NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 P 4.3980 0.0000 0.0000 62.8786 32.6554 179.5265 5 D 4.1057 8.8742 120.5193 54.4421 40.8003 175.3195 6 L 3.9821 8.6606 122.6635 58.0271 42.3611 178.1591 7 N 4.2991 7.7132 116.1732 56.2485 38.5071 177.1411 8 K 3.8999 8.0768 120.4780 59.4942 32.2605 178.2617 9 L 4.0840 8.0531 120.5264 58.2992 41.8153 179.0409 10 L 4.1859 7.9132 120.3291 58.2460 41.5516 179.7615 11 E 4.2358 8.2055 117.9483 61.2077 29.9348 181.9946 12 L 4.4159 8.5320 120.6106 56.8230 41.5311 179.1213 13 W 4.1598 8.4729 128.9086 60.2545 30.6222 175.8585 14 P 4.2545 0.0000 0.0000 66.1375 30.6930 178.2625 15 H 4.0889 8.0537 114.0581 58.9439 28.8877 177.4538 16 I 3.5247 7.2173 121.6575 64.6996 36.8808 178.2226 17 Q 3.7291 7.8082 120.2679 58.8870 28.6839 178.1922 18 E 3.9124 7.9012 119.6747 59.5010 29.4857 178.4889 19 Y 4.0100 8.0985 119.6368 60.8334 38.7554 178.0962 20 Q 3.6536 7.8714 120.2133 58.9949 29.1316 177.9275 21 D 4.2549 8.0190 120.0089 57.2494 40.5817 178.3792 22 L 3.9191 8.5554 121.4599 58.0109 41.9473 178.9832 23 A 3.7944 7.7648 120.6905 54.9623 18.2361 179.2630 24 L 3.9885 7.7168 118.9403 57.3008 41.5410 179.5078 25 K 3.7754 7.6783 117.6382 59.6629 31.9700 177.2368 26 H 4.7557 7.5633 113.6402 55.4739 29.4474 176.0510 27 G 3.7808 8.1237 108.0079 45.7238 0.0000 174.0500 28 I 4.2615 7.6322 121.4941 59.1455 37.7926 176.2621 29 N 4.3671 8.7781 124.1091 55.8234 38.7351 175.6283 30 D 4.5788 7.6144 117.0761 52.4792 44.3588 175.7240 31 I 3.5936 7.9536 119.2982 62.9525 37.8441 177.1884 32 F 5.0804 8.0778 117.7611 57.1750 39.4602 174.8232 33 Q 4.6351 7.6319 121.7366 55.5649 30.8879 174.8613 34 D 4.5349 9.7554 122.5239 55.3760 38.8249 173.3429 35 N 4.3259 8.3152 112.1509 54.5559 36.0491 176.8192 36 G 4.0007 7.8886 108.8429 47.4745 0.0000 176.0979 37 G 3.8477 8.5154 108.6840 47.2829 0.0000 175.4333 38 K 4.2986 8.1323 120.0734 58.4854 32.4436 178.8247 39 L 3.9712 7.8366 120.2887 58.0978 42.0371 178.5559 40 L 3.8842 8.0478 120.2762 58.1109 41.9394 178.7124 41 Q 3.9854 7.5929 119.4825 59.3009 29.0221 178.5546 42 V 3.5106 7.6572 119.0375 65.7785 31.5584 177.9423 43 L 3.9107 7.9159 118.6959 57.9756 41.3210 179.6066 44 L 4.0924 7.6637 117.2748 57.6717 41.5203 179.5243 45 I 3.8182 7.4229 119.4102 64.5413 37.2989 178.3824 46 T 3.9955 8.0680 110.1760 62.8704 68.5591 175.4073 47 G 3.8233 8.2742 108.9449 45.4865 0.0000 173.2119 48 L 4.4422 7.3083 119.1325 54.3206 43.2034 176.2528 49 T 4.6863 8.1998 115.8172 61.6321 71.5042 174.9685 50 V 4.2903 8.5495 118.9123 61.6138 32.7503 175.1629 51 L 4.6702 8.4631 124.0647 53.0562 44.4180 176.1287 *52 P 4.2204 0.0000 0.0000 62.6959 32.6356 175.2224 *55 E 4.3661 8.2818 114.8543 55.2691 33.0325 177.9036 56 G 3.9092 8.7061 110.6434 47.1237 0.0000 176.5836 57 N 4.4425 9.3141 114.1766 53.7180 40.0454 174.1655 58 D 4.8079 8.8986 120.6121 55.4737 43.3337 175.9669 59 A 5.4810 7.7608 118.1097 50.5835 23.7609 174.9610 60 V 5.2361 8.6952 117.0037 60.8151 35.3004 174.1355 61 D 5.1918 9.3026 125.3261 52.5018 41.5640 177.6427 62 N 4.4742 8.9450 115.2068 55.3715 37.5039 174.6715 63 A 4.1075 8.0090 118.9327 53.8334 18.6257 178.2104 64 G 3.9711 8.6070 104.2922 44.8984 0.0000 173.4997 65 Q 3.9938 8.9241 122.8046 55.7828 29.5386 174.7598 66 E 4.9071 8.2626 124.5847 55.8486 31.1981 175.0873 67 Y 4.9216 9.0524 119.3468 56.2741 42.9984 173.7181 68 E 4.6113 8.5712 122.2224 54.4596 31.4881 174.5113 69 L 5.1007 8.8476 127.2295 52.9206 44.0785 176.0654 70 K 4.7789 9.2368 121.6042 54.7762 36.5212 175.0629 71 S 5.6443 8.6505 115.6224 57.3402 66.2685 172.5674 72 I 4.2489 8.5441 120.5918 60.1164 41.8755 172.8452 73 N 5.3061 8.5824 127.8860 51.7630 39.4460 174.6239 74 I 4.8145 8.5266 118.0503 61.7746 37.3300 177.0243 75 D 4.5251 8.4139 123.2753 56.5967 41.3307 176.9869 76 L 4.4382 8.1560 117.7613 55.9335 43.0351 176.2273 77 T 4.6757 7.5942 112.9446 60.9713 70.8596 173.7367 78 K 4.8543 8.5450 124.4398 54.4575 34.2574 175.3366 79 G 4.5045 8.0093 107.2521 45.2432 0.0000 173.2167 80 F 4.6565 10.0400 125.1371 57.1626 40.1190 175.5725 81 S 4.5602 9.0177 119.9808 59.1271 63.1370 172.5298 82 T 4.6631 9.1875 110.3758 62.3360 71.2508 173.4996 83 H 4.7068 7.4922 119.5258 54.0212 33.2583 174.1613 84 H 4.1600 8.8444 126.2139 59.0980 30.2088 173.6735 85 H 5.3754 7.9842 114.7915 53.8166 28.6661 171.6414 86 M 4.2053 9.0622 121.1538 55.3422 33.6860 174.8900 87 N 4.9396 8.2713 122.5041 49.4262 41.4720 173.3365 88 P 4.0156 0.0000 0.0000 65.0571 30.8193 178.6240 89 V 3.4104 8.0163 119.1004 65.8255 31.5034 177.5766 90 I 3.2787 7.6660 118.9560 64.5498 36.8374 178.0605 91 I 3.7192 7.6208 119.9599 64.4565 36.7241 178.1323 92 A 3.9552 7.6755 122.7419 55.7567 18.4102 180.3391 93 K 4.0668 7.7374 121.4953 60.2373 31.9389 180.5261 94 Y 4.9918 7.9970 118.6478 61.5287 37.7247 179.2832 95 R 3.9670 7.9080 116.9166 58.4454 30.1671 178.2455 96 Q 4.3169 8.5154 117.1669 56.4976 29.2464 175.9474 97 V 4.5383 7.1417 111.2263 58.7513 36.1085 172.9650 98 P 4.9795 0.0000 0.0000 62.6140 33.0845 175.0798 99 W 5.3834 9.6412 120.4039 55.1414 33.0605 174.8393 100 I 5.0171 8.7035 124.1090 59.6883 39.3503 174.4767 101 F 5.0682 9.2492 126.1488 55.7107 41.1581 174.4143 102 A 5.2714 9.4082 126.6740 50.3595 21.3192 175.0037 103 I 4.7382 9.2390 124.3656 60.2204 39.4555 174.7863 104 Y 5.1657 9.3248 123.6089 56.4344 42.7859 174.9141 105 R 4.8558 8.7754 120.1297 53.8240 31.7010 177.9363 106 G 4.0184 9.6440 118.6155 46.6025 0.0000 173.1489 107 I 4.1016 8.7161 117.5993 60.1369 38.3283 175.2860 108 A 4.3326 7.9318 125.7679 50.7969 17.7127 176.6148 109 I 3.0628 8.3721 122.1302 62.6356 38.4322 175.0819 110 E 4.5113 9.1485 127.8450 58.0918 30.5325 175.9760 111 A 4.8984 7.4567 118.0534 51.4892 23.0471 174.7033 112 I 5.2815 8.7044 119.1773 60.0743 41.5909 174.6625 113 Y 5.2704 9.4263 122.3549 56.3967 42.8622 174.3454 114 R 5.4878 8.8101 118.3238 54.6796 34.2903 174.8583 115 L 5.2012 9.1290 122.2240 53.1229 45.7350 176.2667 116 E 4.7725 9.3168 122.7648 54.8303 30.9794 175.8513 117 P 4.5483 0.0000 0.0000 66.2070 30.7716 179.8248 118 K 4.0197 8.1088 122.2992 59.9852 31.5515 182.3737 119 D 4.7049 7.9422 116.8937 55.1116 41.1585 177.3648 120 L 4.4634 7.2588 118.5602 54.2038 43.1882 177.6299 121 E 4.1875 8.1338 119.8556 58.9901 29.2014 178.4639 122 F 4.1284 8.0339 120.3966 61.6648 39.5064 176.5196 123 Y 2.8733 7.1250 115.5248 60.3182 37.5274 177.5007 124 Y 4.2452 6.9740 117.8101 61.0688 37.8946 178.0063 125 D 4.4114 8.3028 121.5088 57.8207 41.3114 179.1126 126 K 3.8473 7.2337 124.0733 59.6383 31.5899 181.1352 127 W 4.7315 7.9060 120.6512 59.4434 28.8797 178.3044 128 E 4.0905 8.8228 121.9145 59.9918 29.1298 179.3976 129 R 4.1773 8.4033 120.8208 61.7480 29.4794 180.6736 130 K 4.2165 8.3644 120.5710 58.8641 32.2405 178.7016 131 W 3.9974 8.6599 129.0438 60.6648 30.6814 177.4619 132 Y 4.1629 8.5341 117.1244 61.3266 37.2631 178.9424 133 S 4.3645 8.4662 113.5299 60.6587 63.3064 174.8633 134 D 4.5867 7.9631 120.2179 54.4828 41.0321 175.9572 135 G 3.6943 7.5000 105.5100 47.1343 0.0000 173.2646 136 H 2.0000 7.3743 115.1148 56.1781 26.5321 175.6179 137 K 4.3093 7.1200 119.8418 52.7556 32.9364 178.7855 138 D 5.1234 8.6669 123.6325 54.1745 41.7521 175.8194 139 I 4.2014 8.7704 123.4927 60.2600 39.0252 175.0954 140 N 5.2829 8.7566 126.2774 52.3783 37.4266 172.9008 141 N 4.1453 8.5207 124.4259 53.1588 37.4920 171.8000 142 P 4.4480 0.0000 0.0000 62.5178 32.6711 177.4117 143 K 4.9465 8.6334 121.5555 55.1879 34.4499 175.7055 144 I 3.9655 8.4694 124.0414 58.6543 39.3889 173.8601 145 P 4.7154 0.0000 0.0000 62.3111 32.1744 177.7173 146 V 3.8181 8.5983 122.2185 66.1479 31.4357 178.4157 147 K 3.9784 8.1119 118.9025 59.6098 32.0113 178.0096 148 Y 4.0249 8.0632 120.0119 60.3805 38.6495 177.8730 149 V 3.1859 7.5599 118.7056 66.2695 31.4714 177.8382 150 M 3.0787 7.8179 117.2528 57.7865 31.8005 177.9681 151 E 4.1858 7.6625 116.2629 57.4204 30.0543 176.6380 152 H 4.5435 7.8420 113.5223 54.8629 30.6055 173.5741 153 G 4.1958 7.9120 106.6895 45.1290 0.0000 173.8738 154 T 4.5884 8.8525 117.7750 61.4223 69.5221 174.5251 155 K 3.1349 8.7486 128.2986 56.8622 32.2948 176.0630 156 I 4.4786 8.1781 119.2278 60.1318 39.0155 175.0453 157 Y 4.1242 7.3089 129.7120 58.6533 38.6375 173.2999 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 4 P 0.00 4.40 0.00 2.23 1.37 0.00 3.64 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.99 0.00 5 D 8.87 4.11 0.00 2.79 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 6 L 8.66 3.98 0.00 1.73 1.65 0.86 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 7 N 7.71 4.30 0.00 2.91 2.86 0.00 0.00 6.58 7.87 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 8 K 8.08 3.90 0.00 1.88 1.99 0.00 1.64 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.60 7.81 9 L 8.05 4.08 0.00 1.82 1.87 0.96 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 10 L 7.91 4.19 0.00 1.87 1.75 0.89 0.71 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 11 E 8.21 4.24 0.00 2.06 1.86 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 2.26 2.22 0.00 12 L 8.53 4.42 0.00 2.02 1.84 1.01 0.67 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 13 W 8.47 4.16 0.00 3.69 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 14 P 0.00 4.25 0.00 2.06 2.09 0.00 3.93 0.00 0.00 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.29 0.00 15 H 8.05 4.09 0.00 3.28 3.32 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 16 I 7.22 3.52 0.96 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 1.27 0.58 0.00 0.00 17 Q 7.81 3.73 0.00 1.85 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 18 E 7.90 3.91 0.00 2.28 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 2.30 2.43 0.00 19 Y 8.10 4.01 0.00 2.92 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 20 Q 7.87 3.65 0.00 1.97 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.59 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 21 D 8.02 4.25 0.00 2.93 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 22 L 8.56 3.92 0.00 1.79 1.66 0.94 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 23 A 7.76 3.79 1.13 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 24 L 7.72 3.99 0.00 1.83 1.70 0.88 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 25 K 7.68 3.78 0.00 1.80 2.12 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.25 1.43 7.81 26 H 7.56 4.76 0.00 3.19 3.26 0.00 5.76 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 27 G 8.12 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 28 I 7.63 4.26 1.89 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 1.25 1.17 0.80 0.00 0.00 29 N 8.78 4.37 0.00 2.68 2.86 0.00 0.00 6.86 8.06 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 30 D 7.61 4.58 0.00 2.68 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 0.00 0.00 0.00 0.00 31 I 7.95 3.59 1.58 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 -0.36 0.44 0.00 0.00 32 F 8.08 5.08 0.00 3.38 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 33 Q 7.63 4.64 0.00 2.49 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.16 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 34 D 9.76 4.53 0.00 2.81 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 35 N 8.32 4.33 0.00 2.94 2.89 0.00 0.00 6.86 7.58 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 36 G 7.89 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 0.00 0.00 0.00 37 G 8.52 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 38 K 8.13 4.30 0.00 1.82 1.63 0.00 1.36 0.00 0.00 0.61 0.00 0.00 2.38 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.98 1.27 7.81 39 L 7.84 3.97 0.00 1.74 1.79 0.91 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.05 3.88 0.00 1.63 1.72 0.75 -0.07 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 41 Q 7.59 3.99 0.00 2.28 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 42 V 7.66 3.51 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 0.95 0.00 0.00 1.00 0.00 0.00 43 L 7.92 3.91 0.00 1.86 1.76 0.90 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 44 L 7.66 4.09 0.00 1.70 1.68 0.87 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 45 I 7.42 3.82 1.63 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.45 0.53 0.00 0.00 46 T 8.07 4.00 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 1.16 0.00 0.00 47 G 8.27 3.82 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 0.00 0.00 0.00 48 L 7.31 4.44 0.00 1.45 1.59 0.65 1.09 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 49 T 8.20 4.69 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 50 V 8.55 4.29 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 0.66 0.00 0.00 1.01 0.00 0.00 51 L 8.46 4.67 0.00 1.67 1.53 1.07 0.84 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 *52 P 0.00 4.22 0.00 1.82 1.85 0.00 3.64 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 1.83 2.07 0.00 *55 E 8.28 4.37 0.00 2.01 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 2.13 1.89 0.00 56 G 8.71 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 N 9.31 4.44 0.00 2.77 2.74 0.00 0.00 6.73 8.06 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 58 D 8.90 4.81 0.00 2.55 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 59 A 7.76 5.48 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 V 8.70 5.24 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 0.70 0.00 0.00 1.04 0.00 0.00 61 D 9.30 5.19 0.00 2.89 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 N 8.95 4.47 0.00 2.76 2.79 0.00 0.00 6.61 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 A 8.01 4.11 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 64 G 8.61 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 Q 8.92 3.99 0.00 2.08 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.81 0.00 0.00 0.00 0.00 0.00 2.20 1.47 0.00 66 E 8.26 4.91 0.00 1.79 1.78 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 2.26 2.30 0.00 67 Y 9.05 4.92 0.00 2.88 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 68 E 8.57 4.61 0.00 1.50 1.12 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 1.47 1.47 0.00 69 L 8.85 5.10 0.00 1.54 1.47 0.90 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 70 K 9.24 4.78 0.00 1.20 1.65 0.00 1.16 0.00 0.00 1.07 0.00 0.00 3.20 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.54 1.55 7.81 71 S 8.65 5.64 0.00 4.00 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 72 I 8.54 4.25 1.09 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.02 0.67 0.00 0.00 73 N 8.58 5.31 0.00 2.79 2.68 0.00 0.00 6.89 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 I 8.53 4.81 1.87 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 1.58 1.15 0.88 0.00 0.00 75 D 8.41 4.53 0.00 3.10 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 76 L 8.16 4.44 0.00 1.59 1.69 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 77 T 7.59 4.68 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 1.15 0.00 0.00 78 K 8.55 4.85 0.00 1.44 1.68 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.80 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.32 0.97 7.81 79 G 8.01 4.50 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 0.00 0.00 0.00 80 F 10.04 4.66 0.00 3.16 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 81 S 9.02 4.56 0.00 3.85 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 82 T 9.19 4.66 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 1.46 0.00 0.00 83 H 7.49 4.71 0.00 3.28 3.11 0.00 5.68 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 H 8.84 4.16 0.00 3.19 3.28 0.00 5.68 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 85 H 7.98 5.38 0.00 3.12 3.39 0.00 5.75 0.00 0.00 0.00 0.00 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 M 9.06 4.21 0.00 2.03 1.72 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 1.99 0.00 87 N 8.27 4.94 0.00 2.07 3.08 0.00 0.00 5.98 7.76 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 88 P 0.00 4.02 0.00 1.88 1.95 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.44 0.00 89 V 8.02 3.41 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 0.90 0.00 0.00 0.74 0.00 0.00 90 I 7.67 3.28 1.71 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.37 0.15 0.00 0.00 91 I 7.62 3.72 1.95 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.92 0.87 0.00 0.00 92 A 7.68 3.96 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 93 K 7.74 4.07 0.00 1.76 1.82 0.00 1.85 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.35 7.81 94 Y 8.00 4.99 0.00 3.14 3.34 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 95 R 7.91 3.97 0.00 1.90 1.94 0.00 3.09 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.33 0.00 96 Q 8.52 4.32 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.69 0.00 0.00 0.00 0.00 0.00 2.38 2.70 0.00 97 V 7.14 4.54 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 0.69 0.00 0.00 1.03 0.00 0.00 98 P 0.00 4.98 0.00 2.44 2.47 0.00 3.40 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 99 W 9.64 5.38 0.00 3.11 2.50 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 0.00 100 I 8.70 5.02 1.81 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.00 0.94 0.00 0.00 101 F 9.25 5.07 0.00 3.06 2.68 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 0.00 102 A 9.41 5.27 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 0.00 103 I 9.24 4.74 2.04 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.39 1.00 0.00 0.00 104 Y 9.32 5.17 0.00 3.10 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 R 8.78 4.86 0.00 1.77 1.87 0.00 3.41 0.00 0.00 3.32 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 2.00 0.00 106 G 9.64 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 0.00 0.00 0.00 107 I 8.72 4.10 1.91 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 1.38 0.76 0.93 0.00 0.00 108 A 7.93 4.33 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 0.00 109 I 8.37 3.06 1.66 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.55 0.82 0.00 0.00 110 E 9.15 4.51 0.00 2.03 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 2.49 2.45 0.00 111 A 7.46 4.90 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 0.00 112 I 8.70 5.28 1.94 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 1.23 0.68 0.97 0.00 0.00 113 Y 9.43 5.27 0.00 3.02 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 0.00 114 R 8.81 5.49 0.00 2.00 1.91 0.00 3.09 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 115 L 9.13 5.20 0.00 1.90 1.64 0.92 0.68 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 0.00 116 E 9.32 4.77 0.00 2.34 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 117 P 0.00 4.55 0.00 2.26 2.42 0.00 3.69 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 2.20 2.31 0.00 118 K 8.11 4.02 0.00 1.76 1.82 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.11 7.81 119 D 7.94 4.70 0.00 2.69 2.73 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 0.00 120 L 7.26 4.46 0.00 1.23 0.48 -0.04 0.45 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 0.00 121 E 8.13 4.19 0.00 2.38 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 2.39 2.44 0.00 122 F 8.03 4.13 0.00 2.94 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 0.00 123 Y 7.12 2.87 0.00 2.12 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 0.00 124 Y 6.97 4.25 0.00 3.20 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 0.00 125 D 8.30 4.41 0.00 2.93 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 0.00 126 K 7.23 3.85 0.00 1.78 1.80 0.00 1.86 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.35 7.81 127 W 7.91 4.73 0.00 3.57 3.22 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 0.00 128 E 8.82 4.09 0.00 2.32 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 2.70 2.63 0.00 129 R 8.40 4.18 0.00 1.84 1.94 0.00 3.33 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 130 K 8.36 4.22 0.00 1.99 2.23 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.52 7.81 131 W 8.66 4.00 0.00 3.53 3.12 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 0.00 0.00 0.00 132 Y 8.53 4.16 0.00 3.32 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 S 8.47 4.36 0.00 4.05 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 0.00 134 D 7.96 4.59 0.00 3.01 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 0.00 135 G 7.50 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 0.00 0.00 0.00 136 H 7.37 2.00 0.00 2.93 2.81 0.00 5.84 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 K 7.12 4.31 0.00 1.77 1.59 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.30 1.01 7.81 138 D 8.67 5.12 0.00 2.69 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 0.00 139 I 8.77 4.20 1.76 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.90 0.88 0.00 0.00 140 N 8.76 5.28 0.00 2.70 2.71 0.00 0.00 7.30 7.79 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 0.00 141 N 8.52 4.15 0.00 2.74 2.70 0.00 0.00 7.14 7.23 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 0.00 142 P 0.00 4.45 0.00 1.79 1.79 0.00 3.44 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.10 0.00 143 K 8.63 4.95 0.00 1.69 1.88 0.00 1.85 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.41 7.81 144 I 8.47 3.97 1.98 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 0.52 0.97 0.57 0.00 0.00 145 P 0.00 4.72 0.00 2.31 2.05 0.00 3.59 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.16 0.00 146 V 8.60 3.82 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 1.05 0.00 0.00 0.77 0.00 0.00 147 K 8.11 3.98 0.00 1.89 1.85 0.00 1.79 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.57 7.81 148 Y 8.06 4.02 0.00 3.15 3.10 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 0.00 0.00 0.00 0.00 149 V 7.56 3.19 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 0.49 0.00 0.00 -0.24 0.00 0.00 150 M 7.82 3.08 0.00 1.82 1.94 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.07 0.00 151 E 7.66 4.19 0.00 1.84 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 0.00 2.23 2.56 0.00 152 H 7.84 4.54 0.00 2.56 2.99 0.00 5.83 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 G 7.91 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 0.00 0.00 0.00 0.00 154 T 8.85 4.59 4.31 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 1.23 0.00 0.00 155 K 8.75 3.13 0.00 1.46 1.56 0.00 1.54 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.13 0.85 7.81 156 I 8.18 4.48 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 1.16 0.86 0.96 0.00 0.00 157 Y 7.31 4.12 0.00 2.96 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 * Residues marked with a * may have inaccurate shift predictions.