NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.9778 8.1400 114.7963 57.8000 64.6652 173.9454 2 L 4.0061 8.7107 124.3944 58.4408 41.7349 178.2641 3 L 4.0508 8.7973 119.7687 57.8547 41.9598 178.7535 4 E 4.0183 8.1404 118.1468 59.3915 29.3155 179.1082 5 F 4.6550 8.8147 121.1456 61.4286 39.4621 177.2933 6 G 3.5674 8.4268 105.5476 47.8195 0.0000 175.5938 7 K 4.0526 8.1222 122.1908 59.2041 32.2311 178.6011 8 M 4.3366 8.5386 118.9647 58.6668 32.0684 178.2666 9 I 3.6248 7.9244 120.1281 64.2360 37.1999 178.0678 10 L 4.4489 7.8374 122.3315 57.8420 41.7176 178.7335 11 E 3.9752 8.2643 117.4136 59.4532 29.4508 178.8353 12 E 4.1252 8.1150 118.5313 58.9086 29.9296 177.9610 13 T 4.4455 8.2793 107.5402 60.9065 70.3642 175.7219 14 G 3.8103 8.3210 109.9605 45.5696 0.0000 173.0761 *16 K 4.2985 7.4775 117.9274 55.8726 33.4750 175.1327 17 L 4.3163 8.1870 122.6494 54.3687 42.5672 177.6989 18 A 4.0140 8.9477 126.6841 54.8502 18.4702 177.1667 19 I 4.6563 7.6717 115.8600 59.3474 38.5183 173.6464 20 P 5.0076 0.0000 0.0000 61.8343 31.5774 176.4592 21 S 4.2830 7.9703 116.6945 60.7790 62.6682 174.5604 22 Y 4.7318 8.1661 114.7060 57.3195 39.2797 176.5385 23 S 4.5732 8.1328 115.4165 60.3872 63.9574 175.0785 24 S 4.8238 7.8575 116.5421 57.7090 63.3837 172.3685 25 Y 4.8199 8.2656 122.6191 58.4127 40.2977 175.3862 26 G 3.4363 8.1298 116.4437 46.9323 0.0000 173.2259 27 C 4.5323 9.3755 115.7400 58.0095 38.9839 174.4956 28 Y 4.5142 8.7938 115.3909 57.4383 39.5636 174.3520 29 C 4.9702 8.5390 118.9920 58.1318 40.3497 173.8352 30 G 4.4320 10.7379 113.6627 46.8015 0.0000 173.2774 31 W 4.9308 8.3702 123.3838 58.1189 34.6586 173.9381 32 G 4.3050 7.1418 106.3579 42.5893 0.0000 173.4316 33 G 4.0528 7.5329 115.9283 45.3754 0.0000 173.6297 34 K 4.7594 7.8137 116.8369 54.7450 35.8622 175.6897 35 G 4.4863 9.7208 106.5307 45.1019 0.0000 173.3072 36 T 4.2383 8.0298 115.8850 61.6387 69.1730 173.5710 37 P 4.6132 0.0000 0.0000 62.9652 31.8960 176.8526 38 K 3.7578 8.7329 121.7023 59.1608 32.2766 176.6832 39 D 4.4367 7.4556 116.4505 51.2656 42.8870 175.7200 40 A 4.0070 8.5398 120.4661 55.9584 18.0376 179.7019 41 T 4.0204 8.0948 113.4089 67.0799 68.5093 176.1375 42 D 4.6104 8.8560 119.9340 57.5236 41.1320 178.5129 43 R 3.9467 8.2598 118.7156 59.1204 29.9011 178.2750 44 C 4.2061 8.3350 116.5708 60.3899 39.1535 175.5993 45 C 4.3254 8.2861 117.6667 59.7712 40.9780 175.7823 46 F 3.6059 8.5276 122.6470 61.3662 38.8736 177.4651 47 V 3.4783 8.1518 117.9791 66.1082 31.2145 177.4357 48 H 3.9012 8.3465 118.2721 59.1054 29.5631 176.9576 49 D 4.1216 8.1903 121.0704 57.5553 40.7699 178.1619 50 C 4.0523 7.8180 116.9273 59.8972 39.8842 175.3349 51 C 4.1357 7.9847 119.5312 60.0130 44.4735 175.0216 52 Y 4.3796 8.0546 118.5640 61.0152 37.1912 178.7111 53 G 3.6130 8.0808 105.8222 47.3788 0.0000 174.8827 54 N 4.5858 7.7925 116.6741 54.2301 39.8916 174.9959 55 L 4.8266 7.5114 119.4302 52.5534 42.1933 174.7977 56 P 4.1789 0.0000 0.0000 65.6809 32.3577 178.5390 *59 D 5.0113 7.8723 115.6247 54.3453 42.4633 175.4016 *61 C 5.2935 7.6465 116.1386 57.3388 42.7958 172.9888 *67 N 4.7870 8.3076 116.2567 52.8051 38.6124 173.6997 68 P 4.1065 0.0000 0.0000 64.8538 32.1579 179.9979 69 K 4.1189 8.0715 119.1997 58.4887 32.2328 178.4803 70 S 4.4337 7.7879 111.0249 58.6101 64.8963 173.9053 71 D 4.4114 8.0969 121.4839 53.8645 41.2613 175.4298 72 R 4.4613 8.4322 126.0838 55.1815 31.3145 175.1858 73 Y 4.9341 7.7450 119.5537 55.0037 41.0217 174.7010 74 K 4.9907 8.5410 119.0337 55.0732 35.1972 174.9412 75 Y 5.5096 8.2486 120.3674 55.8144 41.4503 173.2611 76 K 4.6815 9.2404 118.5699 55.3339 36.9575 174.8078 77 R 5.1064 8.5390 118.8924 54.5131 32.3121 176.4343 78 V 4.0495 8.9604 124.7290 61.5023 31.8033 173.5406 79 N 4.4742 9.6325 120.5531 54.2349 35.4702 173.4538 80 G 4.3248 8.3750 111.8181 45.5266 0.0000 172.2697 81 A 4.1049 7.8163 122.7289 51.8883 18.9436 176.0995 82 I 4.7047 8.2076 123.0687 60.5372 38.5023 175.4851 83 V 4.3495 8.9349 127.6903 60.9942 33.7969 173.9763 84 C 4.8720 8.8840 126.3374 57.1845 40.6034 173.4342 85 E 4.6984 8.9664 123.5850 54.5244 31.3843 176.0454 86 K 4.4241 7.9059 122.8011 55.9113 33.4421 175.2001 *88 G 4.2367 8.2489 115.7822 45.3862 0.0000 173.1125 89 T 4.2467 8.8320 115.7700 60.9388 71.0464 175.8452 90 S 4.0929 8.5228 117.2540 62.0253 62.7944 177.6470 91 C 4.2168 8.1399 118.4286 60.1765 38.5901 175.8564 92 E 4.0118 8.1537 119.9774 59.5216 29.0050 179.1798 93 N 4.2811 8.3145 116.4453 56.5183 38.6303 177.7656 94 R 3.9823 7.9662 119.3366 59.0866 30.1566 179.0857 95 I 3.6080 8.0787 120.0921 64.5044 37.1464 177.5068 96 C 2.9009 8.0771 119.5113 59.4439 41.7954 175.5713 97 E 3.8310 7.9349 119.9852 59.3545 28.9948 178.7666 98 C 4.1776 8.0080 116.6803 60.0474 40.7774 175.9155 99 D 3.7703 7.9327 120.4207 56.9139 40.4029 178.4699 100 K 3.6644 8.2707 120.2789 59.5893 32.0749 178.5025 101 A 3.8752 7.8428 120.5036 55.1063 18.2768 179.4923 102 A 3.4937 7.7615 118.9070 54.9795 18.3974 179.7406 103 A 3.8968 8.1336 119.4833 55.2972 18.4080 179.9137 104 I 3.6220 7.7133 118.3135 64.6310 36.9426 177.8306 105 C 4.1940 8.0577 118.5599 59.6564 38.5759 175.3315 106 F 4.5881 8.2257 119.7972 60.6444 38.0026 177.5785 107 R 3.9553 8.1454 118.3832 59.5483 29.6882 178.2937 108 Q 4.1638 8.2920 117.9567 57.9387 29.2765 176.1744 109 N 5.0893 7.7752 115.7616 52.9441 39.8239 176.1949 110 L 4.1765 7.8945 121.6767 57.8021 41.7842 179.2791 111 N 4.5116 8.3193 114.9570 55.0108 37.2655 175.4373 112 T 4.5945 7.7391 106.9189 60.9966 69.1996 173.5102 113 Y 4.1796 7.9613 124.2419 58.2759 39.5143 175.1317 114 S 5.0042 8.6747 122.0947 56.4525 66.0595 175.4707 115 K 4.1650 8.8080 125.1399 58.7944 32.0557 179.0651 116 K 3.9216 7.7420 116.8979 59.0097 32.6617 177.0076 117 Y 4.5110 7.3552 116.5954 57.8879 38.1779 175.2678 118 M 4.4311 7.6632 120.9629 56.2543 32.5222 176.0487 119 L 3.6815 8.3985 121.7766 55.7013 39.9446 174.5391 120 Y 4.1715 8.1297 119.0041 56.8016 39.7297 173.5193 121 P 4.4321 0.0000 0.0000 62.2109 32.5164 176.7081 122 D 4.2706 8.8539 121.0024 57.2912 41.2458 177.8843 *124 F 4.7523 7.8440 111.4277 56.3883 39.5480 175.1654 125 L 3.8744 6.8988 119.8125 54.6661 41.2589 176.0765 126 C 4.9067 8.1743 117.4734 54.9058 38.5876 173.2234 127 K 4.6841 8.3199 123.2122 55.3836 35.4250 176.9025 128 G 4.2416 8.9253 108.3762 46.1518 0.0000 172.2000 129 E 4.6548 8.3786 120.9830 54.6425 30.9421 175.4411 130 L 4.7276 8.4506 124.2509 52.9186 44.2754 176.0752 131 K 4.1649 8.5205 125.6239 56.4780 32.9613 177.6840 *133 C 4.6469 8.6308 118.9052 57.4506 41.5384 173.7747 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 S 8.14 4.98 0.00 4.15 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 2 L 8.71 4.01 0.00 1.92 1.85 1.21 0.59 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 3 L 8.80 4.05 0.00 1.76 1.74 0.95 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.14 4.02 0.00 2.10 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.24 0.00 5 F 8.81 4.65 0.00 3.39 3.37 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 6 G 8.43 3.57 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 0.00 7 K 8.12 4.05 0.00 1.91 2.07 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.50 7.81 8 M 8.54 4.34 0.00 2.40 2.23 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.59 0.00 9 I 7.92 3.62 1.83 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.19 0.66 0.00 0.00 10 L 7.84 4.45 0.00 1.77 1.83 0.91 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.26 3.98 0.00 2.21 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 0.00 2.41 2.67 0.00 12 E 8.11 4.13 0.00 2.15 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 0.00 2.45 2.38 0.00 13 T 8.28 4.45 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 1.25 0.00 0.00 14 G 8.32 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 0.00 0.00 0.00 *16 K 7.48 4.30 0.00 1.89 1.60 0.00 1.40 0.00 0.00 0.87 0.00 0.00 2.48 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.17 1.25 7.81 17 L 8.19 4.32 0.00 1.69 1.74 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.95 4.01 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 19 I 7.67 4.66 1.90 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 1.53 0.72 0.94 0.00 0.00 20 P 0.00 5.01 0.00 2.18 2.13 0.00 3.35 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 1.89 1.92 0.00 21 S 7.97 4.28 0.00 3.71 3.18 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 22 Y 8.17 4.73 0.00 2.81 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 23 S 8.13 4.57 0.00 4.10 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 24 S 7.86 4.82 0.00 4.01 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 25 Y 8.27 4.82 0.00 3.09 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 26 G 8.13 3.44 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 0.00 27 C 9.38 4.53 0.00 2.97 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 28 Y 8.79 4.51 0.00 3.35 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 C 8.54 4.97 0.00 3.54 3.57 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 30 G 10.74 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 0.00 0.00 0.00 0.00 31 W 8.37 4.93 0.00 3.27 3.33 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.14 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 0.00 0.00 0.00 33 G 7.53 4.05 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 0.00 0.00 0.00 34 K 7.81 4.76 0.00 1.98 1.79 0.00 1.58 0.00 0.00 1.80 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.29 1.50 7.81 35 G 9.72 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 T 8.03 4.24 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 1.15 0.00 0.00 37 P 0.00 4.61 0.00 1.94 2.04 0.00 3.48 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.86 0.00 38 K 8.73 3.76 0.00 0.79 0.74 0.00 1.66 0.00 0.00 1.36 0.00 0.00 2.77 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.86 0.21 7.81 39 D 7.46 4.44 0.00 2.86 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 40 A 8.54 4.01 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 41 T 8.09 4.02 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 1.02 0.00 0.00 42 D 8.86 4.61 0.00 3.00 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 43 R 8.26 3.95 0.00 2.10 1.95 0.00 3.10 0.00 0.00 3.07 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.83 0.00 44 C 8.34 4.21 0.00 3.33 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 45 C 8.29 4.33 0.00 3.39 3.51 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 0.00 46 F 8.53 3.61 0.00 2.60 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 47 V 8.15 3.48 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 1.04 0.00 0.00 48 H 8.35 3.90 0.00 3.07 3.27 0.00 5.65 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 49 D 8.19 4.12 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 50 C 7.82 4.05 0.00 2.91 2.96 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 51 C 7.98 4.14 0.00 2.94 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 52 Y 8.05 4.38 0.00 3.03 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 53 G 8.08 3.61 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 0.00 0.00 0.00 54 N 7.79 4.59 0.00 2.87 2.85 0.00 0.00 6.77 7.16 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 55 L 7.51 4.83 0.00 1.59 1.51 0.86 0.92 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 56 P 0.00 4.18 0.00 2.15 2.08 0.00 3.59 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.09 0.00 *59 D 7.87 5.01 0.00 2.74 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 *61 C 7.65 5.29 0.00 3.00 2.99 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 *67 N 8.31 4.79 0.00 2.73 2.77 0.00 0.00 7.37 8.03 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 68 P 0.00 4.11 0.00 0.92 1.25 0.00 3.46 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.89 0.00 69 K 8.07 4.12 0.00 1.82 1.95 0.00 1.73 0.00 0.00 2.01 0.00 0.00 3.05 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.53 1.39 7.81 70 S 7.79 4.43 0.00 3.94 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 71 D 8.10 4.41 0.00 2.73 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 72 R 8.43 4.46 0.00 1.79 1.86 0.00 3.17 0.00 0.00 3.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 73 Y 7.74 4.93 0.00 3.07 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 74 K 8.54 4.99 0.00 1.75 1.89 0.00 1.65 0.00 0.00 1.86 0.00 0.00 2.90 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.36 7.81 75 Y 8.25 5.51 0.00 3.11 2.98 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 76 K 9.24 4.68 0.00 1.80 1.90 0.00 1.28 0.00 0.00 1.81 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.43 7.81 77 R 8.54 5.11 0.00 1.72 1.92 0.00 3.49 0.00 0.00 3.42 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 78 V 8.96 4.05 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 1.01 0.00 0.00 0.96 0.00 0.00 79 N 9.63 4.47 0.00 2.81 2.82 0.00 0.00 7.21 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 80 G 8.38 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 0.00 0.00 0.00 0.00 81 A 7.82 4.10 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 82 I 8.21 4.70 1.84 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 1.29 0.64 0.78 0.00 0.00 83 V 8.93 4.35 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 1.01 0.00 0.00 0.96 0.00 0.00 84 C 8.88 4.87 0.00 2.97 2.98 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 E 8.97 4.70 0.00 2.03 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 2.32 2.47 0.00 86 K 7.91 4.42 0.00 1.80 1.71 0.00 1.79 0.00 0.00 1.79 0.00 0.00 2.89 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.40 7.81 *88 G 8.25 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 0.00 0.00 0.00 0.00 89 T 8.83 4.25 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 1.28 0.00 0.00 90 S 8.52 4.09 0.00 3.87 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 91 C 8.14 4.22 0.00 2.95 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 92 E 8.15 4.01 0.00 2.30 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 0.00 2.54 2.54 0.00 93 N 8.31 4.28 0.00 2.86 2.83 0.00 0.00 7.07 7.18 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 94 R 7.97 3.98 0.00 1.94 1.92 0.00 3.10 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 95 I 8.08 3.61 2.05 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.73 0.98 0.00 0.00 96 C 8.08 2.90 0.00 2.21 2.90 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 97 E 7.93 3.83 0.00 2.06 1.89 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 2.43 2.42 0.00 98 C 8.01 4.18 0.00 3.17 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 D 7.93 3.77 0.00 2.68 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 0.00 100 K 8.27 3.66 0.00 1.59 1.88 0.00 1.55 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.37 7.81 101 A 7.84 3.88 1.26 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 0.00 0.00 0.00 102 A 7.76 3.49 1.06 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 0.00 0.00 103 A 8.13 3.90 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 0.00 104 I 7.71 3.62 1.94 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 1.38 0.58 0.87 0.00 0.00 105 C 8.06 4.19 0.00 2.89 2.95 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 0.00 106 F 8.23 4.59 0.00 3.00 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 0.00 107 R 8.15 3.96 0.00 1.97 2.12 0.00 3.17 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 108 Q 8.29 4.16 0.00 2.20 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.91 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 109 N 7.78 5.09 0.00 3.03 2.86 0.00 0.00 6.82 6.42 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 0.00 110 L 7.89 4.18 0.00 1.77 1.76 0.98 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.32 4.51 0.00 2.87 3.00 0.00 0.00 5.80 7.71 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 0.00 112 T 7.74 4.59 4.33 0.00 0.00 0.00 0.00 0.00 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 0.00 113 Y 7.96 4.18 0.00 3.08 2.98 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 0.00 114 S 8.67 5.00 0.00 3.83 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 K 8.81 4.17 0.00 1.83 1.90 0.00 1.71 0.00 0.00 1.92 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.72 1.60 7.81 116 K 7.74 3.92 0.00 1.61 1.71 0.00 1.19 0.00 0.00 1.41 0.00 0.00 2.45 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.63 0.31 7.81 117 Y 7.36 4.51 0.00 1.83 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 0.00 0.00 0.00 118 M 7.66 4.43 0.00 2.07 2.14 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 2.76 2.68 0.00 119 L 8.40 3.68 0.00 1.83 1.75 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 120 Y 8.13 4.17 0.00 3.03 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 0.00 121 P 0.00 4.43 0.00 2.43 2.19 0.00 2.58 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.82 0.00 122 D 8.85 4.27 0.00 2.78 2.81 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 *124 F 7.84 4.75 0.00 3.24 3.14 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 0.00 125 L 6.90 3.87 0.00 1.12 1.51 0.34 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 126 C 8.17 4.91 0.00 3.05 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 0.00 127 K 8.32 4.68 0.00 1.78 1.67 0.00 1.65 0.00 0.00 1.84 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.38 7.81 128 G 8.93 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 0.00 0.00 0.00 0.00 129 E 8.38 4.65 0.00 2.02 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 0.00 2.32 2.35 0.00 130 L 8.45 4.73 0.00 1.60 1.55 0.62 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 131 K 8.52 4.16 0.00 1.83 1.76 0.00 1.85 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.48 1.50 7.81 *133 C 8.63 4.65 0.00 2.95 2.98 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 * Residues marked with a * may have inaccurate shift predictions.