NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7635 8.3431 109.7425 45.3481 0.0000 173.8452 *2 G 3.7345 7.5399 105.5625 44.1801 0.0000 173.5619 3 I 3.5129 7.9182 120.0289 64.0251 36.8204 178.0981 4 H 4.0199 8.1259 118.9587 59.6303 29.5921 177.0866 5 Q 3.9510 7.9347 119.3513 58.8884 28.2603 178.1298 6 Y 4.3106 7.8302 119.3837 60.8997 39.3837 177.5141 7 F 4.4691 8.7909 119.2293 60.8166 38.8650 177.7004 8 Q 4.0296 8.4125 118.0666 58.9205 28.3963 178.9527 9 S 4.3959 8.0332 116.4684 60.6588 62.4949 176.5985 10 L 3.9426 7.5339 122.4561 57.9212 41.3452 179.5844 11 S 4.1955 7.8930 114.7181 61.3819 62.2801 176.3415 12 D 4.3329 7.7397 121.6950 57.1456 40.5123 178.1879 13 L 4.0581 7.3993 116.7496 56.2037 41.3895 178.4370 14 E 4.0979 7.8505 118.1783 57.6006 29.5334 176.8990 15 N 4.6632 7.6060 115.1938 52.4954 39.2956 173.8068 16 I 4.3948 7.0265 119.9076 59.6657 39.7941 174.1157 17 Y 5.1081 8.4660 124.1179 56.0959 40.3740 175.9470 18 R 4.0660 9.0066 121.8015 56.2594 31.0524 176.0807 19 C 4.1388 8.4637 120.1387 59.9348 29.8358 171.2641 20 P 4.4158 0.0000 0.0000 63.8496 32.2030 177.2509 21 G 3.9925 9.1695 107.7982 45.2801 0.0000 173.3012 22 K 4.6958 7.4048 117.2719 53.7077 35.5711 175.8240 23 F 4.2267 8.8288 124.7144 58.2718 39.8590 174.5282 24 K 4.1237 6.9573 125.1033 55.2907 35.2380 175.7625 25 Y 4.0867 8.4881 119.2174 60.2054 38.0621 176.6266 26 Q 4.4500 8.1642 117.7998 53.9244 32.0061 174.4647 27 E 4.5333 8.4813 121.8773 55.5828 31.4808 175.2935 28 H 5.3109 8.6043 118.8712 54.1012 32.6688 173.5619 29 S 4.5473 9.2860 118.1931 57.5947 64.4050 175.6641 30 V 3.5418 8.4898 119.9119 65.8477 31.1122 177.8479 31 A 3.9920 7.8627 120.6597 55.4198 18.2216 179.5085 32 E 4.0009 8.1286 116.8002 59.8016 29.4835 178.9544 33 H 4.1772 8.5834 118.5448 59.5419 29.9133 177.4389 34 S 4.1182 8.4547 117.1227 61.6606 62.6652 175.8752 35 Y 4.1506 8.1892 122.2217 60.7875 38.4127 178.6159 36 K 3.5868 8.1001 119.1659 59.2691 32.1840 179.3991 37 V 3.4938 7.9147 118.8902 66.5008 31.2316 178.2305 38 T 3.9326 7.9411 115.2272 66.7681 68.2480 176.9523 39 S 4.0772 7.8192 117.1247 61.3759 62.6863 176.8912 40 I 3.4902 7.9612 122.7089 64.2067 36.8362 178.1777 41 A 4.1244 8.2351 123.3905 54.5985 17.6338 179.2305 42 Q 3.9446 8.3185 118.2589 59.4024 29.0724 178.6606 43 F 4.0697 7.8818 120.9407 61.4587 39.4067 177.1500 44 F 4.4367 8.2462 117.5596 60.3863 38.4958 177.8194 45 G 3.1287 8.2198 105.4328 47.6556 0.0000 175.6159 46 A 4.1011 7.7609 122.2923 54.7624 18.3795 179.8765 47 V 3.2620 7.1620 116.7635 66.1272 31.5574 178.2048 48 E 3.9407 8.3974 118.6792 59.3367 29.2467 179.1809 49 E 4.3747 8.3608 120.2713 59.0319 29.3450 178.9493 50 D 4.3431 8.1048 116.7213 56.7530 41.3375 177.1631 51 A 4.3536 7.4745 118.5538 52.1924 18.8100 177.9899 52 G 3.9298 8.1281 106.5890 45.0117 0.0000 173.8519 53 N 4.5615 7.9880 118.2250 52.2544 39.4012 174.1503 54 E 4.1239 8.6135 123.6520 55.8291 30.3936 175.8012 55 V 4.0995 8.1608 125.5558 60.9208 33.5500 175.2812 56 N 4.6314 8.9132 126.2374 52.3240 38.4918 175.4512 57 W 3.9695 8.6054 128.8727 59.3991 29.3328 178.0424 58 R 4.0530 8.3905 118.1392 59.5756 29.5157 178.3165 59 A 4.1708 8.4235 120.4808 54.8860 18.4925 179.3274 60 L 3.7323 7.8633 118.8035 58.5701 42.1194 178.9311 61 Y 4.3149 8.2505 117.0539 61.1217 37.7483 178.3187 62 E 4.1156 8.6157 118.7356 59.2375 29.4457 179.4044 63 K 3.9747 8.0487 118.5214 59.2260 32.5954 178.9246 64 A 4.1116 7.9290 120.7203 55.0183 18.1332 179.4354 65 L 4.1984 8.1724 117.9692 57.5249 42.5621 177.5280 66 N 4.9072 8.0118 114.1101 53.3721 39.1521 176.6067 67 H 4.2984 7.9575 113.4969 57.9529 28.8757 176.0640 68 D 4.8207 7.6729 117.5926 53.9655 41.5625 176.9218 69 Y 3.9854 8.0538 123.4684 60.8666 38.6056 178.1195 70 S 4.1967 8.0921 112.9675 59.8946 63.0383 175.6127 71 E 3.9056 7.7993 122.3055 59.0822 29.1611 178.4406 72 L 3.6793 6.8287 118.4170 57.0139 41.4346 178.7780 73 F 4.8619 7.2992 118.8543 58.9997 40.1160 176.0561 74 I 4.3761 7.8981 118.8833 60.1450 38.7019 178.7396 *90 E 4.1296 8.9009 114.7767 57.7717 30.3835 177.1719 *92 L 4.4020 7.7346 124.0668 55.2815 44.0858 182.1099 93 S 4.4232 7.8213 118.9296 64.1225 62.0270 181.4872 94 E 4.2256 8.0723 120.6246 61.2988 29.4081 182.3792 95 V 3.8206 7.6724 117.9893 65.4076 31.7466 177.2591 96 E 4.1406 7.6711 117.3668 59.4343 29.7785 178.1407 97 E 4.1890 8.0130 117.8651 59.6789 29.5873 180.0299 98 S 4.1836 7.9800 110.3888 59.7082 62.8495 175.8851 *100 T 4.0258 7.8200 117.7236 63.0290 70.4804 176.0514 101 K 3.9107 8.1895 121.8412 59.7784 32.1002 178.5715 102 N 4.3303 8.1242 116.6649 56.0624 38.3700 177.0700 103 F 4.2170 8.0808 121.6260 61.4479 39.4842 177.1231 104 I 3.2747 7.9326 119.1748 64.5308 36.7527 178.6758 105 S 4.0947 7.7086 114.3350 61.1187 62.6063 176.2483 106 R 4.1451 7.4911 119.8983 58.2495 30.3023 177.3126 107 E 4.4142 7.9173 116.1677 55.5651 31.0676 176.2266 108 I 4.0216 6.6263 119.9225 58.7983 38.3458 174.0092 109 P 4.2510 0.0000 0.0000 62.6713 32.1948 177.0225 110 A 3.8949 8.7053 124.8992 55.8223 18.1788 180.1837 111 T 3.6624 7.7131 109.0223 64.1963 67.5925 174.8923 112 F 4.9424 8.0111 118.0544 57.3202 39.6137 177.3566 113 Q 4.0776 7.9818 119.7179 58.6645 28.6011 176.9169 114 P 4.2956 0.0000 0.0000 65.4697 31.3394 178.5351 115 I 3.6730 7.7495 117.0901 64.3610 38.0266 177.4690 116 Y 3.6622 8.3318 117.6405 60.6936 37.2237 178.3097 117 R 4.0131 8.5231 119.7470 59.5307 29.9487 178.5625 118 H 4.2171 7.9565 116.7042 59.3752 30.0117 177.1419 119 L 4.0183 8.0260 119.7902 56.9025 41.4780 178.4485 120 L 4.6487 7.6859 116.3959 53.5419 42.3824 176.6660 121 K 4.3196 7.1661 117.7849 55.4466 33.6375 176.2864 122 E 3.9730 8.7240 120.4766 56.7005 29.7234 176.5453 123 G 3.8537 8.6806 114.2690 45.8786 0.0000 173.1219 124 K 4.5985 8.1113 120.2164 55.2460 30.7601 175.3539 125 D 5.2068 8.0326 124.4708 51.5683 42.0599 176.4683 126 S 4.5700 8.5139 113.7800 58.9030 63.7034 174.7220 127 T 4.0529 7.9648 113.0804 61.6244 70.3241 174.7513 128 L 3.8634 8.3177 123.0501 58.4946 42.0991 179.1090 129 E 3.9002 8.0484 118.1790 59.1910 29.5048 179.3229 130 G 3.6353 8.1532 105.8463 47.5703 0.0000 175.9806 131 K 3.9322 8.1248 120.8303 59.2444 32.0165 179.5162 132 I 3.5258 7.8930 120.4789 64.0735 36.9152 178.2670 133 L 3.8039 7.8893 121.0209 57.9458 41.6734 178.8243 134 A 3.8438 7.5944 120.9055 55.0760 18.2712 179.6864 135 I 3.4014 7.3045 111.5226 63.9557 37.5067 178.5687 136 S 4.2209 8.1216 117.1011 61.3129 62.6524 176.0434 137 D 4.3603 8.1049 120.6706 57.5368 40.8846 178.6543 138 K 4.0546 7.7323 118.6397 59.1582 31.9376 179.6324 139 V 3.5529 8.2526 119.2490 65.8671 31.3654 177.5093 140 D 4.3840 8.2861 117.8599 57.3806 41.0902 177.9282 141 L 4.3101 7.9437 122.1269 57.6035 41.9678 178.7384 142 L 4.0488 8.3827 120.5398 58.4118 42.0001 178.5859 143 Y 3.9270 8.5371 116.8618 61.0056 37.3874 178.3258 144 E 4.1111 8.7410 120.0481 59.5378 29.6310 179.6487 145 S 4.3441 8.3903 114.3733 61.3226 63.1868 176.0301 146 F 4.2013 8.8573 124.8348 61.0535 39.1020 177.2056 147 G 3.6805 8.7007 105.5802 47.9827 0.0000 175.4471 148 E 3.8544 7.8462 120.6630 59.0182 29.3834 179.4926 149 I 3.6192 7.6557 119.8042 64.4965 36.9448 178.3428 150 Q 3.7618 7.6907 119.3366 58.6265 28.8135 177.4399 151 K 4.2378 7.6722 117.0892 56.0788 32.0678 177.5367 152 G 3.8679 7.7721 107.2597 45.5757 0.0000 173.4451 153 N 4.6264 8.3849 119.1333 53.0603 39.0368 173.3094 154 P 4.4405 0.0000 0.0000 64.3596 32.5446 175.5638 155 E 3.9449 8.4455 119.2056 56.8052 29.6202 177.3563 156 N 4.3744 8.9359 123.0728 56.3557 38.8358 176.0057 157 I 3.5344 7.8583 119.8464 64.5352 37.6588 177.4190 158 F 4.2462 7.8719 117.8571 60.3561 38.6924 177.8996 159 V 3.7111 8.0932 118.1851 65.9755 31.3161 177.9906 160 E 4.0484 8.1772 117.9694 59.4087 29.2862 179.2653 161 I 3.7453 8.1771 120.1989 64.4257 37.1367 177.6133 162 Y 4.1195 8.4358 120.6532 61.0542 38.5427 178.4748 163 S 4.1975 8.4648 115.8118 61.8621 62.9335 176.7212 164 E 3.9734 8.3360 120.9824 59.0870 29.1165 179.2459 165 A 3.9447 8.3143 121.2465 55.0410 18.4195 179.3989 166 L 3.7671 8.0081 118.9779 58.2619 41.9265 178.9350 167 A 4.0477 7.9560 119.5566 55.6462 18.7054 179.4857 168 T 4.0769 8.2091 114.2518 66.7237 68.4369 177.0032 169 I 3.7318 8.0500 122.0383 64.7221 37.2665 177.8730 170 Y 4.1131 8.4635 120.2056 60.3766 38.3790 177.3000 171 E 4.1487 7.9791 117.3220 57.7122 29.9042 176.7749 172 Y 4.5907 7.8577 117.6113 57.4700 38.3295 177.7769 173 R 4.0085 7.4464 118.1931 58.3528 29.7463 177.5255 174 E 4.0915 7.2404 117.7241 55.9600 28.5503 177.2667 *176 A 4.4085 7.8841 123.2263 53.3310 21.2975 179.4070 177 S 4.2062 8.6835 112.3844 62.0683 62.7827 177.3450 178 V 3.6438 7.5740 120.1107 65.5530 31.2978 177.5440 179 K 3.9055 8.1604 119.1212 59.8284 31.9706 177.8927 180 Y 3.9645 8.3731 119.5710 60.5775 38.7267 177.3283 181 F 4.2996 8.7863 121.7306 61.7981 39.2860 177.2555 182 L 3.8749 8.3560 117.2665 57.4517 41.4572 179.1187 183 K 4.0437 8.1048 119.1242 58.5183 32.2247 177.7044 184 E 4.2804 8.0075 117.0445 57.1212 31.5366 177.9677 185 I 3.9101 6.9922 118.7864 63.6729 37.5633 177.5937 186 L 3.5517 6.9593 119.9011 57.8194 42.2200 177.0254 187 P 4.3684 0.0000 0.0000 65.3181 30.9208 178.7720 188 D 4.5403 7.6662 115.4468 54.6625 39.8470 178.0322 *190 L 4.1973 7.9395 119.6185 54.5064 43.3949 177.5621 191 A 4.3489 7.6301 119.4145 52.2998 19.0538 177.5923 192 E 4.0932 7.6094 117.0978 55.6264 30.1304 176.4699 193 K 3.8325 8.5855 122.9717 58.7673 32.4867 176.9214 194 G 4.0099 8.8029 115.4119 45.3370 0.0000 175.1104 195 I 3.7957 7.5657 120.4840 63.7564 37.3231 178.1304 196 E 4.0130 8.1561 117.6454 59.0368 29.3725 178.0066 197 K 4.1374 7.9292 117.1789 57.4619 32.3696 176.4458 198 T 4.5445 7.3215 109.7195 60.4780 71.1249 174.5312 199 E 4.4595 8.3373 118.9140 56.5922 29.8151 177.7986 200 L 3.8723 7.7643 121.1082 57.3075 41.8162 177.1999 201 P 4.2299 0.0000 0.0000 65.8202 31.2813 178.3146 202 Q 3.9559 8.0018 117.3597 59.2867 29.0155 178.0679 203 L 4.0485 8.3002 120.3708 58.0920 41.6410 179.6534 204 T 3.9444 8.4980 116.1042 66.9534 68.1800 176.7912 205 T 3.8428 7.5823 116.1136 66.6852 68.6524 176.2237 206 E 4.0881 8.1561 120.4221 59.5641 29.2727 179.5852 207 I 3.7499 7.9088 119.2973 63.7217 37.1827 177.5123 208 T 3.0525 7.2693 108.5237 60.9967 69.0678 174.7009 209 T 4.6391 7.3061 112.4412 64.1729 74.4709 174.2890 210 K 4.1695 7.6096 127.4106 54.3254 31.6108 178.1321 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 0 G 8.34 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 0.00 0.00 0.00 *2 G 7.54 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 3 I 7.92 3.51 1.52 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.76 -0.02 0.00 0.00 4 H 8.13 4.02 0.00 3.22 3.31 0.00 5.87 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 5 Q 7.93 3.95 0.00 2.29 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.46 2.85 0.00 6 Y 7.83 4.31 0.00 2.94 3.04 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 7 F 8.79 4.47 0.00 3.12 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.41 4.03 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 9 S 8.03 4.40 0.00 3.94 4.30 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 10 L 7.53 3.94 0.00 1.76 1.68 0.77 0.67 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 11 S 7.89 4.20 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 12 D 7.74 4.33 0.00 2.65 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 13 L 7.40 4.06 0.00 1.80 1.57 0.80 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 14 E 7.85 4.10 0.00 2.00 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 2.27 2.32 0.00 15 N 7.61 4.66 0.00 2.69 2.78 0.00 0.00 6.78 7.14 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 16 I 7.03 4.39 1.67 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.54 0.82 0.00 0.00 17 Y 8.47 5.11 0.00 2.87 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 18 R 9.01 4.07 0.00 1.80 1.92 0.00 3.41 0.00 0.00 3.06 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.90 0.00 19 C 8.46 4.14 0.00 3.16 3.04 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 20 P 0.00 4.42 0.00 2.25 2.10 0.00 3.85 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 21 G 9.17 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 22 K 7.40 4.70 0.00 1.81 1.78 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.71 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.30 1.18 7.81 23 F 8.83 4.23 0.00 2.93 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 24 K 6.96 4.12 0.00 1.79 1.48 0.00 1.63 0.00 0.00 1.82 0.00 0.00 3.08 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.30 1.35 7.81 25 Y 8.49 4.09 0.00 2.99 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 26 Q 8.16 4.45 0.00 1.92 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.76 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 27 E 8.48 4.53 0.00 1.71 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.95 0.00 28 H 8.60 5.31 0.00 3.13 3.23 0.00 5.61 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 S 9.29 4.55 0.00 3.76 3.80 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 30 V 8.49 3.54 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.84 0.00 0.00 31 A 7.86 3.99 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 32 E 8.13 4.00 0.00 2.29 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 2.35 2.33 0.00 33 H 8.58 4.18 0.00 3.28 3.59 0.00 5.78 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 34 S 8.45 4.12 0.00 4.11 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 35 Y 8.19 4.15 0.00 3.09 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 36 K 8.10 3.59 0.00 1.96 1.74 0.00 1.75 0.00 0.00 1.66 0.00 0.00 3.12 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.52 1.79 7.81 37 V 7.91 3.49 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 0.96 0.00 0.00 0.74 0.00 0.00 38 T 7.94 3.93 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 1.43 0.00 0.00 39 S 7.82 4.08 0.00 3.64 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 40 I 7.96 3.49 1.92 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.51 0.83 0.00 0.00 41 A 8.24 4.12 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 Q 8.32 3.94 0.00 2.34 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 2.48 2.59 0.00 43 F 7.88 4.07 0.00 3.00 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 44 F 8.25 4.44 0.00 3.04 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 45 G 8.22 3.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 7.76 4.10 1.25 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 0.00 0.00 47 V 7.16 3.26 2.12 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 56 N 8.91 4.63 0.00 2.74 2.75 0.00 0.00 6.85 8.67 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 57 W 8.61 3.97 0.00 3.56 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 R 8.39 4.05 0.00 1.98 2.14 0.00 3.23 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.79 0.00 59 A 8.42 4.17 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 60 L 7.86 3.73 0.00 1.34 1.49 0.18 0.22 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 61 Y 8.25 4.31 0.00 3.23 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 62 E 8.62 4.12 0.00 2.21 2.34 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 2.60 2.35 0.00 63 K 8.05 3.97 0.00 1.79 1.89 0.00 1.65 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.56 7.81 64 A 7.93 4.11 1.39 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 123 G 8.68 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 0.00 124 K 8.11 4.60 0.00 1.92 1.81 0.00 1.66 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.36 7.81 125 D 8.03 5.21 0.00 2.72 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 0.00 126 S 8.51 4.57 0.00 3.99 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 T 7.96 4.05 4.20 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 1.19 0.00 0.00 128 L 8.32 3.86 0.00 1.70 1.61 0.87 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 129 E 8.05 3.90 0.00 2.00 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 0.00 2.46 2.17 0.00 130 G 8.15 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 0.00 0.00 0.00 131 K 8.12 3.93 0.00 1.91 1.84 0.00 1.85 0.00 0.00 1.65 0.00 0.00 3.10 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.65 1.65 7.81 132 I 7.89 3.53 1.86 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.56 0.85 0.00 0.00 133 L 7.89 3.80 0.00 1.69 1.74 0.72 0.76 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 0.00 134 A 7.59 3.84 1.01 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 0.00 0.00 135 I 7.30 3.40 1.46 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.65 0.28 0.00 0.00 136 S 8.12 4.22 0.00 4.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 D 8.10 4.36 0.00 2.80 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 0.00 138 K 7.73 4.05 0.00 1.82 1.78 0.00 1.74 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.57 1.56 7.81 139 V 8.25 3.55 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 1.23 0.00 0.00 0.78 0.00 0.00 140 D 8.29 4.38 0.00 2.85 2.89 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 0.00 141 L 7.94 4.31 0.00 2.01 1.89 1.07 0.46 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 0.00 142 L 8.38 4.05 0.00 1.89 1.91 0.19 1.22 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 0.00 143 Y 8.54 3.93 0.00 3.44 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 0.00 144 E 8.74 4.11 0.00 2.30 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 0.00 2.26 2.62 0.00 145 S 8.39 4.34 0.00 4.61 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 0.00 146 F 8.86 4.20 0.00 3.33 3.27 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 0.00 147 G 8.70 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 0.00 148 E 7.85 3.85 0.00 1.45 1.25 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 2.18 1.50 0.00 149 I 7.66 3.62 1.77 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 1.44 0.90 0.76 0.00 0.00 150 Q 7.69 3.76 0.00 1.48 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.18 0.00 0.00 0.00 0.00 0.00 2.17 1.99 0.00 151 K 7.67 4.24 0.00 1.91 1.49 0.00 1.79 0.00 0.00 1.62 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.51 7.81 152 G 7.77 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 0.00 153 N 8.38 4.63 0.00 2.80 2.76 0.00 0.00 7.08 8.44 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 0.00 154 P 0.00 4.44 0.00 2.24 2.19 0.00 3.99 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 155 E 8.45 3.94 0.00 2.53 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 2.63 2.64 0.00 156 N 8.94 4.37 0.00 2.85 2.82 0.00 0.00 6.73 7.98 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 0.00 157 I 7.86 3.53 1.67 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 1.36 1.06 0.09 0.00 0.00 158 F 7.87 4.25 0.00 3.25 3.15 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 0.00 159 V 8.09 3.71 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 1.08 0.00 0.00 0.97 0.00 0.00 160 E 8.18 4.05 0.00 2.23 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 2.42 2.42 0.00 161 I 8.18 3.75 2.15 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.85 1.03 0.00 0.00 162 Y 8.44 4.12 0.00 3.22 3.30 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 0.00 163 S 8.46 4.20 0.00 4.15 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 0.00 164 E 8.34 3.97 0.00 2.06 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 2.35 2.52 0.00 165 A 8.31 3.94 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 0.00 166 L 8.01 3.77 0.00 1.38 1.64 1.02 0.98 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 0.00 167 A 7.96 4.05 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 0.00 168 T 8.21 4.08 4.41 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 1.35 0.00 0.00 169 I 8.05 3.73 2.03 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.68 0.78 0.00 0.00 170 Y 8.46 4.11 0.00 3.19 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 0.00 171 E 7.98 4.15 0.00 2.08 1.71 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 2.57 2.46 0.00 172 Y 7.86 4.59 0.00 3.09 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 0.00 173 R 7.45 4.01 0.00 1.69 1.63 0.00 2.49 0.00 0.00 2.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.30 0.00 174 E 7.24 4.09 0.00 2.13 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 0.00 2.27 2.35 0.00 *176 A 7.88 4.41 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 0.00 177 S 8.68 4.21 0.00 3.46 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 0.00 178 V 7.57 3.64 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 1.13 0.00 0.00 0.89 0.00 0.00 179 K 8.16 3.91 0.00 2.00 2.04 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.51 1.08 7.81 180 Y 8.37 3.96 0.00 3.32 3.40 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 0.00 181 F 8.79 4.30 0.00 3.54 3.40 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 0.00 182 L 8.36 3.87 0.00 1.70 1.78 1.15 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 183 K 8.10 4.04 0.00 1.79 1.69 0.00 1.74 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.42 7.81 184 E 8.01 4.28 0.00 1.16 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 1.70 1.74 0.00 185 I 6.99 3.91 1.64 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.95 1.03 0.00 0.00 186 L 6.96 3.55 0.00 0.70 1.33 0.89 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 187 P 0.00 4.37 0.00 2.10 2.01 0.00 3.50 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.07 0.00 188 D 7.67 4.54 0.00 2.84 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *190 L 7.94 4.20 0.00 1.63 1.78 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 191 A 7.63 4.35 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 0.00 192 E 7.61 4.09 0.00 2.29 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 2.65 2.79 0.00 193 K 8.59 3.83 0.00 1.71 1.75 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.46 7.81 194 G 8.80 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 0.00 0.00 0.00 195 I 7.57 3.80 2.01 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.02 0.96 0.00 0.00 196 E 8.16 4.01 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 2.27 2.28 0.00 197 K 7.93 4.14 0.00 1.90 1.88 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.46 1.36 7.81 198 T 7.32 4.54 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 1.13 0.00 0.00 199 E 8.34 4.46 0.00 2.02 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 2.33 2.37 0.00 200 L 7.76 3.87 0.00 1.63 1.55 0.53 0.41 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 0.00 201 P 0.00 4.23 0.00 2.15 2.12 0.00 3.51 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 2.12 2.17 0.00 202 Q 8.00 3.96 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.91 0.00 0.00 0.00 0.00 0.00 2.43 2.62 0.00 203 L 8.30 4.05 0.00 1.83 1.81 1.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 204 T 8.50 3.94 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 1.26 0.00 0.00 205 T 7.58 3.84 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 206 E 8.16 4.09 0.00 2.19 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 2.32 2.54 0.00 207 I 7.91 3.75 1.81 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 1.57 0.51 0.85 0.00 0.00 208 T 7.27 3.05 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 1.11 0.00 0.00 209 T 7.31 4.64 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 1.18 0.00 0.00 210 K 7.61 4.17 0.00 1.75 1.63 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.75 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.39 1.26 7.81 * Residues marked with a * may have inaccurate shift predictions.