NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.0168 8.0544 120.6520 62.5378 32.4237 174.8132 3 Q 4.1277 8.0494 129.5328 55.8868 30.0658 173.3784 4 L 5.0344 8.3973 122.7891 53.3975 47.2037 174.4234 5 Q 4.6695 8.8186 123.9152 54.4320 32.2402 173.8754 6 E 5.0119 8.9259 126.7717 56.5606 30.8610 176.2530 7 S 4.5964 9.7162 118.0395 57.2505 66.5582 173.9697 8 G 4.1492 9.2169 113.9399 45.5935 0.0000 174.8014 9 G 4.3885 7.0407 116.7169 43.5463 0.0000 178.1013 10 G 3.7701 9.8503 118.5631 44.6951 0.0000 171.9695 11 L 5.4340 7.9726 120.6550 53.5949 44.7361 172.6198 12 V 4.4337 8.6478 118.1926 60.6347 35.3550 172.5668 13 Q 4.3646 8.7053 123.9172 55.8005 29.9573 175.0289 14 A 4.0115 8.5400 129.5171 54.1210 18.8479 177.6160 15 G 3.9991 8.6200 110.1894 44.9902 0.0000 173.5638 16 D 4.7262 7.7828 119.7525 53.7326 42.6446 176.3598 17 S 4.9520 8.3742 116.9973 58.2635 65.2409 173.0751 18 L 4.5226 8.3997 123.2841 54.0591 45.5843 174.0791 19 R 4.7012 8.4882 126.8906 55.1370 31.5662 175.1621 20 L 4.8276 8.5864 125.4712 53.2860 45.5015 175.4360 21 S 5.2307 8.5690 114.2973 57.4336 67.9519 172.5132 22 C 5.3896 9.5874 124.3958 54.8296 41.6626 172.4513 23 V 4.7855 8.6437 126.1817 61.0467 33.4271 173.9191 24 A 5.1226 8.2055 129.6977 50.4981 19.3263 176.1715 25 S 4.5282 8.4735 117.9526 58.2291 65.2726 174.8808 26 G 4.0165 9.1536 110.9536 46.3438 0.0000 173.8437 27 R 4.5337 8.1957 113.6907 55.8615 29.9009 176.1928 28 A 4.5105 7.7744 121.9039 53.5447 20.0050 179.8293 29 F 3.9254 8.4563 119.0130 61.2970 39.2227 177.4489 30 S 4.4566 8.3757 112.6529 60.2624 62.7026 174.6046 31 S 4.5512 8.4927 114.6813 58.4323 63.8332 173.4525 32 Y 4.3341 8.0929 120.5540 56.7273 38.7772 175.8236 33 G 3.7384 8.9708 112.5465 46.5719 0.0000 172.3849 34 M 5.4494 8.9152 123.4030 53.5617 35.6775 175.1025 35 G 4.5137 8.6604 107.1507 44.6274 0.0000 171.3861 36 W 5.2699 9.2574 121.8227 54.6925 31.9854 175.0843 37 F 5.5051 9.7290 123.0062 55.7721 42.8896 173.9952 38 R 5.1031 9.2515 115.6545 55.3842 33.5253 174.4116 39 Q 4.8087 8.3844 120.9786 55.4650 32.0766 173.6945 40 A 4.5628 8.6272 129.9186 50.2461 19.9362 174.1910 41 P 4.3519 0.0000 0.0000 65.3847 31.4404 176.2513 42 G 4.0167 9.2088 112.1277 44.9143 0.0000 172.9526 43 K 4.4874 7.4500 117.7938 54.3471 34.1100 175.6016 44 E 4.2459 8.3311 119.6056 56.4238 30.4722 176.7437 45 R 4.6156 8.4564 121.8030 56.0052 30.7225 175.2680 46 A 5.1019 9.3219 128.5951 49.7742 22.1632 175.4650 47 F 4.1156 9.1165 122.3410 58.8528 40.2506 174.0024 48 V 3.9634 6.7708 121.4761 63.5610 33.6174 174.8327 49 A 4.9162 6.6984 118.7248 51.7747 22.6010 174.1769 50 A 5.1702 8.0874 119.4825 50.9508 23.5023 175.0889 51 I 5.1011 8.7083 119.0793 59.5236 42.0993 175.2266 52 S 4.5138 8.7714 124.3675 57.6096 64.6388 174.2535 53 R 3.8973 8.1928 119.2673 59.9520 28.6102 178.0037 54 S 4.0988 8.1499 114.0243 59.6116 63.0620 175.5667 55 G 3.9636 7.9211 108.1590 45.6636 0.0000 174.2915 56 G 3.7431 7.7891 107.4654 45.7598 0.0000 173.5681 57 L 4.6959 7.6900 122.1235 53.7476 43.8102 175.7095 58 T 4.9854 8.4125 116.5334 60.5972 71.8379 173.3870 59 Q 4.7987 8.2287 118.4855 55.1301 33.6174 173.8056 60 Y 5.3009 8.5189 118.1801 56.1162 40.8947 174.8812 61 A 4.1836 8.6526 125.2724 52.1798 19.2034 177.8145 62 E 3.7963 9.3038 124.2468 59.5392 30.0352 178.4679 63 S 4.2337 8.1298 111.4512 61.5219 63.4998 175.8053 64 L 4.1021 7.0574 121.8197 54.5589 40.5824 177.4708 65 K 4.5280 7.4811 118.4953 53.7038 35.8180 177.5203 66 G 4.2675 8.5736 109.3485 45.9050 0.0000 175.1477 67 R 4.2737 7.8688 117.7491 57.9334 31.5095 176.7697 68 F 5.3651 8.4521 115.6399 55.6929 41.5693 175.4854 69 A 4.9308 9.0621 123.4828 50.3545 22.3826 174.6811 70 I 5.0801 8.5386 122.4349 59.6034 40.3911 174.6278 71 S 4.9752 8.7046 121.6801 57.7136 66.7717 172.9242 72 R 5.1908 8.5855 115.6487 54.9763 32.8570 174.8163 73 D 4.8086 9.3942 119.6872 52.0862 41.4671 175.1372 74 N 4.4943 9.0110 121.1840 55.8490 39.3572 177.1584 75 A 3.9599 7.8117 119.7126 55.1685 18.3537 178.3986 76 K 4.2262 8.2785 111.8384 55.4426 32.8446 176.7145 77 N 3.1400 7.8912 116.6946 53.9509 36.6506 173.7969 78 T 4.6997 6.1806 112.5598 61.6503 73.8391 174.7470 79 V 4.8557 8.4192 124.5512 61.4024 34.4359 174.0348 80 Y 5.4408 9.3619 124.5826 56.2261 41.9947 174.5759 81 L 4.6748 8.3164 122.4027 53.4008 45.1804 175.0227 82 Q 4.3812 9.2512 129.4861 55.4005 30.4417 174.4056 83 M 3.6612 8.4398 128.2155 53.1236 32.6107 174.9398 84 G 4.1620 8.7294 111.6561 47.2124 0.0000 169.7469 85 S 3.4945 8.8322 125.0060 59.2201 60.6749 172.7877 86 L 4.6211 8.3224 127.4932 54.0359 42.1966 173.8362 87 K 4.9049 8.7776 117.0761 53.6928 35.9174 175.3533 88 P 3.8969 0.0000 0.0000 65.8715 31.3539 178.2546 89 E 4.2115 8.1271 115.2620 58.2208 29.6518 176.8603 90 D 4.8731 8.7664 119.1188 54.3921 41.0827 176.2175 91 T 4.2917 7.7984 111.1391 61.7556 69.3738 173.9681 92 A 4.2564 8.2463 126.7355 51.9044 24.0431 174.3814 93 V 4.4130 8.0451 119.3519 62.0247 33.0585 174.3554 94 Y 4.9184 8.7736 126.5393 57.2135 39.5576 174.4926 95 Y 5.3792 9.5517 121.8801 56.4799 41.6543 173.8250 96 C 4.6408 9.4778 121.8976 54.6565 45.8971 172.4942 97 A 4.4978 8.3131 125.2985 50.0406 22.9069 174.9872 98 G 4.6148 8.7377 105.7810 44.4498 0.0000 171.9308 99 D 4.7019 9.4181 122.4723 51.8493 42.8383 175.8940 100 L 2.4400 8.8292 130.0776 57.9653 41.9958 178.2679 101 Y 3.9553 7.6828 112.6860 57.8530 38.0219 174.8939 102 G 3.7408 7.2928 108.2307 47.0484 0.0000 175.5340 103 L 4.2730 7.8987 117.5885 54.6493 44.7628 178.0422 104 G 4.1498 9.4101 103.8747 45.8958 0.0000 172.2381 105 S 4.5017 9.3981 114.5527 57.3372 65.5582 173.9515 106 H 2.6538 8.5151 117.5893 55.5298 29.1251 174.9947 107 M 4.4401 8.5066 122.5976 53.5626 32.1224 176.4142 108 E 4.1531 9.1064 123.5356 59.4906 29.7318 178.9223 109 N 4.4701 8.2878 114.9755 55.2289 38.6642 174.9345 110 E 4.4971 8.3060 117.2096 56.0808 29.5744 175.0335 111 Y 4.7551 8.4370 118.0183 56.2262 39.9186 175.6369 112 D 4.8007 8.6783 124.1163 55.1227 40.6636 176.7511 113 S 5.1279 8.1737 113.9629 56.6105 66.8335 173.1641 114 W 5.3634 8.6342 120.3969 55.3695 33.2669 174.9232 115 G 4.3428 8.6274 110.2479 44.1642 0.0000 173.8103 116 Q 4.2205 8.8557 120.2410 56.9823 29.3729 176.7366 117 G 3.4834 8.7767 103.8359 45.8453 0.0000 172.1262 118 T 4.5221 8.5941 116.4443 60.3377 71.1546 173.0765 119 Q 4.7426 8.4458 122.0642 53.9604 30.6806 174.5590 120 V 4.4323 8.4650 124.9087 62.5381 33.4672 175.0056 121 T 4.7034 9.1005 123.9878 62.0561 71.9748 173.0220 122 V 4.6618 8.4309 126.9940 61.7703 33.0026 176.8488 123 S 4.4029 8.5944 124.2123 58.9001 64.4410 176.3430 124 S 3.4188 9.5500 119.2964 60.6139 60.2130 167.7972 *125 H 4.5059 8.9823 116.3776 56.5584 27.5648 173.1975 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 2 V 8.05 4.02 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 0.47 0.00 0.00 0.79 0.00 0.00 3 Q 8.05 4.13 0.00 2.20 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.61 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 4 L 8.40 5.03 0.00 1.71 1.42 0.85 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 5 Q 8.82 4.67 0.00 2.15 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.00 0.00 0.00 0.00 0.00 0.00 2.25 2.39 0.00 6 E 8.93 5.01 0.00 2.10 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 2.76 2.45 0.00 7 S 9.72 4.60 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 8 G 9.22 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 G 7.04 4.39 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 0.00 10 G 9.85 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 11 L 7.97 5.43 0.00 1.40 1.40 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 12 V 8.65 4.43 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 0.48 0.00 0.00 0.94 0.00 0.00 13 Q 8.71 4.36 0.00 2.15 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.95 0.00 0.00 0.00 0.00 0.00 2.42 2.36 0.00 14 A 8.54 4.01 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 15 G 8.62 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 16 D 7.78 4.73 0.00 2.75 2.53 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 17 S 8.37 4.95 0.00 3.69 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.40 4.52 0.00 1.58 1.24 0.82 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.49 4.70 0.00 1.85 1.71 0.00 3.40 0.00 0.00 3.08 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 20 L 8.59 4.83 0.00 0.88 1.16 0.25 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.57 5.23 0.00 3.99 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 22 C 9.59 5.39 0.00 2.77 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 23 V 8.64 4.79 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 0.83 0.00 0.00 0.88 0.00 0.00 24 A 8.21 5.12 1.28 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 0.00 0.00 0.00 25 S 8.47 4.53 0.00 3.73 3.74 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 26 G 9.15 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 27 R 8.20 4.53 0.00 1.82 1.78 0.00 3.26 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.16 0.00 28 A 7.77 4.51 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 29 F 8.46 3.93 0.00 3.03 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 30 S 8.38 4.46 0.00 4.09 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 31 S 8.49 4.55 0.00 3.92 4.03 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 32 Y 8.09 4.33 0.00 2.70 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 33 G 8.97 3.74 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 0.00 0.00 0.00 34 M 8.92 5.45 0.00 1.88 1.95 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 2.54 0.00 35 G 8.66 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 0.00 0.00 0.00 0.00 36 W 9.26 5.27 0.00 3.15 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 37 F 9.73 5.51 0.00 3.25 3.17 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 0.00 38 R 9.25 5.10 0.00 0.82 1.51 0.00 2.50 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.44 0.00 39 Q 8.38 4.81 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.92 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 40 A 8.63 4.56 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.35 0.00 2.06 2.08 0.00 3.67 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 42 G 9.21 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 43 K 7.45 4.49 0.00 1.77 1.77 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.54 7.81 44 E 8.33 4.25 0.00 1.88 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 2.31 2.32 0.00 45 R 8.46 4.62 0.00 1.79 1.78 0.00 3.23 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.75 0.00 46 A 9.32 5.10 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 47 F 9.12 4.12 0.00 3.27 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 48 V 6.77 3.96 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.92 0.00 0.00 49 A 6.70 4.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 A 8.09 5.17 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 51 I 8.71 5.10 1.94 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.39 1.05 0.00 0.00 52 S 8.77 4.51 0.00 3.95 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 53 R 8.19 3.90 0.00 1.82 1.94 0.00 3.26 0.00 0.00 3.31 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 54 S 8.15 4.10 0.00 4.02 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 55 G 7.92 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 G 7.79 3.74 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 0.00 0.00 0.00 57 L 7.69 4.70 0.00 1.80 1.55 0.94 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 58 T 8.41 4.99 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 59 Q 8.23 4.80 0.00 2.18 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 60 Y 8.52 5.30 0.00 2.86 2.79 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 0.00 0.00 0.00 61 A 8.65 4.18 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 62 E 9.30 3.80 0.00 1.98 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 2.31 2.34 0.00 63 S 8.13 4.23 0.00 3.99 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 64 L 7.06 4.10 0.00 1.32 0.92 0.83 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 65 K 7.48 4.53 0.00 1.72 1.52 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.24 0.96 7.81 66 G 8.57 4.27 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 0.00 67 R 7.87 4.27 0.00 2.36 2.39 0.00 3.16 0.00 0.00 3.43 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.89 0.00 68 F 8.45 5.37 0.00 2.83 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 69 A 9.06 4.93 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 70 I 8.54 5.08 1.95 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.43 0.99 0.00 0.00 71 S 8.70 4.98 0.00 4.01 4.03 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 72 R 8.59 5.19 0.00 2.19 2.07 0.00 3.02 0.00 0.00 3.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.76 0.00 73 D 9.39 4.81 0.00 3.00 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 74 N 9.01 4.49 0.00 2.95 3.05 0.00 0.00 6.86 7.38 0.00 0.00 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 A 7.81 3.96 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 76 K 8.28 4.23 0.00 1.72 1.78 0.00 1.99 0.00 0.00 1.78 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.43 7.81 77 N 7.89 3.14 0.00 2.59 2.48 0.00 0.00 6.75 7.86 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 78 T 6.18 4.70 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 0.44 0.00 0.00 79 V 8.42 4.86 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 1.16 0.00 0.00 80 Y 9.36 5.44 0.00 2.89 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 81 L 8.32 4.67 0.00 0.27 0.36 0.79 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 82 Q 9.25 4.38 0.00 2.07 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.56 0.00 0.00 0.00 0.00 0.00 2.21 2.24 0.00 83 M 8.44 3.66 0.00 1.19 1.63 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.92 0.00 84 G 8.73 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 85 S 8.83 3.49 0.00 4.01 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 86 L 8.32 4.62 0.00 1.58 1.54 0.92 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 87 K 8.78 4.90 0.00 1.65 1.63 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.28 1.28 7.81 88 P 0.00 3.90 0.00 2.19 2.19 0.00 3.58 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.16 0.00 89 E 8.13 4.21 0.00 1.98 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 2.34 2.41 0.00 90 D 8.77 4.87 0.00 2.81 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 91 T 7.80 4.29 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 1.36 0.00 0.00 92 A 8.25 4.26 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 V 8.05 4.41 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 0.63 0.00 0.00 0.94 0.00 0.00 94 Y 8.77 4.92 0.00 3.07 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 95 Y 9.55 5.38 0.00 3.23 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 C 9.48 4.64 0.00 1.46 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 97 A 8.31 4.50 -0.57 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 98 G 8.74 4.61 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 99 D 9.42 4.70 0.00 2.33 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 0.00 100 L 8.83 2.44 0.00 1.21 1.25 0.50 0.19 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 0.00 101 Y 7.68 3.96 0.00 2.88 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 G 7.29 3.74 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 0.00 0.00 0.00 103 L 7.90 4.27 0.00 1.66 1.59 0.86 0.97 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 0.00 104 G 9.41 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 S 9.40 4.50 0.00 3.62 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 H 8.52 2.65 0.00 2.73 2.50 0.00 5.57 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 M 8.51 4.44 0.00 2.00 2.32 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 2.43 2.20 0.00 108 E 9.11 4.15 0.00 2.03 1.75 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 2.37 2.28 0.00 109 N 8.29 4.47 0.00 2.75 2.95 0.00 0.00 6.86 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 0.00 110 E 8.31 4.50 0.00 1.91 1.81 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 2.24 2.34 0.00 111 Y 8.44 4.76 0.00 3.02 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 0.00 112 D 8.68 4.80 0.00 2.81 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 0.00 113 S 8.17 5.13 0.00 3.81 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 0.00 114 W 8.63 5.36 0.00 3.08 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 0.00 115 G 8.63 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 0.00 116 Q 8.86 4.22 0.00 2.07 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.44 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 117 G 8.78 3.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 T 8.59 4.52 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 1.40 0.00 0.00 119 Q 8.45 4.74 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.84 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 120 V 8.47 4.43 2.39 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 0.93 0.00 0.00 0.78 0.00 0.00 121 T 9.10 4.70 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 1.24 0.00 0.00 122 V 8.43 4.66 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 0.78 0.00 0.00 0.97 0.00 0.00 123 S 8.59 4.40 0.00 3.92 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 0.00 124 S 9.55 3.42 0.00 3.82 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 *125 H 8.98 4.51 0.00 3.11 3.00 0.00 7.20 0.00 0.00 0.00 0.00 6.91 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.