NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5490 8.2629 120.6069 55.4988 33.7414 173.8158 2 K 4.8467 7.9560 128.3357 53.1807 33.8722 171.6624 3 I 5.0201 9.2566 126.6341 58.4932 40.7695 173.9390 4 L 4.8724 9.0744 129.3104 53.7615 43.8940 175.0354 5 V 4.8395 8.8626 126.8701 61.3591 33.8580 174.1810 6 I 5.1052 9.1140 129.6912 59.9260 39.6593 174.5041 7 Q 4.7990 9.6451 127.7852 54.5077 30.6061 176.8864 8 G 4.3418 8.4126 114.0957 43.5404 0.0000 171.3716 9 P 4.3587 0.0000 0.0000 63.8339 31.5404 177.3479 10 N 4.3488 8.8721 113.5410 54.8340 38.2425 176.5875 11 L 3.5003 8.0245 117.3848 57.5534 41.4692 178.3260 12 N 4.4295 8.0347 115.0831 55.3157 37.8851 176.0711 13 M 4.4223 8.7690 119.1133 55.4702 32.3034 175.7468 14 L 4.2767 7.4697 120.7194 55.3476 42.1312 177.1793 15 G 3.9773 8.9832 115.6556 46.8585 0.0000 175.0663 *16 H 4.4919 8.2714 117.3782 56.9159 28.4264 180.1913 17 R 3.7262 7.1873 117.5572 59.1890 29.5364 180.1470 *23 G 3.7588 7.5742 109.2851 46.0062 0.0000 173.2577 24 M 4.4530 8.2717 115.8005 54.1082 29.7466 172.6640 25 V 4.5840 7.1704 119.9808 60.8285 35.3382 175.4859 26 T 4.9192 9.2126 118.9792 59.9826 71.5042 175.9079 27 L 3.7418 8.1357 122.7762 58.1593 42.0214 178.4443 28 D 4.2121 8.0018 118.4485 57.7878 40.7300 178.9845 29 Q 4.0733 7.7862 117.8640 58.8070 28.6095 178.9335 30 I 3.5966 7.2501 120.5488 64.5796 37.1204 178.2099 31 H 3.8413 7.7332 117.2162 58.6457 28.3426 177.7838 32 E 4.0188 8.2983 119.6435 59.1803 29.2072 179.2046 33 I 3.6804 7.7753 120.9454 64.6289 37.1390 177.6992 34 M 4.5260 7.8521 120.6796 58.2646 31.4204 178.4461 35 Q 4.0973 8.2912 117.3826 59.8617 29.0065 179.5287 36 T 4.1003 8.4521 116.4722 67.0003 68.5689 176.1801 37 F 4.0816 8.6513 122.5108 61.2831 39.5359 177.3302 38 V 3.6219 8.5275 120.5353 66.7311 31.2755 178.6857 39 K 4.0068 9.0709 122.8041 59.4104 31.5588 180.1279 40 Q 4.5191 8.0790 118.4623 58.6525 29.3455 177.6797 41 G 3.5237 8.0146 103.7916 44.9496 0.0000 172.4020 42 N 4.1738 7.8800 117.5362 54.0840 38.1664 173.3715 43 L 4.2737 7.2169 114.2067 53.2451 42.3693 177.2811 44 D 4.4470 8.4623 123.2821 54.0282 39.4357 174.3100 45 V 5.1179 7.5888 123.0766 60.1395 34.2544 173.8354 46 E 4.1915 8.8090 128.8703 56.2534 30.3641 176.0565 47 L 5.0913 8.4226 124.2469 52.8534 44.5056 175.4307 48 E 4.3647 8.5529 122.2358 54.2856 33.0009 174.2617 49 F 5.4754 8.4285 124.2799 55.8061 41.4787 174.8240 50 F 5.0381 9.5759 125.1038 56.5901 42.6484 172.9902 51 Q 5.0647 8.1691 126.1970 54.7808 31.7665 174.0279 52 T 4.4902 8.5460 118.2663 61.1400 70.7510 172.8110 53 N 4.7355 8.9992 123.1819 52.9580 39.1213 174.6133 54 F 4.7902 8.6011 119.3434 55.6055 40.7887 175.7083 55 E 3.6453 9.2184 127.1262 59.5588 29.1906 179.1026 56 G 3.7247 8.2069 104.7595 47.9609 0.0000 175.2363 57 E 4.3691 8.4100 120.6095 58.9085 29.5168 179.3670 58 I 3.8942 7.9910 119.6998 64.4661 37.2958 178.1760 59 I 3.6683 7.6818 120.2801 64.6263 37.0097 178.1764 60 D 4.3325 8.5988 119.9262 57.2904 40.6539 178.9624 61 K 3.9284 8.0156 121.4996 58.8694 31.9237 178.9542 62 I 3.6193 7.9927 119.3415 64.5785 37.1191 178.1704 63 Q 4.1012 7.9281 117.5803 58.9548 28.8980 178.4707 64 E 4.0998 8.1441 119.7166 58.6972 29.4731 179.2834 65 S 4.0353 7.6642 114.4532 61.3515 62.7818 176.7184 66 V 3.5227 7.3723 120.8355 64.4752 31.6355 175.6973 67 G 4.0654 8.5475 108.5063 45.8479 0.0000 173.2359 68 S 3.4777 8.8383 111.7775 57.8144 65.1765 177.7219 69 D 4.2219 8.0453 134.4267 56.0133 40.7490 175.6544 70 Y 4.7970 8.3442 119.0037 56.7896 38.8658 175.1466 71 E 4.4773 9.1351 124.9370 57.5544 30.8389 176.3810 72 G 4.3383 7.9059 104.8427 45.0683 0.0000 171.8444 73 I 5.2236 8.8308 121.3468 59.3750 40.6460 174.7080 74 I 4.9780 8.6787 127.6752 59.7785 40.0854 174.7987 75 I 4.9123 8.7654 125.7500 60.2321 41.9613 173.0605 76 N 5.5057 9.3094 129.6401 50.1315 38.6790 173.1095 77 P 4.5074 0.0000 0.0000 62.5193 32.8462 177.8999 78 G 3.7818 8.3811 108.2130 45.9869 0.0000 174.9574 79 A 3.9221 8.5200 119.2428 55.7142 18.2363 179.5792 80 F 4.6725 8.0915 115.4646 60.0728 38.9423 177.7490 81 S 4.6447 8.5859 117.5688 61.3694 62.5181 176.3238 82 H 4.6954 7.7019 115.7515 57.2798 28.9208 176.2807 83 T 4.7567 7.8096 106.6954 61.5389 70.5937 175.0099 84 S 4.3875 8.7296 117.6881 57.0350 60.5726 173.9238 85 I 3.3749 7.8823 127.9904 63.6605 37.1019 176.9877 86 A 3.9508 7.9178 120.9486 55.6316 18.1309 179.6424 87 I 3.6669 8.1474 117.7853 64.2205 37.2199 178.7031 88 A 4.0330 7.7142 121.9409 55.1728 18.1582 179.1338 89 D 4.3344 8.5548 116.4563 57.5445 41.1144 179.0195 90 A 4.1112 8.0556 121.0715 55.3577 18.3316 179.6960 91 I 3.7068 8.0441 118.5437 64.7843 36.8956 178.2123 92 M 4.2113 7.7646 117.7358 56.8807 31.8086 177.4804 93 L 4.4844 7.6817 117.7978 54.5600 41.9807 177.9448 94 A 3.8055 7.6573 122.1755 52.8241 19.4321 177.8477 95 G 3.9869 7.3793 105.1611 44.7541 0.0000 173.2898 96 K 4.5479 7.3396 118.6471 55.6270 34.4706 173.2954 97 P 4.3155 0.0000 0.0000 63.3779 32.4073 175.0773 98 V 4.8543 8.5276 123.8609 61.0888 34.4592 173.9151 99 I 4.6629 8.9645 128.6452 59.3898 40.1861 174.3214 100 E 5.1978 8.6834 128.1034 55.1545 31.0058 175.2718 101 V 4.7061 8.2028 125.6044 61.3397 35.0196 173.6485 102 H 4.9379 8.7663 123.0543 54.0647 32.4321 174.1983 103 L 4.0546 8.9194 123.4539 58.1525 42.2537 178.1969 104 T 4.4373 7.7578 106.4920 60.6528 70.5419 173.8338 105 N 4.6278 8.1235 120.1483 51.6874 38.2252 174.9474 106 I 3.8683 7.9248 119.4124 62.6983 38.1476 178.5830 107 Q 3.9338 7.6400 118.8873 58.5101 28.5518 177.0847 108 A 4.6046 8.2779 118.5525 51.7269 19.9044 177.3832 109 R 4.6066 7.2080 116.5365 56.6013 31.2923 175.9912 110 E 3.9550 8.1526 123.6197 56.6468 30.2972 176.8306 111 E 3.7373 8.5841 121.4118 59.6835 29.5847 179.3971 112 F 4.3230 7.8257 112.2174 59.1497 37.8245 175.9338 113 R 3.7287 6.8701 118.7633 56.4351 29.9033 177.4802 114 K 4.0611 7.4265 117.8492 58.5010 32.4919 176.6243 115 N 4.2435 7.7754 118.9342 53.9898 39.6550 174.9029 116 S 4.7263 8.2553 117.2371 56.1574 64.6540 174.2626 117 Y 4.3246 8.4294 128.0106 61.6188 37.8485 178.8076 118 T 4.0875 8.2204 110.3250 64.8152 68.5555 176.5203 119 G 3.6025 8.4241 108.0831 47.4918 0.0000 175.1984 120 A 4.1638 7.7384 122.0735 54.8691 18.3900 179.4168 121 A 4.0721 7.4932 118.0138 54.6487 18.2603 178.3178 122 C 4.2156 7.6689 115.2031 59.7219 28.8546 175.4081 123 G 3.8184 8.1627 111.0626 48.8458 0.0000 173.7678 124 G 4.1867 7.2471 101.0927 45.3578 0.0000 172.8143 125 V 5.0041 8.3267 120.0028 60.9470 34.7016 174.4711 126 I 4.7566 8.6308 128.5797 59.7891 39.4816 174.5519 127 M 5.0573 8.8779 123.0060 54.9870 34.0704 174.9147 128 G 3.7290 8.9457 109.7817 45.9212 0.0000 173.7794 129 F 4.4828 8.1613 115.0506 55.7049 40.4543 178.1468 130 G 3.7721 7.8939 110.9029 46.2648 0.0000 174.3331 131 P 4.5613 0.0000 0.0000 65.4400 32.0162 178.3574 132 L 3.9533 8.2254 119.6559 58.3526 41.9716 179.1292 133 G 3.5430 8.1223 105.0521 47.8469 0.0000 175.2115 134 Y 4.0304 8.3153 119.1943 61.0625 37.9167 178.3133 135 N 3.7961 8.1165 116.6769 56.5493 38.5895 176.8541 136 M 3.7208 8.0188 120.0440 58.5979 32.0252 178.9101 137 A 3.8914 8.2100 120.7854 55.0102 18.5610 179.2867 138 L 3.9191 7.8350 117.6548 58.4375 41.5227 179.2456 139 M 4.1154 8.2890 117.8901 58.9080 32.0828 178.2250 140 A 3.9817 7.8705 120.3981 55.3328 18.5609 178.9532 141 M 3.9120 8.4392 117.1994 58.9715 32.2567 178.1580 142 V 3.6126 7.9106 118.2188 66.4817 31.6703 177.6801 143 N 4.3584 7.8824 115.4220 56.4434 38.4236 177.6075 144 I 3.7386 7.8374 121.0689 64.3438 37.2571 178.4211 145 L 4.0230 8.2980 119.9862 57.8189 41.3161 179.4113 146 A 4.0247 8.1427 120.6290 55.0751 18.4139 179.3744 147 E 3.9032 8.0550 117.4713 59.5292 29.8406 178.3665 148 M 4.1407 8.4472 119.2111 58.8996 30.6304 179.0257 149 K 3.9872 8.2449 117.7976 59.4148 32.1718 179.3472 150 A 4.3576 7.8325 121.1849 54.9928 18.2155 179.5503 151 F 4.3401 8.1385 118.8197 61.6448 39.4768 177.4424 152 Q 3.7288 8.3165 116.9339 57.9163 27.5275 177.8148 153 E 4.2122 7.5503 117.2341 57.4719 30.0950 178.0840 154 A 3.9763 7.6823 120.3446 55.3920 18.7181 179.4412 155 Q 4.0046 8.0117 116.9640 58.6264 28.7620 178.5570 156 K 4.1181 7.3025 116.2791 58.7195 32.4935 177.3874 157 N 4.6630 7.3795 114.5785 54.1877 39.3197 174.3713 158 N 4.5405 8.7684 123.7311 53.5713 39.3685 173.5275 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 1 M 8.26 4.55 0.00 2.32 2.05 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.56 0.00 2 K 7.96 4.85 0.00 1.48 1.67 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.30 1.36 7.81 3 I 9.26 5.02 1.89 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 1.13 1.07 1.05 0.00 0.00 4 L 9.07 4.87 0.00 1.62 1.47 0.97 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.86 4.84 2.31 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 1.27 0.00 0.00 0.99 0.00 0.00 6 I 9.11 5.11 2.00 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 0.69 1.16 0.00 0.00 7 Q 9.65 4.80 0.00 1.96 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.55 0.00 8 G 8.41 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 P 0.00 4.36 0.00 1.85 1.77 0.00 3.63 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 1.40 0.44 0.00 10 N 8.87 4.35 0.00 2.88 2.90 0.00 0.00 7.21 6.08 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 11 L 8.02 3.50 0.00 1.76 1.75 1.13 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.03 4.43 0.00 2.83 3.03 0.00 0.00 6.32 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 13 M 8.77 4.42 0.00 1.99 2.22 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.69 0.00 14 L 7.47 4.28 0.00 1.70 1.77 0.97 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 15 G 8.98 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *16 H 8.27 4.49 0.00 2.94 2.97 0.00 7.23 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 R 7.19 3.73 0.00 1.86 1.80 0.00 3.27 0.00 0.00 3.23 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.47 0.00 *23 G 7.57 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 24 M 8.27 4.45 0.00 2.05 1.92 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.09 0.00 25 V 7.17 4.58 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 0.99 0.00 0.00 0.93 0.00 0.00 26 T 9.21 4.92 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 1.23 0.00 0.00 27 L 8.14 3.74 0.00 1.80 1.56 0.65 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 28 D 8.00 4.21 0.00 2.64 2.64 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 29 Q 7.79 4.07 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 30 I 7.25 3.60 1.67 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.56 0.40 0.00 0.00 31 H 7.73 3.84 0.00 2.70 1.56 0.00 5.64 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 32 E 8.30 4.02 0.00 2.17 2.19 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 2.50 2.39 0.00 33 I 7.78 3.68 2.14 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 1.55 0.79 0.99 0.00 0.00 34 M 7.85 4.53 0.00 2.25 2.51 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.54 0.00 35 Q 8.29 4.10 0.00 2.38 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.70 0.00 0.00 0.00 0.00 0.00 2.48 2.59 0.00 36 T 8.45 4.10 4.51 0.00 0.00 0.00 0.00 0.00 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 37 F 8.65 4.08 0.00 3.22 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 38 V 8.53 3.62 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 1.04 0.00 0.00 1.17 0.00 0.00 39 K 9.07 4.01 0.00 1.90 1.74 0.00 1.85 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.40 1.34 7.81 40 Q 8.08 4.52 0.00 2.06 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.25 2.46 0.00 41 G 8.01 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.88 4.17 0.00 2.76 2.81 0.00 0.00 7.13 8.21 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 43 L 7.22 4.27 0.00 1.75 1.59 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.46 4.45 0.00 2.63 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 7.59 5.12 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 0.92 0.00 0.00 0.96 0.00 0.00 46 E 8.81 4.19 0.00 1.91 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 2.32 2.35 0.00 47 L 8.42 5.09 0.00 1.16 1.00 1.10 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.55 4.36 0.00 2.01 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 2.22 2.28 0.00 49 F 8.43 5.48 0.00 2.90 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 50 F 9.58 5.04 0.00 3.06 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 51 Q 8.17 5.06 0.00 2.03 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.48 0.00 0.00 0.00 0.00 0.00 2.29 2.20 0.00 52 T 8.55 4.49 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 1.40 0.00 0.00 53 N 9.00 4.74 0.00 2.65 2.68 0.00 0.00 6.83 7.45 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 54 F 8.60 4.79 0.00 3.17 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 55 E 9.22 3.65 0.00 1.16 1.66 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 2.11 1.68 0.00 56 G 8.21 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.41 4.37 0.00 2.29 2.40 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 2.42 2.36 0.00 58 I 7.99 3.89 2.12 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.09 1.04 0.00 0.00 59 I 7.68 3.67 2.03 0.00 0.00 0.81 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 0.84 0.90 0.00 0.00 60 D 8.60 4.33 0.00 2.84 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 61 K 8.02 3.93 0.00 1.59 1.68 0.00 1.13 0.00 0.00 0.61 0.00 0.00 2.45 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.80 0.92 7.81 62 I 7.99 3.62 1.98 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.86 0.93 0.00 0.00 63 Q 7.93 4.10 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.02 0.00 0.00 0.00 0.00 0.00 2.37 2.56 0.00 64 E 8.14 4.10 0.00 2.12 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 2.24 0.00 65 S 7.66 4.04 0.00 3.91 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.37 3.52 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.98 0.00 0.00 67 G 8.55 4.07 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 0.00 68 S 8.84 3.48 0.00 3.94 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 69 D 8.05 4.22 0.00 2.56 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 70 Y 8.34 4.80 0.00 2.95 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 71 E 9.14 4.48 0.00 1.84 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 2.30 2.26 0.00 72 G 7.91 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 I 8.83 5.22 1.89 0.00 0.00 0.81 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 0.68 0.98 0.00 0.00 74 I 8.68 4.98 1.99 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.75 1.08 0.00 0.00 75 I 8.77 4.91 1.94 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 1.27 1.46 1.02 0.00 0.00 76 N 9.31 5.51 0.00 2.92 3.01 0.00 0.00 7.07 7.26 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 77 P 0.00 4.51 0.00 2.41 2.24 0.00 3.82 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 2.36 2.17 0.00 78 G 8.38 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 79 A 8.52 3.92 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 80 F 8.09 4.67 0.00 3.35 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 81 S 8.59 4.64 0.00 3.66 3.81 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.70 4.70 0.00 3.26 3.50 0.00 5.59 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 T 7.81 4.76 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 1.34 0.00 0.00 84 S 8.73 4.39 0.00 3.81 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 I 7.88 3.37 1.68 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 0.74 -0.07 0.73 0.00 0.00 86 A 7.92 3.95 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 87 I 8.15 3.67 1.92 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 1.48 0.64 0.98 0.00 0.00 88 A 7.71 4.03 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 D 8.55 4.33 0.00 2.80 2.74 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 90 A 8.06 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 91 I 8.04 3.71 2.05 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 1.55 0.93 0.92 0.00 0.00 92 M 7.76 4.21 0.00 2.03 2.35 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.58 0.00 93 L 7.68 4.48 0.00 1.69 1.67 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.66 3.81 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 95 G 7.38 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 96 K 7.34 4.55 0.00 1.95 1.85 0.00 1.88 0.00 0.00 1.72 0.00 0.00 3.29 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.18 1.41 7.81 97 P 0.00 4.32 0.00 2.12 2.06 0.00 3.79 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 98 V 8.53 4.85 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.95 0.00 0.00 99 I 8.96 4.66 1.88 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 1.11 0.59 0.88 0.00 0.00 100 E 8.68 5.20 0.00 2.08 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 101 V 8.20 4.71 1.63 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 -0.11 0.00 0.00 0.67 0.00 0.00 102 H 8.77 4.94 0.00 3.12 3.19 0.00 5.68 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 L 8.92 4.05 0.00 1.65 1.76 1.01 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 104 T 7.76 4.44 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 0.00 105 N 8.12 4.63 0.00 2.61 2.67 0.00 0.00 6.64 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 0.00 106 I 7.92 3.87 1.94 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.67 0.72 0.00 0.00 107 Q 7.64 3.93 0.00 2.41 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.13 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 108 A 8.28 4.60 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 0.00 109 R 7.21 4.61 0.00 1.60 1.53 0.00 3.15 0.00 0.00 3.14 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.51 0.00 110 E 8.15 3.95 0.00 1.16 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 2.25 2.18 0.00 111 E 8.58 3.74 0.00 1.99 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 2.39 2.39 0.00 112 F 7.83 4.32 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 0.00 113 R 6.87 3.73 0.00 1.61 1.76 0.00 2.98 0.00 0.00 3.16 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.13 0.00 114 K 7.43 4.06 0.00 1.76 1.73 0.00 1.80 0.00 0.00 1.42 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.22 7.81 115 N 7.78 4.24 0.00 2.55 2.61 0.00 0.00 6.65 7.63 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 0.00 116 S 8.26 4.73 0.00 3.87 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 0.00 117 Y 8.43 4.32 0.00 3.25 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 0.00 118 T 8.22 4.09 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 1.32 0.00 0.00 119 G 8.42 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 A 7.74 4.16 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 0.00 121 A 7.49 4.07 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 C 7.67 4.22 0.00 3.20 3.05 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 0.00 0.00 0.00 123 G 8.16 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 0.00 124 G 7.25 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 V 8.33 5.00 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 0.90 0.00 0.00 0.95 0.00 0.00 126 I 8.63 4.76 1.78 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.47 0.83 0.00 0.00 127 M 8.88 5.06 0.00 2.05 2.17 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.59 0.00 128 G 8.95 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 0.00 129 F 8.16 4.48 0.00 3.03 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 0.00 130 G 7.89 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 P 0.00 4.56 0.00 2.26 2.19 0.00 3.71 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.13 0.00 132 L 8.23 3.95 0.00 1.81 1.95 0.88 1.10 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 0.00 133 G 8.12 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 Y 8.32 4.03 0.00 3.21 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 0.00 135 N 8.12 3.80 0.00 2.57 1.82 0.00 0.00 7.00 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 0.00 136 M 8.02 3.72 0.00 1.75 2.03 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.31 0.00 137 A 8.21 3.89 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 0.00 138 L 7.84 3.92 0.00 1.82 1.94 1.07 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 139 M 8.29 4.12 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.70 0.00 140 A 7.87 3.98 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 0.00 141 M 8.44 3.91 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.65 0.00 142 V 7.91 3.61 2.40 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 1.01 0.00 0.00 1.04 0.00 0.00 143 N 7.88 4.36 0.00 2.96 2.86 0.00 0.00 7.14 7.00 0.00 0.00 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 I 7.84 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 1.53 0.63 0.92 0.00 0.00 145 L 8.30 4.02 0.00 1.92 1.74 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 146 A 8.14 4.02 1.44 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 0.00 0.00 147 E 8.06 3.90 0.00 2.30 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 148 M 8.45 4.14 0.00 2.12 2.36 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 2.79 2.68 0.00 149 K 8.24 3.99 0.00 2.09 1.89 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.64 7.81 150 A 7.83 4.36 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 0.00 151 F 8.14 4.34 0.00 3.18 3.32 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 0.00 152 Q 8.32 3.73 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.39 0.00 0.00 0.00 0.00 0.00 2.32 2.54 0.00 153 E 7.55 4.21 0.00 2.16 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 0.00 2.24 2.57 0.00 154 A 7.68 3.98 1.44 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 0.00 0.00 155 Q 8.01 4.00 0.00 1.71 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.85 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 156 K 7.30 4.12 0.00 1.82 1.84 0.00 1.55 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.63 1.36 7.81 157 N 7.38 4.66 0.00 2.99 2.88 0.00 0.00 6.60 7.88 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 0.00 158 N 8.77 4.54 0.00 2.55 2.60 0.00 0.00 7.05 5.12 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 * Residues marked with a * may have inaccurate shift predictions.