NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 H 4.6843 8.4444 117.8607 55.5028 30.1843 172.5063 1 M 4.1858 8.5409 124.0855 55.2768 32.8637 173.8168 2 K 5.3864 9.4237 126.1732 54.4831 35.5041 174.9903 3 I 4.8507 8.4863 123.4059 59.7779 40.0366 174.6948 4 F 5.6050 8.9393 125.9283 56.1490 41.9110 174.7126 5 L 5.0999 8.4649 121.2304 53.6969 43.6775 176.1863 6 D 5.1595 9.2178 124.8177 53.4725 39.5012 175.3059 7 T 4.4235 8.1463 115.5871 61.3632 71.1259 172.3568 8 A 4.5806 8.5501 125.0280 51.2004 20.4511 176.0877 9 N 4.5706 8.7534 119.6881 53.8894 40.0318 176.4918 *10 L 4.2086 8.5397 133.7565 59.6486 41.1622 176.3924 *11 E 4.1711 8.4053 117.8813 61.4654 29.7297 182.7582 12 E 3.1189 8.0514 119.4938 58.9994 29.3853 179.5686 13 I 3.6859 7.4901 121.6383 64.6375 37.0802 179.2502 14 K 3.8299 8.1171 124.8605 59.6505 31.4547 180.8393 15 K 3.4670 7.9442 120.7051 59.2066 32.0568 179.3086 16 G 3.9640 7.8624 105.4651 48.1798 0.0000 175.7349 17 V 3.7695 8.0506 122.9403 66.0649 31.3351 178.3838 *18 E 3.9910 8.3979 117.6888 61.1842 29.5949 181.2633 19 W 4.9544 8.2938 118.5119 57.1172 29.2617 176.8678 20 G 4.0175 8.1311 106.8635 46.7251 0.0000 174.2757 21 I 4.4577 7.9793 112.0217 59.7503 39.2582 175.2207 22 V 4.5495 7.9256 121.2187 61.6452 32.5842 174.5694 23 D 4.8170 9.2018 126.7719 54.8776 42.9795 175.9876 24 G 3.4591 7.5487 103.8606 45.8064 0.0000 172.0869 25 V 4.9483 7.7110 118.8000 61.4490 35.2254 174.3174 26 T 4.8378 9.1615 124.0117 62.1622 71.1300 173.4839 27 T 5.0423 8.3370 121.0756 62.0646 72.9754 172.8626 28 N 5.2399 8.5388 117.6923 50.0822 40.1429 173.9229 29 P 4.5270 0.0000 0.0000 66.0087 31.2670 178.4354 30 T 4.0362 8.2299 117.9836 67.6097 68.1179 176.6014 31 L 4.0373 9.8596 125.4735 60.2061 41.1550 181.4507 *32 I 4.0400 7.8921 120.5495 65.3783 35.3825 179.4590 33 S 4.4653 8.7643 116.6338 61.6920 62.4201 176.8247 *34 K 3.9024 8.0245 127.7532 60.3777 31.5401 179.9192 *42 R 4.5777 8.0461 117.1020 57.4435 31.8954 183.9412 43 V 3.7671 7.8505 121.1016 66.2636 31.5705 181.1336 44 K 4.2551 8.1161 126.2762 60.4418 31.6334 181.5748 45 E 4.2607 8.2761 121.9655 61.5733 29.5578 181.6175 46 I 3.8921 7.9481 121.2807 64.9811 35.4471 179.8858 47 C 4.1957 8.1638 118.7951 62.9998 27.8220 176.0993 48 D 4.3672 7.9489 118.8017 57.0776 40.3954 178.4751 49 L 4.0674 7.3625 119.8882 57.9896 42.3511 178.8865 50 V 3.6440 7.8645 117.6551 61.8508 32.5595 176.0546 51 K 2.4800 7.7588 118.3369 55.7644 29.8959 172.8776 52 G 4.1809 6.5055 102.5568 45.0675 0.0000 171.6560 53 P 4.5769 0.0000 0.0000 63.5224 32.0834 175.4339 54 V 4.5335 8.7172 124.3219 60.9458 34.0585 174.3167 55 S 5.0515 8.7761 125.5660 58.0233 64.1766 173.5628 56 A 5.0110 9.0424 126.1679 50.0336 22.1082 174.8499 57 E 4.6648 8.7491 119.3655 55.5803 31.7958 176.4534 58 V 4.0609 7.6125 115.1279 60.6218 33.1134 177.0073 59 V 3.7462 8.2799 121.6656 65.8470 31.7304 176.9912 60 S 4.3798 7.8243 112.0584 58.2380 62.7781 173.2243 61 L 4.6909 8.2604 122.5546 54.3698 43.6669 177.3653 62 D 4.8970 7.7328 119.5632 52.5664 41.7672 176.4858 63 Y 4.1432 9.1709 123.0355 61.1851 38.8432 178.7816 64 E 3.6792 8.4573 119.3439 59.3337 29.5606 179.6792 65 G 3.5740 8.1808 105.8019 47.9358 0.0000 175.6619 66 M 4.0570 8.2020 121.4450 58.0810 32.0104 179.3011 67 V 3.4822 7.4905 119.3142 64.6081 31.4817 178.1384 68 R 3.8736 8.0080 122.1377 60.0009 29.8094 179.0216 69 E 4.0080 8.3745 117.6655 60.7622 29.6058 180.6122 70 A 4.1761 8.2177 121.4479 55.3542 18.2319 179.9307 71 R 3.8353 7.7925 115.3005 59.2605 29.9507 178.6663 72 E 4.1203 8.1068 121.4231 59.9716 29.7367 179.5294 73 L 4.0280 8.1992 122.3742 59.4558 41.0679 180.8902 74 A 4.2721 8.3708 121.6750 55.0141 18.0545 179.6209 75 Q 4.1334 7.6269 115.0064 58.5257 28.7247 178.5281 76 I 3.8522 7.5016 120.8932 63.3531 37.7117 176.0594 77 S 4.5543 6.9703 109.3237 57.3115 65.5696 176.0984 78 E 4.0052 8.6251 124.6706 59.1471 29.4978 177.9507 79 Y 4.4319 7.6144 115.5891 59.5105 38.5218 175.3567 80 V 4.3044 7.5180 120.8033 62.8018 32.2505 175.6525 81 V 4.6971 8.8929 127.3415 59.9704 34.6360 174.4671 82 I 4.6218 8.7273 125.6538 60.2472 38.5049 175.1509 83 K 4.7989 9.0719 128.1426 56.2869 33.3434 176.0791 84 I 4.7827 8.7609 126.1589 58.6547 40.4688 173.6538 85 P 4.6723 0.0000 0.0000 62.6257 32.7624 175.8319 86 M 4.6629 8.5897 123.7187 55.8751 31.0422 175.2603 87 T 4.7741 8.0265 114.2362 57.9145 72.8429 173.5973 88 P 4.2159 0.0000 0.0000 66.0650 31.1603 178.5554 89 D 4.5082 8.2235 117.0469 57.4913 40.7767 179.0305 90 G 3.7529 8.0106 107.2760 47.3565 0.0000 175.8588 91 I 3.8053 8.1959 122.5013 63.8881 37.1361 178.3401 92 K 3.8637 8.3063 120.4542 59.4154 31.9662 178.6713 93 A 4.2396 8.5856 121.3588 55.2531 18.2881 179.7590 94 V 3.5481 7.9084 116.7859 65.9133 31.4725 178.0103 95 K 4.1230 8.0249 120.6598 59.3289 31.6014 178.9119 96 T 3.9539 7.9712 115.7336 66.7231 68.3731 176.8958 97 L 4.0378 8.5999 121.2446 57.7532 41.5476 179.6409 98 S 4.0936 8.5610 115.3898 61.7205 62.6213 176.7180 99 A 4.0308 7.6403 121.8748 54.5258 18.0982 178.4390 100 E 4.4502 7.5814 114.5324 55.6936 29.7622 176.8205 101 G 3.8693 7.9344 106.9236 46.0981 0.0000 173.3099 102 I 4.3675 7.7143 120.6160 59.4455 38.2790 176.0479 103 K 4.4518 8.6977 126.9867 56.5084 33.5662 176.0981 104 T 5.1826 8.7775 113.3291 60.0024 72.7602 172.6216 105 N 5.1374 9.4926 121.7907 51.9241 41.8258 173.1076 106 V 4.3924 8.9558 128.1439 62.8415 32.9417 175.0285 107 T 4.8369 9.0011 122.4422 59.5906 71.0395 172.9637 108 L 2.6236 7.4197 120.0705 55.3071 39.0620 175.4540 109 V 4.2688 6.5809 116.9512 61.5123 32.6640 175.5129 110 F 4.8238 9.3576 124.5077 56.5920 40.6142 175.4533 111 S 4.7640 7.6784 115.2382 55.3103 67.2041 173.0067 112 P 4.2703 0.0000 0.0000 65.4637 30.9653 178.8779 113 A 4.0096 8.0090 119.3373 55.3583 18.3836 179.4254 114 Q 3.9348 8.0086 115.8727 59.2260 28.9515 179.1280 115 A 4.0979 7.8910 121.3425 54.9681 18.2172 179.8652 116 I 3.5884 7.8649 118.5699 64.6110 37.2155 178.5124 117 L 3.8672 7.6694 119.4967 57.5841 41.4087 179.2860 118 A 3.9387 8.0854 120.4199 55.2754 18.3380 179.5602 119 A 4.1909 7.5104 119.8574 54.7612 18.0777 180.0502 120 K 3.7497 7.6284 115.7810 59.3181 31.9212 179.0540 121 A 4.1912 8.1159 120.4892 53.1316 18.0283 178.6876 122 G 3.8630 7.6533 105.6222 45.1983 0.0000 173.8297 123 A 4.5984 7.4080 121.2404 51.9092 19.1030 179.0401 124 T 3.9991 8.5724 118.1283 66.2308 69.7024 174.2598 125 Y 5.5452 8.6374 117.6367 56.1071 42.8783 175.0249 126 V 4.8849 9.0116 120.4696 60.3369 35.3709 174.8452 127 S 5.6809 9.0266 119.3294 55.0159 64.4926 170.7103 128 P 4.5043 0.0000 0.0000 62.4537 32.5919 175.6538 129 F 4.8453 8.5244 123.8506 56.4893 38.3010 177.0698 130 V 3.6737 8.8411 123.4267 65.8835 31.7786 177.6776 131 G 3.7281 8.1751 105.4916 48.0491 0.0000 175.7670 132 R 4.1346 7.8584 118.9943 59.3301 30.2911 178.7581 133 M 4.3357 8.1147 118.3747 58.3931 31.8943 178.2471 134 D 4.4519 8.4208 119.3117 57.8056 40.8841 178.6432 135 D 4.4884 7.8986 116.5340 56.2144 40.0343 177.8680 136 L 4.2228 7.7794 118.7739 54.6266 41.5059 177.5322 137 S 4.0484 7.8891 113.9663 59.7924 60.8325 172.0871 138 N 4.6160 7.6363 115.2564 52.4247 38.4489 172.9793 139 D 4.3163 8.0961 123.2556 54.2593 38.8764 174.0622 140 G 3.6423 9.4079 113.1694 47.5677 0.0000 172.8377 141 M 4.1107 8.2207 120.5327 58.1054 32.0235 178.6433 142 R 3.9372 8.1698 118.9031 59.4807 30.3998 178.4715 143 M 4.1059 7.8530 117.0176 58.1965 31.2033 178.3491 144 L 3.9960 8.1356 121.6183 57.8680 42.2568 179.1725 145 G 3.6214 8.2211 105.6806 47.8120 0.0000 175.5599 146 E 4.0555 8.0904 120.7906 59.1856 29.3919 179.4809 147 I 3.6475 7.6428 119.6731 64.1555 37.0815 178.3753 148 V 3.5397 7.7644 119.2046 66.1176 31.3094 177.5305 149 E 3.9366 8.1340 118.7623 59.5413 29.2723 178.9658 150 I 3.9058 7.9518 119.7159 64.7156 37.2452 178.0953 151 Y 4.4905 8.8203 118.1086 61.2227 37.4399 178.3311 152 N 4.4031 8.5461 117.2351 56.3671 38.7158 176.7877 153 N 4.2180 7.9282 116.9783 55.5390 37.7079 175.8957 154 Y 4.5169 7.4162 115.0406 55.9669 39.2915 175.7990 155 G 4.1449 8.0633 107.9359 45.8365 0.0000 174.1938 156 F 4.3728 6.9434 117.0171 57.3725 39.5169 176.3717 157 E 4.1013 8.8462 124.1469 59.4201 29.8728 177.9346 158 T 4.1576 7.8483 115.2106 64.4953 69.5839 173.0622 159 E 5.1606 9.0652 125.1363 55.0418 32.4756 174.9999 160 I 4.6611 9.1736 124.6794 60.2706 39.2658 174.9464 161 I 4.6319 8.9555 129.4102 59.3469 38.4944 175.1134 162 A 4.1183 8.9239 130.8224 52.4094 19.4017 176.1435 163 A 4.5791 8.5365 123.9962 49.7291 23.1943 175.2229 164 S 3.4901 7.6882 109.1358 59.3488 60.6685 171.8749 165 I 4.4752 7.4647 118.9419 60.5458 38.1361 176.4630 166 R 4.5701 8.4074 122.4412 56.4353 32.5037 174.9050 167 H 4.7545 7.3239 111.2954 52.5986 31.2064 172.5820 168 P 4.2247 0.0000 0.0000 66.2307 30.9214 178.9028 169 M 4.1680 8.1334 116.8414 58.3308 31.8920 178.2158 170 H 4.2142 7.9205 116.9106 58.9049 28.8739 177.9061 171 V 3.5536 7.5853 119.3740 66.0014 31.4540 178.1387 172 V 3.5770 7.8539 117.9840 66.0482 31.4600 177.8948 173 E 3.9541 8.6439 118.6188 59.2880 29.2320 179.1992 174 A 3.9679 8.1956 120.7065 55.0367 18.5224 179.5882 175 A 3.9147 8.1602 119.3765 55.2779 18.2245 179.9072 176 L 3.9997 7.9569 116.9827 57.6352 41.7780 178.8058 177 M 4.3221 7.9160 114.7540 55.2150 31.8151 176.3478 178 G 3.7436 7.7721 107.4882 46.2219 0.0000 174.2294 179 V 3.7251 7.5801 118.4676 62.7063 32.5266 175.5987 180 D 4.6248 8.8003 125.5405 57.1706 41.8028 176.3582 181 I 4.9748 8.0570 117.7921 59.3968 42.1081 174.4511 182 V 4.6023 8.5499 125.3407 61.3154 34.1291 173.8844 183 T 5.2672 8.4805 123.1367 60.6656 68.9576 173.2968 184 M 5.0166 8.9245 124.7097 52.9609 35.5163 173.0036 185 P 4.7278 0.0000 0.0000 62.2966 32.4924 177.4071 186 F 4.3958 9.0962 122.2139 61.7067 39.0094 177.2892 187 A 4.2155 8.1440 121.1676 54.5752 17.8815 179.6856 188 V 3.5298 7.6482 115.5199 65.8198 32.1171 177.4214 189 L 4.0905 7.6819 119.6983 58.3307 41.7167 178.6384 190 E 3.7482 8.0965 118.6580 59.5815 29.3835 179.6210 191 K 3.9426 7.7420 118.0268 59.4655 31.8304 179.2862 192 L 3.9518 7.5509 118.2631 57.8013 41.5098 179.3052 193 F 3.9121 7.8963 117.0825 58.8356 39.2035 175.9006 194 K 4.4719 7.4127 117.3788 55.8917 33.4436 176.2220 195 H 4.6823 8.2384 119.8656 53.3448 33.9464 172.9644 196 P 4.2862 0.0000 0.0000 66.3204 31.0814 178.6796 197 M 4.1870 8.2510 117.8872 58.0790 31.9806 178.5990 198 T 3.8587 7.9561 115.7681 66.7584 68.7016 176.1091 199 D 4.3810 7.9689 120.2271 57.4329 40.7852 178.9439 200 L 4.4639 7.5873 120.9803 57.0848 41.3704 179.6536 201 G 3.6531 8.1096 105.0912 47.9387 0.0000 175.4736 202 I 3.8916 7.6517 121.1324 64.1578 37.2943 178.0682 203 E 4.1762 8.3614 121.9255 59.9530 29.0819 178.1020 204 R 4.2646 8.0506 124.1237 58.6327 29.6515 178.1478 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 0 H 8.44 4.68 0.00 3.15 3.33 0.00 5.69 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 8.54 4.19 0.00 2.08 1.94 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.58 0.00 2 K 9.42 5.39 0.00 1.41 1.72 0.00 1.92 0.00 0.00 1.98 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.42 7.81 3 I 8.49 4.85 2.18 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 1.33 0.66 1.00 0.00 0.00 4 F 8.94 5.61 0.00 2.87 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 5 L 8.46 5.10 0.00 1.65 1.63 0.99 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 6 D 9.22 5.16 0.00 2.54 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 7 T 8.15 4.42 4.26 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 0.00 0.00 0.00 1.17 0.00 0.00 8 A 8.55 4.58 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 N 8.75 4.57 0.00 2.65 2.57 0.00 0.00 7.31 6.70 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 *10 L 8.54 4.21 0.00 1.69 1.66 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 *11 E 8.41 4.17 0.00 1.96 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 2.24 2.22 0.00 12 E 8.05 3.12 0.00 1.73 1.12 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 1.66 2.26 0.00 13 I 7.49 3.69 1.88 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 1.30 0.72 0.81 0.00 0.00 14 K 8.12 3.83 0.00 1.74 1.82 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.36 7.81 15 K 7.94 3.47 0.00 1.49 0.74 0.00 1.60 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.04 1.18 7.81 16 G 7.86 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 17 V 8.05 3.77 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 0.95 0.00 0.00 1.01 0.00 0.00 *18 E 8.40 3.99 0.00 2.06 1.87 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 2.27 2.24 0.00 19 W 8.29 4.95 0.00 3.72 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 20 G 8.13 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 21 I 7.98 4.46 1.94 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 1.73 1.07 1.01 0.00 0.00 22 V 7.93 4.55 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 0.96 0.00 0.00 1.15 0.00 0.00 23 D 9.20 4.82 0.00 2.90 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 24 G 7.55 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 V 7.71 4.95 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 0.96 0.00 0.00 0.82 0.00 0.00 26 T 9.16 4.84 4.42 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 1.22 0.00 0.00 27 T 8.34 5.04 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 28 N 8.54 5.24 0.00 3.01 2.97 0.00 0.00 6.49 7.76 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 29 P 0.00 4.53 0.00 2.29 2.36 0.00 3.87 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.07 0.00 30 T 8.23 4.04 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 1.23 0.00 0.00 31 L 9.86 4.04 0.00 1.75 1.58 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 *32 I 7.89 4.04 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 1.41 1.09 0.91 0.00 0.00 33 S 8.76 4.47 0.00 3.97 3.92 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 *34 K 8.02 3.90 0.00 1.89 1.77 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.41 1.37 7.81 *42 R 8.05 4.58 0.00 1.76 2.01 0.00 3.22 0.00 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1.68 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 118 A 8.09 3.94 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 A 7.51 4.19 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 K 7.63 3.75 0.00 1.71 1.78 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.12 1.45 7.81 121 A 8.12 4.19 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 G 7.65 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 0.00 123 A 7.41 4.60 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 T 8.57 4.00 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 125 Y 8.64 5.55 0.00 2.94 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 0.00 126 V 9.01 4.88 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 1.03 0.00 0.00 127 S 9.03 5.68 0.00 3.91 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 0.00 128 P 0.00 4.50 0.00 2.01 1.88 0.00 3.75 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 129 F 8.52 4.85 0.00 2.14 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 0.00 130 V 8.84 3.67 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 0.85 0.00 0.00 0.91 0.00 0.00 131 G 8.18 3.73 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 0.00 0.00 0.00 132 R 7.86 4.13 0.00 2.27 2.30 0.00 3.84 0.00 0.00 3.48 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.92 0.00 133 M 8.11 4.34 0.00 2.12 2.36 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 3.20 0.00 134 D 8.42 4.45 0.00 2.93 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 D 7.90 4.49 0.00 2.72 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 0.00 136 L 7.78 4.22 0.00 1.84 1.82 0.91 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 137 S 7.89 4.05 0.00 4.02 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 0.00 138 N 7.64 4.62 0.00 2.90 2.86 0.00 0.00 6.80 7.94 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 0.00 139 D 8.10 4.32 0.00 2.86 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 0.00 140 G 9.41 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 0.00 141 M 8.22 4.11 0.00 2.04 2.26 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.51 0.00 142 R 8.17 3.94 0.00 2.10 2.06 0.00 3.11 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 143 M 7.85 4.11 0.00 2.29 2.33 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.57 0.00 144 L 8.14 4.00 0.00 1.75 1.83 0.85 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 145 G 8.22 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 E 8.09 4.06 0.00 2.23 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 2.35 2.48 0.00 147 I 7.64 3.65 1.83 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 1.32 0.78 0.27 0.00 0.00 148 V 7.76 3.54 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.94 0.00 0.00 149 E 8.13 3.94 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 150 I 7.95 3.91 2.14 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 1.72 0.70 1.43 0.00 0.00 151 Y 8.82 4.49 0.00 3.12 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 0.00 152 N 8.55 4.40 0.00 2.81 2.87 0.00 0.00 7.06 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 0.00 153 N 7.93 4.22 0.00 2.52 1.82 0.00 0.00 6.87 7.35 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 0.00 154 Y 7.42 4.52 0.00 1.83 1.69 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 0.00 155 G 8.06 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 0.00 156 F 6.94 4.37 0.00 2.68 2.46 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 0.00 157 E 8.85 4.10 0.00 1.92 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 2.32 2.40 0.00 158 T 7.85 4.16 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 1.34 0.00 0.00 159 E 9.07 5.16 0.00 2.01 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 2.30 2.21 0.00 160 I 9.17 4.66 1.86 0.00 0.00 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 0.93 1.21 0.81 0.00 0.00 161 I 8.96 4.63 1.99 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 0.96 1.19 0.86 0.00 0.00 162 A 8.92 4.12 1.22 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 0.00 163 A 8.54 4.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 S 7.69 3.49 0.00 3.61 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 0.00 165 I 7.46 4.48 1.93 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.99 0.90 0.00 0.00 166 R 8.41 4.57 0.00 1.76 1.95 0.00 3.43 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.59 0.00 167 H 7.32 4.75 0.00 3.26 3.32 0.00 5.67 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 0.00 168 P 0.00 4.22 0.00 2.17 2.13 0.00 3.61 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 2.10 2.17 0.00 169 M 8.13 4.17 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.57 0.00 170 H 7.92 4.21 0.00 3.20 3.25 0.00 5.62 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 V 7.59 3.55 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.96 0.00 0.00 172 V 7.85 3.58 2.08 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 0.96 0.00 0.00 0.93 0.00 0.00 173 E 8.64 3.95 0.00 2.13 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 2.34 2.50 0.00 174 A 8.20 3.97 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 0.00 175 A 8.16 3.91 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 0.00 176 L 7.96 4.00 0.00 1.79 1.73 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 177 M 7.92 4.32 0.00 2.19 2.17 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 2.55 2.70 0.00 178 G 7.77 3.74 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 0.00 0.00 0.00 179 V 7.58 3.73 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 0.85 0.00 0.00 0.94 0.00 0.00 180 D 8.80 4.62 0.00 2.86 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 0.00 181 I 8.06 4.97 1.72 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.68 -0.17 0.00 0.00 182 V 8.55 4.60 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 0.91 0.00 0.00 0.87 0.00 0.00 183 T 8.48 5.27 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 1.29 0.00 0.00 184 M 8.92 5.02 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.72 0.00 185 P 0.00 4.73 0.00 2.25 2.06 0.00 3.62 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.08 0.00 186 F 9.10 4.40 0.00 3.30 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 0.00 187 A 8.14 4.22 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 0.00 188 V 7.65 3.53 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.97 0.00 0.00 189 L 7.68 4.09 0.00 1.93 1.81 1.05 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 190 E 8.10 3.75 0.00 2.00 1.81 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 1.79 1.64 0.00 191 K 7.74 3.94 0.00 1.96 1.84 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.62 7.81 192 L 7.55 3.95 0.00 1.61 1.55 0.85 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 193 F 7.90 3.91 0.00 2.91 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 0.00 194 K 7.41 4.47 0.00 1.89 1.72 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.43 1.37 7.81 195 H 8.24 4.68 0.00 3.14 3.07 0.00 5.68 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 P 0.00 4.29 0.00 2.27 2.24 0.00 3.09 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.93 0.00 197 M 8.25 4.19 0.00 2.06 2.21 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 2.74 2.64 0.00 198 T 7.96 3.86 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 199 D 7.97 4.38 0.00 2.89 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 0.00 200 L 7.59 4.46 0.00 1.71 1.72 0.99 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 201 G 8.11 3.65 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 0.00 0.00 0.00 202 I 7.65 3.89 2.03 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 1.53 0.66 0.92 0.00 0.00 203 E 8.36 4.18 0.00 2.16 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 2.33 2.46 0.00 204 R 8.05 4.26 0.00 1.91 1.70 0.00 3.30 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 1.58 1.51 0.00 * Residues marked with a * may have inaccurate shift predictions.