NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.3464 8.0276 122.7421 55.1714 43.7154 174.9581 3 T 4.8742 8.5636 116.5648 59.1281 71.1838 171.4812 4 Y 4.7702 9.0543 126.9906 55.6102 42.1433 175.2495 5 Q 4.3575 8.2916 128.5638 55.2234 29.9605 175.6134 6 V 3.6841 8.1893 127.7814 61.7297 32.6422 176.5580 7 K 4.6065 8.7442 124.5788 54.6807 33.5793 176.0560 8 Q 4.1680 8.3554 119.6426 57.2532 29.0382 176.9260 9 G 3.9425 8.8225 109.2517 46.2227 0.0000 172.9762 10 D 4.6361 7.8431 119.2571 53.7629 41.6077 176.9886 11 T 4.5476 8.1424 114.1172 60.0228 72.4224 175.7725 12 L 4.0050 8.2574 121.8369 58.3021 41.9906 178.5588 13 N 4.3958 8.1301 116.3040 56.3374 38.6738 177.4375 14 S 4.1830 8.2717 115.5534 61.3710 62.9706 176.7450 15 I 3.8208 7.6914 123.5916 64.1909 36.9305 178.1275 16 A 4.0587 8.0512 121.2146 54.9699 18.2514 179.5056 17 A 3.9609 8.2668 119.3964 55.5437 18.5112 179.4891 18 D 4.4011 8.1833 117.3508 57.0254 40.6468 178.2392 19 F 4.4101 7.8891 114.4635 56.3712 39.4602 175.7940 20 R 3.8538 7.6984 118.4410 57.1190 27.7716 174.9693 21 I 4.7523 7.7495 108.8399 58.9213 41.0836 174.8348 22 S 4.5017 8.2837 114.6875 57.7236 64.0435 175.4390 23 T 3.6322 8.4822 111.3310 63.9481 69.2486 175.9351 24 A 4.0861 7.6181 124.7819 54.0165 19.7391 177.2953 25 A 4.5187 7.2868 123.0132 53.4395 16.7034 175.4648 26 L 4.3101 8.6168 122.8041 56.0080 40.0560 176.7910 27 L 3.9426 7.6597 116.2024 58.6456 41.5472 179.2892 28 Q 4.1249 7.9743 116.7223 58.8554 28.7742 178.5785 29 A 4.0793 7.9518 121.2474 55.0817 18.6066 178.6152 30 N 4.5332 10.9304 114.1718 54.7952 39.8441 173.6533 31 P 4.7144 0.0000 0.0000 60.3671 32.0364 175.4722 32 S 4.1557 8.5270 119.8093 61.3935 62.9927 176.3671 33 L 4.1167 7.7701 117.7810 57.2607 40.5121 176.5157 34 Q 4.1552 7.5066 118.9214 56.6007 27.4261 177.2339 35 A 4.5413 8.1458 131.6547 50.4931 19.3710 176.1266 36 G 3.9777 8.4831 109.6246 44.6184 0.0000 174.3571 37 L 4.0837 8.5371 126.2975 55.8960 41.1303 177.0862 38 T 4.3376 8.2095 111.0265 59.2492 69.4565 172.2103 39 A 4.1609 8.3612 131.0223 53.6738 18.7463 177.5432 40 G 3.9332 8.8169 112.2789 45.0706 0.0000 173.2474 41 Q 4.4558 7.6791 121.4931 55.1737 31.4731 174.0413 42 S 5.3219 8.4633 116.5445 56.5258 65.6961 173.8786 43 I 4.7156 8.4897 116.6236 59.2297 41.2033 174.5139 44 V 4.6984 8.2503 115.3940 60.0221 33.3817 175.9971 45 I 4.0919 8.3007 124.9682 59.1062 38.3441 174.6700 46 P 4.1699 0.0000 0.0000 65.6621 31.2186 178.3267 47 G 3.8528 7.9953 102.8863 46.1975 0.0000 173.0259 48 L 4.7839 7.2025 119.0463 51.7287 44.6702 174.7847 49 P 4.4238 0.0000 0.0000 62.0290 32.3220 175.4685 50 D 4.3648 8.4722 119.0076 53.6273 41.3591 175.2511 51 P 4.3483 0.0000 0.0000 65.2365 31.6549 177.5838 52 Y 4.3556 7.9194 116.2219 59.9563 37.9140 176.4131 53 T 4.2073 7.8115 108.9777 62.2594 69.2883 174.6951 54 I 4.2485 7.3865 125.1333 59.6416 37.4981 174.2711 55 P 4.3704 0.0000 0.0000 64.1169 32.1777 175.7172 56 Y 5.3722 7.2958 118.2844 57.6033 39.3013 174.8112 57 H 4.8936 8.7393 121.5256 55.2876 33.6248 171.7923 58 I 4.9458 9.1444 127.3021 59.8650 39.4391 174.5217 59 A 5.2032 9.1299 128.3740 50.1684 21.8435 174.8427 60 V 4.7232 8.9902 123.3880 61.1855 34.4674 174.4539 61 S 5.0134 8.7811 122.3971 56.6994 63.9839 174.6225 62 I 3.6912 8.8350 129.5414 64.5632 37.2365 178.0676 63 G 3.7605 8.1976 107.2616 48.7029 0.0000 174.3841 64 A 4.1174 7.6557 120.8502 51.7714 19.3133 177.0825 65 K 3.8836 7.8286 115.2815 57.8953 30.3885 174.6449 66 T 5.1507 7.5430 106.6724 59.7664 72.7899 173.0839 67 L 5.1040 9.0157 125.8333 53.7290 44.7986 174.9103 68 T 4.9630 9.1243 123.4640 61.7155 71.1926 172.8054 69 L 4.9725 8.7751 129.5127 54.0077 43.2964 175.8128 70 S 5.1595 9.1283 122.2538 56.7249 66.5618 172.8386 71 L 4.6944 8.7404 124.1635 53.6377 44.6646 176.4394 72 N 3.9243 9.5050 126.1023 54.7263 36.5817 173.9243 73 N 4.2840 8.1674 106.8200 54.2249 36.7606 174.7608 74 R 4.5659 7.7695 116.8615 54.2155 32.8717 176.3845 75 V 4.1097 8.1403 116.0315 60.8884 32.6545 175.0696 *77 K 3.9381 8.1562 121.0244 56.6139 33.3785 174.0438 78 T 4.8695 8.0624 119.9670 60.4189 70.0977 172.3510 79 Y 5.0731 8.8387 125.5330 55.4293 41.8328 173.3573 80 P 5.1650 0.0000 0.0000 62.8222 32.7631 175.2040 81 I 4.9726 8.4210 113.4517 59.3789 41.6978 173.9215 82 A 4.8832 8.6495 124.7395 51.4915 20.7480 176.7126 83 V 4.7558 8.3576 112.4448 59.0722 36.5804 175.3303 84 G 4.3806 8.4283 108.6368 45.5494 0.0000 174.0468 85 K 4.3249 8.7134 121.7327 56.0845 32.9372 178.3511 86 I 3.7434 8.4712 114.7489 63.5554 37.5516 176.9209 87 L 4.4792 7.8298 118.4766 55.2574 42.8994 176.4691 88 T 4.7973 7.5499 108.7305 60.4032 67.7840 173.5020 89 Q 4.5397 7.9607 122.3166 56.4328 30.5502 177.4671 90 T 4.5644 8.6047 118.5946 62.3344 68.9905 173.0789 91 P 4.3875 0.0000 0.0000 62.7543 32.2289 175.8601 92 T 4.5991 8.1091 110.2901 60.6296 71.2021 172.7586 93 G 3.5987 8.1399 106.4652 44.1308 0.0000 171.6320 94 E 4.5889 8.0841 119.6010 54.8566 31.0639 175.5749 95 F 4.6930 8.9913 122.5387 55.8099 44.1908 173.0562 96 Y 5.3287 8.8155 115.8569 56.3457 42.5156 175.2791 97 I 4.3640 8.7387 123.0704 61.8768 37.7985 176.3159 98 I 4.2259 8.9531 128.4051 62.8642 38.3347 175.6842 99 N 5.3855 7.9796 117.0964 51.7081 43.3533 173.1786 100 R 5.4162 8.4717 115.3302 55.2720 33.2200 174.1483 101 Q 4.4988 9.4413 121.0308 54.5885 32.6061 173.8065 102 R 2.5847 8.4258 127.0646 56.0145 30.8423 175.6000 103 N 4.2136 8.1382 123.8979 53.9788 37.7245 172.3168 104 P 4.1648 0.0000 0.0000 64.0630 32.3689 178.1463 105 G 3.7912 8.0904 106.8217 45.2713 0.0000 173.5596 106 G 3.6123 8.3126 107.1860 46.1793 0.0000 173.8242 107 P 4.9536 0.0000 0.0000 63.4670 31.6073 177.7358 108 F 4.6913 7.4412 116.9484 57.1023 40.6659 178.2365 109 G 3.7540 7.7997 109.8890 46.6381 0.0000 176.1260 110 A 4.2960 9.2702 122.5023 54.5502 19.8312 177.0055 111 Y 4.9899 7.7917 110.8714 56.8096 42.6637 173.3005 112 W 5.1919 9.4614 132.7762 55.6157 34.1666 174.2599 113 L 5.1183 7.9763 125.9226 52.8062 44.5206 176.1372 114 S 4.5302 8.9401 121.2767 58.5398 64.1532 173.9823 115 L 5.0322 8.4682 124.0415 52.6416 44.1925 177.1853 116 S 4.8310 8.4965 113.5229 58.2472 62.7232 174.0254 117 A 4.7323 8.0740 123.2688 50.8275 21.1385 176.3632 118 A 4.0589 8.8654 126.2706 54.4909 18.6817 177.4006 119 H 4.1372 9.1093 120.6428 56.3813 29.3059 173.6632 120 Y 4.7480 8.1719 116.3498 57.5763 40.5009 174.8887 121 G 3.3293 8.0567 107.6921 45.5591 0.0000 171.2663 122 I 4.7046 7.9762 121.1087 59.5753 39.5557 175.3108 123 H 5.3298 8.7616 121.5477 54.2793 32.6101 172.7793 124 G 4.3702 8.4199 106.9282 47.2410 0.0000 172.9961 125 T 4.7771 8.8068 112.2691 62.4898 70.2555 173.6768 126 N 4.8279 8.5616 123.3019 52.6351 38.3271 174.0908 127 N 5.1858 7.9819 117.9374 51.2343 38.6160 172.9078 128 P 4.1849 0.0000 0.0000 65.0335 32.1265 178.6869 129 A 4.1697 7.9157 119.7367 54.1304 18.4607 178.3236 130 S 4.3205 8.1884 110.6284 60.0324 63.6698 174.7793 131 I 3.6880 7.0929 122.6726 62.6743 37.1248 176.4698 132 G 4.0041 9.1432 113.3914 44.8367 0.0000 173.1686 133 K 4.6626 7.5790 118.2909 54.3677 36.0762 175.7192 134 A 5.0323 8.5827 124.9743 51.3026 17.0799 177.0499 135 V 4.5024 8.9500 118.5586 61.3074 33.8279 176.1918 136 S 4.6820 7.9505 116.4456 56.9877 65.2141 174.9724 137 K 4.3739 8.2331 117.3606 56.5650 32.2293 178.1890 138 G 4.6033 7.6300 118.4919 46.7744 0.0000 173.0696 139 C 4.4270 7.5270 117.2464 59.7552 29.3137 173.4959 140 I 4.2317 7.9453 122.4019 61.1311 38.2483 175.9303 141 R 5.5801 8.1966 125.7302 53.8360 33.9223 174.6785 *143 H 4.7538 8.4005 115.1303 55.7998 30.1084 174.3036 144 N 4.3452 8.9711 120.9709 56.5724 38.5092 177.5744 145 K 3.9146 8.1583 119.4169 60.3927 32.4048 178.6790 146 D 4.2335 7.9766 119.6321 56.7790 40.9206 178.9469 147 V 3.4654 7.5666 119.4531 64.6329 31.3202 178.3802 148 I 3.6029 7.8657 120.5356 64.1197 36.8377 177.9580 149 E 3.8479 7.8972 119.4255 59.1581 29.5244 178.5771 150 L 3.8814 8.0691 120.5157 58.1074 41.9121 178.7940 151 A 3.6952 7.8943 119.7826 55.0745 18.1917 179.2776 152 S 4.0851 7.7497 112.8944 61.3571 62.8861 176.4945 153 I 3.9719 6.7774 119.5468 62.2744 37.8470 176.6151 154 V 3.5543 6.7847 112.4132 59.5794 32.2447 174.7538 155 P 4.5290 0.0000 0.0000 61.7722 32.3108 175.3630 156 N 4.4278 8.4644 116.9346 55.1399 38.8221 175.2652 157 G 4.1122 9.3555 110.9711 45.6701 0.0000 174.4648 158 T 4.0597 7.7354 117.5005 63.8922 69.6394 174.1162 159 R 4.4031 8.7219 125.1779 56.2177 31.8118 175.6933 160 V 4.7739 8.6875 123.2281 61.6068 34.5622 174.1371 161 T 5.0110 9.1464 126.1287 62.0574 70.6138 173.6926 162 I 4.9430 8.8974 128.1265 59.6945 39.5907 174.7283 163 N 5.3829 8.9110 123.4560 50.8633 43.0624 175.1548 164 R 4.0833 8.4931 118.0824 56.7654 30.1784 176.9342 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 L 8.03 4.35 0.00 1.77 1.44 0.28 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 3 T 8.56 4.87 4.25 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 1.22 0.00 0.00 4 Y 9.05 4.77 0.00 2.82 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 5 Q 8.29 4.36 0.00 1.98 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.70 0.00 0.00 0.00 0.00 0.00 2.20 2.22 0.00 6 V 8.19 3.68 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 0.89 0.00 0.00 0.99 0.00 0.00 7 K 8.74 4.61 0.00 1.87 1.76 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.46 7.81 8 Q 8.36 4.17 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.41 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 9 G 8.82 3.94 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 0.00 0.00 0.00 10 D 7.84 4.64 0.00 2.95 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 11 T 8.14 4.55 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 12 L 8.26 4.01 0.00 1.76 1.73 0.94 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 13 N 8.13 4.40 0.00 2.80 2.87 0.00 0.00 6.89 7.57 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 14 S 8.27 4.18 0.00 4.12 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 15 I 7.69 3.82 2.08 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.23 0.89 0.00 0.00 16 A 8.05 4.06 1.49 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 17 A 8.27 3.96 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 18 D 8.18 4.40 0.00 2.83 2.45 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 0.00 0.00 0.00 0.00 19 F 7.89 4.41 0.00 3.16 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 20 R 7.70 3.85 0.00 2.01 2.02 0.00 3.29 0.00 0.00 3.51 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.92 0.00 21 I 7.75 4.75 1.89 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.69 1.03 0.00 0.00 22 S 8.28 4.50 0.00 4.03 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 23 T 8.48 3.63 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 1.27 0.00 0.00 24 A 7.62 4.09 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 25 A 7.29 4.52 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 26 L 8.62 4.31 0.00 1.86 1.97 0.91 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 27 L 7.66 3.94 0.00 1.75 1.83 0.93 0.85 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 28 Q 7.97 4.12 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.97 0.00 0.00 0.00 0.00 0.00 2.40 2.57 0.00 29 A 7.95 4.08 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 30 N 10.93 4.53 0.00 2.72 2.86 0.00 0.00 7.24 7.57 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 31 P 0.00 4.71 0.00 2.29 1.96 0.00 3.94 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.15 0.00 32 S 8.53 4.16 0.00 3.85 3.94 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 33 L 7.77 4.12 0.00 1.75 1.79 0.92 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 7.51 4.16 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.40 0.00 0.00 0.00 0.00 0.00 2.51 2.48 0.00 35 A 8.15 4.54 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 36 G 8.48 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 37 L 8.54 4.08 0.00 1.79 1.71 0.99 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 38 T 8.21 4.34 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 39 A 8.36 4.16 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 40 G 8.82 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 7.68 4.46 0.00 2.13 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.70 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 42 S 8.46 5.32 0.00 3.73 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 43 I 8.49 4.72 1.87 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 1.45 1.38 0.95 0.00 0.00 44 V 8.25 4.70 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 0.71 0.00 0.00 0.89 0.00 0.00 45 I 8.30 4.09 1.54 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.63 0.57 0.00 0.00 46 P 0.00 4.17 0.00 2.02 2.11 0.00 3.62 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 47 G 8.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.20 4.78 0.00 1.56 1.49 1.01 1.02 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 49 P 0.00 4.42 0.00 2.18 2.07 0.00 3.76 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 50 D 8.47 4.36 0.00 2.72 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 51 P 0.00 4.35 0.00 2.11 2.29 0.00 3.63 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.57 0.00 52 Y 7.92 4.36 0.00 3.16 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 53 T 7.81 4.21 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 1.26 0.00 0.00 54 I 7.39 4.25 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0.00 2.13 2.09 0.00 3.90 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 2.12 2.04 0.00 81 I 8.42 4.97 1.89 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.88 0.94 0.00 0.00 82 A 8.65 4.88 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 83 V 8.36 4.76 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 0.70 0.00 0.00 0.93 0.00 0.00 84 G 8.43 4.38 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 K 8.71 4.32 0.00 1.75 1.78 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.58 7.81 86 I 8.47 3.74 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 1.42 0.41 0.92 0.00 0.00 87 L 7.83 4.48 0.00 1.66 1.76 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 88 T 7.55 4.80 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 130 S 8.19 4.32 0.00 4.01 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 0.00 131 I 7.09 3.69 1.83 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.44 0.92 0.00 0.00 132 G 9.14 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 0.00 133 K 7.58 4.66 0.00 1.85 1.67 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.33 1.35 7.81 134 A 8.58 5.03 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 0.00 135 V 8.95 4.50 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 0.80 0.00 0.00 0.93 0.00 0.00 136 S 7.95 4.68 0.00 3.95 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 0.00 137 K 8.23 4.37 0.00 1.76 1.85 0.00 1.88 0.00 0.00 2.33 0.00 0.00 3.00 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.39 7.81 138 G 7.63 4.60 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 0.00 139 C 7.53 4.43 0.00 3.00 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 0.00 140 I 7.95 4.23 1.72 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.51 0.82 0.00 0.00 141 R 8.20 5.58 0.00 1.70 1.78 0.00 3.15 0.00 0.00 3.27 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.36 0.00 *143 H 8.40 4.75 0.00 3.46 3.27 0.00 5.83 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 N 8.97 4.35 0.00 2.77 2.93 0.00 0.00 6.81 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 0.00 145 K 8.16 3.91 0.00 2.00 2.10 0.00 1.51 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.58 7.81 146 D 7.98 4.23 0.00 2.61 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 0.00 0.00 0.00 147 V 7.57 3.47 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.87 0.00 0.00 148 I 7.87 3.60 2.06 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 1.61 0.79 0.95 0.00 0.00 149 E 7.90 3.85 0.00 2.20 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 0.00 2.33 2.35 0.00 150 L 8.07 3.88 0.00 1.49 1.52 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 151 A 7.89 3.70 0.38 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 0.00 0.00 0.00 0.00 0.00 0.00 152 S 7.75 4.09 0.00 3.96 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 0.00 153 I 6.78 3.97 1.64 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 1.47 0.54 0.41 0.00 0.00 154 V 6.78 3.55 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 0.85 0.00 0.00 155 P 0.00 4.53 0.00 2.24 2.20 0.00 3.70 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.09 0.00 156 N 8.46 4.43 0.00 2.76 2.94 0.00 0.00 7.18 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 0.00 157 G 9.36 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 0.00 158 T 7.74 4.06 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 1.33 0.00 0.00 159 R 8.72 4.40 0.00 1.53 1.60 0.00 2.99 0.00 0.00 3.04 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.61 0.00 160 V 8.69 4.77 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.90 0.00 0.00 161 T 9.15 5.01 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 1.35 0.00 0.00 162 I 8.90 4.94 2.12 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.95 0.95 0.00 0.00 163 N 8.91 5.38 0.00 2.61 2.67 0.00 0.00 6.61 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 0.00 164 R 8.49 4.08 0.00 1.80 1.85 0.00 3.24 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 * Residues marked with a * may have inaccurate shift predictions.