NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 23 I 4.6178 7.8676 121.4027 61.4659 39.0004 173.7474 24 V 4.3398 8.3594 127.8826 59.1628 34.0905 173.6873 25 G 4.2439 9.3008 112.3405 46.0259 0.0000 173.6748 26 V 4.4586 9.0779 126.1170 61.0700 34.2724 176.1254 27 G 4.5314 8.2058 116.3167 45.2183 0.0000 172.4422 28 T 4.6882 8.6891 115.0586 62.2071 71.5841 173.0792 29 G 3.9166 8.6691 108.6511 44.4387 0.0000 174.9537 30 S 4.4054 8.3794 112.8548 61.5124 64.0321 176.0913 31 T 4.4939 6.5679 120.5873 62.9615 67.0003 175.2165 *47 E 4.4730 8.9783 129.2415 55.4940 31.5634 175.9815 48 G 3.9796 6.9956 104.8218 46.1740 0.0000 169.8842 49 A 5.1952 8.1378 122.3434 50.9101 23.1294 175.9568 50 V 4.6336 8.8572 118.6579 61.2940 34.1737 174.2261 51 S 5.4052 8.7760 122.2378 56.6645 64.6321 173.6756 52 S 4.7869 9.0621 120.3275 59.0427 64.0477 173.7108 53 S 4.8906 7.8160 113.9130 57.2004 65.7206 174.3357 54 D 4.3984 8.7693 121.7178 57.5944 40.7137 178.2839 55 A 4.0154 7.2690 114.9064 53.3105 17.8502 176.9414 *68 F 4.6037 7.7230 115.4175 58.1953 40.3108 174.8640 69 D 4.6512 9.3306 123.9337 53.7635 41.6744 177.5742 70 L 3.9787 8.6367 124.1159 58.3824 42.2121 178.9068 71 N 4.4965 8.1087 114.2304 55.5491 38.5468 175.5390 72 E 4.2416 8.1512 116.7056 57.3721 29.9840 176.7860 73 V 4.4332 7.5856 111.6613 59.4700 34.5085 175.1572 74 D 4.8205 8.1523 119.2739 53.1120 40.2309 175.8472 75 S 4.5677 7.2745 111.7076 57.5445 65.1654 173.6168 76 L 4.7229 8.0498 124.1733 52.9164 45.0175 177.5940 77 G 3.7740 8.4619 111.8771 48.9207 0.0000 173.2170 78 I 5.3644 7.6294 113.2326 58.8129 42.1206 172.8543 79 Y 4.9767 8.8633 123.4050 55.8878 41.7594 173.9712 80 V 4.4327 7.9699 127.3820 61.2523 33.7025 173.9432 81 D 4.4917 8.1978 126.3807 53.3423 45.3456 174.6474 82 G 4.9513 8.2127 108.5977 45.1127 0.0000 172.5088 83 A 4.6100 7.9869 120.2376 51.0464 21.9587 176.2694 84 D 4.1828 8.3511 120.2115 56.7400 41.2657 177.1475 85 E 4.9089 7.5891 114.6204 54.8517 34.0116 174.8786 86 I 4.8173 8.7896 122.2983 59.6070 41.8122 174.3989 87 N 6.0839 8.2153 127.2599 50.5225 39.3980 175.0768 88 G 3.6088 8.7312 106.5391 48.2275 0.0000 174.1833 89 H 4.3884 8.1522 116.5330 57.7595 29.7081 175.5643 *91 Q 4.4386 7.3504 115.3651 55.8322 31.0081 173.2547 *93 I 4.4410 7.9208 118.6449 61.7066 38.9186 175.5235 94 K 4.8424 9.2904 124.9329 54.9377 36.0003 177.1817 95 G 4.2181 9.2460 108.2111 45.2163 0.0000 175.8023 96 G 4.2556 8.6312 109.3675 47.8746 0.0000 175.0151 97 G 3.4327 7.8796 107.8383 46.4769 0.0000 175.5231 *99 A 4.4282 8.5189 126.4452 51.5513 20.3788 178.1559 100 L 4.0532 8.8422 113.3136 59.8438 42.0165 180.2809 101 T 3.8707 7.8862 114.5184 66.5999 68.5638 176.5096 102 R 3.9039 8.0381 120.1051 59.5503 30.0904 178.1512 103 E 4.0438 8.4846 118.3720 59.4787 29.6415 179.3714 104 K 3.9145 8.2689 119.6159 59.2492 31.9552 179.0114 105 I 3.6344 7.6326 119.4304 64.4455 37.3497 178.1265 106 I 3.6888 7.7133 120.3438 64.2707 36.9606 178.3830 107 A 3.9497 7.7732 121.7560 54.9687 17.9642 179.6992 108 S 4.2196 7.6278 111.4518 60.9001 62.9684 176.1035 109 V 3.8596 7.6533 121.3018 63.2994 31.6367 175.5448 110 A 4.5365 6.9850 120.1244 51.7564 19.1355 177.2043 111 E 4.2483 9.0774 122.6271 58.7654 30.3071 177.9050 112 K 4.9292 8.2779 118.6191 54.4671 35.9682 175.2162 113 F 4.9293 10.0092 128.1008 57.1337 41.0894 174.4720 114 I 4.8345 8.6597 128.6703 59.8485 38.7440 174.3649 115 C 5.1646 9.3359 129.8581 58.7134 33.0364 172.1390 116 I 4.9959 8.6405 119.9420 59.1876 39.6215 174.3555 117 A 4.8929 8.5282 126.8998 50.6611 23.2932 175.4983 118 D 4.8213 8.5876 119.3792 52.3688 40.8184 177.4298 119 A 4.0763 8.2797 122.6364 54.8586 18.4078 180.1102 120 S 4.2500 8.0210 109.9975 60.7942 63.1325 175.6544 121 K 4.1218 7.8752 119.6757 57.7003 32.2475 176.6349 122 Q 4.6015 7.7926 119.3054 55.5533 29.3676 175.7863 123 V 4.5996 8.5106 115.0446 59.7959 35.9754 176.2896 124 D 4.3923 8.7375 121.1507 56.2486 41.2343 177.4355 125 I 4.5678 7.3698 118.2216 58.9719 40.1457 175.3946 126 L 4.3143 8.2864 125.1724 55.1644 42.1605 176.4840 127 G 3.4106 8.9627 113.9640 45.6546 0.0000 175.2820 128 K 3.9903 8.1392 121.9034 59.2650 32.3163 176.8524 129 F 4.1484 8.5658 120.8870 56.9074 39.7243 172.9782 130 P 4.3955 0.0000 0.0000 62.5031 32.0165 175.7079 131 L 4.3112 8.7844 127.1036 54.3089 43.1804 174.2408 132 P 5.0548 0.0000 0.0000 62.5133 33.0071 175.5035 133 V 4.7940 8.8006 123.4265 61.1222 34.7611 173.7159 134 E 4.8646 9.3002 130.1113 55.5280 31.1319 175.1468 135 V 4.9567 8.9313 126.3144 60.7111 35.4181 174.5952 136 I 4.2611 8.4880 128.3405 59.8085 37.7526 175.7846 137 P 4.1213 0.0000 0.0000 62.5854 31.3258 177.4603 *139 A 4.2341 8.0810 119.2922 51.4116 20.6105 179.1484 140 R 3.8118 8.0262 117.7867 59.7603 30.0432 178.7684 141 S 4.0502 7.9474 113.0754 61.1792 62.9556 176.0434 142 A 3.9453 7.8639 123.9732 54.9801 18.1444 179.6345 143 V 3.5091 8.2369 117.0239 65.9452 31.5766 177.9601 144 A 3.9740 8.1592 120.6899 55.3953 18.2544 179.7409 145 R 3.8558 8.0989 116.4431 59.5403 30.1162 179.1275 146 Q 3.9995 7.9399 119.3119 59.0110 29.0748 178.0531 147 L 4.0333 8.2834 120.5071 57.5962 41.4973 179.6288 148 V 4.2962 7.9037 119.7015 65.5908 31.2686 178.2185 149 K 3.9577 7.7066 116.9144 59.2931 31.9657 178.4421 150 L 4.3548 7.6340 116.4736 55.0722 41.7149 177.6254 151 G 3.9492 8.3826 108.2750 44.8506 0.0000 173.3260 152 G 4.0792 8.1706 107.1874 44.4086 0.0000 173.0505 153 R 4.6604 8.7379 120.3830 53.4485 31.4422 172.4211 154 P 4.9379 0.0000 0.0000 62.3966 32.7444 175.4703 155 E 4.6236 9.1361 123.5473 54.1997 32.5469 174.0964 156 Y 4.6696 8.8707 128.9441 58.1617 39.7331 176.0547 157 R 4.1672 9.4450 128.1965 55.5577 30.1021 175.1401 158 Q 3.3888 8.1947 125.0088 56.7846 29.2593 177.2323 159 G 3.8356 8.6071 109.7873 45.5159 0.0000 172.9815 160 V 4.4050 7.1004 116.8761 60.5983 33.9639 175.0085 161 V 4.6223 8.0714 124.8468 61.1077 34.6272 174.9873 162 T 4.4394 8.5168 115.8310 60.1698 70.0629 175.4368 163 D 4.3271 8.5814 120.6213 56.1258 39.2031 176.9150 164 N 4.5848 8.2054 115.2150 52.9453 38.7714 175.3792 165 G 3.8443 8.3480 106.6424 46.1019 0.0000 173.2708 166 N 4.9404 7.8361 116.9514 51.7389 41.7912 174.2493 167 V 4.5574 8.2726 113.2001 60.1788 35.0882 175.1355 168 I 5.0754 8.2977 121.2851 59.6921 40.5577 174.7024 169 L 5.1497 9.0207 126.9575 53.2768 43.8901 175.0610 170 D 5.1268 9.1818 125.0165 53.0439 42.8924 175.6443 171 V 4.6202 8.7492 124.6770 61.9049 33.0474 174.5445 172 H 4.7626 9.3754 126.0720 55.5920 31.1819 172.5308 173 G 3.6605 8.6264 111.0254 45.7865 0.0000 171.4689 *175 E 3.9749 7.9928 120.6880 56.4798 29.6632 176.0754 176 I 4.1641 8.2489 125.8161 60.0857 35.8981 176.2165 177 L 4.2141 8.1911 125.6643 56.5493 42.0550 177.2603 178 D 4.7010 7.5624 116.6233 51.0840 41.2533 172.3971 179 P 4.4209 0.0000 0.0000 65.1027 32.1675 178.2146 180 I 3.7845 7.9332 118.4197 64.4594 37.2716 178.8561 181 A 4.2048 8.1610 120.1670 52.8522 17.7606 178.7086 *183 E 4.2356 8.3335 121.4321 57.8534 31.4216 177.8093 184 N 4.3140 8.4539 116.1496 56.2427 38.2650 177.3198 185 A 4.0052 8.0239 121.4468 55.1860 18.7652 179.4552 186 I 3.9014 7.6612 117.8703 64.4001 37.2019 178.0220 187 N 4.4595 8.3441 115.9996 55.3903 38.4136 176.5467 188 A 4.3193 7.5576 121.1866 52.4176 19.0086 177.2123 189 I 4.0211 7.3487 119.9960 59.4318 37.6201 173.8752 190 P 4.4897 0.0000 0.0000 64.0822 31.7177 176.3114 191 G 4.0280 9.0179 110.8444 45.4498 0.0000 173.5389 192 V 4.0833 7.4329 119.9775 62.9149 32.0313 175.3806 193 V 4.0491 8.8192 128.5305 65.1866 31.8622 175.9563 194 T 4.8913 7.6783 115.7332 61.9072 73.5118 172.5160 195 V 4.7122 8.3184 123.7807 59.3964 34.4389 176.3227 196 G 4.5776 9.1256 110.5790 46.2624 0.0000 172.6576 197 L 4.8718 7.8358 121.0672 53.3724 41.9816 177.3280 198 F 4.5500 8.8611 123.7771 55.7478 38.1734 175.3134 199 A 4.4741 8.3082 125.1347 53.5626 21.1321 177.6687 200 N 4.3454 8.8329 112.3518 55.4516 38.6421 175.0317 201 R 4.4041 7.7848 117.1807 54.4743 31.4695 173.8212 202 G 4.1677 8.1879 117.6586 43.9416 0.0000 171.2596 203 A 4.1792 8.1370 122.5186 52.2040 19.3273 177.3039 204 D 4.7916 9.0394 120.7878 55.5455 42.4130 177.5117 205 V 4.7919 7.7932 116.4613 60.9408 35.5270 174.0314 206 A 5.2195 9.3396 128.3554 50.0800 22.3525 174.7982 207 L 5.0284 9.3195 122.3907 53.0634 44.5396 175.5502 208 I 4.8279 8.4996 125.4659 59.2524 40.0219 175.2879 209 G 3.9389 9.0501 115.8652 46.0547 0.0000 172.6616 210 T 4.9036 8.4023 116.3878 58.5491 71.8873 173.7181 211 P 4.2887 0.0000 0.0000 65.4526 31.4050 177.6530 212 D 4.4828 8.3322 116.2236 54.9167 41.5888 176.6141 213 G 3.7188 6.7916 105.4887 44.0210 0.0000 171.3316 214 V 4.4397 7.9699 121.3719 61.9880 32.4587 176.4102 215 K 4.5415 8.6714 128.0220 55.3414 34.0440 175.5492 216 T 5.0169 8.5081 121.5312 61.9584 70.4900 173.7912 217 I 4.4587 8.7262 127.7560 59.3484 40.0992 176.3365 218 V 4.0618 8.3878 125.6201 62.9543 31.5359 175.0170 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 23 I 7.87 4.62 1.78 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 1.37 0.79 0.92 0.00 0.00 24 V 8.36 4.34 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 0.68 0.00 0.00 0.92 0.00 0.00 25 G 9.30 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 26 V 9.08 4.46 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 0.91 0.00 0.00 0.97 0.00 0.00 27 G 8.21 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 T 8.69 4.69 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 29 G 8.67 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 S 8.38 4.41 0.00 3.98 4.01 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 31 T 6.57 4.49 4.19 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 1.23 0.00 0.00 *47 E 8.98 4.47 0.00 2.01 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 2.44 2.53 0.00 48 G 7.00 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 49 A 8.14 5.20 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 50 V 8.86 4.63 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 1.05 0.00 0.00 1.08 0.00 0.00 51 S 8.78 5.41 0.00 3.92 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 52 S 9.06 4.79 0.00 4.10 4.34 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 53 S 7.82 4.89 0.00 3.93 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 D 8.77 4.40 0.00 2.70 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 55 A 7.27 4.02 1.27 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 *68 F 7.72 4.60 0.00 3.11 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 69 D 9.33 4.65 0.00 2.72 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 70 L 8.64 3.98 0.00 1.73 1.68 0.90 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 71 N 8.11 4.50 0.00 2.77 2.88 0.00 0.00 6.93 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 72 E 8.15 4.24 0.00 2.22 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 2.42 2.37 0.00 73 V 7.59 4.43 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 0.47 0.00 0.00 0.93 0.00 0.00 74 D 8.15 4.82 0.00 2.71 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 75 S 7.27 4.57 0.00 3.77 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 76 L 8.05 4.72 0.00 1.62 1.52 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 77 G 8.46 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 78 I 7.63 5.36 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 1.23 1.26 0.92 0.00 0.00 79 Y 8.86 4.98 0.00 2.92 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 80 V 7.97 4.43 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.81 0.00 0.00 81 D 8.20 4.49 0.00 1.65 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 82 G 8.21 4.95 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 83 A 7.99 4.61 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 D 8.35 4.18 0.00 2.05 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 E 7.59 4.91 0.00 1.73 1.75 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 2.19 2.24 0.00 86 I 8.79 4.82 1.80 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.77 0.87 0.00 0.00 87 N 8.22 6.08 0.00 2.73 2.83 0.00 0.00 6.90 7.85 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 88 G 8.73 3.61 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 0.00 0.00 0.00 89 H 8.15 4.39 0.00 3.41 3.31 0.00 5.69 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *91 Q 7.35 4.44 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.68 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 *93 I 7.92 4.44 1.85 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.63 1.03 0.00 0.00 94 K 9.29 4.84 0.00 1.21 1.45 0.00 1.12 0.00 0.00 0.61 0.00 0.00 2.89 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.05 0.89 7.81 95 G 9.25 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 G 8.63 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 0.00 0.00 0.00 97 G 7.88 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 0.00 0.00 0.00 *99 A 8.52 4.43 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 0.00 100 L 8.84 4.05 0.00 1.86 1.79 1.20 0.87 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 0.00 101 T 7.89 3.87 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 1.22 0.00 0.00 102 R 8.04 3.90 0.00 1.91 2.12 0.00 3.21 0.00 0.00 3.52 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.75 0.00 103 E 8.48 4.04 0.00 2.48 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 2.57 2.58 0.00 104 K 8.27 3.91 0.00 1.86 1.66 0.00 1.29 0.00 0.00 1.40 0.00 0.00 2.61 0.00 0.00 2.35 0.00 0.00 0.00 0.00 1.00 0.21 7.81 105 I 7.63 3.63 1.96 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 1.48 0.71 0.87 0.00 0.00 106 I 7.71 3.69 1.33 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 1.39 0.56 0.67 0.00 0.00 107 A 7.77 3.95 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 0.00 0.00 0.00 0.00 0.00 108 S 7.63 4.22 0.00 4.02 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 0.00 109 V 7.65 3.86 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 0.99 0.00 0.00 0.94 0.00 0.00 110 A 6.98 4.54 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 0.00 111 E 9.08 4.25 0.00 2.08 2.05 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 2.36 2.45 0.00 112 K 8.28 4.93 0.00 1.70 1.72 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.52 7.81 113 F 10.01 4.93 0.00 3.19 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 0.00 114 I 8.66 4.83 1.78 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 1.10 0.79 0.90 0.00 0.00 115 C 9.34 5.16 0.00 3.22 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 I 8.64 5.00 1.83 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.57 0.86 0.00 0.00 117 A 8.53 4.89 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 0.00 118 D 8.59 4.82 0.00 2.90 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 0.00 119 A 8.28 4.08 1.30 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 0.00 0.00 120 S 8.02 4.25 0.00 4.02 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 K 7.88 4.12 0.00 1.79 1.80 0.00 1.78 0.00 0.00 1.59 0.00 0.00 2.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.56 1.59 7.81 122 Q 7.79 4.60 0.00 2.14 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.71 0.00 0.00 0.00 0.00 0.00 2.37 2.31 0.00 123 V 8.51 4.60 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 0.83 0.00 0.00 0.99 0.00 0.00 124 D 8.74 4.39 0.00 2.67 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 0.00 125 I 7.37 4.57 1.89 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 1.43 0.62 0.98 0.00 0.00 126 L 8.29 4.31 0.00 1.73 1.62 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 127 G 8.96 3.41 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 0.00 128 K 8.14 3.99 0.00 1.76 2.09 0.00 1.81 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.46 7.81 129 F 8.57 4.15 0.00 3.11 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 0.00 130 P 0.00 4.40 0.00 1.64 1.49 0.00 2.45 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 131 L 8.78 4.31 0.00 1.84 1.59 1.01 0.80 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 0.00 132 P 0.00 5.05 0.00 2.22 2.04 0.00 3.78 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.24 0.00 133 V 8.80 4.79 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 1.10 0.00 0.00 0.97 0.00 0.00 134 E 9.30 4.86 0.00 2.11 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 2.30 2.29 0.00 135 V 8.93 4.96 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 0.97 0.00 0.00 0.94 0.00 0.00 136 I 8.49 4.26 1.87 0.00 0.00 0.87 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 146 Q 7.94 4.00 0.00 2.10 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 147 L 8.28 4.03 0.00 1.86 1.72 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 148 V 7.90 4.30 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 1.38 0.00 0.00 0.95 0.00 0.00 149 K 7.71 3.96 0.00 1.98 1.87 0.00 1.96 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.69 7.81 150 L 7.63 4.35 0.00 1.78 1.71 0.93 1.03 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 0.00 151 G 8.38 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 0.00 152 G 8.17 4.08 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 0.00 0.00 0.00 153 R 8.74 4.66 0.00 1.86 1.81 0.00 3.07 0.00 0.00 3.20 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 154 P 0.00 4.94 0.00 2.13 2.05 0.00 3.77 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.10 0.00 155 E 9.14 4.62 0.00 1.99 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 2.22 2.26 0.00 156 Y 8.87 4.67 0.00 2.81 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 0.00 157 R 9.44 4.17 0.00 2.08 1.83 0.00 3.16 0.00 0.00 3.17 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 158 Q 8.19 3.39 0.00 1.95 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.90 0.00 0.00 0.00 0.00 0.00 2.10 2.36 0.00 159 G 8.61 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 0.00 160 V 7.10 4.40 2.05 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 0.81 0.00 0.00 0.90 0.00 0.00 161 V 8.07 4.62 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 1.01 0.00 0.00 0.96 0.00 0.00 162 T 8.52 4.44 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 1.25 0.00 0.00 163 D 8.58 4.33 0.00 2.82 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 N 8.21 4.58 0.00 2.91 2.90 0.00 0.00 6.97 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 0.00 165 G 8.35 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 0.00 166 N 7.84 4.94 0.00 2.87 3.01 0.00 0.00 6.92 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 V 8.27 4.56 2.44 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 0.92 0.00 0.00 1.01 0.00 0.00 168 I 8.30 5.08 1.94 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 1.41 0.78 1.10 0.00 0.00 169 L 9.02 5.15 0.00 1.60 1.61 0.96 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 170 D 9.18 5.13 0.00 2.60 2.52 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 2.19 2.28 0.00 180 I 7.93 3.78 1.86 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 1.45 0.68 0.94 0.00 0.00 181 A 8.16 4.20 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *183 E 8.33 4.24 0.00 2.11 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 2.25 2.32 0.00 184 N 8.45 4.31 0.00 2.90 2.84 0.00 0.00 6.96 8.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 A 8.02 4.01 1.35 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 0.00 0.00 0.00 186 I 7.66 3.90 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 1.65 0.90 0.92 0.00 0.00 187 N 8.34 4.46 0.00 2.77 2.86 0.00 0.00 7.04 8.09 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 0.00 188 A 7.56 4.32 1.35 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 0.00 0.00 0.00 189 I 7.35 4.02 1.95 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 1.30 1.10 0.91 0.00 0.00 190 P 0.00 4.49 0.00 2.03 1.99 0.00 3.63 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 191 G 9.02 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 0.00 192 V 7.43 4.08 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 0.76 0.00 0.00 0.93 0.00 0.00 193 V 8.82 4.05 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.94 0.00 0.00 194 T 7.68 4.89 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 1.20 0.00 0.00 195 V 8.32 4.71 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 0.81 0.00 0.00 1.00 0.00 0.00 196 G 9.13 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 0.00 0.00 0.00 0.00 197 L 7.84 4.87 0.00 1.72 1.68 1.02 0.66 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 0.00 198 F 8.86 4.55 0.00 2.88 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 0.00 199 A 8.31 4.47 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 0.00 200 N 8.83 4.35 0.00 2.66 2.87 0.00 0.00 6.79 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 0.00 201 R 7.78 4.40 0.00 1.68 1.76 0.00 3.52 0.00 0.00 3.35 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 202 G 8.19 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 0.00 0.00 0.00 0.00 203 A 8.14 4.18 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 204 D 9.04 4.79 0.00 2.77 2.78 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 0.00 205 V 7.79 4.79 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 1.15 0.00 0.00 0.96 0.00 0.00 206 A 9.34 5.22 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 0.00 207 L 9.32 5.03 0.00 1.52 1.56 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 208 I 8.50 4.83 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 1.15 1.15 0.90 0.00 0.00 209 G 9.05 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 0.00 210 T 8.40 4.90 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 211 P 0.00 4.29 0.00 2.06 2.16 0.00 3.66 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 212 D 8.33 4.48 0.00 2.65 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 0.00 213 G 6.79 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 0.00 214 V 7.97 4.44 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 0.81 0.00 0.00 0.92 0.00 0.00 215 K 8.67 4.54 0.00 1.77 1.70 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.40 7.81 216 T 8.51 5.02 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 1.22 0.00 0.00 217 I 8.73 4.46 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 1.11 0.53 0.91 0.00 0.00 218 V 8.39 4.06 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 0.80 0.00 0.00 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.