NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4745 8.3049 118.1939 55.0264 33.2986 176.5144 2 L 3.8859 8.0007 118.5391 54.8455 42.0652 175.1181 3 G 4.0271 8.8918 107.2457 46.2091 0.0000 173.4449 4 L 4.2075 8.0011 117.7883 54.5949 42.4079 177.5503 5 K 4.5504 8.4352 120.6335 56.2567 32.7168 176.5573 6 T 4.2724 7.6422 109.2219 61.6816 69.5816 174.7119 7 S 4.3892 9.5538 119.1693 60.9333 63.4332 174.6210 8 I 4.3713 8.4718 118.1247 62.7748 39.2581 175.5056 9 I 4.0047 7.8782 122.8687 63.9282 36.8629 176.2082 10 G 4.1561 9.2513 114.7797 45.3093 0.0000 174.2644 11 R 4.1265 7.7291 119.4740 58.6393 30.4833 177.2567 12 R 4.8563 7.6911 114.9830 54.5017 34.8724 174.4810 13 V 4.9796 8.4127 121.1607 61.3552 34.8585 174.3054 14 I 4.4375 9.2435 128.8712 59.8569 39.3057 173.7742 15 Y 5.2646 8.5176 128.4796 56.0067 40.7249 174.6351 16 F 4.2585 8.4554 124.0032 55.4276 41.0074 176.1960 17 Q 4.1084 8.2992 121.5906 58.2894 29.6586 175.8434 18 E 5.0021 7.8247 116.7574 55.1348 32.9143 174.0631 19 I 4.3883 8.1347 123.6761 60.0522 41.7536 175.4584 20 T 3.8587 8.4759 116.7381 63.7258 69.7060 174.2149 21 S 4.7880 7.5214 116.2495 55.2930 65.6722 174.9957 22 T 3.8084 9.2514 119.7011 64.9338 68.5552 176.6108 23 N 4.3217 8.0406 118.8066 56.1244 38.6697 177.0448 24 E 3.9479 8.4197 120.2223 59.3777 29.5407 179.2227 25 F 3.9503 8.2904 120.4704 61.1883 39.2026 177.0949 26 A 4.0462 8.1062 119.5647 54.9351 18.2308 179.5391 27 K 4.0234 8.0454 116.4986 59.9297 32.2304 179.5179 28 T 3.8512 7.5888 114.7363 65.6496 68.7326 175.8270 29 S 3.8955 6.8178 115.1756 57.9669 63.4454 173.7967 30 Y 4.4312 7.9936 120.8888 57.4267 37.4175 175.2708 31 L 4.9096 8.1082 123.9357 52.6718 46.1112 176.6122 32 E 4.2382 8.5857 121.1757 55.6373 30.3013 176.1786 33 E 4.2025 8.5596 122.5627 58.1382 30.2918 177.3687 34 G 3.9943 9.5445 114.4345 45.2886 0.0000 173.3790 35 T 4.5066 7.8009 117.7193 63.7074 69.7336 173.4464 36 V 4.8895 8.8068 126.3286 61.3140 34.1023 174.2020 37 I 5.2255 9.1909 129.1688 59.6786 39.3282 175.0554 38 V 5.2375 9.2108 126.2317 60.0737 34.8766 174.4165 39 A 5.1707 8.7951 123.4527 50.4122 21.8651 176.1025 40 D 4.8041 9.0324 120.3948 57.3185 42.1633 176.6632 41 K 4.7167 7.8523 115.1779 55.9573 36.4385 174.7394 42 Q 5.0586 8.1030 121.0845 54.5383 30.9150 176.5562 43 T 4.0653 8.7657 113.7093 62.5209 70.3543 174.6430 44 M 4.9469 7.6957 122.0032 54.2891 31.6409 175.2950 45 G 3.7174 7.8988 107.4260 45.4975 0.0000 171.6915 46 H 4.4803 7.5901 113.2763 55.1934 30.8545 174.1945 47 G 4.2639 8.2542 109.3970 45.0699 0.0000 175.2359 48 R 3.8823 8.5469 122.9885 57.4211 29.6595 175.5860 *54 E 4.0827 7.9101 118.3658 56.2200 30.8377 175.4709 55 S 4.0228 8.1899 123.4657 56.0734 63.2792 172.1893 56 P 4.7627 0.0000 0.0000 62.0396 32.8237 175.6057 57 E 4.9275 8.1959 119.9845 57.7714 29.6367 177.1896 58 G 4.0080 9.4100 110.8623 45.2972 0.0000 173.8576 59 G 3.4582 7.4661 106.2817 44.6146 0.0000 173.0869 60 L 4.1843 7.5007 122.0423 52.9398 43.8519 175.3283 61 W 5.4585 8.2055 127.6461 55.0691 31.4454 174.8711 62 L 5.3795 9.0147 124.5036 54.5835 44.1483 175.1430 63 S 5.2191 9.4191 115.2349 56.9667 67.5861 173.1470 64 I 4.9324 8.5713 123.5477 59.4910 40.5705 174.7003 65 V 4.2902 8.5351 127.1219 62.1858 32.7668 174.7885 66 L 4.9913 9.1702 127.3399 52.5655 45.8195 176.4472 67 S 4.7516 8.8183 114.6932 56.2255 62.4518 172.4306 68 P 4.4914 0.0000 0.0000 63.1689 32.5329 178.5811 69 K 4.3780 8.4512 125.4292 55.2382 30.6594 175.1954 70 V 4.5063 7.0431 112.2208 58.1269 36.1966 174.2697 71 P 4.3378 0.0000 0.0000 62.8085 31.4223 177.6406 72 Q 4.0746 8.8633 122.6141 59.0171 29.1359 178.9889 73 K 4.2105 8.0294 116.0735 59.5693 33.0998 177.7265 74 D 4.6112 8.1905 119.1228 56.0286 41.4626 178.2244 75 L 4.2075 7.7430 118.5982 57.5959 41.6981 177.5964 76 P 4.4533 0.0000 0.0000 64.4958 31.6172 177.1272 77 K 4.3117 8.6100 117.8501 57.4831 32.7997 178.9432 78 I 3.4024 7.7974 121.3681 64.2102 36.9077 178.3595 79 V 3.4500 7.5301 119.3943 64.9149 30.8341 178.3362 80 F 4.5002 7.5271 117.7102 60.1446 38.6330 177.5802 81 L 4.1078 7.8857 119.0963 57.6697 41.4228 179.7447 82 G 3.5128 7.9669 104.8210 47.7262 0.0000 175.3695 83 A 3.9943 7.8902 123.7133 54.8383 18.3984 179.9455 84 V 3.6645 8.3115 117.3106 65.9670 31.6199 178.3189 85 G 3.6782 8.2628 105.6452 47.8261 0.0000 175.7648 86 V 3.5490 7.7900 120.6309 65.6794 31.5218 178.0966 87 V 3.5837 7.8298 117.9354 66.2096 31.3031 177.7621 88 E 3.9692 8.5867 118.5060 59.8354 29.1876 179.5638 89 T 3.9955 8.0539 115.6778 66.6512 68.5201 176.7960 90 L 4.0658 8.4070 121.3843 57.7862 41.5467 179.7586 91 K 4.3067 8.4338 118.6721 59.4341 31.7178 179.2646 92 E 3.9745 8.1198 118.2492 58.6098 29.3088 178.2669 93 F 4.4773 7.7329 115.8926 56.3159 39.4762 175.7018 94 S 3.8055 8.1600 113.1842 59.9014 60.6783 171.9246 95 I 4.4814 8.0920 120.3707 59.6610 39.1077 176.7280 96 D 4.5902 8.4808 125.9362 53.1466 39.5481 174.4927 97 G 3.9058 7.9544 109.2958 45.5008 0.0000 170.4493 98 R 4.9440 9.0474 122.9847 54.1467 34.3864 174.6079 99 I 4.5073 8.9105 124.5904 60.7653 38.8329 174.7641 100 K 4.8498 9.3105 129.6754 54.2020 33.3951 175.4067 101 W 4.5584 9.1735 135.0000 57.7505 30.8643 173.6709 102 P 4.2763 0.0000 0.0000 62.3483 32.0214 174.7924 103 N 4.8605 7.6356 114.5783 52.3423 39.2440 173.2555 104 D 5.3834 8.2507 119.7904 52.8464 44.4094 175.3080 105 V 4.7861 8.4479 120.5869 61.2729 34.3227 174.5137 106 L 5.2959 9.3193 127.4116 52.9362 45.8324 175.7636 107 V 4.4216 8.3529 120.3018 61.3855 34.4675 175.3183 108 N 4.2293 9.5351 126.4484 54.8478 35.9288 174.6077 109 Y 3.5091 7.9149 111.0983 58.3273 35.8123 169.4837 110 K 4.8105 7.9807 119.2870 53.2136 34.5293 175.4761 111 A 4.5339 8.6063 125.3407 52.5434 18.9491 177.4360 112 I 4.9165 8.8941 121.0297 60.9374 41.0160 174.6578 113 A 5.0928 7.7395 121.3283 51.0888 22.5979 175.2639 114 G 4.4587 9.1743 106.2447 44.4462 0.0000 171.6772 115 V 4.9759 8.2340 121.5177 60.5963 34.3381 174.6646 116 L 4.5649 9.0311 129.3416 53.3905 44.7747 174.8428 117 V 4.8599 8.3301 126.4048 61.3912 33.2676 174.4975 118 E 4.7194 9.4885 125.8994 54.9853 34.4948 174.1064 119 G 4.4723 8.9817 108.7279 44.9530 0.0000 173.2044 120 K 4.1272 8.0517 123.1898 56.2804 34.0270 176.1603 121 G 3.9848 7.5795 104.9457 43.6390 0.0000 173.2600 122 D 4.5624 9.2292 123.0316 53.4190 38.7687 173.7265 123 K 4.5877 8.0731 121.2330 55.3107 35.1412 174.3819 124 I 4.8099 9.1780 129.2878 59.4008 40.0737 174.9600 125 V 4.6524 9.1505 127.6398 61.1144 33.7013 174.0552 126 L 4.6284 8.9976 131.6032 53.6940 43.2873 174.9703 127 G 4.8032 8.9577 114.9125 44.1187 0.0000 171.6200 128 I 5.1955 9.1439 124.2995 59.2708 41.7744 174.4849 129 G 4.7331 9.1726 113.3465 44.4119 0.0000 171.2425 130 L 5.1241 8.4624 127.6723 53.0507 45.5417 175.0422 131 N 4.4924 9.2666 124.7856 53.6193 38.9485 174.1104 132 V 4.0707 8.8681 124.1637 62.4684 32.8798 175.8610 133 N 5.1027 8.8965 119.5200 52.8010 40.0951 174.4395 134 N 4.8579 8.0523 116.5755 52.1339 38.7047 175.2462 135 K 4.2724 8.5609 119.1777 56.5061 32.9011 176.8939 136 V 4.6015 7.8447 113.7378 58.7360 35.7810 173.6931 137 P 4.5653 0.0000 0.0000 61.9940 31.9913 175.9468 138 N 4.6193 8.3365 117.4397 54.7960 38.8980 175.6012 139 G 3.9411 9.2030 109.8018 44.8360 0.0000 172.9665 140 A 4.7860 7.2373 119.8512 51.0260 21.5354 175.1523 141 T 4.7950 8.8789 113.4848 61.4217 71.2250 172.1227 142 S 4.7542 8.2902 115.3200 56.1844 66.3734 175.2126 143 M 4.0086 8.7595 120.1654 58.2352 31.5006 179.1723 144 K 4.3199 8.2093 121.4901 59.1021 32.2055 178.9624 145 L 4.0305 7.7916 118.0183 57.8084 41.5564 179.0844 146 E 4.1414 8.2015 117.9061 58.8611 29.5957 178.4694 147 L 4.4237 8.2487 116.9058 54.2927 42.1921 177.8668 148 G 3.9677 9.3655 107.1347 45.3348 0.0000 173.2313 149 S 4.5563 7.2850 111.9888 56.6697 65.3406 173.9376 150 E 4.2023 8.6838 122.3695 56.4976 29.9065 176.2028 151 V 4.3046 8.9868 124.3009 59.9887 34.0006 172.9348 152 P 4.2156 0.0000 0.0000 62.8215 31.3484 176.3358 153 L 3.8557 8.6877 126.1577 58.2522 41.7658 178.5282 154 L 4.0027 7.8597 119.5438 58.2403 42.0665 178.9993 155 S 4.2253 8.0312 115.0562 61.5660 62.6890 176.8147 156 V 3.5622 7.7629 120.5821 65.6755 31.2134 177.6743 157 F 4.0445 8.2902 120.4336 61.3707 39.2873 177.1796 158 R 3.8721 8.4430 117.9103 59.3249 29.9319 178.9155 159 S 4.0543 8.1437 112.6587 61.3174 62.3739 175.9200 160 L 4.1658 7.9482 124.3878 57.7959 41.8753 178.8729 161 I 3.4862 7.5075 119.8131 64.6324 37.0590 178.5935 162 T 3.8510 7.7678 116.4271 66.6386 68.2304 176.5172 163 N 4.3478 8.1570 118.3161 56.3893 38.6224 177.5158 164 L 3.9797 8.2107 120.7446 57.6431 41.6197 179.0562 165 D 4.3586 8.2154 118.0241 57.3451 41.3173 178.2932 166 R 3.9041 7.8628 118.6856 59.5378 30.1524 178.4342 167 L 4.0637 8.1509 118.8728 58.0222 41.6656 178.9519 168 Y 4.2601 8.6984 119.8413 60.6599 38.5175 177.9882 169 L 3.8756 8.2455 120.0993 57.8590 41.6842 179.0731 170 N 4.4290 8.1950 116.7037 56.4070 38.6221 176.7643 171 F 4.1891 8.0339 121.6960 61.1734 39.5253 176.8005 172 L 3.8669 7.5423 117.8222 57.3258 41.3601 179.4575 173 K 4.2893 7.2547 116.3318 57.9264 33.2487 177.8346 174 N 4.7657 8.6067 122.1867 50.1697 39.3845 173.3193 175 P 3.7785 0.0000 0.0000 64.8910 31.9730 177.7100 176 M 4.3296 7.8032 116.6095 56.7465 32.5271 177.8537 177 D 4.4195 8.0812 119.3307 57.3857 40.8503 178.4761 178 I 3.7703 7.9146 118.6440 63.9550 38.0212 177.6297 179 L 3.9088 7.9437 119.7451 57.8724 41.4122 179.2815 180 N 4.3636 7.9497 116.1783 56.2195 38.2482 177.4854 181 L 4.0077 7.8011 119.0422 57.5894 42.0882 179.2465 182 V 3.6623 7.8183 118.1577 66.0123 31.2501 177.8073 183 R 3.8803 7.9401 118.3558 59.8523 29.6745 178.0745 184 D 4.6120 8.1011 116.4685 56.0678 41.0371 176.8123 185 N 4.9591 8.0787 115.9382 52.7763 39.4687 173.3754 186 M 5.0480 7.3898 114.6099 53.5233 33.7526 175.8305 187 I 4.0625 8.5106 122.2759 61.4092 36.3762 175.3000 188 L 4.7303 8.1256 125.8990 53.3955 46.7394 177.1687 189 G 3.8688 9.2300 105.7898 46.3355 0.0000 173.6906 190 V 4.6630 7.1052 110.2640 58.8560 35.6682 175.0159 191 R 4.7025 8.5098 122.6582 56.6972 31.4885 175.5676 192 V 4.6684 9.0461 117.8332 59.7922 37.0662 173.6476 193 K 4.8094 9.1142 123.4691 54.7529 34.9447 174.6228 194 I 4.5260 8.1791 128.5323 59.6216 39.2924 174.4370 195 L 4.7981 8.8830 127.8023 52.3593 43.9867 175.1283 196 G 4.0444 9.0167 119.5365 45.7875 0.0000 176.3320 197 D 4.5287 8.9837 119.9170 51.8122 39.2937 175.1112 198 G 3.9271 9.4309 109.2547 44.0108 0.0000 169.6715 199 S 5.6000 8.3274 111.1832 57.4620 66.0586 173.2007 200 F 5.0532 7.9072 114.4919 56.0567 41.1316 172.4654 201 E 5.1440 8.8767 118.2721 54.5961 33.2185 175.3708 202 G 4.0331 7.9685 107.4643 46.5806 0.0000 171.5459 203 I 4.7538 7.8835 120.6332 60.2579 38.8156 175.8819 204 A 4.5324 8.9287 129.5094 51.8816 18.1939 177.7329 205 E 3.9724 9.1472 122.4983 59.5311 30.6421 176.6222 206 D 4.3349 7.0978 115.9588 54.1439 44.4560 173.8004 207 I 4.8658 8.2241 112.6301 58.9406 40.0729 175.3793 208 D 4.8108 8.7518 123.2256 52.3395 41.4646 176.3265 209 D 4.5325 8.8405 117.4988 55.6510 39.3270 176.5119 210 F 4.5181 8.9925 117.8078 57.0721 39.6189 176.4669 211 G 4.3611 8.6691 109.4497 45.3762 0.0000 174.2320 212 R 4.6033 8.1546 119.2321 55.9511 31.6889 175.4218 213 L 4.1187 8.0663 125.7645 54.6381 43.2975 175.4346 214 I 4.6664 8.8207 128.0423 60.2931 38.8067 174.6706 215 I 4.9317 8.8939 128.6337 59.3921 40.3659 174.5963 216 R 4.9480 8.6141 127.3419 54.5429 31.6156 175.8291 217 L 4.7494 9.0106 127.3400 54.1754 42.4507 178.0531 218 D 4.3516 8.6759 120.6034 57.2818 40.7973 178.1433 219 S 4.2464 7.9475 111.7111 59.0532 63.5062 174.9949 220 G 3.9587 8.6153 110.5173 44.8526 0.0000 173.6294 221 E 4.0214 7.9078 121.2502 56.4427 30.8617 175.5537 222 V 4.8063 8.2526 125.6604 61.1277 33.5174 174.6978 223 K 4.5896 9.1307 127.2906 54.4130 35.4579 175.2120 224 K 4.9019 8.5522 123.0805 54.7386 34.1978 175.6218 225 V 4.2482 8.7315 126.6567 61.8250 33.0976 174.5376 226 I 5.1589 8.4488 128.6651 59.7508 38.6988 175.3388 227 Y 4.6038 9.0860 124.9741 56.1621 39.4880 175.7313 228 G 4.2444 8.0600 116.6812 46.0375 0.0000 173.7277 229 D 4.9244 8.5636 119.6129 51.7282 41.1761 175.1220 230 V 4.8459 7.2954 118.7773 60.2401 35.1878 175.5652 231 S 4.8503 9.4103 117.5525 56.4054 65.7371 172.1263 232 L 5.1259 8.5051 126.8119 53.2847 44.4598 175.5107 233 R 4.6123 8.5978 124.3543 54.3159 33.5744 175.0232 234 F 4.8016 8.7755 121.7720 57.1483 40.4002 175.6615 235 L 4.4073 8.1435 120.2571 54.9385 41.3302 176.4884 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 1 M 8.30 4.47 0.00 2.12 2.25 0.00 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.53 0.00 2 L 8.00 3.89 0.00 1.78 1.83 0.91 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 3 G 8.89 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 4 L 8.00 4.21 0.00 1.70 1.65 1.12 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.44 4.55 0.00 1.72 1.79 0.00 1.78 0.00 0.00 1.77 0.00 0.00 3.18 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.33 7.81 6 T 7.64 4.27 4.56 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 1.20 0.00 0.00 7 S 9.55 4.39 0.00 3.88 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 8 I 8.47 4.37 2.05 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.16 1.03 0.00 0.00 9 I 7.88 4.00 1.85 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.42 0.83 0.00 0.00 10 G 9.25 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 7.73 4.13 0.00 1.88 2.05 0.00 3.30 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.77 0.00 12 R 7.69 4.86 0.00 1.76 1.80 0.00 3.12 0.00 0.00 3.31 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 13 V 8.41 4.98 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 0.91 0.00 0.00 1.16 0.00 0.00 14 I 9.24 4.44 2.04 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 1.16 0.78 0.60 0.00 0.00 15 Y 8.52 5.26 0.00 2.86 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 16 F 8.46 4.26 0.00 2.64 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 17 Q 8.30 4.11 0.00 1.94 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.80 0.00 0.00 0.00 0.00 0.00 2.58 2.20 0.00 18 E 7.82 5.00 0.00 1.90 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.26 0.00 19 I 8.13 4.39 1.23 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.34 0.66 0.00 0.00 20 T 8.48 3.86 4.18 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 1.17 0.00 0.00 21 S 7.52 4.79 0.00 3.98 3.67 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 22 T 9.25 3.81 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 1.23 0.00 0.00 23 N 8.04 4.32 0.00 2.78 2.99 0.00 0.00 7.15 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.42 3.95 0.00 2.09 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 2.36 2.46 0.00 25 F 8.29 3.95 0.00 2.98 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 26 A 8.11 4.05 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 27 K 8.05 4.02 0.00 1.88 1.82 0.00 1.76 0.00 0.00 1.81 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.50 7.81 28 T 7.59 3.85 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 29 S 6.82 3.90 0.00 3.41 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 Y 7.99 4.43 0.00 3.00 2.86 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 31 L 8.11 4.91 0.00 1.60 1.57 0.99 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.59 4.24 0.00 2.04 1.90 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 2.44 2.27 0.00 33 E 8.56 4.20 0.00 1.98 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 2.36 2.35 0.00 34 G 9.54 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 35 T 7.80 4.51 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 1.33 0.00 0.00 36 V 8.81 4.89 2.28 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 1.12 0.00 0.00 1.04 0.00 0.00 37 I 9.19 5.23 1.98 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.16 0.92 0.00 0.00 38 V 9.21 5.24 2.28 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 0.95 0.00 0.00 1.10 0.00 0.00 39 A 8.80 5.17 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 0.00 0.00 0.00 0.00 0.00 40 D 9.03 4.80 0.00 3.02 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 41 K 7.85 4.72 0.00 2.00 2.01 0.00 1.24 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.37 7.81 42 Q 8.10 5.06 0.00 1.63 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.79 0.00 0.00 0.00 0.00 0.00 2.12 1.90 0.00 43 T 8.77 4.07 4.17 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 1.18 0.00 0.00 44 M 7.70 4.95 0.00 1.78 2.02 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.41 0.00 45 G 7.90 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 H 7.59 4.48 0.00 3.18 3.16 0.00 5.47 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 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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 61 W 8.21 5.46 0.00 3.33 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 62 L 9.01 5.38 0.00 1.96 1.87 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 63 S 9.42 5.22 0.00 3.76 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 64 I 8.57 4.93 1.77 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 1.08 0.82 0.78 0.00 0.00 65 V 8.54 4.29 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.96 0.00 0.00 66 L 9.17 4.99 0.00 1.55 1.38 0.61 -0.38 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 67 S 8.82 4.75 0.00 3.83 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 P 0.00 4.49 0.00 2.51 2.50 0.00 3.92 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.22 0.00 69 K 8.45 4.38 0.00 1.76 1.83 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.41 0.00 0.00 0.00 0.00 1.43 1.41 7.81 70 V 7.04 4.51 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 0.54 0.00 0.00 1.01 0.00 0.00 71 P 0.00 4.34 0.00 2.31 1.97 0.00 3.69 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 72 Q 8.86 4.07 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.90 0.00 0.00 0.00 0.00 0.00 2.46 2.39 0.00 73 K 8.03 4.21 0.00 2.04 2.03 0.00 1.57 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.42 1.44 7.81 74 D 8.19 4.61 0.00 2.88 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 L 7.74 4.21 0.00 1.90 1.81 0.97 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 76 P 0.00 4.45 0.00 2.08 1.89 0.00 3.84 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.07 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 0.00 0.00 0.00 0.00 0.00 86 V 7.79 3.55 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.92 0.00 0.00 87 V 7.83 3.58 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 1.09 0.00 0.00 1.01 0.00 0.00 88 E 8.59 3.97 0.00 2.18 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 2.34 2.63 0.00 89 T 8.05 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 1.24 0.00 0.00 90 L 8.41 4.07 0.00 1.83 1.87 0.90 0.73 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 91 K 8.43 4.31 0.00 1.96 1.87 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.62 7.81 92 E 8.12 3.97 0.00 2.28 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 2.32 2.58 0.00 93 F 7.73 4.48 0.00 3.01 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 S 8.16 3.81 0.00 4.04 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 95 I 8.09 4.48 2.02 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.85 0.91 0.00 0.00 96 D 8.48 4.59 0.00 2.61 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 97 G 7.95 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 0.00 0.00 0.00 98 R 9.05 4.94 0.00 1.51 1.69 0.00 3.24 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 99 I 8.91 4.51 2.00 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 1.14 0.73 1.06 0.00 0.00 100 K 9.31 4.85 0.00 2.07 1.83 0.00 2.03 0.00 0.00 1.70 0.00 0.00 2.73 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.44 1.50 7.81 101 W 9.17 4.56 0.00 3.35 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 0.00 102 P 0.00 4.28 0.00 0.89 0.49 0.00 3.40 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.82 0.00 103 N 7.64 4.86 0.00 2.66 2.58 0.00 0.00 6.11 8.07 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 0.00 104 D 8.25 5.38 0.00 2.66 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 0.00 105 V 8.45 4.79 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 1.09 0.00 0.00 0.93 0.00 0.00 106 L 9.32 5.30 0.00 1.43 1.66 1.08 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 107 V 8.35 4.42 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 1.02 0.00 0.00 0.91 0.00 0.00 108 N 9.54 4.23 0.00 2.92 2.92 0.00 0.00 7.24 7.46 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 0.00 109 Y 7.91 3.51 0.00 3.15 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 0.00 110 K 7.98 4.81 0.00 1.99 1.77 0.00 1.71 0.00 0.00 1.78 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.57 1.37 7.81 111 A 8.61 4.53 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 I 8.89 4.92 1.87 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 1.12 1.75 0.94 0.00 0.00 113 A 7.74 5.09 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 0.00 114 G 9.17 4.46 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 0.00 115 V 8.23 4.98 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 0.77 0.00 0.00 0.94 0.00 0.00 116 L 9.03 4.56 0.00 1.63 1.40 0.86 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 117 V 8.33 4.86 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 0.88 0.00 0.00 0.81 0.00 0.00 118 E 9.49 4.72 0.00 1.87 1.74 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 2.19 2.21 0.00 119 G 8.98 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 0.00 0.00 0.00 0.00 120 K 8.05 4.13 0.00 1.87 1.79 0.00 1.53 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.37 7.81 121 G 7.58 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 0.00 122 D 9.23 4.56 0.00 3.01 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 0.00 123 K 8.07 4.59 0.00 1.83 1.68 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.41 7.81 124 I 9.18 4.81 1.88 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 1.16 0.79 0.90 0.00 0.00 125 V 9.15 4.65 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.91 0.00 0.00 126 L 9.00 4.63 0.00 1.67 1.44 0.83 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 127 G 8.96 4.80 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 0.00 0.00 0.00 128 I 9.14 5.20 1.87 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 1.12 0.83 0.89 0.00 0.00 129 G 9.17 4.73 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 0.00 130 L 8.46 5.12 0.00 1.61 1.26 0.89 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 131 N 9.27 4.49 0.00 2.73 2.76 0.00 0.00 6.09 7.28 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 0.00 132 V 8.87 4.07 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 0.89 0.00 0.00 0.67 0.00 0.00 133 N 8.90 5.10 0.00 2.53 2.90 0.00 0.00 7.22 7.86 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 0.00 134 N 8.05 4.86 0.00 2.89 3.19 0.00 0.00 6.16 7.13 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 0.00 135 K 8.56 4.27 0.00 1.80 1.81 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.49 7.81 136 V 7.84 4.60 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 0.84 0.00 0.00 0.96 0.00 0.00 137 P 0.00 4.57 0.00 2.19 1.98 0.00 3.64 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 138 N 8.34 4.62 0.00 2.73 2.76 0.00 0.00 7.19 7.65 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 0.00 139 G 9.20 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 0.00 140 A 7.24 4.79 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 0.00 141 T 8.88 4.79 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 1.27 0.00 0.00 142 S 8.29 4.75 0.00 4.08 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 0.00 143 M 8.76 4.01 0.00 1.95 2.01 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.41 0.00 144 K 8.21 4.32 0.00 2.04 1.80 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.44 7.81 145 L 7.79 4.03 0.00 1.82 1.72 0.96 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 146 E 8.20 4.14 0.00 2.08 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 2.59 2.48 0.00 147 L 8.25 4.42 0.00 1.67 1.74 1.03 0.99 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 0.00 148 G 9.37 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 S 7.29 4.56 0.00 3.98 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 0.00 150 E 8.68 4.20 0.00 1.95 1.90 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 2.29 2.55 0.00 151 V 8.99 4.30 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 0.95 0.00 0.00 152 P 0.00 4.22 0.00 2.29 2.05 0.00 3.79 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 2.18 2.12 0.00 153 L 8.69 3.86 0.00 1.69 1.62 0.77 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 154 L 7.86 4.00 0.00 1.74 1.65 0.88 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 155 S 8.03 4.23 0.00 4.32 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 V 7.76 3.56 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.46 0.00 0.00 157 F 8.29 4.04 0.00 3.15 3.24 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 0.00 158 R 8.44 3.87 0.00 2.11 2.02 0.00 3.26 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.01 0.00 159 S 8.14 4.05 0.00 4.07 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 0.00 160 L 7.95 4.17 0.00 1.77 1.48 0.87 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 161 I 7.51 3.49 1.48 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 -0.36 0.76 0.00 0.00 162 T 7.77 3.85 4.37 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 1.21 0.00 0.00 163 N 8.16 4.35 0.00 2.88 2.97 0.00 0.00 7.07 6.12 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 0.00 164 L 8.21 3.98 0.00 1.60 1.66 0.83 0.83 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 0.00 165 D 8.22 4.36 0.00 2.91 2.82 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 0.00 166 R 7.86 3.90 0.00 1.98 2.09 0.00 3.16 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 1.65 1.69 0.00 167 L 8.15 4.06 0.00 1.93 1.77 1.02 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 168 Y 8.70 4.26 0.00 3.05 3.18 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 0.00 169 L 8.25 3.88 0.00 1.91 1.70 0.96 0.42 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 0.00 170 N 8.19 4.43 0.00 2.90 2.86 0.00 0.00 6.88 7.32 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 0.00 171 F 8.03 4.19 0.00 3.15 3.24 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 0.00 172 L 7.54 3.87 0.00 1.68 1.57 0.73 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 173 K 7.25 4.29 0.00 1.89 1.80 0.00 1.61 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.43 1.41 7.81 174 N 8.61 4.77 0.00 2.71 2.68 0.00 0.00 7.13 8.42 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 0.00 175 P 0.00 3.78 0.00 1.87 1.47 0.00 3.46 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.60 0.00 176 M 7.80 4.33 0.00 2.05 2.05 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 2.55 2.48 0.00 177 D 8.08 4.42 0.00 2.96 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 0.00 178 I 7.91 3.77 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 1.80 1.35 1.24 0.00 0.00 179 L 7.94 3.91 0.00 1.93 1.70 1.03 0.51 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 0.00 180 N 7.95 4.36 0.00 2.85 2.86 0.00 0.00 6.99 6.45 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 0.00 181 L 7.80 4.01 0.00 1.79 1.74 0.95 0.88 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 0.00 182 V 7.82 3.66 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.72 0.00 0.00 183 R 7.94 3.88 0.00 2.02 2.09 0.00 3.14 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.84 0.00 184 D 8.10 4.61 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 0.00 185 N 8.08 4.96 0.00 2.81 2.77 0.00 0.00 6.45 6.96 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 0.00 186 M 7.39 5.05 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.79 0.00 187 I 8.51 4.06 2.06 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.61 0.82 0.00 0.00 188 L 8.13 4.73 0.00 1.56 1.55 0.99 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 189 G 9.23 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 V 7.11 4.66 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 0.81 0.00 0.00 1.18 0.00 0.00 191 R 8.51 4.70 0.00 1.94 1.84 0.00 3.16 0.00 0.00 3.36 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 192 V 9.05 4.67 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 0.77 0.00 0.00 0.95 0.00 0.00 193 K 9.11 4.81 0.00 1.69 1.54 0.00 1.56 0.00 0.00 1.60 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.18 1.28 7.81 194 I 8.18 4.53 0.56 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.31 0.74 0.00 0.00 195 L 8.88 4.80 0.00 1.49 1.53 0.89 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 196 G 9.02 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 D 8.98 4.53 0.00 2.67 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 0.00 198 G 9.43 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 0.00 0.00 0.00 199 S 8.33 5.60 0.00 3.84 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 0.00 200 F 7.91 5.05 0.00 3.12 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 0.00 201 E 8.88 5.14 0.00 1.88 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 0.00 202 G 7.97 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 0.00 203 I 7.88 4.75 2.03 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 1.19 1.21 1.03 0.00 0.00 204 A 8.93 4.53 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.15 3.97 0.00 1.84 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 2.54 2.40 0.00 206 D 7.10 4.33 0.00 2.69 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 207 I 8.22 4.87 1.95 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 1.45 0.85 0.94 0.00 0.00 208 D 8.75 4.81 0.00 3.00 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 0.00 209 D 8.84 4.53 0.00 2.85 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 0.00 210 F 8.99 4.52 0.00 3.18 3.24 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 0.00 211 G 8.67 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 0.00 0.00 0.00 0.00 212 R 8.15 4.60 0.00 2.23 1.99 0.00 3.15 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.84 0.00 213 L 8.07 4.12 0.00 0.27 0.33 0.65 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 214 I 8.82 4.67 1.91 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.87 0.89 0.00 0.00 215 I 8.89 4.93 2.01 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.12 1.08 0.00 0.00 216 R 8.61 4.95 0.00 1.89 1.89 0.00 3.09 0.00 0.00 3.17 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 217 L 9.01 4.75 0.00 1.71 1.57 0.85 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 218 D 8.68 4.35 0.00 2.68 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 0.00 219 S 7.95 4.25 0.00 3.96 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 220 G 8.62 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 0.00 221 E 7.91 4.02 0.00 2.05 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.18 0.00 222 V 8.25 4.81 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 0.83 0.00 0.00 0.96 0.00 0.00 223 K 9.13 4.59 0.00 1.44 1.43 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.52 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.02 1.03 7.81 224 K 8.55 4.90 0.00 1.58 1.71 0.00 1.69 0.00 0.00 1.77 0.00 0.00 2.83 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.30 1.35 7.81 225 V 8.73 4.25 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 1.02 0.00 0.00 226 I 8.45 5.16 1.95 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.80 0.89 0.00 0.00 227 Y 9.09 4.60 0.00 2.62 2.32 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 0.00 228 G 8.06 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 0.00 229 D 8.56 4.92 0.00 2.65 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.30 4.85 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 1.03 0.00 0.00 1.06 0.00 0.00 231 S 9.41 4.85 0.00 3.83 3.68 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 0.00 232 L 8.51 5.13 0.00 1.74 1.50 0.96 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 233 R 8.60 4.61 0.00 1.66 1.73 0.00 3.32 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.67 0.00 234 F 8.78 4.80 0.00 3.01 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 0.00 235 L 8.14 4.41 0.00 1.56 1.57 1.04 0.76 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 * Residues marked with a * may have inaccurate shift predictions.