NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1A G 3.8797 8.3544 109.7342 45.2676 0.0000 173.4716 1B S 3.4880 7.1178 113.2708 55.7363 63.2620 171.4183 1C H 4.7305 8.6012 122.2256 54.1254 31.7115 172.8793 2 R 4.4450 8.2644 118.0320 55.8200 31.9302 177.3548 3 L 4.1422 8.8908 124.9882 58.1512 42.1000 179.4196 4 D 4.3649 8.2744 119.3680 56.4631 39.5777 178.3016 5 K 3.9701 8.2232 121.1112 59.0262 31.9127 178.3152 6 F 4.1267 8.3181 120.6979 61.4839 39.4664 177.3203 7 I 3.5235 8.1387 119.1857 64.0987 36.7983 178.2000 8 A 3.8717 8.4646 122.0809 55.1200 18.0482 179.2276 9 Q 3.8082 7.7254 116.4663 59.6343 29.2464 178.5571 10 Q 3.8686 7.6550 117.6447 58.3603 28.7121 178.0617 11 L 4.2482 7.7282 118.0844 54.0303 42.1352 177.2497 12 G 3.7532 7.9387 106.4885 46.4771 0.0000 173.3606 13 V 4.4210 7.4454 112.3538 58.6504 34.8923 175.8299 14 S 4.5172 8.0976 115.0061 57.9158 65.3081 174.9932 15 R 3.6589 8.5162 122.4935 59.5114 29.2681 178.7447 16 A 3.9914 7.9322 120.3061 55.2120 18.4581 179.4525 17 I 3.8233 8.1262 118.4005 63.9051 37.2364 178.2740 18 A 4.0566 8.8134 122.6195 55.1803 18.2532 179.5680 19 G 3.7436 8.3233 104.4902 48.2563 0.0000 175.2450 20 R 3.8838 7.5327 120.2224 59.4926 30.0991 178.1113 21 E 4.0712 8.4346 117.9848 59.6574 29.4406 179.8779 22 I 3.8549 7.7098 119.6402 64.6025 37.0978 178.7286 23 R 4.2272 7.7410 116.4924 58.4275 29.8472 178.5764 24 G 3.8405 7.7002 103.3507 44.1410 0.0000 172.9550 25 N 4.2302 8.0188 116.2097 54.7451 36.7994 174.8926 26 R 4.5625 7.7049 112.1201 55.7317 32.4040 175.7238 27 V 4.9615 7.7678 119.7307 61.3079 34.5467 174.1222 28 T 5.2169 9.2853 121.8351 60.2292 71.1857 172.7845 29 V 4.7112 8.6062 125.7610 60.6008 34.7245 175.2821 30 D 4.4514 9.9804 125.9042 55.3987 38.9551 174.6168 31 G 3.9539 8.5241 102.9174 45.9049 0.0000 173.7459 32 E 4.6972 8.1242 118.4698 53.7540 33.1209 175.3408 33 I 4.1295 8.2991 122.9139 61.3294 37.4783 175.7337 34 V 4.1020 8.0796 125.6269 61.4109 32.4223 175.0934 35 R 4.5856 8.5541 125.1519 55.8119 30.5971 175.2356 36 N 4.8352 7.7464 117.9906 51.4802 40.3221 175.3856 37 A 4.0284 8.7043 128.9186 54.9989 18.7342 178.1009 38 A 4.3585 8.2315 116.4471 52.0270 19.1049 176.9343 39 F 3.8617 7.9105 118.9074 58.5601 40.5247 174.7295 40 K 4.1940 7.6079 127.2382 55.2994 32.0281 176.0402 41 L 4.1211 8.2802 130.6603 54.4109 42.0611 175.9268 42 L 4.6135 8.1298 126.5667 52.5451 43.4913 176.1111 43 P 4.1809 0.0000 0.0000 65.9811 31.2165 177.6566 44 E 4.1150 8.1192 111.7144 57.8226 29.4342 176.2533 45 H 4.8312 8.0367 117.3248 55.5933 30.6018 174.9545 46 D 4.6891 8.6616 119.1266 52.7377 43.7293 175.6886 47 V 5.0743 8.5319 123.3071 62.1051 33.7074 174.3665 48 A 4.7500 8.2857 123.9853 50.9616 22.8756 174.4737 49 Y 5.0655 9.5214 123.2125 56.1446 41.3964 175.4455 50 D 4.2842 9.6342 127.4216 55.1274 39.1640 174.2165 51 G 4.0839 8.4614 108.1049 45.6158 0.0000 174.7644 52 N 4.4854 8.0784 118.1200 52.2735 38.9914 172.3795 53 P 4.8050 0.0000 0.0000 62.6607 32.0036 176.6927 54 L 4.5052 8.4997 126.2734 52.7785 41.0659 175.5234 55 A 3.8226 8.5982 123.5261 52.5079 18.9144 177.5369 56 Q 4.2024 8.9967 124.3518 56.1603 27.5338 176.4142 *57 Q 4.2187 8.5814 121.6681 53.9816 27.4820 173.6597 58 H 4.1074 8.7775 121.0882 55.1634 29.3060 175.9604 59 G 3.8487 8.4644 111.6361 44.8702 0.0000 170.9830 60 P 4.6448 0.0000 0.0000 62.0547 32.7261 175.5825 61 R 4.4572 8.1140 119.4635 54.6217 34.1466 174.2545 62 Y 4.3977 7.2510 117.2161 56.4148 41.7669 173.8266 63 F 5.1318 8.3448 122.9367 56.2085 41.5390 173.1178 65 L 4.6111 7.2696 127.0522 56.1051 46.5517 173.5742 66 N 4.8373 7.9865 123.5474 51.0501 39.9199 172.3283 67 K 4.1077 8.8159 126.8873 55.8869 33.2595 174.2456 68 P 4.9211 0.0000 0.0000 61.5232 32.5617 175.1689 69 Q 4.2304 8.6374 119.4505 56.0023 30.2565 176.8398 70 G 4.1086 8.7930 105.4276 46.6292 0.0000 173.2397 71 Y 4.8309 7.6414 115.9773 56.0421 42.1378 174.8544 72 V 4.7752 8.3898 114.7110 60.2775 34.6398 175.9549 73 C 4.7988 8.4847 117.0693 59.3203 28.1000 173.4182 74 S 4.6088 7.6930 113.4531 58.4585 64.5990 174.3085 75 T 4.5124 8.2401 107.9516 61.3798 68.9328 175.8661 76 D 4.2069 7.6022 122.7209 56.9163 41.0276 176.4074 77 D 4.9159 7.5204 117.8113 52.1139 42.6214 173.8786 78 P 4.8646 0.0000 0.0000 62.7135 31.7156 175.5760 79 D 4.8228 8.7402 117.0066 54.3147 42.0298 175.9809 80 H 5.0533 7.5884 115.6536 53.0964 32.9641 171.5221 81 P 4.5553 0.0000 0.0000 62.8703 32.7341 175.9882 82 T 4.8530 8.5244 112.0457 61.4201 70.5883 175.7051 83 V 4.2875 9.1294 115.5304 63.1854 31.4534 178.4029 84 L 4.1151 7.9417 119.9789 57.1881 41.2393 178.1383 85 Y 4.1868 8.0133 118.9158 59.6717 38.6954 176.3617 86 F 4.1458 7.8384 116.3928 57.6933 40.0691 175.6619 87 L 3.7177 7.3874 121.1093 53.3366 40.9935 176.4346 88 D 4.6431 8.0478 124.6564 52.6174 39.6986 175.0119 89 E 4.7445 7.7558 121.6345 53.1965 33.8904 173.6546 90 P 4.2401 0.0000 0.0000 64.0058 32.6270 176.7889 91 V 2.8365 8.2075 110.8980 62.2203 29.0545 175.8969 92 A 3.7732 7.6216 127.2049 54.8398 18.7542 180.1377 93 W 4.2330 7.9873 111.3435 58.8113 27.9875 177.0608 94 K 4.0308 6.7509 117.3818 57.9956 31.8109 177.2151 95 L 4.4580 8.0902 120.1095 54.6388 42.2469 176.1794 96 H 5.1205 8.8211 116.9548 53.7034 32.0542 172.7850 97 A 4.4327 8.7471 122.0210 50.8740 18.7880 178.9284 98 A 4.2103 8.8008 129.5822 49.7688 16.2036 176.5471 99 G 4.0137 8.0570 108.5542 44.4282 0.0000 172.3696 100 R 4.3231 8.4118 125.0735 55.2574 31.0828 176.3452 101 L 4.7957 8.0932 119.6825 52.5395 44.4986 176.4154 102 D 4.5044 8.5107 122.0502 53.9883 42.2435 176.5323 103 I 4.4422 8.3484 122.9868 63.2649 37.8376 176.7755 104 D 5.0935 7.9729 117.1149 54.1940 41.2475 175.5804 105 T 4.6701 7.9769 116.0601 61.9277 70.7257 174.1826 106 T 5.5065 8.3167 113.4732 59.2393 72.0909 173.8257 107 G 3.4114 8.6425 107.6378 43.6849 0.0000 171.7419 108 L 4.4344 8.0377 123.7281 55.7960 42.0428 177.9977 109 V 4.3744 8.5262 125.2140 61.4636 34.9035 175.0891 110 L 5.1586 8.3814 128.3580 53.4622 44.4483 175.3766 *112 T 4.3219 8.2224 112.9714 62.0465 68.8036 173.5967 113 D 5.0434 7.6702 123.8462 53.1424 40.4326 176.5724 114 D 4.7883 8.0321 120.9200 52.8630 41.0968 176.1057 115 G 3.8910 8.5557 113.2306 47.8893 0.0000 172.6202 116 Q 4.0858 8.2523 120.3632 58.3623 28.6003 178.5142 117 W 4.2747 9.0625 127.9705 60.7119 31.0132 177.2292 118 S 4.2338 8.8288 113.2006 62.0759 61.8173 175.5798 119 H 4.1656 8.4787 121.9314 58.7567 29.3268 177.0430 120 R 4.1385 7.7078 118.9746 58.8135 29.8857 177.7480 121 I 3.9699 7.4938 118.8416 62.7711 37.7921 177.0756 122 T 4.2865 7.3991 108.6106 60.9860 69.7557 174.5868 123 S 3.9628 7.7340 118.1313 58.0443 62.6953 173.3869 124 P 4.2874 0.0000 0.0000 65.0458 31.2797 177.4626 125 R 4.2771 7.5336 115.5453 56.9737 30.5801 175.9358 126 H 4.7866 7.8137 115.9587 54.1627 30.0641 174.2840 127 H 4.3950 8.7108 124.0821 55.8883 29.8254 173.7430 128 C 4.8432 8.2929 126.4414 57.6364 35.2764 172.2253 129 E 5.0330 8.7113 124.7967 54.9446 31.2811 174.8543 130 K 4.9165 8.8967 123.7487 54.7667 35.5665 175.2475 131 T 4.9945 8.3922 120.6386 62.1396 71.4942 172.8827 132 Y 5.1294 9.4840 124.2457 56.1654 41.8570 174.9032 133 L 4.8509 9.5291 124.8248 53.8206 43.7709 174.9414 134 V 4.5183 9.1735 127.8901 61.5118 33.6264 174.3956 135 T 4.8751 8.3817 124.7284 62.0538 70.3399 173.6463 136 L 4.9091 8.8390 127.0745 52.7059 43.7142 176.3985 137 E 4.1184 9.1206 124.5691 58.8808 30.0840 177.3178 138 S 4.8487 7.7862 113.3071 55.4940 66.2852 172.4969 139 P 4.4954 0.0000 0.0000 62.6886 31.7960 176.4172 140 V 3.8032 8.5834 123.9375 61.9673 31.8727 176.0045 141 A 4.1927 8.7790 127.0393 51.7644 18.8433 177.9390 142 D 4.2888 9.0225 121.9043 56.1630 39.4561 177.2094 143 D 4.6460 7.9377 116.8447 53.6195 40.5646 178.0929 144 T 3.7098 8.2624 118.1288 67.4833 67.8720 175.9303 145 A 3.4090 6.9238 118.8528 55.3266 19.6150 178.6939 146 E 4.1168 8.4478 112.9287 59.6558 29.9580 179.7308 147 Q 3.9860 7.8047 117.5947 59.5185 28.8209 180.0370 148 F 4.1630 8.6019 118.3237 60.0281 39.0503 177.7770 149 A 4.1240 8.3766 121.9575 55.3983 18.5478 179.7517 150 K 3.8380 8.1639 113.4303 60.7290 32.3146 176.6060 151 G 4.2057 6.6075 102.0003 43.2918 0.0000 172.9857 152 V 4.3367 8.5323 114.5337 59.1636 35.1260 174.9755 153 Q 4.6950 8.2447 122.4320 54.0324 29.3243 175.4178 154 L 3.9984 8.2894 125.7973 54.6646 42.2561 176.6537 155 H 3.8464 8.7764 121.7390 57.6759 30.2711 174.9076 156 N 4.1542 8.8578 127.9416 54.9609 35.2194 174.7590 157 E 4.7812 7.5496 111.5463 54.0460 34.2872 177.8248 158 K 4.1170 8.6217 122.2265 59.3251 32.5726 178.3577 159 D 4.6749 7.6992 116.4670 53.9183 42.1290 175.1114 160 L 5.0855 7.9353 118.5492 53.1294 44.9466 176.8967 161 T 4.1367 8.6677 112.9214 61.4220 69.2077 174.5673 162 K 4.1533 9.5135 126.9315 56.1400 32.8312 174.8556 163 P 4.6871 0.0000 0.0000 61.3430 31.7643 174.8143 164 A 4.9592 8.5226 124.9489 50.0634 22.0633 175.3201 165 V 4.2931 8.2749 115.3082 59.8019 33.6828 174.7557 166 L 5.1809 8.5538 127.2216 53.1831 44.2838 174.8120 167 E 4.6649 9.0359 126.7641 54.4460 32.8550 174.9852 168 V 3.9879 8.2270 125.8941 61.6094 31.4469 175.7822 169 I 3.8860 8.5194 128.5160 63.7279 37.6229 176.6583 170 T 4.7619 8.3028 109.5640 58.5984 72.0591 172.7038 171 P 4.1686 0.0000 0.0000 65.8446 31.0434 177.5630 172 T 4.3472 7.6653 104.9918 60.8488 69.7979 173.0186 173 Q 5.0686 8.1571 124.8997 54.5687 31.7511 174.4978 174 V 4.8883 8.9801 119.1549 59.6538 36.7160 174.2387 175 R 4.9125 8.5808 124.3073 55.1208 31.8378 174.6785 176 L 5.3712 9.4152 128.4277 53.6163 45.3207 174.8220 177 T 5.3134 8.8402 123.0032 61.7846 71.1566 173.3127 178 I 4.8136 8.8935 120.0114 59.1790 40.4801 175.9345 179 S 5.2256 8.6865 118.0211 58.0741 64.1215 173.7924 180 E 5.0352 7.6740 122.7424 57.7536 30.3544 175.9641 181 G 4.3800 7.9993 106.2655 46.6140 0.0000 173.3900 182 R 4.1723 8.0526 119.0686 55.1770 30.9935 175.9689 183 Y 4.1257 8.4775 120.2818 58.8506 39.0820 174.8597 184 H 3.8576 8.5504 125.8065 56.6096 26.6397 176.9088 185 Q 3.8605 8.2727 120.6070 59.4017 29.4101 177.3941 186 V 3.7315 7.6927 115.5208 66.0405 31.9239 176.7943 187 K 4.1073 8.2602 118.7430 59.8568 32.1026 181.1336 188 R 4.1153 7.7500 118.4451 56.0737 29.1716 178.5174 *190 F 4.6792 8.1593 116.8577 57.2989 41.2708 177.5756 191 A 4.1292 7.8829 124.2063 55.2208 18.5592 179.2654 192 A 3.9975 8.0395 117.6496 55.6807 18.3435 179.0162 193 V 4.0430 7.9016 105.9730 61.1660 32.0698 176.4821 194 G 3.8292 8.5234 107.5211 45.6828 0.0000 171.7200 195 N 5.0287 8.4684 116.2638 53.1647 43.5777 173.4703 196 H 5.0300 8.5598 119.6392 54.1942 33.6320 171.9310 197 V 3.9998 8.1273 125.1424 62.4491 31.4782 175.4683 198 V 3.9206 8.5364 128.9673 64.9430 32.3358 175.6780 199 E 4.8169 7.7402 117.3292 54.8479 34.8695 174.7164 200 L 4.6291 8.2360 122.7986 54.6201 45.3927 173.3806 201 H 5.5062 9.5134 127.5374 54.3687 32.6613 172.3442 202 R 4.2756 9.1123 127.4654 55.9462 30.6592 176.2746 203 E 4.2459 9.0447 126.3417 57.6857 31.6092 176.1997 204 R 5.0140 7.4879 117.5637 54.5430 34.4357 174.3883 205 I 4.8400 8.4281 124.4669 60.3875 41.1116 176.1875 206 G 3.9645 8.7929 117.1639 46.9771 0.0000 174.2449 207 G 3.8542 9.6703 114.0536 45.3804 0.0000 172.7403 208 I 4.4208 8.0638 122.5792 59.7432 38.7978 174.7352 209 T 5.0846 8.1325 121.1715 61.3058 71.4425 173.6952 210 L 4.1979 8.5309 127.2160 54.7987 42.2744 176.6187 211 D 4.5932 8.8935 125.5968 54.6362 41.4873 177.6680 212 A 4.1400 8.8236 124.4807 54.2793 18.7066 177.9836 213 D 4.8488 7.3360 112.0143 53.0376 39.6936 176.7139 214 L 4.3331 7.7908 123.2358 53.7266 41.4597 175.1769 215 A 4.0937 8.5453 128.8855 50.8202 19.0634 175.2873 216 P 4.4147 0.0000 0.0000 64.7211 31.4024 176.4277 217 G 3.0797 9.0750 109.8880 45.0353 0.0000 173.6576 218 E 4.4940 8.0504 119.5147 55.7648 30.7086 174.4102 219 Y 5.4482 7.6458 118.2728 56.3341 41.6286 173.7959 220 R 4.5389 8.6935 112.7749 54.4159 32.2306 172.7549 221 P 4.5996 0.0000 0.0000 63.0734 32.1726 175.8016 222 L 4.4362 8.2734 121.6422 53.9726 42.8848 177.2032 223 T 4.2183 8.7186 111.7323 60.9625 70.2705 175.5284 224 E 3.7654 8.9324 124.1417 59.9985 29.4016 179.6546 225 E 3.9124 8.0892 118.3923 59.0356 29.7596 178.1680 226 E 3.9875 8.2044 120.9721 59.0312 29.5027 178.4129 227 I 3.4992 7.6236 117.4967 64.6163 37.1749 177.6283 228 A 4.1400 7.8306 121.3883 55.0135 18.3150 179.0971 229 S 4.4413 9.2349 114.5156 61.6569 63.5390 179.0948 230 V 3.2218 7.4379 123.9637 63.1757 31.9542 181.5857 231 V 4.1108 7.3536 120.0933 61.4709 32.4380 173.1936 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 1A G 8.35 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 0.00 0.00 0.00 1B S 7.12 3.49 0.00 3.89 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 1C H 8.60 4.73 0.00 3.15 3.24 0.00 5.77 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 R 8.26 4.44 0.00 1.94 2.06 0.00 3.14 0.00 0.00 3.28 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 3 L 8.89 4.14 0.00 2.03 1.82 0.96 1.25 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 4 D 8.27 4.36 0.00 3.00 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 5 K 8.22 3.97 0.00 1.88 2.10 0.00 1.74 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.56 1.54 7.81 6 F 8.32 4.13 0.00 3.15 3.23 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 7 I 8.14 3.52 1.88 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 1.90 1.00 0.78 0.00 0.00 8 A 8.46 3.87 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 9 Q 7.73 3.81 0.00 2.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.92 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 10 Q 7.66 3.87 0.00 1.55 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.62 0.00 0.00 0.00 0.00 0.00 1.16 1.42 0.00 11 L 7.73 4.25 0.00 1.50 1.51 0.17 0.28 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 12 G 7.94 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 0.00 0.00 0.00 13 V 7.45 4.42 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 0.79 0.00 0.00 0.88 0.00 0.00 14 S 8.10 4.52 0.00 4.03 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 15 R 8.52 3.66 0.00 1.90 1.97 0.00 3.42 0.00 0.00 3.35 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 16 A 7.93 3.99 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 17 I 8.13 3.82 1.86 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 1.46 0.58 0.90 0.00 0.00 18 A 8.81 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 19 G 8.32 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 R 7.53 3.88 0.00 1.94 2.21 0.00 3.14 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 21 E 8.43 4.07 0.00 2.25 2.25 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 2.54 2.59 0.00 22 I 7.71 3.85 2.08 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 1.58 0.83 0.94 0.00 0.00 23 R 7.74 4.23 0.00 1.81 2.01 0.00 3.17 0.00 0.00 3.24 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.85 0.00 24 G 7.70 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 25 N 8.02 4.23 0.00 2.87 2.88 0.00 0.00 6.70 7.82 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 26 R 7.70 4.56 0.00 1.95 1.64 0.00 3.04 0.00 0.00 3.21 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.67 0.00 27 V 7.77 4.96 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 1.05 0.00 0.00 1.07 0.00 0.00 28 T 9.29 5.22 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 1.25 0.00 0.00 29 V 8.61 4.71 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 0.62 0.00 0.00 0.97 0.00 0.00 30 D 9.98 4.45 0.00 2.79 2.77 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 31 G 8.52 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 32 E 8.12 4.70 0.00 2.03 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 2.19 2.23 0.00 33 I 8.30 4.13 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 0.44 0.90 0.00 0.00 34 V 8.08 4.10 1.82 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 0.34 0.00 0.00 0.46 0.00 0.00 35 R 8.55 4.59 0.00 1.83 1.92 0.00 3.35 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 36 N 7.75 4.84 0.00 2.76 2.80 0.00 0.00 7.01 8.46 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 37 A 8.70 4.03 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 38 A 8.23 4.36 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 39 F 7.91 3.86 0.00 3.32 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 40 K 7.61 4.19 0.00 1.52 1.35 0.00 1.64 0.00 0.00 1.45 0.00 0.00 2.47 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.18 1.21 7.81 41 L 8.28 4.12 0.00 1.69 1.53 0.85 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 42 L 8.13 4.61 0.00 1.89 1.59 0.95 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 4.18 0.00 2.04 2.15 0.00 3.69 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 2.04 2.10 0.00 44 E 8.12 4.12 0.00 2.05 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 2.23 2.19 0.00 45 H 8.04 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0.00 0.00 0.00 1.52 1.47 0.00 62 Y 7.25 4.40 0.00 2.47 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 0.00 0.00 0.00 0.00 63 F 8.34 5.13 0.00 3.06 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 65 L 7.27 4.61 0.00 1.98 1.67 0.88 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 66 N 7.99 4.84 0.00 2.89 2.60 0.00 0.00 6.99 6.09 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 67 K 8.82 4.11 0.00 1.89 1.69 0.00 1.73 0.00 0.00 1.89 0.00 0.00 3.11 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.46 1.43 7.81 68 P 0.00 4.92 0.00 2.10 1.82 0.00 3.41 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.00 0.00 69 Q 8.64 4.23 0.00 2.11 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.30 0.00 0.00 0.00 0.00 0.00 2.48 2.41 0.00 70 G 8.79 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 Y 7.64 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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 0.00 105 T 7.98 4.67 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 106 T 8.32 5.51 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 1.27 0.00 0.00 107 G 8.64 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 0.00 108 L 8.04 4.43 0.00 1.57 1.54 0.96 0.79 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 0.00 109 V 8.53 4.37 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 0.98 0.00 0.00 1.03 0.00 0.00 110 L 8.38 5.16 0.00 1.83 2.01 0.95 0.99 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 *112 T 8.22 4.32 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 1.43 0.00 0.00 113 D 7.67 5.04 0.00 2.78 2.55 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 0.00 114 D 8.03 4.79 0.00 2.43 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 0.00 115 G 8.56 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 0.00 116 Q 8.25 4.09 0.00 2.34 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.82 0.00 0.00 0.00 0.00 0.00 2.52 2.44 0.00 117 W 9.06 4.27 0.00 3.60 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 S 8.83 4.23 0.00 4.26 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 0.00 119 H 8.48 4.17 0.00 3.25 3.47 0.00 5.69 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 R 7.71 4.14 0.00 1.82 2.00 0.00 3.25 0.00 0.00 3.19 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 121 I 7.49 3.97 1.73 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.25 0.72 0.00 0.00 122 T 7.40 4.29 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 1.26 0.00 0.00 123 S 7.73 3.96 0.00 3.30 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 0.00 124 P 0.00 4.29 0.00 2.07 2.10 0.00 3.67 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 2.02 2.09 0.00 125 R 7.53 4.28 0.00 1.77 2.01 0.00 3.15 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 126 H 7.81 4.79 0.00 3.20 3.17 0.00 5.67 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 H 8.71 4.39 0.00 3.13 3.20 0.00 5.67 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 C 8.29 4.84 0.00 2.97 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.71 5.03 0.00 1.94 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 2.27 2.36 0.00 130 K 8.90 4.92 0.00 1.78 1.35 0.00 1.46 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.30 7.81 131 T 8.39 4.99 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 1.23 0.00 0.00 132 Y 9.48 5.13 0.00 2.91 2.94 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 0.00 133 L 9.53 4.85 0.00 1.88 1.76 0.95 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 134 V 9.17 4.52 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 0.59 0.00 0.00 1.02 0.00 0.00 135 T 8.38 4.88 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 1.15 0.00 0.00 136 L 8.84 4.91 0.00 1.38 1.60 0.82 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 137 E 9.12 4.12 0.00 1.96 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 0.00 2.35 2.36 0.00 138 S 7.79 4.85 0.00 3.75 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 0.00 139 P 0.00 4.50 0.00 1.93 2.03 0.00 3.69 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 140 V 8.58 3.80 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 0.63 0.00 0.00 0.94 0.00 0.00 141 A 8.78 4.19 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 0.00 142 D 9.02 4.29 0.00 2.78 2.83 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 0.00 143 D 7.94 4.65 0.00 2.84 2.94 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 0.00 144 T 8.26 3.71 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 0.51 0.00 0.00 145 A 6.92 3.41 1.18 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 0.00 0.00 146 E 8.45 4.12 0.00 2.03 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 2.41 2.42 0.00 147 Q 7.80 3.99 0.00 2.41 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.83 0.00 0.00 0.00 0.00 0.00 2.43 2.79 0.00 148 F 8.60 4.16 0.00 3.14 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 0.00 149 A 8.38 4.12 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 0.00 150 K 8.16 3.84 0.00 1.77 1.89 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.60 7.81 151 G 6.61 4.21 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 0.00 152 V 8.53 4.34 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 0.54 0.00 0.00 0.63 0.00 0.00 153 Q 8.24 4.69 0.00 1.96 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.94 0.00 0.00 0.00 0.00 0.00 2.22 2.48 0.00 154 L 8.29 4.00 0.00 1.66 1.60 0.91 1.07 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 0.00 155 H 8.78 3.85 0.00 3.13 3.25 0.00 5.86 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 0.00 156 N 8.86 4.15 0.00 2.99 2.91 0.00 0.00 6.79 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 0.00 157 E 7.55 4.78 0.00 1.92 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.87 0.00 158 K 8.62 4.12 0.00 1.73 1.88 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.45 7.81 159 D 7.70 4.67 0.00 2.65 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 7.94 5.09 0.00 1.46 1.50 0.90 0.79 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 T 8.67 4.14 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 1.09 0.00 0.00 162 K 9.51 4.15 0.00 1.64 1.79 0.00 1.74 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.39 7.81 163 P 0.00 4.69 0.00 2.21 2.18 0.00 3.31 0.00 0.00 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 164 A 8.52 4.96 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 0.00 165 V 8.27 4.29 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 0.70 0.00 0.00 0.97 0.00 0.00 166 L 8.55 5.18 0.00 1.48 1.38 0.44 0.87 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 0.00 167 E 9.04 4.66 0.00 2.08 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 2.20 2.22 0.00 168 V 8.23 3.99 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 0.90 0.00 0.00 0.91 0.00 0.00 169 I 8.52 3.89 2.02 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 1.48 0.93 0.91 0.00 0.00 170 T 8.30 4.76 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 1.20 0.00 0.00 171 P 0.00 4.17 0.00 2.22 2.39 0.00 3.65 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 2.07 1.99 0.00 172 T 7.67 4.35 4.43 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 1.19 0.00 0.00 173 Q 8.16 5.07 0.00 2.09 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.78 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 174 V 8.98 4.89 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 0.72 0.00 0.00 1.05 0.00 0.00 175 R 8.58 4.91 0.00 1.96 1.82 0.00 3.05 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.83 0.00 176 L 9.42 5.37 0.00 1.95 1.69 1.23 0.99 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 0.00 177 T 8.84 5.31 4.29 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 1.24 0.00 0.00 178 I 8.89 4.81 1.90 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.01 0.98 0.00 0.00 179 S 8.69 5.23 0.00 3.41 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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1.46 1.36 7.81 188 R 7.75 4.12 0.00 1.90 1.95 0.00 3.24 0.00 0.00 3.40 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 *190 F 8.16 4.68 0.00 3.25 3.21 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 0.00 191 A 7.88 4.13 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 192 A 8.04 4.00 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 0.00 193 V 7.90 4.04 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 1.14 0.00 0.00 194 G 8.52 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 0.00 0.00 0.00 195 N 8.47 5.03 0.00 2.91 3.06 0.00 0.00 6.72 7.39 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 0.00 196 H 8.56 5.03 0.00 3.25 3.08 0.00 5.91 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 V 8.13 4.00 1.93 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 0.69 0.00 0.00 0.76 0.00 0.00 198 V 8.54 3.92 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.89 0.00 0.00 199 E 7.74 4.82 0.00 1.82 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 2.24 2.20 0.00 200 L 8.24 4.63 0.00 1.64 1.43 0.79 0.52 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 0.00 201 H 9.51 5.51 0.00 3.26 3.17 0.00 5.82 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 202 R 9.11 4.28 0.00 1.92 1.68 0.00 2.79 0.00 0.00 2.92 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.75 0.00 203 E 9.04 4.25 0.00 1.95 1.93 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 2.28 2.22 0.00 204 R 7.49 5.01 0.00 1.77 1.60 0.00 3.17 0.00 0.00 3.31 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.73 0.00 205 I 8.43 4.84 1.83 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 1.15 0.59 0.83 0.00 0.00 206 G 8.79 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 0.00 207 G 9.67 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 0.00 208 I 8.06 4.42 1.91 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.99 0.96 0.00 0.00 209 T 8.13 5.08 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 1.20 0.00 0.00 210 L 8.53 4.20 0.00 1.69 1.57 0.93 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 211 D 8.89 4.59 0.00 2.64 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 0.00 212 A 8.82 4.14 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 0.00 213 D 7.34 4.85 0.00 2.79 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 0.00 214 L 7.79 4.33 0.00 1.59 1.64 0.89 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 215 A 8.55 4.09 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 0.00 216 P 0.00 4.41 0.00 2.11 2.05 0.00 3.75 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 1.97 1.97 0.00 217 G 9.07 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 0.00 0.00 0.00 218 E 8.05 4.49 0.00 2.19 1.82 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 2.26 2.21 0.00 219 Y 7.65 5.45 0.00 2.93 2.87 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 0.00 220 R 8.69 4.54 0.00 1.84 1.95 0.00 2.99 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 1.61 1.68 0.00 221 P 0.00 4.60 0.00 1.95 1.95 0.00 3.72 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.49 0.00 222 L 8.27 4.44 0.00 1.47 1.47 1.00 1.25 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 0.00 223 T 8.72 4.22 4.21 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 1.23 0.00 0.00 224 E 8.93 3.77 0.00 1.97 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 2.34 2.34 0.00 225 E 8.09 3.91 0.00 2.05 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 2.37 2.42 0.00 226 E 8.20 3.99 0.00 2.24 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 2.36 2.24 0.00 227 I 7.62 3.50 1.70 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 -0.36 0.44 0.00 0.00 228 A 7.83 4.14 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 0.00 229 S 9.23 4.44 0.00 4.05 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 0.00 230 V 7.44 3.22 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 0.75 0.00 0.00 0.93 0.00 0.00 231 V 7.35 4.11 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 0.79 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.