NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 S 4.5029 8.3193 115.4097 57.9025 64.4423 173.8544 13 N 4.4994 8.5649 121.1829 51.1778 39.4643 173.8798 14 P 4.2258 0.0000 0.0000 65.9401 31.7053 179.7711 15 I 3.6947 7.8947 117.7341 64.7656 37.1890 178.0815 16 Q 3.9655 8.8038 118.5176 59.0390 28.6019 179.0975 17 A 3.9484 8.0935 121.5244 55.1563 18.4766 179.3057 18 E 3.8700 8.5847 118.2690 59.3278 29.6754 179.0932 19 V 3.6382 7.9636 118.3175 66.1585 31.6478 177.9615 20 L 4.1390 7.8244 118.3188 57.7244 41.2739 179.5023 21 K 4.0331 8.1604 119.6570 59.3177 32.2625 178.9436 22 R 3.9143 8.1595 118.9868 59.5538 30.1502 178.5461 23 V 3.6385 8.2836 118.2573 66.0517 31.4962 177.7076 24 A 3.9442 8.3300 120.6846 55.1334 18.3340 179.3015 25 E 4.1234 8.1280 115.8513 58.8196 29.8843 179.5647 26 V 3.5165 7.6260 119.3498 66.1925 31.4754 178.0894 27 F 3.9288 8.3672 116.0474 60.0699 38.8090 176.6587 28 D 4.6452 8.0875 116.2070 55.7430 41.2263 176.8451 29 Q 4.4745 8.1665 114.8083 56.2406 31.4456 175.4670 30 H 4.7488 8.3399 114.1114 55.5285 29.4502 175.2491 31 V 4.0679 7.4284 119.6110 60.0527 33.1288 172.7396 32 P 4.2178 0.0000 0.0000 66.0070 31.3199 178.2915 33 F 4.3537 8.2001 118.4200 61.5489 39.2334 176.7424 34 H 4.2280 8.1458 115.6897 58.8088 28.3613 177.3328 35 N 4.3161 8.1285 117.6058 56.0603 38.4146 176.8170 36 L 4.0257 7.9317 121.1989 57.8562 42.2272 178.3980 37 L 4.2622 7.4580 116.7362 54.4911 42.0350 177.4315 38 G 3.7804 8.2153 106.6667 45.4036 0.0000 172.7729 39 L 4.2256 7.7647 121.8785 54.4894 42.6119 175.5585 40 D 5.2312 9.1152 126.1936 52.6555 44.5664 175.7360 41 I 4.3126 8.4333 123.5859 60.0024 36.5806 175.6082 42 K 4.1878 8.7653 130.0509 58.9974 32.8821 177.3269 43 R 4.7315 7.8124 118.9679 55.0892 33.8608 173.5812 44 Y 5.3408 8.5446 127.5330 56.9807 41.1478 172.8611 45 D 4.5788 8.7529 126.4693 51.4051 42.7465 175.8508 46 I 3.5599 8.1969 117.9957 63.6078 37.8360 176.2718 47 D 4.5046 8.9279 118.6692 54.5975 41.5800 176.9680 48 G 3.9054 6.4075 105.8532 44.5803 0.0000 171.4028 49 V 5.2330 7.7636 118.7526 59.9873 35.2442 174.8913 50 E 4.7614 9.2010 121.4198 54.8769 32.8736 173.7872 51 V 4.9566 8.9887 127.3030 61.0393 34.2726 174.1314 52 A 5.3581 9.0189 128.7433 50.3021 22.7772 174.8279 53 I 4.6661 8.6827 120.4588 59.1823 41.3211 173.1450 54 N 5.4998 8.8467 135.0000 53.0333 37.6214 175.5518 *56 K 4.1381 8.3736 124.2311 56.8435 34.1344 174.9179 57 P 4.2162 0.0000 0.0000 66.1696 31.2884 178.3820 58 E 4.1387 8.1697 114.7805 58.2808 29.7292 177.3648 59 L 4.4610 8.0190 118.2695 54.5007 42.4299 176.6552 60 I 4.2230 7.5533 120.5384 61.4277 37.5605 175.9965 61 G 3.9160 8.8277 112.8946 46.1749 0.0000 173.5411 62 N 4.8553 7.7685 118.2023 51.3239 41.2867 174.5367 63 I 3.7431 8.6278 120.1682 64.2689 38.0181 176.8649 64 H 4.3501 8.4428 119.5795 58.9641 29.6779 175.8204 65 Q 4.1025 8.7739 115.5995 55.4910 29.2850 175.1417 66 Q 3.3997 7.4827 118.2506 57.2659 28.0684 172.6679 67 I 4.8082 7.1246 109.1990 58.5339 41.2329 175.4874 68 L 4.2466 8.4364 126.4550 55.4467 42.8278 176.2272 69 H 4.2088 8.8684 126.1759 55.8222 30.5612 176.4214 70 G 3.8844 8.8563 112.2703 47.7637 0.0000 176.0336 71 G 3.6993 8.4256 107.5228 47.8073 0.0000 175.7275 72 V 3.6003 7.7594 121.0181 65.9734 31.4579 177.9404 73 T 3.7954 8.0195 114.6157 66.7892 68.2633 176.0058 74 A 4.0032 8.1328 122.2990 55.5133 18.4240 179.7348 75 T 3.8977 8.2155 114.2701 66.8232 68.5160 176.9656 76 V 3.5932 8.1445 120.3409 66.0658 31.5961 177.9010 77 L 3.9990 8.1411 118.8789 57.8954 41.4328 179.0912 78 D 4.4846 8.4316 118.0356 57.4941 41.2400 178.5050 79 V 3.6941 8.0054 118.7741 65.9378 31.4369 178.0882 80 V 3.6513 8.1938 118.4430 65.8878 31.2802 178.3050 81 G 4.1828 7.8129 106.9175 47.1641 0.0000 175.8174 82 G 3.1057 7.8552 108.4203 47.4260 0.0000 175.8134 83 L 3.8241 7.6480 121.8992 57.4465 41.5175 179.8108 84 T 3.9114 8.1012 115.8316 66.5747 68.3766 176.6501 85 A 3.9789 8.1213 123.1515 54.9498 18.2559 179.5376 86 F 3.9219 8.3618 119.2106 61.2035 39.4983 177.2611 87 A 3.9089 8.6404 121.0965 55.1379 17.9440 179.8679 88 G 3.5273 7.8731 103.1279 47.5986 0.0000 175.4261 89 L 4.1249 7.6029 122.6127 58.0902 41.8349 179.2088 90 V 3.1050 7.4095 118.0722 65.8387 31.1321 177.6077 91 A 4.0110 7.9020 119.2179 54.2423 18.3940 179.2337 92 S 4.2665 7.9098 111.7677 59.5728 63.6248 174.5963 93 R 4.4587 7.1807 120.6148 54.3033 33.0531 174.8514 94 D 4.7360 8.4696 119.5650 53.5303 40.0907 176.2398 95 D 4.9088 7.2737 119.2851 52.8756 39.9009 176.1867 96 W 4.5895 8.1407 118.7565 57.7679 30.2166 176.0810 97 T 4.8301 8.2977 110.0209 59.6143 72.4695 175.1554 98 I 3.7595 8.2306 122.2632 64.7314 37.1240 178.5964 99 E 4.0252 8.1553 118.9590 59.2812 29.3429 178.8948 100 E 4.0291 8.2930 119.4012 59.3552 29.8238 178.9050 101 L 3.8495 7.9293 118.6529 57.4489 41.6877 179.1543 102 Q 4.0395 8.1905 119.8185 58.8330 28.8348 177.7153 103 Q 4.0905 7.9218 120.4410 58.8047 29.0130 178.2108 104 R 3.9961 7.9650 119.5221 59.0894 29.9290 178.6382 105 L 3.6385 7.9623 119.0341 57.9711 41.9972 178.6380 106 Q 4.1545 7.4006 116.5577 58.5121 28.8827 177.5894 107 T 4.1822 7.4979 113.0304 62.5048 67.6813 174.6096 108 L 3.9769 7.4244 122.8621 55.9249 42.6574 176.2032 109 G 4.1581 8.3724 111.9759 45.3640 0.0000 171.8578 110 T 4.3367 8.4622 117.0499 62.4963 69.5125 175.1393 111 I 3.9863 8.6404 128.7464 63.2390 37.8694 175.3112 112 D 4.4049 7.0951 116.6139 52.0274 42.2383 172.9366 *114 R 4.3135 8.2920 117.7756 56.4616 31.3440 174.4322 115 V 4.7134 8.4031 125.4652 61.1004 34.0331 174.2096 116 D 4.7936 9.1998 127.8688 52.6931 43.1746 175.2142 117 Y 4.4312 8.5511 122.7358 57.6557 37.7170 175.6732 118 L 4.2699 8.5667 125.5311 56.8497 42.3808 177.7258 119 R 4.7111 7.6474 113.8663 53.3867 34.3300 172.9917 120 P 4.2814 0.0000 0.0000 62.9793 32.3139 178.3871 121 G 3.9458 8.5212 112.8951 44.9684 0.0000 172.6264 122 R 4.8312 7.7811 117.7229 54.0208 32.1643 177.0083 123 G 3.6596 7.9306 111.8104 45.9094 0.0000 171.8286 124 Q 4.2370 8.8372 120.2636 56.8481 30.0464 175.9418 125 I 4.6913 7.1951 117.2683 59.3360 41.3598 174.3358 126 F 5.1133 9.3065 125.4493 55.9674 41.8713 174.6033 127 T 5.0596 9.5079 120.1820 61.6473 71.7790 173.1819 128 G 5.1113 9.5295 113.4754 44.5263 0.0000 172.0580 129 T 5.2988 8.1467 109.3874 60.4591 72.5625 172.4525 130 G 4.3513 8.3875 108.2350 45.9185 0.0000 171.8930 131 S 4.7997 8.7687 112.8730 56.8513 66.7699 173.8616 132 V 4.2449 8.3568 121.9772 62.5375 31.7527 175.6502 133 I 4.2808 8.3772 120.8466 61.5950 39.1841 175.9728 134 R 4.5020 7.8300 123.4575 55.1445 32.8564 173.0790 135 A 4.9666 8.7540 128.8424 50.4430 20.6702 176.0027 136 G 4.6333 8.7215 109.5366 42.9100 0.0000 172.0668 137 N 4.7094 8.6789 116.6494 54.5019 39.5461 176.2909 138 R 4.6127 8.0726 112.3944 56.8067 32.2594 176.4526 139 V 4.8099 7.7253 118.3257 60.9532 35.0807 174.5583 140 S 5.2332 9.2761 122.5495 56.7515 67.4399 172.9182 141 V 4.9724 8.9046 122.6999 61.4812 34.1372 174.2568 142 C 5.4709 9.6805 124.4180 58.1634 32.6923 172.9504 143 R 5.1830 8.6296 119.0478 53.4208 33.9107 174.3928 *145 E 4.8361 8.4023 119.6077 56.3270 31.3448 173.9376 146 L 5.4971 8.9254 126.9014 53.6493 45.5275 174.8154 147 H 5.8939 9.4624 120.3985 53.3127 32.7618 173.0396 148 N 4.7139 8.6845 117.5317 51.4178 39.0744 175.3296 149 E 4.0240 7.8884 115.6648 58.4919 29.4576 177.6416 150 Q 4.1251 8.2529 117.8882 56.1639 29.1931 176.7325 151 G 3.8664 8.4555 106.9096 45.4357 0.0000 173.3819 152 T 4.2236 7.6787 110.1431 60.4044 70.0375 173.7910 153 H 4.8764 8.5393 122.7083 56.1725 29.4178 175.1258 154 I 4.2325 9.2391 126.1064 63.6522 38.6117 175.8016 155 A 4.8086 7.6169 120.3133 50.9703 22.4563 175.2458 156 F 5.6192 8.9233 118.4531 55.8814 42.1004 175.0020 157 G 4.5905 8.5465 106.8915 45.0827 0.0000 171.4767 158 T 5.2234 8.7668 116.8627 61.7792 72.2782 173.9321 159 G 4.1335 9.6414 113.5337 44.5825 0.0000 171.4483 160 T 5.0104 8.5435 119.6910 61.4668 70.5098 171.9561 161 Y 5.5161 9.2082 127.0120 57.2683 41.5573 178.5205 *163 V 4.1623 8.6213 120.9236 61.5084 33.5429 175.5717 164 G 4.1108 7.8311 113.7114 47.0296 0.0000 173.5629 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 12 S 8.32 4.50 0.00 4.06 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 N 8.56 4.50 0.00 3.03 3.03 0.00 0.00 7.03 6.89 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 14 P 0.00 4.23 0.00 2.19 2.16 0.00 3.63 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 15 I 7.89 3.69 2.09 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 1.67 0.90 0.98 0.00 0.00 16 Q 8.80 3.97 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.46 2.62 0.00 17 A 8.09 3.95 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 18 E 8.58 3.87 0.00 2.25 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 2.38 0.00 19 V 7.96 3.64 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 1.20 0.00 0.00 0.99 0.00 0.00 20 L 7.82 4.14 0.00 2.02 1.59 0.84 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.16 4.03 0.00 1.98 1.99 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.48 7.81 22 R 8.16 3.91 0.00 2.00 2.21 0.00 3.21 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 23 V 8.28 3.64 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 0.62 0.00 0.00 0.89 0.00 0.00 24 A 8.33 3.94 1.57 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 0.00 0.00 25 E 8.13 4.12 0.00 2.22 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.43 0.00 26 V 7.63 3.52 2.42 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 0.91 0.00 0.00 0.96 0.00 0.00 27 F 8.37 3.93 0.00 2.92 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 28 D 8.09 4.65 0.00 2.80 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 29 Q 8.17 4.47 0.00 2.28 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.21 0.00 0.00 0.00 0.00 0.00 2.32 2.48 0.00 30 H 8.34 4.75 0.00 3.13 3.26 0.00 5.79 0.00 0.00 0.00 0.00 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 V 7.43 4.07 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 0.63 0.00 0.00 0.55 0.00 0.00 32 P 0.00 4.22 0.00 2.20 2.13 0.00 3.59 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 2.10 2.15 0.00 33 F 8.20 4.35 0.00 3.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 8.15 4.23 0.00 3.32 3.45 0.00 5.69 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 N 8.13 4.32 0.00 2.81 2.85 0.00 0.00 6.99 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 7.93 4.03 0.00 1.71 1.74 0.92 1.27 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 37 L 7.46 4.26 0.00 1.36 1.52 -0.02 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 38 G 8.22 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 39 L 7.76 4.23 0.00 1.57 1.50 0.78 1.06 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 40 D 9.12 5.23 0.00 2.60 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 I 8.43 4.31 1.87 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 0.97 0.27 0.87 0.00 0.00 42 K 8.77 4.19 0.00 1.78 1.99 0.00 1.68 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.65 1.45 7.81 43 R 7.81 4.73 0.00 1.96 1.73 0.00 3.29 0.00 0.00 3.29 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 44 Y 8.54 5.34 0.00 2.81 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 45 D 8.75 4.58 0.00 2.75 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 46 I 8.20 3.56 1.78 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.73 0.86 0.00 0.00 47 D 8.93 4.50 0.00 2.85 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 48 G 6.41 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 49 V 7.76 5.23 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 0.75 0.00 0.00 0.89 0.00 0.00 50 E 9.20 4.76 0.00 2.05 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 2.22 2.28 0.00 51 V 8.99 4.96 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 0.91 0.00 0.00 0.89 0.00 0.00 52 A 9.02 5.36 1.21 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 53 I 8.68 4.67 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.67 1.05 0.00 0.00 54 N 8.85 5.50 0.00 2.76 2.46 0.00 0.00 7.12 7.61 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 *56 K 8.37 4.14 0.00 1.96 1.99 0.00 1.63 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.47 7.81 57 P 0.00 4.22 0.00 2.20 2.18 0.00 3.60 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.16 0.00 58 E 8.17 4.14 0.00 1.92 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 0.00 2.31 2.39 0.00 59 L 8.02 4.46 0.00 1.81 1.67 1.02 0.51 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 60 I 7.55 4.22 1.98 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 1.39 0.76 0.93 0.00 0.00 61 G 8.83 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 62 N 7.77 4.86 0.00 2.64 2.61 0.00 0.00 6.98 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 8.63 3.74 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 1.31 0.73 0.92 0.00 0.00 64 H 8.44 4.35 0.00 3.09 3.51 0.00 5.74 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 Q 8.77 4.10 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.49 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 66 Q 7.48 3.40 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.70 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 67 I 7.12 4.81 1.87 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 1.21 0.77 0.97 0.00 0.00 68 L 8.44 4.25 0.00 1.56 1.40 0.86 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 69 H 8.87 4.21 0.00 3.29 3.13 0.00 5.66 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 70 G 8.86 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 71 G 8.43 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 V 7.76 3.60 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 1.02 0.00 0.00 0.91 0.00 0.00 73 T 8.02 3.80 4.59 0.00 0.00 0.00 0.00 0.00 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 74 A 8.13 4.00 1.50 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 75 T 8.22 3.90 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 1.40 0.00 0.00 76 V 8.14 3.59 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.98 0.00 0.00 77 L 8.14 4.00 0.00 1.91 1.75 0.84 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 78 D 8.43 4.48 0.00 2.93 2.97 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 79 V 8.01 3.69 2.23 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 1.05 0.00 0.00 1.08 0.00 0.00 80 V 8.19 3.65 2.27 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 1.03 0.00 0.00 0.98 0.00 0.00 81 G 7.81 4.18 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 0.00 82 G 7.86 3.11 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 83 L 7.65 3.82 0.00 1.47 1.34 0.30 -0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 84 T 8.10 3.91 4.32 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 1.23 0.00 0.00 85 A 8.12 3.98 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 86 F 8.36 3.92 0.00 3.17 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 87 A 8.64 3.91 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 88 G 7.87 3.53 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 89 L 7.60 4.12 0.00 1.76 1.42 1.14 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 90 V 7.41 3.10 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.17 0.00 0.00 91 A 7.90 4.01 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 92 S 7.91 4.27 0.00 4.11 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 93 R 7.18 4.46 0.00 0.67 1.25 0.00 2.23 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 1.16 1.12 0.00 94 D 8.47 4.74 0.00 2.74 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 95 D 7.27 4.91 0.00 2.67 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 96 W 8.14 4.59 0.00 3.27 3.03 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 97 T 8.30 4.83 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 1.28 0.00 0.00 98 I 8.23 3.76 1.91 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 1.68 0.81 0.94 0.00 0.00 99 E 8.16 4.03 0.00 2.05 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 2.43 2.40 0.00 100 E 8.29 4.03 0.00 2.26 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 0.00 2.70 2.71 0.00 101 L 7.93 3.85 0.00 1.73 1.69 0.68 -0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 102 Q 8.19 4.04 0.00 2.41 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 103 Q 7.92 4.09 0.00 2.19 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.59 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 104 R 7.97 4.00 0.00 2.18 2.06 0.00 3.60 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.38 0.00 105 L 7.96 3.64 0.00 1.41 1.77 0.27 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 106 Q 7.40 4.15 0.00 2.36 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.76 0.00 0.00 0.00 0.00 0.00 2.52 2.50 0.00 107 T 7.50 4.18 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 1.40 0.00 0.00 108 L 7.42 3.98 0.00 1.90 1.77 0.98 1.04 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 0.00 109 G 8.37 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 T 8.46 4.34 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 0.93 0.00 0.00 111 I 8.64 3.99 1.91 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 1.35 0.48 0.88 0.00 0.00 112 D 7.10 4.40 0.00 2.79 2.70 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 0.00 0.00 0.00 0.00 *114 R 8.29 4.31 0.00 1.94 1.88 0.00 3.13 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 115 V 8.40 4.71 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 0.86 0.00 0.00 116 D 9.20 4.79 0.00 2.60 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 0.00 117 Y 8.55 4.43 0.00 2.84 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 0.00 118 L 8.57 4.27 0.00 1.47 1.55 -0.18 0.69 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 0.00 119 R 7.65 4.71 0.00 1.74 1.78 0.00 3.21 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 120 P 0.00 4.28 0.00 2.05 1.99 0.00 3.68 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 2.03 2.08 0.00 121 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 0.00 122 R 7.78 4.83 0.00 1.87 1.91 0.00 3.36 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 123 G 7.93 3.66 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 0.00 0.00 0.00 124 Q 8.84 4.24 0.00 1.88 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.53 0.00 0.00 0.00 0.00 0.00 2.22 2.25 0.00 125 I 7.20 4.69 1.75 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 1.42 0.86 0.91 0.00 0.00 126 F 9.31 5.11 0.00 2.93 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 0.00 127 T 9.51 5.06 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 1.25 0.00 0.00 128 G 9.53 5.11 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 0.00 129 T 8.15 5.30 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 1.28 0.00 0.00 130 G 8.39 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 0.00 0.00 0.00 0.00 131 S 8.77 4.80 0.00 3.86 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 V 8.36 4.24 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 0.93 0.00 0.00 0.92 0.00 0.00 133 I 8.38 4.28 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 1.25 0.79 0.89 0.00 0.00 134 R 7.83 4.50 0.00 1.87 1.80 0.00 3.17 0.00 0.00 3.36 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 135 A 8.75 4.97 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 0.00 136 G 8.72 4.63 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 0.00 0.00 0.00 137 N 8.68 4.71 0.00 2.86 2.86 0.00 0.00 6.38 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 0.00 138 R 8.07 4.61 0.00 1.85 2.02 0.00 3.05 0.00 0.00 3.18 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 139 V 7.73 4.81 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 1.09 0.00 0.00 0.97 0.00 0.00 140 S 9.28 5.23 0.00 3.85 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 0.00 141 V 8.90 4.97 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 1.04 0.00 0.00 0.96 0.00 0.00 142 C 9.68 5.47 0.00 3.00 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 0.00 143 R 8.63 5.18 0.00 1.66 1.71 0.00 3.09 0.00 0.00 3.04 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.34 0.00 *145 E 8.40 4.84 0.00 2.09 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.43 0.00 146 L 8.93 5.50 0.00 1.82 1.49 1.01 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 147 H 9.46 5.89 0.00 3.33 3.44 0.00 5.58 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 N 8.68 4.71 0.00 2.65 2.91 0.00 0.00 5.75 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 0.00 149 E 7.89 4.02 0.00 1.99 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 2.24 2.35 0.00 150 Q 8.25 4.13 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.89 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 151 G 8.46 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 0.00 152 T 7.68 4.22 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 1.21 0.00 0.00 153 H 8.54 4.88 0.00 3.08 3.12 0.00 5.69 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 0.00 154 I 9.24 4.23 1.93 0.00 0.00 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 1.34 1.13 0.93 0.00 0.00 155 A 7.62 4.81 1.07 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 0.00 0.00 156 F 8.92 5.62 0.00 2.88 2.76 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 0.00 157 G 8.55 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 T 8.77 5.22 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 1.26 0.00 0.00 159 G 9.64 4.13 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 0.00 160 T 8.54 5.01 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 0.00 161 Y 9.21 5.52 0.00 2.85 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 *163 V 8.62 4.16 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 0.83 0.00 0.00 1.13 0.00 0.00 164 G 7.83 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 * Residues marked with a * may have inaccurate shift predictions.