.4948 37.1133 178.6075 100 R 3.8258 8.3813 119.0922 58.9428 29.5648 179.0006 101 E 3.9624 7.7121 117.7120 59.2744 29.5913 178.5937 102 E 3.9955 7.7765 119.2371 59.1566 29.6871 178.8391 103 L 3.7571 7.7949 119.1238 57.3404 41.2822 179.1388 104 K 3.9905 7.9384 119.1149 59.7471 32.1455 178.6852 105 K 4.1703 7.7551 117.4169 58.4846 32.2920 178.3851 106 L 4.6490 7.6713 117.7583 55.2643 42.5579 177.8664 107 E 3.9963 8.5055 120.4467 59.5186 29.3684 178.0776 108 N 4.7307 7.9591 112.0766 53.7248 39.1056 176.2508 109 I 4.0450 7.6208 121.5027 62.5019 38.1971 175.8448 110 Y 4.5531 8.0713 114.9395 56.7091 38.9418 175.8182 111 G 4.5255 7.9229 107.3411 45.4768 0.0000 173.6397 112 L 4.7100 7.8950 117.6157 54.2077 43.0528 178.1271 113 K 4.7307 8.8533 122.1727 54.8796 35.6462 175.1071 114 Y 5.0876 8.7996 122.2728 55.2578 41.7262 175.3946 115 Y 4.2997 9.4277 115.8518 61.5084 38.0044 179.4005 116 G 3.9633 9.2051 107.8903 47.8252 0.0000 173.6305 117 N 4.9030 7.2879 116.1053 52.2565 37.6278 174.1550 118 S 4.9066 7.7067 113.2859 57.2084 66.3552 174.6344 119 T 4.3546 8.5289 113.6286 60.7646 71.2339 176.1252 120 K 3.8705 8.4854 121.4861 59.6405 32.0693 179.3318 121 E 3.8486 7.9759 117.3211 59.5011 29.4513 178.9954 122 E 3.4385 7.8987 119.5997 58.8468 29.3537 179.3750 123 I 3.2235 7.7131 120.1054 64.0014 37.0760 178.0313 124 E 3.7877 8.0658 120.2111 59.0240 29.2212 178.7974 125 K 3.7530 7.3338 118.1960 59.4290 32.3137 178.4077 126 F 4.6132 7.3836 116.9429 60.9233 38.8743 177.3182 127 T 4.5633 8.0069 107.8890 61.5490 70.3014 172.8056 128 G 3.4854 8.2043 111.5650 44.7667 0.0000 169.7883 *130 P 3.9867 0.0000 0.0000 61.6902 32.9021 176.0900 131 P 4.1823 0.0000 0.0000 65.9141 30.9604 178.7413 132 E 3.8816 8.0481 115.9464 58.6729 29.7000 178.2248 133 L 4.2368 7.6736 117.1104 54.7798 41.7458 178.4925 134 V 3.6166 7.3140 119.2054 65.8346 31.1417 175.9945 135 P 4.2986 0.0000 0.0000 65.4780 31.1624 178.2379 136 L 4.1624 7.6433 117.1020 57.1689 41.9101 179.4821 137 A 4.3230 7.4451 121.5995 51.9896 17.8012 177.9170 *139 E 4.1389 7.9309 116.9212 57.7198 30.3540 176.4561 140 R 4.1415 7.5167 118.3803 56.0645 31.5525 176.8786 141 E 4.3594 9.4007 119.2513 57.0472 31.9452 177.4951 142 Y 5.6157 8.9977 112.1269 56.5853 40.4623 174.3955 143 S 4.9790 7.6851 112.2954 57.7734 65.5756 173.7720 144 E 5.0305 9.0414 119.8772 54.9694 33.9019 174.8240 145 T 4.9182 8.6921 117.6263 61.8950 71.6618 173.3599 146 I 4.2534 8.6598 127.9704 60.2118 37.6496 176.4357 147 F 4.0645 8.6136 127.7693 59.5140 39.5539 176.1020 148 E 4.6071 7.9071 116.0154 54.9434 34.0786 174.2070 149 W 5.7924 7.5762 116.6229 56.4845 30.6210 174.6412 150 S 4.6709 9.7741 118.4972 60.5784 63.6884 174.2971 151 R 5.0314 8.2046 113.2137 55.3573 31.6117 173.9555 152 D 4.6813 8.5875 119.6535 53.2035 42.3143 175.8138 153 G 4.0347 8.2039 108.7467 46.2028 0.0000 176.6953 154 W 3.3308 7.0937 117.5215 58.9082 27.9048 178.1692 155 E 3.2020 6.0327 118.9111 59.0938 28.7085 178.9564 156 E 3.7951 7.5627 117.9422 59.1501 29.5454 179.4480 157 V 3.5335 7.2621 118.1193 65.9344 31.6179 178.0778 158 L 3.9569 7.8377 118.6301 57.9267 41.5082 179.6996 159 V 4.3086 7.8516 119.5421 65.5619 31.1780 177.6735 160 E 4.1014 8.3931 118.6762 58.7897 29.5640 178.1537 161 G 4.0312 7.8308 103.2781 45.0304 0.0000 174.3520 162 G 3.8631 8.1136 109.4640 44.7307 0.0000 173.7431 163 F 4.5598 8.2363 118.6730 56.4758 41.1742 174.7536 164 K 4.7388 8.8377 121.0642 55.0031 34.0977 175.7652 165 V 4.7438 8.3862 123.9941 61.9417 33.7730 174.2634 166 T 4.7854 8.8544 128.0792 61.9800 71.9195 173.6405 *168 G 3.9087 8.4458 110.6754 45.7914 0.0000 173.7872 169 S 4.1988 8.5544 113.2384 60.0517 62.4906 173.9359 170 R 4.1061 6.9751 113.2563 56.0557 31.4132 175.2871 171 F 5.5127 7.3491 117.1400 54.9211 42.9917 173.7223 172 Y 4.8194 8.8169 116.4963 57.6611 39.9674 174.9315 173 T 5.1679 9.2361 118.3923 61.8593 72.3914 173.1319 174 V 4.9654 8.8555 126.1036 61.7424 34.0726 174.3015 175 H 4.9257 8.9491 122.8748 55.6424 31.6431 171.7336 176 G 4.2071 8.5893 108.7221 45.9056 0.0000 174.1105 177 N 4.6877 8.6640 123.2445 53.2153 38.6581 174.6323 178 S 4.5994 7.6060 114.1443 57.2073 64.6817 171.5245 179 D 4.8626 7.6603 119.0117 52.8895 41.7150 176.2599 180 K 3.9440 8.5006 118.0232 59.3586 32.4747 180.1087 181 G 3.5230 8.0455 106.7992 46.9654 0.0000 175.8912 182 K 3.9070 8.9124 121.3078 59.0497 32.0634 179.3953 183 A 3.9116 7.8942 120.5200 55.0093 18.3040 179.4993 184 A 3.9933 7.8391 119.3276 55.0914 18.3346 179.7552 185 K 3.8515 8.0919 118.1408 59.7679 31.8600 179.1433 186 I 3.4438 7.4659 119.6079 64.0823 37.0433 178.2515 187 L 3.9417 7.9940 121.2490 58.0139 41.9772 178.6835 188 L 4.3278 8.6046 120.8127 58.5192 41.8195 178.7647 189 D 4.4272 8.0552 117.7775 57.0452 40.9193 178.5454 190 F 4.5984 7.6694 118.2132 60.9159 38.8527 177.2927 191 Y 4.3236 8.3039 116.1264 60.9674 37.7263 178.3390 192 K 4.5168 8.3319 119.6688 57.7171 31.9074 178.9299 193 R 4.0234 7.7741 118.1567 57.8474 30.0043 177.4872 194 L 4.5831 7.7948 117.7775 55.1979 42.1842 176.4932 195 G 4.0765 8.3718 104.8840 43.9664 0.0000 174.3200 196 Q 4.3576 8.5899 123.4557 56.0161 29.2763 175.4682 197 I 4.9181 8.1652 122.2802 59.4371 41.4899 174.1814 198 E 4.8874 9.1551 126.8143 54.4598 32.0425 174.5916 199 S 5.5500 9.2816 121.8806 56.9437 65.9621 172.7784 200 Y 5.5430 9.5480 119.2627 56.5795 42.4604 174.1928 201 A 5.4284 9.1796 121.6975 50.7606 23.3149 175.4764 202 V 4.9681 9.0150 121.1470 61.3348 34.2071 174.7987 203 G 4.7498 9.4402 114.5016 44.8446 0.0000 172.7488 204 D 5.0312 9.2143 114.5986 53.6116 41.5282 174.8801 205 S 4.6990 7.9261 113.8994 56.6532 66.4127 174.3363 206 Y 2.3900 8.2754 119.0718 59.4067 37.6192 177.6002 207 N 3.5996 7.1484 114.8579 53.5241 37.4809 174.9971 208 D 4.2611 7.0872 118.4107 55.1419 41.5113 177.5257 209 F 4.0675 7.3529 118.8143 60.2574 38.6721 176.8268 210 P 4.2146 0.0000 0.0000 62.9609 30.1881 178.0658 *212 F 5.1188 8.1402 119.6233 57.8574 40.6566 177.0275 213 E 3.8843 8.0140 117.7602 58.0698 29.3507 177.7263 214 V 4.1649 7.6734 110.0501 61.0534 32.8205 175.6891 215 V 4.4107 6.9174 112.7017 59.5522 33.8774 175.8176 216 D 4.4658 8.5302 120.9864 56.7188 41.3383 177.3873 217 K 4.3659 7.9516 119.5926 54.2430 35.2541 174.8890 218 V 4.8011 7.9716 126.2266 60.9942 34.6733 173.9125 219 F 5.2595 9.1737 125.6490 55.6517 42.8946 173.9419 220 I 5.0210 8.7406 123.5151 59.5329 40.0124 174.9234 221 V 4.2208 8.8448 128.6398 65.3035 31.4779 174.0680 222 G 3.8279 7.9216 117.2301 44.7754 0.0000 172.4850 223 S 4.5767 8.4898 114.9891 58.0025 64.0358 174.1095 224 L 4.0057 8.0587 122.6240 55.6082 42.0154 176.1731 225 K 4.5605 8.5427 125.2145 55.6280 33.7735 175.7305 226 H 4.3491 8.8207 120.3565 56.5935 33.7606 175.2654 227 K 3.8745 7.4603 120.8970 55.4104 33.4886 176.0925 228 K 4.3681 8.5227 123.0817 57.0006 33.5769 176.9747 229 A 4.5741 7.8955 120.4650 51.0526 21.4976 177.2015 230 Q 4.2580 8.2360 124.1688 54.9175 30.4099 174.5199 231 N 5.1935 8.7313 124.5265 53.3133 39.6012 174.8613 232 V 4.5900 8.9049 115.5406 59.8625 36.2025 176.9573 233 S 4.1452 8.9964 118.2654 61.4209 63.3360 174.3222 234 S 4.5491 8.1842 112.9595 55.9633 66.0915 174.8978 235 I 3.6285 8.2782 119.1590 64.0389 37.3553 177.5380 236 I 3.6492 7.4263 121.0221 64.5136 36.8984 178.0045 237 D 4.3462 7.9398 119.1532 57.1216 40.5663 179.0816 238 V 2.8219 7.3418 118.3577 65.6905 31.5709 177.8543 239 L 3.7760 7.4818 118.2732 57.7925 41.1946 179.4563 240 E 3.9197 7.7855 117.4122 59.4087 29.4864 179.2703 241 V 3.8023 7.6569 117.2243 66.0886 31.6744 177.8793 242 I 4.0254 7.5819 118.7757 64.0607 37.0035 176.7725 243 K 4.2984 7.8412 122.8721 56.7278 32.0266 176.6457 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 I 7.88 4.20 1.93 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.57 0.96 0.00 0.00 3 R 8.31 4.77 0.00 0.87 0.84 0.00 2.81 0.00 0.00 2.62 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.43 0.00 4 L 9.41 5.19 0.00 1.46 1.20 0.42 -0.53 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 5 I 8.36 5.17 1.81 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.84 0.81 0.00 0.00 6 F 9.59 5.13 0.00 3.18 3.07 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 0.00 0.00 0.00 7 L 9.35 5.31 0.00 1.68 1.68 0.90 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 8 D 8.85 5.19 0.00 2.74 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 9 I 8.44 4.23 1.46 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.24 -0.14 0.00 0.00 10 D 7.39 4.48 0.00 2.77 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 K 8.59 4.88 0.00 1.86 1.88 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.42 7.81 12 T 8.04 4.11 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 1.24 0.00 0.00 13 L 7.33 4.64 0.00 1.74 1.59 0.94 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 14 I 8.28 4.63 1.85 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.56 1.04 0.00 0.00 15 P 0.00 4.38 0.00 2.06 2.12 0.00 3.63 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 2.04 2.09 0.00 16 G 7.60 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 9.26 4.67 0.00 2.97 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 18 E 8.17 4.48 0.00 2.05 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 2.42 2.35 0.00 19 P 0.00 4.57 0.00 2.12 2.17 0.00 3.70 0.00 0.00 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 2.16 0.00 20 D 8.38 4.44 0.00 2.71 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 4.29 0.00 2.04 2.14 0.00 3.93 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 2.06 2.19 0.00 22 A 8.38 4.27 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 23 K 7.90 3.81 0.00 1.92 1.90 0.00 1.68 0.00 0.00 1.64 0.00 0.00 3.11 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.63 7.81 24 P 0.00 4.23 0.00 2.14 2.09 0.00 3.75 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 25 I 7.64 3.67 2.00 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 1.62 1.17 0.85 0.00 0.00 26 I 7.99 3.68 2.04 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.05 0.96 0.00 0.00 27 E 8.40 3.97 0.00 2.11 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 2.50 2.46 0.00 28 E 7.98 3.90 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.37 1.02 0.00 0.00 38 F 8.55 5.16 0.00 3.20 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 39 N 9.71 5.55 0.00 3.02 2.91 0.00 0.00 7.00 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 S 8.89 4.92 0.00 4.33 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 41 S 8.79 4.40 0.00 3.94 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 42 K 8.09 4.37 0.00 1.86 1.86 0.00 1.54 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.51 1.37 7.81 43 T 8.83 4.48 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 1.20 0.00 0.00 44 R 8.58 3.92 0.00 1.53 1.98 0.00 2.74 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.54 0.00 45 A 7.98 4.14 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 46 E 8.21 4.01 0.00 2.31 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 0.00 2.41 2.48 0.00 47 Q 8.29 4.00 0.00 1.98 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.79 0.00 0.00 0.00 0.00 0.00 2.32 2.61 0.00 48 E 8.56 3.96 0.00 2.08 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 2.29 2.35 0.00 49 Y 7.65 3.98 0.00 2.94 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 50 Y 7.58 3.65 0.00 2.99 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 51 R 8.43 4.06 0.00 1.76 2.18 0.00 2.56 0.00 0.00 2.54 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.78 0.00 52 K 8.02 3.99 0.00 1.88 1.79 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.57 7.81 53 E 7.82 3.86 0.00 1.70 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 1.70 1.47 0.00 54 L 7.79 4.45 0.00 1.77 1.78 1.07 0.87 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 55 E 7.64 3.73 0.00 2.07 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 0.00 2.24 2.21 0.00 56 V 8.19 4.32 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 1.06 0.00 0.00 57 E 8.74 4.73 0.00 2.02 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 2.23 2.28 0.00 58 T 7.72 3.88 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 1.31 0.00 0.00 59 P 0.00 4.77 0.00 1.96 2.02 0.00 3.21 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.25 0.00 60 F 8.64 5.33 0.00 3.58 3.20 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 61 I 9.42 5.22 2.18 0.00 0.00 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 1.37 1.26 0.98 0.00 0.00 62 S 9.09 5.21 0.00 4.28 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 0.00 63 E 9.12 4.19 0.00 2.29 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 2.37 2.38 0.00 64 N 9.02 3.98 0.00 2.89 2.74 0.00 0.00 7.05 7.38 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 65 G 8.19 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 0.00 0.00 0.00 66 S 7.85 4.05 0.00 3.85 3.60 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 67 A 7.35 4.68 0.56 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 0.00 0.00 68 I 8.11 4.63 1.80 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 1.20 0.67 0.97 0.00 0.00 69 F 8.67 4.54 0.00 1.51 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 I 8.49 4.55 1.96 0.00 0.00 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 1.37 0.86 0.96 0.00 0.00 71 P 0.00 4.85 0.00 2.14 2.04 0.00 3.40 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.47 0.00 72 K 8.72 4.19 0.00 1.87 1.75 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.51 1.49 7.81 73 G 8.88 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 0.00 0.00 0.00 74 Y 7.83 3.95 0.00 2.83 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 75 F 7.58 4.46 0.00 2.60 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 76 P 0.00 4.63 0.00 2.19 2.08 0.00 3.35 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.97 0.00 77 F 6.57 5.00 0.00 3.01 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 D 8.68 4.54 0.00 2.68 2.64 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 79 V 8.04 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0.00 0.00 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 I 8.88 4.94 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 1.16 0.76 0.97 0.00 0.00 89 V 9.25 4.47 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 0.42 0.00 0.00 1.11 0.00 0.00 90 I 8.29 4.58 1.81 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 1.31 1.16 0.91 0.00 0.00 91 E 8.53 4.35 0.00 1.83 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 2.28 2.32 0.00 92 L 8.85 4.50 0.00 1.44 1.56 0.85 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 93 G 7.51 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 0.00 0.00 0.00 0.00 94 I 8.11 4.55 2.02 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 0.74 1.04 0.00 0.00 95 R 8.59 4.41 0.00 1.92 1.85 0.00 3.14 0.00 0.00 3.44 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.73 0.00 96 V 8.45 3.72 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 0.97 0.00 0.00 1.01 0.00 0.00 97 E 8.17 3.94 0.00 2.06 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 2.40 2.43 0.00 98 K 8.11 4.12 0.00 2.13 2.03 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.69 7.81 99 I 7.71 3.57 2.02 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 1.89 0.95 0.75 0.00 0.00 100 R 8.38 3.83 0.00 2.03 2.02 0.00 3.17 0.00 0.00 3.26 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.74 0.00 101 E 7.71 3.96 0.00 2.11 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 0.00 2.37 2.57 0.00 102 E 7.78 4.00 0.00 1.76 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 2.08 0.00 103 L 7.79 3.76 0.00 1.26 1.01 -0.05 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 104 K 7.94 3.99 0.00 1.86 2.10 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.16 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.57 7.81 105 K 7.76 4.17 0.00 1.87 1.88 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.49 1.66 7.81 106 L 7.67 4.65 0.00 1.68 1.87 0.86 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 107 E 8.51 4.00 0.00 2.28 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 0.00 2.36 2.48 0.00 108 N 7.96 4.73 0.00 2.74 2.83 0.00 0.00 6.86 7.45 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 0.00 109 I 7.62 4.04 1.93 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 1.57 0.51 0.22 0.00 0.00 110 Y 8.07 4.55 0.00 3.05 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 0.00 111 G 7.92 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 L 7.90 4.71 0.00 1.68 1.59 0.57 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 113 K 8.85 4.73 0.00 1.57 1.70 0.00 1.56 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.35 1.73 7.81 114 Y 8.80 5.09 0.00 3.19 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 0.00 115 Y 9.43 4.30 0.00 3.61 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 G 9.21 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 N 7.29 4.90 0.00 2.54 2.41 0.00 0.00 6.76 7.51 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 0.00 118 S 7.71 4.91 0.00 3.89 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 0.00 119 T 8.53 4.35 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 1.19 0.00 0.00 120 K 8.49 3.87 0.00 1.77 1.87 0.00 1.64 0.00 0.00 1.84 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.49 7.81 121 E 7.98 3.85 0.00 2.02 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 2.26 0.00 122 E 7.90 3.44 0.00 1.94 1.44 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 2.05 2.16 0.00 123 I 7.71 3.22 1.93 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.72 0.89 0.00 0.00 124 E 8.07 3.79 0.00 2.05 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 2.21 2.22 0.00 125 K 7.33 3.75 0.00 1.61 1.44 0.00 1.65 0.00 0.00 1.57 0.00 0.00 3.06 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.22 1.38 7.81 126 F 7.38 4.61 0.00 2.36 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 0.00 0.00 0.00 127 T 8.01 4.56 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 1.30 0.00 0.00 128 G 8.20 3.49 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 0.00 0.00 0.00 0.00 0.00 0.00 *130 P 0.00 3.99 0.00 1.99 1.93 0.00 2.73 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 131 P 0.00 4.18 0.00 2.07 2.14 0.00 3.50 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 2.04 2.43 0.00 132 E 8.05 3.88 0.00 1.78 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 2.25 2.39 0.00 133 L 7.67 4.24 0.00 1.59 1.58 0.96 -0.03 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 0.00 134 V 7.31 3.62 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 1.05 0.00 0.00 0.95 0.00 0.00 135 P 0.00 4.30 0.00 2.00 2.08 0.00 3.73 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.15 0.00 136 L 7.64 4.16 0.00 1.71 1.80 0.74 0.77 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 0.00 137 A 7.45 4.32 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 0.00 0.00 0.00 0.00 0.00 0.00 *139 E 7.93 4.14 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 2.19 2.45 0.00 140 R 7.52 4.14 0.00 1.76 1.97 0.00 2.96 0.00 0.00 2.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.52 0.00 141 E 9.40 4.36 0.00 1.88 1.19 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 2.12 2.21 0.00 142 Y 9.00 5.62 0.00 2.94 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 0.00 143 S 7.69 4.98 0.00 4.00 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 0.00 144 E 9.04 5.03 0.00 1.83 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 2.24 2.27 0.00 145 T 8.69 4.92 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 0.62 0.00 0.00 146 I 8.66 4.25 1.91 0.00 0.00 0.55 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 1.03 0.54 0.00 0.00 147 F 8.61 4.06 0.00 1.74 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 0.00 148 E 7.91 4.61 0.00 1.77 1.63 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 2.09 1.67 0.00 149 W 7.58 5.79 0.00 3.36 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 0.00 150 S 9.77 4.67 0.00 3.85 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.20 5.03 0.00 2.07 1.99 0.00 2.97 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.93 0.00 152 D 8.59 4.68 0.00 2.74 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 0.00 153 G 8.20 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 0.00 154 W 7.09 3.33 0.00 3.12 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 0.00 0.00 0.00 155 E 6.03 3.20 0.00 1.28 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 1.47 1.47 0.00 156 E 7.56 3.80 0.00 2.03 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 2.29 2.26 0.00 157 V 7.26 3.53 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 1.04 0.00 0.00 0.97 0.00 0.00 158 L 7.84 3.96 0.00 1.86 1.71 0.99 0.31 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 0.00 159 V 7.85 4.31 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 1.26 0.00 0.00 0.92 0.00 0.00 160 E 8.39 4.10 0.00 2.20 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 0.00 2.32 2.47 0.00 161 G 7.83 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 0.00 162 G 8.11 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 0.00 163 F 8.24 4.56 0.00 3.16 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 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9.24 5.17 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 1.38 0.00 0.00 174 V 8.86 4.97 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 0.98 0.00 0.00 0.97 0.00 0.00 175 H 8.95 4.93 0.00 3.28 3.47 0.00 5.30 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 0.00 176 G 8.59 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 0.00 177 N 8.66 4.69 0.00 2.68 2.80 0.00 0.00 6.60 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 0.00 178 S 7.61 4.60 0.00 3.91 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 0.00 179 D 7.66 4.86 0.00 2.80 2.68 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 0.00 180 K 8.50 3.94 0.00 1.69 1.80 0.00 1.61 0.00 0.00 1.78 0.00 0.00 3.13 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.63 1.34 7.81 181 G 8.05 3.52 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 0.00 182 K 8.91 3.91 0.00 1.69 1.81 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.69 7.81 183 A 7.89 3.91 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 0.00 184 A 7.84 3.99 0.83 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 0.00 185 K 8.09 3.85 0.00 1.87 1.91 0.00 1.59 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.40 1.58 7.81 186 I 7.47 3.44 1.83 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.79 0.45 0.00 0.00 187 L 7.99 3.94 0.00 2.07 2.10 1.25 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 188 L 8.60 4.33 0.00 2.07 1.95 1.08 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 189 D 8.06 4.43 0.00 2.66 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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1.53 1.05 0.99 0.00 0.00 198 E 9.16 4.89 0.00 2.05 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 2.33 2.20 0.00 199 S 9.28 5.55 0.00 4.17 4.07 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 0.00 0.00 0.00 200 Y 9.55 5.54 0.00 3.18 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 201 A 9.18 5.43 1.47 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 0.00 202 V 9.02 4.97 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 0.87 0.00 0.00 0.99 0.00 0.00 203 G 9.44 4.75 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 0.00 204 D 9.21 5.03 0.00 2.80 2.77 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 0.00 0.00 0.00 205 S 7.93 4.70 0.00 3.90 3.90 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 0.00 206 Y 8.28 2.39 0.00 2.64 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 0.00 207 N 7.15 3.60 0.00 2.43 2.31 0.00 0.00 5.99 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 208 D 7.09 4.26 0.00 2.41 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 0.00 0.00 0.00 209 F 7.35 4.07 0.00 2.97 2.90 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 0.00 210 P 0.00 4.21 0.00 2.11 1.99 0.00 3.48 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 1.96 2.07 0.00 *212 F 8.14 5.12 0.00 3.25 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 0.00 213 E 8.01 3.88 0.00 2.10 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 2.67 2.47 0.00 214 V 7.67 4.16 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 0.72 0.00 0.00 0.78 0.00 0.00 215 V 6.92 4.41 2.33 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 0.76 0.00 0.00 1.10 0.00 0.00 216 D 8.53 4.47 0.00 2.51 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 0.00 217 K 7.95 4.37 0.00 1.11 1.38 0.00 0.83 0.00 0.00 1.15 0.00 0.00 2.58 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.12 1.45 7.81 218 V 7.97 4.80 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 -0.26 0.00 0.00 0.85 0.00 0.00 219 F 9.17 5.26 0.00 3.01 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 0.00 220 I 8.74 5.02 1.92 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.66 1.12 0.00 0.00 221 V 8.84 4.22 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 0.79 0.00 0.00 0.97 0.00 0.00 222 G 7.92 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 0.00 223 S 8.49 4.58 0.00 3.90 3.94 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 0.00 224 L 8.06 4.01 0.00 1.73 1.83 1.05 1.08 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 0.00 225 K 8.54 4.56 0.00 1.83 1.72 0.00 1.85 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.61 1.38 7.81 226 H 8.82 4.35 0.00 2.72 2.97 0.00 5.87 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 227 K 7.46 3.87 0.00 1.57 1.64 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.76 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.24 1.04 7.81 228 K 8.52 4.37 0.00 1.73 1.76 0.00 1.45 0.00 0.00 1.61 0.00 0.00 3.02 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.20 1.27 7.81 229 A 7.90 4.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 230 Q 8.24 4.26 0.00 1.90 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.96 0.00 0.00 0.00 0.00 0.00 2.35 2.30 0.00 231 N 8.73 5.19 0.00 2.66 2.90 0.00 0.00 6.92 7.68 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 0.00 232 V 8.90 4.59 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 0.94 0.00 0.00 1.11 0.00 0.00 233 S 9.00 4.15 0.00 4.06 3.93 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 0.00 0.00 0.00 234 S 8.18 4.55 0.00 3.96 3.94 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 0.00 235 I 8.28 3.63 1.99 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.08 0.87 0.00 0.00 236 I 7.43 3.65 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.80 0.88 0.00 0.00 237 D 7.94 4.35 0.00 2.83 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 0.00 238 V 7.34 2.82 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 0.29 0.00 0.00 0.58 0.00 0.00 239 L 7.48 3.78 0.00 1.82 1.69 0.87 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 240 E 7.79 3.92 0.00 2.09 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 2.46 2.44 0.00 241 V 7.66 3.80 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 1.18 0.00 0.00 1.16 0.00 0.00 242 I 7.58 4.03 1.73 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.66 0.93 0.00 0.00 243 K 7.84 4.30 0.00 1.92 1.74 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.69 7.81 * Residues marked with a * may have inaccurate shift predictions.