NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 S 4.5614 8.1933 115.3001 58.2632 64.7192 175.5480 18 L 3.9054 7.6383 120.6954 56.8757 41.3829 177.9946 19 A 3.9990 8.2723 122.0466 54.8304 18.8325 178.6899 20 A 4.0374 7.7975 118.9360 55.0280 18.3347 179.7276 21 I 2.9936 7.3821 117.4956 64.4982 37.3600 178.0518 22 D 4.4281 7.5154 117.2426 56.3667 41.3110 176.0116 23 S 4.3866 7.2237 113.5931 58.3809 63.5566 174.3740 *25 I 3.8039 7.6048 120.2881 61.8032 38.2863 175.4008 26 D 4.3160 8.7109 123.7777 54.2937 41.2119 175.4995 27 P 4.2350 0.0000 0.0000 65.5882 31.4969 177.3326 28 D 4.3938 9.0786 117.7090 56.5345 40.8017 176.8536 29 I 4.0070 7.7955 120.2665 60.5339 35.5454 174.8436 30 S 4.5785 8.4286 119.0122 56.4667 65.2346 173.7577 31 G 3.6847 8.3739 109.1885 43.6997 0.0000 172.7106 32 P 4.0615 0.0000 0.0000 61.7824 30.5473 178.4896 *34 R 4.2251 8.0467 119.5085 56.6342 32.3705 176.6346 35 H 4.2444 8.2810 117.2155 59.1218 29.8283 177.2765 36 I 3.6054 7.6263 121.1574 64.4266 37.0004 178.3359 37 V 3.6372 7.7174 118.4731 66.2252 31.2869 178.3347 38 V 3.6632 7.7805 111.9249 64.2037 31.2346 178.7744 39 K 4.0107 8.0243 118.0466 59.1535 31.8173 179.2157 40 A 4.1556 7.9907 122.3501 54.7641 18.3730 179.6342 41 I 3.7053 7.8995 118.2917 64.9395 36.9953 178.1727 42 H 4.2618 8.4356 117.7766 59.3375 29.7780 176.9020 43 A 4.0837 8.2753 121.7174 54.8449 18.2628 178.9785 44 A 4.2119 8.5450 118.7370 52.3918 18.3808 178.1436 45 G 4.1637 7.6594 104.4832 45.6729 0.0000 173.2231 46 D 4.4761 7.5975 118.5277 52.6704 44.4557 175.9880 47 F 4.6434 8.7837 125.2122 59.7537 39.4100 177.3386 48 A 4.1104 8.3797 123.4368 54.9705 18.4699 178.3920 49 I 3.9806 7.5917 107.1016 62.0613 38.2966 177.7298 50 A 3.9720 8.0267 125.6231 55.0944 18.1085 177.4929 51 P 4.6400 0.0000 0.0000 63.6594 31.9733 176.5363 52 L 4.4498 7.7858 119.1347 55.1341 42.3484 176.1253 53 I 4.5307 7.2086 119.6909 61.3250 37.7044 175.8313 54 R 4.8049 9.3566 125.3602 54.8994 34.5643 173.7047 55 Y 4.4192 7.5560 118.3576 55.5270 40.9264 174.3940 56 S 4.3942 7.9107 115.7656 57.9372 64.2607 175.0240 57 D 4.4662 9.0243 121.2827 57.3227 40.8702 177.7948 58 G 4.0525 7.9634 104.9277 45.3485 0.0000 175.2370 59 F 4.1389 8.3867 123.1471 61.2450 39.6560 176.1576 60 F 4.1870 8.5877 120.7488 61.2008 39.5694 175.9482 61 K 3.8475 8.3228 120.9658 59.6398 32.1147 179.0013 62 S 3.7855 8.0753 109.5027 59.2579 62.1058 175.1107 *64 L 3.9836 8.0346 122.0854 54.5898 43.6760 178.4516 65 A 3.8760 7.7775 120.1696 55.1608 18.2647 179.6729 66 K 3.7880 7.4744 116.6641 59.7943 31.9703 179.7513 67 L 4.1707 7.5442 117.0379 57.4216 41.5911 179.4745 68 K 4.1126 8.2096 118.2600 59.6234 32.2468 179.1059 69 E 4.2137 8.0654 116.5303 56.0881 29.4811 174.6091 70 G 3.9394 8.4807 113.6234 45.2051 0.0000 172.3333 71 C 4.6302 9.3217 119.8729 57.7483 33.5947 171.9224 72 T 4.8208 8.1650 114.6340 62.5303 70.4049 174.2223 73 I 4.2453 9.0678 128.8542 60.0546 38.4894 174.8379 74 I 4.5289 8.6786 129.9624 60.7609 38.1610 175.1052 75 C 5.7197 9.2402 125.5159 57.2544 29.9745 174.1501 76 D 4.7545 8.8812 121.5993 55.2955 40.2745 176.2249 77 S 4.7712 7.7992 112.5543 56.3824 66.3876 175.0639 78 E 4.4972 8.4555 120.1527 56.2864 28.5981 179.6931 *80 V 3.9998 7.9722 119.6797 63.0049 33.2800 177.1102 81 R 3.8731 7.9238 119.1161 59.2476 30.0176 178.2263 82 A 4.2027 8.5711 119.9990 54.3455 18.5220 178.5008 83 G 3.7659 7.6648 103.4496 46.9297 0.0000 173.9192 84 I 3.9891 7.2317 120.4231 60.4507 36.7427 174.9827 85 Y 4.7260 7.3152 121.7304 55.2107 39.4092 176.1406 86 S 4.1305 7.6680 115.8195 58.9613 63.1390 174.0673 87 R 3.9138 8.8068 128.9586 59.3641 29.3137 176.5324 88 P 4.2331 0.0000 0.0000 65.4162 31.1704 178.8696 89 V 3.5038 7.6597 116.5702 66.1505 31.4990 178.0659 90 L 4.1206 8.0176 117.4773 57.7833 41.4504 179.1608 91 E 4.1218 8.3689 118.1684 58.6265 29.1699 177.7446 92 R 4.5609 7.6353 116.8500 56.0509 32.4678 176.0335 93 N 5.2407 8.4261 115.5215 51.3246 42.1397 174.0408 94 R 4.5590 8.4733 120.6916 54.6757 32.4935 175.3237 95 V 4.7211 8.3643 123.8079 61.4944 32.9366 175.1085 96 V 4.6995 8.8463 120.4966 59.8710 36.3075 174.3216 97 C 5.1268 8.4676 121.7406 58.4895 34.3089 173.0769 98 Y 4.3998 8.9096 122.4200 57.6132 38.2536 176.8967 99 L 3.9511 8.2347 123.4838 58.3910 41.9425 177.6349 100 N 4.7885 7.9488 111.8714 52.9169 38.8851 174.7206 101 D 4.4804 7.9046 119.3469 54.0325 42.2159 177.8419 102 V 3.7405 8.3228 118.0161 64.4393 31.3317 179.0645 103 R 4.2847 8.9610 117.5447 58.9015 29.5905 178.8847 104 S 4.3121 7.8789 115.1685 61.2850 62.8499 176.4085 105 K 4.0391 8.0057 121.8745 59.4655 31.9600 178.8391 106 E 3.9819 7.5954 113.2011 57.5329 29.2305 178.3910 *108 A 4.2754 8.0665 124.1459 52.4631 20.5102 179.6682 109 D 4.3131 8.2502 114.4613 57.5632 41.1626 178.2276 110 V 3.7169 7.9314 117.6875 65.9671 31.4466 176.6588 111 N 4.5334 8.1600 113.6451 52.9122 39.0458 174.8354 112 G 3.8571 7.9591 106.5427 46.8950 0.0000 173.1235 113 I 4.5857 7.4709 110.5229 57.9034 41.0577 175.3853 114 T 4.1687 8.0174 111.2536 61.3812 70.6164 175.3637 115 R 3.9280 8.3930 121.0983 59.5636 30.1341 178.6928 116 S 4.1180 8.0665 114.3602 61.5890 62.9397 176.3451 117 A 3.9893 8.1726 123.1967 55.0952 18.0155 179.5500 118 A 4.0711 8.1277 119.4878 55.2445 18.3962 180.1171 119 G 3.6560 8.5305 104.6717 48.7316 0.0000 176.0980 120 I 3.7151 7.5808 121.3178 64.0877 37.2271 178.1433 121 R 4.0177 7.7477 118.2284 59.4721 30.1701 178.2761 122 I 3.8330 7.9883 119.5109 64.2333 37.1125 178.8474 123 A 3.1009 7.5146 117.8473 53.0166 17.8368 178.9538 *125 Q 4.4120 7.9654 120.6031 57.4616 30.7612 176.7319 126 D 4.3007 8.1607 116.8616 56.4322 40.9524 175.7896 127 H 4.6497 8.3191 115.9924 53.5503 30.0896 173.5152 128 R 3.3829 8.4417 124.7811 59.1010 30.3678 176.9190 129 N 4.5800 7.7421 121.7488 53.1582 38.8461 173.2075 130 S 5.2781 8.0517 119.3722 56.7129 67.1528 172.9945 131 V 4.4522 8.3948 118.2107 61.2034 34.8251 174.0172 132 I 4.8020 8.4841 128.2448 59.6570 39.5747 174.6473 133 V 4.7594 9.0656 127.4556 61.2951 34.0811 174.1811 134 I 4.7883 9.1671 130.4254 59.8941 38.7539 176.4134 135 G 3.8135 9.9866 114.0334 46.2357 0.0000 172.5258 136 N 5.0066 9.1432 117.7774 54.5757 41.2526 173.3311 137 A 4.4627 7.9883 119.6921 50.9458 19.6202 176.5207 138 P 4.2920 0.0000 0.0000 65.8850 31.3999 179.0046 139 T 3.8709 7.8975 107.8747 64.3600 68.7557 176.5275 140 A 3.9608 7.8766 124.1070 54.9082 18.2039 179.2993 141 L 3.9159 7.7945 117.3453 58.2980 42.3213 178.6673 142 L 4.1044 7.9537 118.1782 57.7885 41.6058 178.8446 143 E 4.0951 8.2389 118.2852 58.8898 29.5844 179.1521 144 A 4.1160 7.6849 116.8108 52.6836 18.3674 177.5968 *146 R 3.9660 7.7790 118.6627 57.7754 31.6908 177.2391 *148 I 3.8603 7.7555 118.1080 60.8755 38.8588 178.0054 149 E 4.0241 7.7783 116.9928 58.4715 29.5683 178.0910 150 E 4.0509 8.1785 118.0049 58.1175 29.6849 177.1883 151 N 4.3559 7.4623 113.5299 52.0215 39.7790 174.8220 152 G 3.7329 7.8099 106.2998 46.5619 0.0000 174.4981 153 W 4.8532 7.3233 117.3214 55.9989 28.0578 177.3878 154 Y 4.4094 7.6037 113.8233 59.0521 37.7637 178.0164 155 D 4.4728 8.0191 120.1284 55.0838 40.1300 176.4069 156 I 4.0679 7.6691 122.1786 60.0148 37.6532 173.5885 157 P 5.1343 0.0000 0.0000 61.8935 34.0129 174.5874 158 I 4.9939 8.8944 121.4175 59.8404 40.8562 175.1051 159 V 4.2248 9.3186 128.3962 61.8532 31.4347 173.8390 160 G 4.2772 8.8851 114.8716 43.6422 0.0000 171.4942 161 I 4.8708 8.3489 134.5574 59.9299 37.3596 173.7792 162 P 4.6869 0.0000 0.0000 63.0558 32.3186 176.6338 163 V 4.3248 9.4154 121.2778 60.9797 33.5585 176.9612 164 G 3.5515 6.1150 111.0995 45.5604 0.0000 171.4544 165 F 4.6389 7.4176 120.0611 57.0322 39.4632 176.7013 166 I 3.7463 9.3204 131.0753 65.1350 37.3503 175.7197 167 N 4.2733 8.3250 116.9366 56.2189 36.9130 176.7773 168 A 3.9307 7.8936 122.9803 54.5766 18.5116 179.4975 169 S 4.0732 8.4158 114.0812 61.7171 62.8941 176.9701 170 K 3.9002 8.3786 122.2340 59.4003 31.9728 178.7019 171 A 3.9500 7.9796 121.0931 55.2226 18.3094 179.8498 172 K 3.9351 8.2385 116.9937 59.1936 31.9146 179.3052 173 E 3.9604 8.3935 120.2846 59.1113 29.3399 179.0452 174 G 3.5499 7.9771 104.7880 47.5946 0.0000 174.8797 175 L 3.8975 7.6799 122.8739 58.0943 41.8459 179.2522 176 V 2.8374 7.2174 116.4634 65.6495 31.4065 177.3903 177 S 4.4509 7.3804 112.7838 58.7643 63.2729 174.3704 178 S 4.4162 7.5006 116.4969 58.2983 63.8849 173.3993 179 H 5.0044 8.5142 114.7456 55.8222 28.8663 174.8366 180 I 4.7414 7.4958 120.0209 59.7315 38.7854 175.6611 181 E 4.5983 8.8435 124.1482 56.8941 30.9057 175.4301 182 Y 5.8240 8.4294 120.5423 57.5499 42.2756 172.6615 183 I 4.5984 7.7785 118.0605 59.7005 41.8773 173.5161 184 S 4.8613 9.3959 121.9869 57.7590 66.7412 172.5702 185 V 4.8714 8.1218 120.2275 60.7891 33.4756 175.0589 186 E 3.9515 9.1820 129.0179 58.0122 29.8988 177.3243 187 G 3.8432 8.7090 108.2168 44.6970 0.0000 172.6941 188 H 4.5758 8.7659 114.1440 58.2887 29.3543 176.1679 189 R 4.0696 8.0709 117.3458 55.8447 30.9391 177.3219 190 G 3.8930 8.3235 106.8270 46.3965 0.0000 171.3096 191 G 4.3964 7.7654 106.5556 43.9176 0.0000 175.2669 192 S 4.1225 8.8581 116.5195 61.0431 62.8331 175.1058 193 P 4.2700 0.0000 0.0000 65.7937 31.1914 178.6849 194 I 3.7169 7.7341 117.5116 64.3032 36.6468 178.0429 195 A 4.0171 8.0793 121.3347 55.3516 18.1888 179.6083 196 A 3.9982 8.6582 119.7531 55.2122 18.3018 179.9966 197 S 4.0723 8.2756 112.8983 61.5804 62.7786 176.8597 198 I 3.8348 7.5335 122.3621 64.1515 37.1749 178.2594 199 V 3.8379 7.5699 118.1821 66.2266 31.4258 177.7026 200 N 4.3244 8.3868 116.4477 56.3730 38.0529 177.5164 201 G 3.7834 8.5908 107.2778 47.8244 0.0000 175.5578 202 F 4.5373 8.6458 119.7988 59.7679 39.0297 177.6288 203 G 4.1376 8.0439 107.4320 47.3758 0.0000 175.4608 204 R 3.7462 7.1948 119.7549 58.4459 29.9641 177.5578 205 F 4.8231 7.8902 115.0582 57.1959 39.4196 175.8020 206 L 4.2949 7.7498 124.2524 54.9833 41.5698 176.4929 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 17 S 8.19 4.56 0.00 3.94 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 7.64 3.91 0.00 1.80 1.70 0.89 0.45 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 19 A 8.27 4.00 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 20 A 7.80 4.04 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 I 7.38 2.99 1.79 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 1.29 0.75 0.83 0.00 0.00 22 D 7.52 4.43 0.00 2.58 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 23 S 7.22 4.39 0.00 3.98 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *25 I 7.60 3.80 1.84 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 1.27 0.68 0.92 0.00 0.00 26 D 8.71 4.32 0.00 2.66 2.58 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 0.00 27 P 0.00 4.23 0.00 2.07 2.11 0.00 3.72 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 28 D 9.08 4.39 0.00 2.81 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 29 I 7.80 4.01 1.99 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.48 1.00 0.00 0.00 30 S 8.43 4.58 0.00 3.77 3.69 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 31 G 8.37 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 0.00 0.00 0.00 32 P 0.00 4.06 0.00 0.49 0.49 0.00 2.86 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.44 0.00 *34 R 8.05 4.23 0.00 1.94 1.94 0.00 3.29 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 35 H 8.28 4.24 0.00 3.37 3.65 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 I 7.63 3.61 1.79 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.76 1.02 0.00 0.00 37 V 7.72 3.64 2.22 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 1.11 0.00 0.00 1.00 0.00 0.00 38 V 7.78 3.66 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 0.86 0.00 0.00 0.95 0.00 0.00 39 K 8.02 4.01 0.00 1.98 1.87 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.39 7.81 40 A 7.99 4.16 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.90 3.71 2.05 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 1.47 1.30 1.03 0.00 0.00 42 H 8.44 4.26 0.00 3.20 3.60 0.00 5.95 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.28 4.08 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.54 4.21 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 G 7.66 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 46 D 7.60 4.48 0.00 2.75 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 F 8.78 4.64 0.00 3.09 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 48 A 8.38 4.11 1.48 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 0.00 0.00 49 I 7.59 3.98 1.91 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 1.49 0.73 0.95 0.00 0.00 50 A 8.03 3.97 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 4.64 0.00 2.20 2.18 0.00 3.91 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 2.00 2.01 0.00 52 L 7.79 4.45 0.00 1.90 1.87 1.00 0.85 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 53 I 7.21 4.53 1.95 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.82 1.04 0.00 0.00 54 R 9.36 4.80 0.00 1.77 1.88 0.00 3.24 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.54 0.00 55 Y 7.56 4.42 0.00 2.58 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 56 S 7.91 4.39 0.00 4.05 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 57 D 9.02 4.47 0.00 2.75 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 G 7.96 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 0.00 0.00 0.00 59 F 8.39 4.14 0.00 3.06 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 60 F 8.59 4.19 0.00 2.96 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 61 K 8.32 3.85 0.00 1.88 1.79 0.00 1.81 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*80 V 7.97 4.00 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 0.98 0.00 0.00 0.97 0.00 0.00 81 R 7.92 3.87 0.00 1.94 2.09 0.00 3.05 0.00 0.00 3.31 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 82 A 8.57 4.20 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 G 7.66 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 I 7.23 3.99 1.86 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 1.30 0.74 0.85 0.00 0.00 85 Y 7.32 4.73 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 86 S 7.67 4.13 0.00 3.81 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 87 R 8.81 3.91 0.00 1.93 1.95 0.00 3.42 0.00 0.00 3.63 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.70 0.00 88 P 0.00 4.23 0.00 2.29 2.10 0.00 3.62 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 89 V 7.66 3.50 2.22 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 1.13 0.00 0.00 1.00 0.00 0.00 90 L 8.02 4.12 0.00 1.66 1.74 1.03 1.01 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 91 E 8.37 4.12 0.00 2.12 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 2.35 2.36 0.00 92 R 7.64 4.56 0.00 1.92 1.93 0.00 3.18 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.81 0.00 93 N 8.43 5.24 0.00 2.62 2.71 0.00 0.00 6.89 8.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 R 8.47 4.56 0.00 1.80 1.81 0.00 3.14 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 95 V 8.36 4.72 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 0.86 0.00 0.00 0.92 0.00 0.00 96 V 8.85 4.70 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 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0.00 140 A 7.88 3.96 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 0.00 141 L 7.79 3.92 0.00 1.63 1.89 0.93 0.94 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 0.00 142 L 7.95 4.10 0.00 1.79 1.70 0.91 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 143 E 8.24 4.10 0.00 1.98 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.35 0.00 144 A 7.68 4.12 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 *146 R 7.78 3.97 0.00 1.96 2.02 0.00 3.16 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 *148 I 7.76 3.86 1.77 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 1.47 0.69 0.57 0.00 0.00 149 E 7.78 4.02 0.00 1.91 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 2.49 2.31 0.00 150 E 8.18 4.05 0.00 1.75 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.31 0.00 151 N 7.46 4.36 0.00 1.44 1.50 0.00 0.00 6.94 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 0.00 152 G 7.81 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 0.00 153 W 7.32 4.85 0.00 3.29 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 0.00 154 Y 7.60 4.41 0.00 3.21 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 0.00 155 D 8.02 4.47 0.00 2.77 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 0.00 156 I 7.67 4.07 2.06 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.56 1.03 0.00 0.00 157 P 0.00 5.13 0.00 2.21 2.16 0.00 3.77 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 1.98 1.83 0.00 158 I 8.89 4.99 2.01 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 1.19 0.79 1.01 0.00 0.00 159 V 9.32 4.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 1.12 0.00 0.00 160 G 8.89 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 0.00 161 I 8.35 4.87 1.96 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 1.32 1.01 0.92 0.00 0.00 162 P 0.00 4.69 0.00 2.05 2.04 0.00 3.86 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 163 V 9.42 4.32 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 0.70 0.00 0.00 0.94 0.00 0.00 164 G 6.11 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 F 7.42 4.64 0.00 3.13 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 I 9.32 3.75 1.93 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 1.74 1.91 0.96 0.00 0.00 167 N 8.33 4.27 0.00 3.03 3.10 0.00 0.00 6.08 7.67 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 0.00 168 A 7.89 3.93 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 0.00 169 S 8.42 4.07 0.00 4.05 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 0.00 170 K 8.38 3.90 0.00 1.90 1.80 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.45 7.81 171 A 7.98 3.95 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 0.00 172 K 8.24 3.94 0.00 1.87 1.84 0.00 1.77 0.00 0.00 1.57 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.54 7.81 173 E 8.39 3.96 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 174 G 7.98 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 L 7.68 3.90 0.00 1.79 1.39 0.89 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 176 V 7.22 2.84 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 0.92 0.00 0.00 0.86 0.00 0.00 177 S 7.38 4.45 0.00 3.88 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 0.00 178 S 7.50 4.42 0.00 4.14 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 0.00 179 H 8.51 5.00 0.00 3.03 3.15 0.00 5.68 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 I 7.50 4.74 2.02 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.75 1.08 0.00 0.00 181 E 8.84 4.60 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.35 0.00 182 Y 8.43 5.82 0.00 3.22 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 0.00 183 I 7.78 4.60 0.56 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 1.14 1.49 0.66 0.00 0.00 184 S 9.40 4.86 0.00 4.02 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 V 8.12 4.87 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.97 0.00 0.00 186 E 9.18 3.95 0.00 1.87 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 2.35 2.29 0.00 187 G 8.71 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 0.00 188 H 8.77 4.58 0.00 3.27 3.37 0.00 5.65 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 R 8.07 4.07 0.00 1.82 1.88 0.00 3.49 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 190 G 8.32 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 0.00 191 G 7.77 4.40 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 0.00 192 S 8.86 4.12 0.00 3.89 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 0.00 193 P 0.00 4.27 0.00 2.17 2.14 0.00 3.55 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 2.13 2.21 0.00 194 I 7.73 3.72 2.03 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 1.76 1.16 0.95 0.00 0.00 195 A 8.08 4.02 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 0.00 196 A 8.66 4.00 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 0.00 197 S 8.28 4.07 0.00 4.12 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 0.00 198 I 7.53 3.83 2.16 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.75 1.25 0.00 0.00 199 V 7.57 3.84 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 1.00 0.00 0.00 0.99 0.00 0.00 200 N 8.39 4.32 0.00 2.84 2.66 0.00 0.00 6.96 7.11 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 0.00 201 G 8.59 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 0.00 202 F 8.65 4.54 0.00 3.38 3.19 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 0.00 203 G 8.04 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 0.00 204 R 7.19 3.75 0.00 1.52 1.45 0.00 2.34 0.00 0.00 2.74 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.21 0.00 205 F 7.89 4.82 0.00 3.16 3.19 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 0.00 206 L 7.75 4.29 0.00 1.70 1.60 0.97 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.