NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 L 4.3589 8.1849 120.6389 54.3298 43.0886 176.4229 5 T 3.7448 8.4873 119.6994 62.7867 68.7948 171.8300 6 P 4.6967 0.0000 0.0000 63.1319 33.0941 175.5639 7 R 4.8836 9.0005 120.6120 54.6000 35.0148 173.8309 8 C 5.1155 9.2168 122.4734 57.9037 33.6162 172.7420 9 I 4.6820 8.7459 129.2039 60.0120 37.6848 175.4125 10 I 4.2345 8.2727 122.0950 59.4920 39.8076 175.0416 11 V 4.5687 8.5370 125.3415 60.9004 34.6764 174.2218 12 R 4.6833 8.7362 128.7870 55.4425 31.4596 175.2759 13 A 4.2685 8.7381 127.6678 52.4807 19.7195 177.8193 14 G 4.0624 8.4334 108.2428 45.5158 0.0000 173.0523 15 Q 4.2823 9.2407 121.0327 56.4901 29.6598 175.4197 16 T 5.0240 8.8620 114.3125 59.1189 73.4016 174.8410 17 E 4.0759 8.6865 119.5777 59.6278 29.2953 179.7457 18 W 4.6011 8.2449 118.6214 59.6611 28.9113 178.7565 19 S 4.2891 8.4463 114.7486 61.2803 62.3247 176.7017 20 K 4.1591 8.2167 121.9558 59.1234 32.5352 178.4252 21 S 4.5722 7.7683 111.4900 58.0331 63.5182 174.9596 22 G 3.9498 7.6221 109.6567 45.6803 0.0000 173.2723 23 Q 4.2997 8.1028 118.6566 55.0027 30.0004 175.4691 24 Y 4.1987 8.5336 121.1425 58.2528 38.9862 174.5557 25 T 5.2546 9.0740 122.2501 63.8770 69.9474 173.2162 26 G 3.8209 10.3630 115.8684 45.9571 0.0000 173.7817 27 L 4.0943 9.1121 124.0615 57.1247 42.9141 177.5575 28 T 3.7617 8.1937 115.2663 64.0426 68.8800 174.6266 29 D 4.6232 8.3346 130.4799 53.1672 40.1102 176.2074 30 L 3.9413 7.1760 120.3308 54.1586 42.7308 176.0712 31 P 4.7566 0.0000 0.0000 61.2740 32.8394 175.5859 32 L 4.3164 8.5731 119.4838 54.5100 42.2039 177.8518 33 T 4.1349 8.3500 113.0676 60.9756 69.4729 173.2720 34 P 4.2752 0.0000 0.0000 66.1558 31.1664 178.3016 35 Y 4.1109 8.1669 117.8522 60.6661 38.5987 178.1472 36 G 3.7861 8.2375 105.7611 47.6331 0.0000 175.3960 37 E 4.2020 7.9368 119.7210 59.3050 29.9009 179.0557 38 G 3.8135 7.6914 105.4440 47.8562 0.0000 175.7439 39 Q 3.7306 7.8553 118.3580 56.5887 28.6927 177.6428 *41 L 4.2693 7.8070 119.6437 54.5472 43.6834 179.5244 42 R 4.1529 7.9336 117.3148 59.2878 29.8180 179.3609 43 T 3.9674 7.9737 115.9469 66.6281 68.4779 176.9557 44 G 3.8330 8.0034 108.4685 47.2587 0.0000 175.4531 45 E 4.0314 8.2354 120.8360 59.1481 29.4869 179.1437 46 S 4.0072 8.2274 113.2980 61.8001 62.5018 176.8342 47 V 3.5729 7.8973 114.6998 63.5952 31.0130 178.1243 48 F 4.6666 7.8596 116.1717 58.9480 39.6983 176.0732 49 R 4.2808 8.3379 116.1760 57.3655 31.3115 177.1217 50 N 4.3701 8.3131 120.4205 55.7919 39.4211 174.9740 51 N 4.7494 7.5757 113.3238 51.4215 41.7728 174.5916 52 Q 4.6857 7.5697 116.0056 54.6622 28.8572 175.9119 53 F 4.6154 7.5066 118.0155 59.3803 39.8911 176.4075 54 L 4.7224 7.7286 119.3990 52.6212 44.2308 175.2009 55 N 4.9582 8.5682 121.1238 51.1815 40.2574 173.3795 56 P 4.3701 0.0000 0.0000 65.8582 31.6376 178.3846 57 D 4.4031 8.3374 116.4574 57.0163 41.0006 176.9819 58 N 4.6722 8.3110 115.0411 53.6431 39.2080 174.7001 59 I 4.6430 7.7464 120.8748 61.2089 38.1303 174.7081 60 T 4.4285 8.8524 114.9132 63.1145 70.7618 173.9688 61 Y 5.0904 8.0731 119.6755 55.3133 42.2206 174.3081 62 I 4.8979 9.0339 123.3530 59.7334 40.4549 174.3966 63 F 5.1557 9.0845 125.8070 56.1852 41.3744 174.8345 64 T 5.2734 8.7303 116.8007 59.9787 70.8809 173.0804 65 S 4.8357 9.0440 123.3352 58.2237 62.7028 172.7851 66 P 4.4810 0.0000 0.0000 64.3556 31.9464 177.6321 67 R 4.1655 8.0168 119.8860 56.1189 31.5890 176.7749 68 L 3.9552 9.3367 125.8301 58.5102 42.1445 179.6611 69 R 3.8993 8.1422 115.0965 59.4511 29.1401 178.4919 70 A 4.0563 7.9906 120.7445 55.1087 18.5748 179.7379 71 R 3.8280 8.1444 116.6398 59.3403 30.1287 179.1904 72 Q 4.0125 8.9290 118.7617 59.4164 28.7036 179.2164 73 T 4.0012 7.7536 116.2822 66.3505 68.5214 177.0020 74 V 2.6315 7.5778 120.2562 65.5981 31.2250 177.3859 75 D 4.2314 7.6687 116.2509 57.5196 41.2428 178.1198 76 L 4.1387 7.9322 119.2212 57.8638 41.1830 179.6699 77 V 3.7912 8.0233 118.1286 65.4914 31.4918 177.0173 78 L 4.5085 7.9105 116.5610 54.4029 41.5925 178.2805 79 K 3.8354 7.4886 119.6167 59.2623 32.2196 176.2458 80 P 4.3546 0.0000 0.0000 64.4724 31.5737 176.8962 81 L 4.1451 7.2164 118.4401 54.1657 42.2693 177.4528 82 S 4.4813 8.5941 116.9123 57.7730 65.6316 175.2735 83 D 4.3477 8.4144 121.5564 57.0712 40.2319 178.7650 84 E 3.8493 7.9492 118.9214 59.4372 29.7080 178.2540 85 Q 4.0894 7.7473 117.8402 59.1450 28.7373 179.2160 86 R 3.9059 8.0185 118.7683 59.1547 29.8383 178.9813 87 A 4.0405 7.7806 119.5105 54.3402 18.3620 178.7632 88 K 4.3545 7.3002 113.4294 55.3260 32.6080 176.0601 89 I 4.5789 7.0418 120.7615 59.4755 39.7159 175.1724 90 R 4.3508 8.3430 126.0668 54.7178 31.9082 175.4017 91 V 4.6292 8.2166 123.2865 61.0094 33.9267 174.7587 92 V 4.3180 8.4501 127.3007 60.9301 34.3552 174.4289 93 V 4.3062 8.5883 128.9586 62.6753 32.3344 174.4975 94 D 5.1986 9.2195 128.4456 52.5416 43.3635 176.1966 95 D 4.4891 9.4376 126.8217 57.0515 41.5129 177.5711 96 D 4.5505 8.4123 117.9222 56.2226 40.7641 176.7543 97 L 4.5603 7.5725 118.1862 54.1055 42.0836 176.6926 98 R 4.2165 7.5338 115.6509 55.6214 29.9129 176.0171 99 E 4.1698 8.3443 119.1459 55.0859 30.2711 175.9325 100 W 3.9888 8.9509 132.2903 57.8152 30.9981 175.5732 101 E 4.0819 9.5241 125.9729 56.4378 28.7199 177.3659 102 Y 4.5288 8.5664 122.8627 58.6562 40.0805 178.1736 103 G 3.8865 7.9359 107.2764 45.4006 0.0000 177.2452 104 D 4.2981 8.1315 125.5366 56.7411 40.5330 176.4396 105 Y 4.5355 7.2238 114.7875 57.4248 38.0678 175.2286 106 E 3.9806 7.8726 122.0122 58.0065 30.4314 176.6891 107 G 2.0283 8.6679 114.8625 45.9275 0.0000 173.3380 *109 L 4.0670 7.2032 117.4833 54.2218 44.6340 177.5268 110 T 3.8007 8.4842 118.1375 67.2561 68.5635 176.6422 111 R 3.8580 8.0034 116.9308 59.6759 29.2169 178.4735 112 E 3.8520 7.8943 118.5253 58.8309 29.4293 179.0384 113 I 2.9735 7.6673 120.2541 64.2586 37.0564 178.1988 114 I 3.4773 7.5640 120.6974 64.6318 36.9581 178.0772 115 E 3.8527 7.9044 119.5810 58.9589 29.3650 178.6607 116 L 3.8200 7.6200 120.4239 58.1823 42.1847 179.1525 117 R 3.8122 7.8511 118.2574 58.9572 29.9124 178.8733 118 K 3.8842 8.0581 119.6984 59.6173 31.9920 179.0429 119 S 4.2064 7.7976 112.9891 60.9316 62.9969 175.6312 120 R 4.3333 7.4744 119.1976 55.6619 30.0331 176.5538 121 G 3.7814 7.8918 106.9043 46.4301 0.0000 173.5951 122 L 4.6092 7.7987 119.0739 53.0438 44.0913 175.9391 123 D 4.6905 8.5802 115.0392 54.7606 38.2639 176.3489 124 K 4.1398 7.6190 116.0947 59.7923 32.2623 178.7976 125 E 4.2699 8.1788 116.4762 58.4086 29.6300 177.0919 126 R 4.7343 7.5160 113.0367 53.4394 32.4405 172.5921 127 P 4.3814 0.0000 0.0000 62.1908 31.8874 175.9829 128 W 4.4583 8.6971 129.8070 58.2533 31.2003 175.9560 129 N 4.2655 8.7605 122.4880 50.9070 40.7809 174.5334 130 I 3.1587 6.8758 128.7747 63.9043 37.6158 177.3803 131 W 4.8819 7.7048 117.9737 58.8303 28.8694 177.4569 132 R 4.5251 8.1630 117.0411 57.7965 30.7641 176.8003 133 D 4.8377 8.7470 117.0007 55.3351 42.1690 178.3097 134 G 4.2775 8.9322 108.0025 45.5813 0.0000 171.8664 135 C 5.0155 8.4211 116.2168 57.4684 31.3696 173.4509 136 E 3.9767 8.6193 123.3142 58.3244 29.6703 177.1013 137 N 4.3970 9.0969 118.3372 53.8087 36.9444 173.5833 138 G 4.5887 7.9125 106.8037 45.1561 0.0000 172.7454 139 E 4.8479 9.1172 120.6641 56.2089 30.9528 177.2085 140 T 4.8655 8.8998 113.9995 61.2834 70.6312 175.5718 141 T 3.9730 8.8420 115.1891 64.8342 67.2282 175.9365 142 Q 4.1713 8.0537 119.5552 59.0327 28.8559 178.0107 143 Q 3.8103 7.7390 120.1063 58.7489 28.7655 178.7736 144 I 3.3600 7.0162 119.3071 63.7892 37.9894 178.1187 145 G 3.6575 7.5919 106.5474 47.4707 0.0000 175.5295 146 L 3.5468 8.0628 123.0574 57.9915 42.0420 179.3011 147 R 3.9119 7.5009 116.0300 59.1938 29.2722 178.7697 148 L 4.1065 7.9914 119.7752 57.4831 41.6062 179.3063 149 S 4.0689 7.9541 114.9707 61.7234 62.8337 176.9276 150 R 3.7716 7.9572 120.1988 59.3176 29.7741 178.9238 151 A 3.8645 7.7474 120.0668 55.1514 18.3445 179.7475 152 I 3.6437 7.9614 118.1191 64.4823 37.1942 178.5115 153 A 3.8821 7.9511 121.5627 55.1931 18.1682 179.8829 154 R 3.7458 7.8422 116.5092 59.2716 29.9966 179.4792 155 I 3.5243 7.8225 119.7682 64.5592 37.1577 178.5935 156 Q 4.2454 8.4661 120.6049 58.2094 28.3644 178.3883 157 N 4.2064 8.1502 118.1801 56.5989 38.9742 176.6766 158 L 3.8163 7.6616 120.2850 58.2421 41.6556 179.0683 159 H 4.3054 8.2952 115.9640 59.1862 28.7427 177.7800 160 R 3.7809 8.1264 120.1981 59.2574 29.9692 178.3009 161 K 3.9186 8.2023 119.6006 59.9525 32.1460 178.4894 162 H 4.4129 8.4647 116.5351 58.8366 28.7244 177.4886 163 Q 4.0782 8.4609 121.9587 59.2508 28.6560 178.5477 164 S 4.2661 8.0496 114.2101 60.9802 63.2497 175.4034 165 E 4.3438 7.9786 119.8300 56.0159 29.2912 177.0202 166 G 3.9365 7.8866 107.3380 46.0699 0.0000 173.5633 167 R 4.8183 8.2143 115.1383 53.3646 31.8396 175.6897 168 A 4.1233 8.6244 122.4683 53.0863 19.4431 177.7218 169 S 4.5622 8.6095 115.5314 57.2850 65.1145 171.6065 170 D 5.3423 9.6539 128.0090 53.5075 42.4871 176.1500 171 I 5.7115 8.7100 125.0932 58.5853 41.5169 174.0598 *173 V 4.4384 8.1050 121.3721 63.5806 32.7552 174.6467 174 F 5.1749 9.4966 127.7796 54.8964 40.9445 173.3279 175 A 4.7700 8.7268 130.5042 51.6154 25.2392 177.0187 176 H 5.2179 8.9289 115.5233 55.9437 33.0044 174.2867 177 G 3.8444 9.0735 109.6809 49.6384 0.0000 175.8559 178 H 4.5464 9.1722 117.9710 58.5977 28.7936 177.7346 179 A 4.2082 8.5823 122.0845 55.4247 18.1067 179.4400 180 L 4.2604 8.4373 117.3374 57.6377 41.7902 179.8001 181 R 4.2586 8.0888 116.9581 59.4136 30.0797 178.3313 182 Y 4.1819 8.9354 119.4937 60.8293 38.9298 177.5188 183 F 4.2310 9.1704 121.8641 61.7617 39.5783 177.0692 184 A 4.2376 8.9492 120.1578 55.0815 18.1811 179.3694 185 A 4.2443 8.5998 119.6063 55.5560 18.6621 179.9945 186 I 3.6476 8.0025 111.5821 63.3425 37.5285 177.7988 187 W 4.1320 7.8747 130.0510 59.9208 30.4956 176.5809 188 F 4.9575 7.6197 109.0685 56.7691 37.5388 175.9753 189 G 3.9756 7.5292 108.7964 45.7831 0.0000 174.3873 190 L 3.9265 7.0992 119.4547 54.8623 42.6034 178.4727 191 G 3.7127 8.2630 106.9331 44.8763 0.0000 172.8887 192 V 4.4166 7.9368 111.9882 59.3328 35.4005 175.0184 193 Q 4.4997 8.4380 125.0175 55.5571 30.0056 174.8481 194 K 4.5219 8.5945 127.1840 54.1545 35.5019 175.5387 195 K 4.5502 8.6428 126.3332 56.6474 33.0857 176.5803 196 C 4.5233 9.0529 122.4520 59.8709 27.7737 172.9095 197 E 4.4341 9.5912 122.7977 57.4381 31.8941 177.4754 198 T 4.3084 7.8958 108.4671 60.8026 71.3778 175.4402 199 I 3.6675 8.1017 120.7708 64.6187 36.8885 178.3219 200 E 3.9497 8.1263 117.5383 59.6799 29.4316 179.0290 201 E 3.9730 7.8214 116.0195 58.2564 29.5675 177.7110 202 I 4.3744 6.9190 117.8355 61.5117 39.3341 176.3677 203 Q 4.1106 7.8024 117.9743 55.6409 29.0182 175.2869 204 N 4.6063 8.4426 118.5501 52.9214 39.2380 175.1477 205 V 3.9565 8.3811 118.1162 60.5340 33.1724 175.5570 206 K 3.6218 7.9462 118.9332 57.2937 29.1806 175.7091 207 S 4.4879 7.6893 113.7812 59.5889 64.4333 174.1075 208 Y 5.3375 7.5287 117.2667 55.4075 40.8757 174.7456 209 D 4.4106 8.4847 119.1679 52.1545 41.8955 172.4438 210 D 4.7077 8.2675 121.9707 52.3738 43.7952 175.5998 211 D 4.6824 8.9261 126.7909 56.3733 41.0790 177.1892 212 T 4.2036 8.4523 108.6609 62.1928 69.3584 174.9398 213 V 4.1026 7.5571 122.4342 60.3425 31.0982 173.2848 214 P 4.4032 0.0000 0.0000 62.6615 31.7705 176.0614 215 Y 4.2376 8.8515 124.3834 57.3998 39.3970 174.2993 216 V 4.1077 7.3915 126.7128 60.6434 32.3312 175.2978 217 K 4.1149 8.3875 127.9533 55.8397 31.8322 177.1486 218 L 4.1926 8.2357 124.7845 54.6920 42.5427 177.1850 219 E 4.3797 8.7490 121.6118 57.8272 30.4381 176.0684 220 S 5.2751 7.6784 110.8143 56.8643 66.4737 172.8340 221 Y 4.9881 8.9902 118.4226 55.5829 41.7769 173.9473 222 R 5.1872 8.4590 118.6711 54.9313 32.4866 175.4739 223 H 5.3894 8.6196 116.7890 54.1990 32.5017 172.6885 224 L 4.5829 9.2050 120.0756 54.3301 42.4998 177.4806 225 V 4.4450 7.9343 112.4508 61.1464 32.7528 174.4920 226 D 4.5168 7.4359 117.7997 52.8933 43.8528 173.9823 227 N 3.1400 8.3412 121.0567 52.4828 39.0434 173.0546 228 P 3.6614 0.0000 0.0000 63.4054 32.2544 175.2556 229 C 3.4782 7.9224 115.4472 60.8200 24.9566 172.7081 230 F 5.3717 7.5576 116.5277 55.7817 41.5893 175.6969 231 L 4.7405 8.2188 122.8353 53.1292 43.7299 176.6945 232 L 4.1696 8.0584 123.9338 54.3966 43.2003 174.5365 233 D 4.5441 8.6073 126.3172 53.3323 41.6407 175.7827 234 A 4.1112 8.4886 122.8599 54.0707 18.4142 178.2299 235 G 4.2663 8.9263 110.8976 45.6057 0.0000 173.9862 236 G 3.8535 8.2781 107.7582 45.9665 0.0000 173.1608 237 I 5.0141 8.2078 121.8669 59.1990 39.9578 175.2642 238 G 4.0904 8.9769 114.2245 44.2876 0.0000 172.0080 239 V 4.7282 7.8162 118.7867 60.8039 34.9047 173.8850 240 L 4.7590 8.6281 127.7869 52.7427 44.2200 174.5690 241 S 4.2732 9.0430 120.7487 57.5442 66.2288 172.0762 242 Y 5.4114 8.5319 113.4116 56.0892 42.5358 174.4093 243 A 4.2042 9.2812 124.9184 52.1825 20.2987 177.3545 244 H 4.2188 9.0626 116.5309 58.2653 26.3890 174.3082 245 H 3.9938 8.3830 109.3384 56.8148 26.7134 174.8002 246 N 4.8434 7.9072 116.9817 51.5427 40.4270 174.7138 247 I 2.8775 8.2667 127.4432 64.1720 37.2256 176.8715 248 D 4.6068 8.3575 117.7377 55.0801 41.4471 176.1564 249 E 4.9887 8.4004 119.4586 54.4052 28.8968 174.1399 250 P 4.9120 0.0000 0.0000 62.9943 32.7321 177.4992 251 A 4.9152 9.5543 124.1848 50.0694 23.1340 174.4896 252 L 4.1949 8.0831 122.0223 54.2106 43.2290 175.7843 253 E 4.1431 8.5451 127.9540 55.2704 29.8039 177.2582 254 L 3.7961 8.5645 127.8072 57.4539 42.1751 177.9430 255 A 4.2625 8.4248 120.2648 51.3976 19.4588 178.3747 256 G 3.5274 7.0690 107.0416 46.6249 0.0000 173.9551 257 P 4.2876 0.0000 0.0000 62.8237 31.8024 176.2424 258 F 3.2418 7.6615 122.9408 58.0953 39.6568 174.6063 259 V 4.2711 6.8754 119.9212 58.9213 35.4659 175.4032 260 S 4.0714 8.2213 117.4092 57.3560 63.5619 172.5350 261 P 4.2981 0.0000 0.0000 61.7807 31.6921 174.7008 262 P 4.4230 0.0000 0.0000 62.0889 32.0839 175.9675 263 E 4.0699 8.7297 118.7497 56.8613 29.3978 176.6827 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 4 L 8.18 4.36 0.00 1.70 1.71 0.95 0.60 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 5 T 8.49 3.74 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 1.32 0.00 0.00 6 P 0.00 4.70 0.00 1.88 2.03 0.00 3.63 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.17 0.00 7 R 9.00 4.88 0.00 1.92 1.72 0.00 3.03 0.00 0.00 3.07 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.73 0.00 8 C 9.22 5.12 0.00 2.79 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 I 8.75 4.68 1.80 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 1.29 0.98 0.78 0.00 0.00 10 I 8.27 4.23 1.63 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 0.97 1.15 0.58 0.00 0.00 11 V 8.54 4.57 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 0.00 0.00 0.73 0.00 0.00 0.30 0.00 0.00 12 R 8.74 4.68 0.00 1.95 1.89 0.00 3.24 0.00 0.00 3.38 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 13 A 8.74 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 14 G 8.43 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 15 Q 9.24 4.28 0.00 2.30 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.52 0.00 0.00 0.00 0.00 0.00 2.47 2.41 0.00 16 T 8.86 5.02 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 1.38 0.00 0.00 17 E 8.69 4.08 0.00 2.09 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 0.00 2.44 2.36 0.00 18 W 8.24 4.60 0.00 3.42 3.48 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 19 S 8.45 4.29 0.00 4.17 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 0.00 20 K 8.22 4.16 0.00 1.97 2.04 0.00 1.59 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.62 1.49 7.81 21 S 7.77 4.57 0.00 4.11 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 22 G 7.62 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 23 Q 8.10 4.30 0.00 1.58 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 6.87 0.00 0.00 0.00 0.00 0.00 2.12 2.21 0.00 24 Y 8.53 4.20 0.00 2.65 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 0.00 0.00 0.00 25 T 9.07 5.25 4.49 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 1.27 0.00 0.00 26 G 10.36 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 27 L 9.11 4.09 0.00 1.72 1.78 0.95 0.84 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 28 T 8.19 3.76 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 0.80 0.00 0.00 29 D 8.33 4.62 0.00 2.59 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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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 56 P 0.00 4.37 0.00 2.15 1.92 0.00 3.71 0.00 0.00 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.86 0.00 57 D 8.34 4.40 0.00 2.68 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 58 N 8.31 4.67 0.00 2.97 2.90 0.00 0.00 6.87 6.62 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 59 I 7.75 4.64 2.02 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.73 1.01 0.00 0.00 60 T 8.85 4.43 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 1.18 0.00 0.00 61 Y 8.07 5.09 0.00 3.13 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 62 I 9.03 4.90 1.84 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.84 0.93 0.00 0.00 63 F 9.08 5.16 0.00 3.10 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 64 T 8.73 5.27 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 1.21 0.00 0.00 65 S 9.04 4.84 0.00 4.19 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 66 P 0.00 4.48 0.00 2.25 2.21 0.00 3.91 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.19 0.00 67 R 8.02 4.17 0.00 2.01 1.97 0.00 3.47 0.00 0.00 3.24 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.79 0.00 68 L 9.34 3.96 0.00 1.82 1.79 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 69 R 8.14 3.90 0.00 2.13 2.42 0.00 3.10 0.00 0.00 3.38 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.84 0.00 70 A 7.99 4.06 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 71 R 8.14 3.83 0.00 1.86 1.94 0.00 3.13 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.89 0.00 72 Q 8.93 4.01 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 73 T 7.75 4.00 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 74 V 7.58 2.63 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 0.57 0.00 0.00 0.12 0.00 0.00 75 D 7.67 4.23 0.00 2.64 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 76 L 7.93 4.14 0.00 1.78 1.71 0.97 0.66 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 77 V 8.02 3.79 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 1.31 0.00 0.00 1.13 0.00 0.00 78 L 7.91 4.51 0.00 1.79 1.60 0.87 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 79 K 7.49 3.84 0.00 1.88 1.92 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.67 7.81 80 P 0.00 4.35 0.00 2.01 2.15 0.00 3.72 0.00 0.00 3.72 0.00 0.00 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1.38 1.42 7.81 89 I 7.04 4.58 1.92 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 1.35 0.66 0.85 0.00 0.00 90 R 8.34 4.35 0.00 0.89 1.52 0.00 2.41 0.00 0.00 2.81 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.30 0.00 91 V 8.22 4.63 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 0.68 0.00 0.00 0.83 0.00 0.00 92 V 8.45 4.32 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 1.05 0.00 0.00 0.87 0.00 0.00 93 V 8.59 4.31 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 0.85 0.00 0.00 0.94 0.00 0.00 94 D 9.22 5.20 0.00 2.98 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 95 D 9.44 4.49 0.00 2.93 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 96 D 8.41 4.55 0.00 2.95 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 97 L 7.57 4.56 0.00 1.87 1.73 1.03 0.96 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 98 R 7.53 4.22 0.00 1.97 1.99 0.00 3.07 0.00 0.00 3.32 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.55 0.00 99 E 8.34 4.17 0.00 1.78 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 2.70 2.17 0.00 100 W 8.95 3.99 0.00 3.29 2.30 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 0.00 101 E 9.52 4.08 0.00 2.07 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 2.31 2.38 0.00 102 Y 8.57 4.53 0.00 3.37 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 0.00 103 G 7.94 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 D 8.13 4.30 0.00 2.15 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 Y 7.22 4.54 0.00 2.83 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 1.52 0.91 0.89 0.00 0.00 115 E 7.90 3.85 0.00 2.07 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 2.23 2.25 0.00 116 L 7.62 3.82 0.00 1.73 1.54 0.87 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 117 R 7.85 3.81 0.00 1.78 1.90 0.00 2.21 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 1.41 1.18 0.00 118 K 8.06 3.88 0.00 1.98 1.87 0.00 1.60 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.43 7.81 119 S 7.80 4.21 0.00 4.05 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 0.00 120 R 7.47 4.33 0.00 1.87 1.99 0.00 3.19 0.00 0.00 3.37 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 121 G 7.89 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 0.00 122 L 7.80 4.61 0.00 1.75 1.61 0.97 0.97 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 0.00 123 D 8.58 4.69 0.00 2.86 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 K 7.62 4.14 0.00 1.80 1.88 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.21 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.57 7.81 125 E 8.18 4.27 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 2.31 2.31 0.00 126 R 7.52 4.73 0.00 1.96 1.99 0.00 3.00 0.00 0.00 3.42 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 127 P 0.00 4.38 0.00 2.25 2.14 0.00 3.81 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 128 W 8.70 4.46 0.00 3.52 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 0.00 129 N 8.76 4.27 0.00 2.67 2.57 0.00 0.00 6.68 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 0.00 130 I 6.88 3.16 0.76 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.42 -0.35 0.00 0.00 131 W 7.70 4.88 0.00 3.33 3.38 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 0.00 132 R 8.16 4.53 0.00 2.07 2.13 0.00 3.28 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.77 0.00 133 D 8.75 4.84 0.00 2.92 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 0.00 134 G 8.93 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 0.00 0.00 0.00 0.00 135 C 8.42 5.02 0.00 3.06 2.62 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 0.00 136 E 8.62 3.98 0.00 1.72 1.80 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 2.42 2.41 0.00 137 N 9.10 4.40 0.00 2.98 2.84 0.00 0.00 6.79 8.03 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 0.00 138 G 7.91 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 E 9.12 4.85 0.00 1.93 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 2.24 2.23 0.00 140 T 8.90 4.87 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 1.29 0.00 0.00 141 T 8.84 3.97 4.71 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 1.54 0.00 0.00 142 Q 8.05 4.17 0.00 2.41 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.67 0.00 0.00 0.00 0.00 0.00 2.44 2.42 0.00 143 Q 7.74 3.81 0.00 2.08 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.86 0.00 0.00 0.00 0.00 0.00 2.44 2.34 0.00 144 I 7.02 3.36 0.87 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.81 -0.70 0.00 0.00 145 G 7.59 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 L 8.06 3.55 0.00 0.78 1.51 0.26 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 147 R 7.50 3.91 0.00 2.14 2.09 0.00 2.75 0.00 0.00 3.05 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.54 0.00 148 L 7.99 4.11 0.00 1.70 1.88 0.91 0.90 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 0.00 149 S 7.95 4.07 0.00 4.14 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 0.00 150 R 7.96 3.77 0.00 2.12 1.92 0.00 3.22 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.83 0.00 151 A 7.75 3.86 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 0.00 152 I 7.96 3.64 1.83 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 0.77 0.25 0.51 0.00 0.00 153 A 7.95 3.88 1.26 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 0.00 0.00 0.00 154 R 7.84 3.75 0.00 1.72 1.70 0.00 2.73 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 1.65 1.65 0.00 155 I 7.82 3.52 2.12 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 1.13 0.07 1.11 0.00 0.00 156 Q 8.47 4.25 0.00 1.92 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.81 0.00 0.00 0.00 0.00 0.00 2.31 1.99 0.00 157 N 8.15 4.21 0.00 2.85 2.87 0.00 0.00 7.14 5.98 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 0.00 158 L 7.66 3.82 0.00 1.85 1.58 0.41 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 159 H 8.30 4.31 0.00 3.35 3.34 0.00 5.64 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 R 8.13 3.78 0.00 1.89 2.02 0.00 3.06 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 161 K 8.20 3.92 0.00 1.84 2.04 0.00 1.71 0.00 0.00 1.63 0.00 0.00 3.05 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.48 1.63 7.81 162 H 8.46 4.41 0.00 3.48 3.38 0.00 5.70 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 Q 8.46 4.08 0.00 2.16 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 164 S 8.05 4.27 0.00 4.09 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 0.00 165 E 7.98 4.34 0.00 2.20 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 2.38 2.41 0.00 166 G 7.89 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 0.00 0.00 0.00 167 R 8.21 4.82 0.00 1.76 1.92 0.00 3.04 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 168 A 8.62 4.12 1.32 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 0.00 0.00 0.00 169 S 8.61 4.56 0.00 4.04 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 0.00 170 D 9.65 5.34 0.00 2.81 2.67 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 0.00 0.00 0.00 171 I 8.71 5.71 2.07 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 1.47 2.06 1.33 0.00 0.00 *173 V 8.10 4.44 1.72 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 0.59 0.00 0.00 0.91 0.00 0.00 174 F 9.50 5.17 0.00 2.97 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 A 8.73 4.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 H 8.93 5.22 0.00 3.30 3.36 0.00 5.64 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 G 9.07 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 H 9.17 4.55 0.00 3.95 3.74 0.00 5.83 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 A 8.58 4.21 1.49 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 0.00 180 L 8.44 4.26 0.00 1.85 1.74 0.85 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 181 R 8.09 4.26 0.00 2.61 2.37 0.00 3.41 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.03 0.00 182 Y 8.94 4.18 0.00 3.74 3.36 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 0.00 183 F 9.17 4.23 0.00 3.40 3.25 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 0.00 184 A 8.95 4.24 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 0.00 185 A 8.60 4.24 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 I 8.00 3.65 1.89 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.59 1.01 0.00 0.00 187 W 7.87 4.13 0.00 3.51 3.48 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 0.00 188 F 7.62 4.96 0.00 3.40 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 G 7.53 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 0.00 0.00 0.00 190 L 7.10 3.93 0.00 1.42 1.32 0.62 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 191 G 8.26 3.71 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 0.00 0.00 0.00 192 V 7.94 4.42 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 0.58 0.00 0.00 0.63 0.00 0.00 193 Q 8.44 4.50 0.00 1.94 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.69 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 194 K 8.59 4.52 0.00 1.61 0.80 0.00 1.54 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.20 1.34 7.81 195 K 8.64 4.55 0.00 1.75 1.78 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.46 7.81 196 C 9.05 4.52 0.00 2.94 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 0.00 197 E 9.59 4.43 0.00 1.93 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 2.25 2.23 0.00 198 T 7.90 4.31 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 1.32 0.00 0.00 199 I 8.10 3.67 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 1.64 0.73 0.91 0.00 0.00 200 E 8.13 3.95 0.00 1.91 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 2.28 2.39 0.00 201 E 7.82 3.97 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 202 I 6.92 4.37 2.04 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.61 0.93 0.00 0.00 203 Q 7.80 4.11 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.87 0.00 0.00 0.00 0.00 0.00 2.60 2.28 0.00 204 N 8.44 4.61 0.00 2.46 2.59 0.00 0.00 7.29 7.71 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 0.00 205 V 8.38 3.96 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 0.78 0.00 0.00 0.96 0.00 0.00 206 K 7.95 3.62 0.00 1.82 1.71 0.00 1.59 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.22 7.81 207 S 7.69 4.49 0.00 4.18 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 0.00 208 Y 7.53 5.34 0.00 3.20 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 0.00 209 D 8.48 4.41 0.00 2.50 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 0.00 210 D 8.27 4.71 0.00 2.85 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 0.00 211 D 8.93 4.68 0.00 2.77 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 0.00 212 T 8.45 4.20 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 1.34 0.00 0.00 213 V 7.56 4.10 2.26 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 0.67 0.00 0.00 0.97 0.00 0.00 214 P 0.00 4.40 0.00 2.10 2.04 0.00 3.73 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 2.05 2.14 0.00 215 Y 8.85 4.24 0.00 3.16 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 0.00 216 V 7.39 4.11 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 0.76 0.00 0.00 0.85 0.00 0.00 217 K 8.39 4.11 0.00 1.83 1.81 0.00 1.92 0.00 0.00 1.78 0.00 0.00 3.09 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.66 1.84 7.81 218 L 8.24 4.19 0.00 1.64 1.80 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 219 E 8.75 4.38 0.00 2.02 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 2.35 2.27 0.00 220 S 7.68 5.28 0.00 3.82 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 0.00 221 Y 8.99 4.99 0.00 2.94 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 222 R 8.46 5.19 0.00 1.74 1.82 0.00 3.02 0.00 0.00 3.33 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.48 0.00 223 H 8.62 5.39 0.00 3.66 3.61 0.00 5.45 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 224 L 9.21 4.58 0.00 1.53 1.63 0.36 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 225 V 7.93 4.45 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 0.78 0.00 0.00 0.91 0.00 0.00 226 D 7.44 4.52 0.00 2.53 2.39 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 0.00 227 N 8.34 3.14 0.00 2.54 2.45 0.00 0.00 6.99 7.69 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 0.00 228 P 0.00 3.66 0.00 0.64 1.39 0.00 2.20 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 1.01 1.03 0.00 229 C 7.92 3.48 0.00 2.92 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 0.00 230 F 7.56 5.37 0.00 2.96 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 231 L 8.22 4.74 0.00 1.62 1.58 0.93 0.92 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 0.00 232 L 8.06 4.17 0.00 1.55 1.59 0.81 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 233 D 8.61 4.54 0.00 2.76 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 0.00 234 A 8.49 4.11 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 0.00 235 G 8.93 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 0.00 0.00 0.00 0.00 236 G 8.28 3.85 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 0.00 0.00 0.00 237 I 8.21 5.01 1.77 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.64 0.81 0.00 0.00 238 G 8.98 4.09 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 0.00 0.00 0.00 239 V 7.82 4.73 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 0.87 0.00 0.00 0.84 0.00 0.00 240 L 8.63 4.76 0.00 0.27 0.13 0.64 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 241 S 9.04 4.27 0.00 3.69 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 0.00 242 Y 8.53 5.41 0.00 2.93 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 0.00 243 A 9.28 4.20 1.20 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 0.00 244 H 9.06 4.22 0.00 3.32 3.42 0.00 6.05 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 245 H 8.38 3.99 0.00 3.27 3.37 0.00 5.64 0.00 0.00 0.00 0.00 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 246 N 7.91 4.84 0.00 2.85 2.95 0.00 0.00 7.26 8.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 247 I 8.27 2.88 1.67 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.69 0.75 0.00 0.00 248 D 8.36 4.61 0.00 2.80 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 0.00 249 E 8.40 4.99 0.00 2.22 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 2.27 2.27 0.00 250 P 0.00 4.91 0.00 1.79 1.55 0.00 3.78 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 1.91 1.73 0.00 251 A 9.55 4.92 1.21 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 0.00 252 L 8.08 4.19 0.00 0.77 0.71 0.54 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 253 E 8.55 4.14 0.00 2.02 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 2.17 2.29 0.00 254 L 8.56 3.80 0.00 1.59 1.63 0.86 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 255 A 8.42 4.26 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 0.00 256 G 7.07 3.53 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 0.00 257 P 0.00 4.29 0.00 1.96 2.03 0.00 3.60 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 258 F 7.66 3.24 0.00 2.63 2.93 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 0.00 259 V 6.88 4.27 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 0.73 0.00 0.00 0.94 0.00 0.00 260 S 8.22 4.07 0.00 3.96 3.89 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 0.00 261 P 0.00 4.30 0.00 2.05 2.00 0.00 3.70 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.08 0.00 262 P 0.00 4.42 0.00 2.16 2.04 0.00 3.75 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 1.97 1.93 0.00 263 E 8.73 4.07 0.00 1.94 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 2.30 2.33 0.00 * Residues marked with a * may have inaccurate shift predictions.