NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 56 R 4.2807 8.2549 117.2810 55.0674 29.5960 174.3736 57 P 4.1960 0.0000 0.0000 61.5472 31.7469 174.7563 58 K 4.5195 8.9849 124.4935 54.1825 36.2886 175.4849 59 L 4.3423 8.5995 123.6578 53.7649 41.0429 177.9024 60 S 4.3149 8.5856 119.4498 58.0432 64.9477 174.8350 61 T 3.7872 8.4500 119.5347 67.0891 68.1371 176.3130 62 K 3.8100 8.0884 120.5269 59.8315 31.8355 178.3029 63 D 4.2914 7.7381 119.1682 57.1895 40.6720 178.7379 64 L 3.8183 8.0235 119.5212 57.5984 41.5964 179.3622 65 A 3.9076 8.2074 121.0883 54.9670 18.2462 179.5301 66 L 3.8275 7.9542 118.9386 58.1595 42.2113 178.9107 67 I 3.4673 7.7241 120.0169 64.4624 36.9484 178.2019 68 K 3.6211 8.0090 119.9001 59.3143 32.0052 178.6876 69 A 3.8806 7.9770 121.0022 55.1252 18.2818 179.4324 70 D 3.8394 8.2640 117.7688 57.2726 40.8333 178.5936 71 L 3.9553 8.0064 119.7175 58.1070 41.6311 179.6897 72 A 4.5502 7.1726 121.5715 54.8635 18.3363 179.5851 73 E 3.9702 7.9574 116.9734 59.1259 29.3915 179.4222 74 F 4.4337 8.3408 121.1017 61.4105 39.5846 177.1707 75 E 4.2521 9.1010 118.4608 59.4832 29.3519 179.0466 76 A 4.1069 8.3065 120.8137 55.5018 18.4272 179.9793 77 R 3.9339 8.2321 116.4287 59.1302 30.0815 178.8247 78 E 3.8235 8.0883 119.3836 59.1162 29.5682 179.0070 79 L 4.0038 7.9454 119.0039 57.9942 41.7826 179.4941 80 S 4.1902 8.1806 115.0529 61.6965 62.6973 177.0660 81 S 4.0449 8.2128 117.8112 61.4644 62.5055 175.8811 82 E 3.8829 8.0211 121.9160 59.6483 29.2742 179.0583 83 K 3.9944 8.0620 118.0021 59.7194 32.1439 179.4852 84 I 3.9829 7.8957 119.9699 64.2184 36.9905 178.4802 85 L 3.9600 8.5584 120.1462 57.8270 41.5362 179.6532 86 K 3.9543 8.3513 118.6518 59.7844 31.9546 179.2422 87 D 4.3276 8.4104 118.9611 57.2882 40.6601 179.0643 88 T 4.0025 7.9406 116.5178 66.5062 68.3974 176.9071 89 I 3.6623 7.8513 120.9283 64.3643 37.2731 177.9899 90 K 3.9752 8.0041 117.9638 56.4619 33.0089 175.9870 91 E 3.5926 7.8379 117.2536 57.5612 27.3535 174.8566 92 E 3.6660 7.8392 118.8411 55.8610 30.3394 179.0460 93 S 3.9221 8.3880 117.3224 61.1242 62.7453 175.4875 94 W 4.3007 7.4460 114.9811 57.0015 28.9716 175.9634 95 S 3.9617 6.8847 114.4546 57.0695 61.6358 172.6577 96 D 4.6521 7.4014 122.4822 52.8081 42.4663 175.8673 97 L 4.1225 8.3380 119.2156 57.9243 41.9378 178.4827 98 D 4.3456 8.1387 118.9081 57.0916 40.8433 177.9442 99 F 4.1105 8.8248 121.0891 61.3282 39.3661 176.8831 100 A 3.9213 8.2395 120.1443 55.3993 18.2090 179.3746 101 N 4.2348 8.4428 115.1694 56.4305 38.7216 177.3649 102 D 4.2610 8.1668 120.3157 57.5936 40.7509 178.7816 103 N 4.2041 7.5125 115.3188 56.2381 38.5604 177.3880 104 I 3.7772 7.7423 120.6257 64.2746 37.4610 177.8165 105 N 4.4641 8.0315 117.3445 56.3553 38.2717 177.7392 106 Q 3.7025 7.5911 115.0414 57.3236 28.7782 178.4886 *108 I 3.9540 7.8984 119.4648 61.4528 39.1348 177.4291 109 G 3.6622 8.0171 108.9100 49.1414 0.0000 176.2396 110 T 3.5830 7.8866 115.8073 64.0638 68.8062 175.9996 *112 K 4.3691 8.1263 123.2438 56.7133 34.2707 178.4144 113 R 3.9178 8.2634 118.0478 59.6163 29.9021 178.5656 114 Y 4.4909 7.6279 116.3355 61.3727 37.8484 178.6355 115 Q 4.4625 8.5364 119.8791 59.6758 29.2439 178.3414 116 Q 4.1353 8.5520 119.2263 58.6782 28.5230 178.2601 117 E 4.0191 8.8998 119.9641 59.5837 29.9239 179.2279 118 I 3.8565 8.0785 119.5852 64.5440 37.0299 178.6395 119 L 4.3188 8.4170 118.5640 56.8358 41.3813 178.6956 120 S 4.7425 7.6242 112.4948 57.3506 63.9209 174.6869 121 I 3.9004 7.3451 124.3081 61.2867 38.4966 176.0659 122 D 4.2785 8.8229 123.9551 57.5720 41.1508 178.1971 123 A 4.2086 7.9439 119.8129 53.9200 19.0240 179.2059 124 I 3.9982 8.5841 118.0954 63.9019 37.2582 177.8986 125 K 3.9020 8.0848 117.3438 59.5254 32.3458 179.4712 126 R 4.5333 8.1646 116.9020 56.0651 31.6110 178.5784 127 A 4.2474 8.1463 125.3156 54.6401 18.1537 179.8449 128 S 4.2646 8.0958 109.7848 60.3454 63.4785 174.6316 129 E 4.5226 8.0717 119.6580 55.8313 29.4587 174.7097 130 A 4.8086 7.5138 121.7810 49.2101 22.3988 177.1299 131 S 4.2490 8.4857 113.3679 58.7503 64.4609 175.1907 132 A 3.9601 8.5342 123.9235 55.8430 18.1158 179.5796 133 D 4.3975 8.2633 116.4882 57.9805 40.7196 179.4698 134 T 3.8531 7.5290 112.0433 65.1556 67.4579 175.6138 135 E 3.9098 8.0103 120.6546 59.8407 29.4855 178.9019 136 A 4.0139 8.1567 120.2467 55.0079 18.3592 179.4810 137 F 3.9881 8.0432 119.0614 61.5369 39.5313 176.7926 138 K 3.8236 8.4480 119.4168 59.3226 31.9492 178.0393 139 K 3.7908 8.3844 119.3555 60.0955 32.0972 178.4787 140 I 3.6135 7.5534 118.0597 64.1418 37.8252 177.7237 141 F 4.1055 8.0087 121.4295 60.6398 39.0879 177.2091 142 K 3.6942 8.0938 119.5964 59.5313 31.9919 178.7537 143 E 4.1796 8.1558 118.8583 58.9832 29.4647 179.1839 144 W 4.1424 8.5794 129.1423 60.5630 30.8046 178.3164 145 S 3.7143 8.1773 114.5152 61.0191 62.3379 176.1035 146 E 3.9607 8.0275 122.1410 59.2535 29.2758 179.0784 147 F 3.8705 8.0975 120.0504 61.2887 39.3295 177.1819 148 K 3.8720 8.0405 117.8489 59.5356 31.7741 179.4809 149 I 3.7131 7.9907 120.1027 64.3655 37.0156 178.1679 150 E 3.9637 8.5147 120.5314 59.1142 29.4754 178.8235 151 R 3.0173 7.8686 119.0511 59.0253 30.0004 178.6201 152 I 3.5893 7.1870 118.3705 64.1313 37.0702 178.0475 153 Q 3.8707 7.8311 120.5409 59.2293 28.8079 178.7196 154 V 3.4786 7.7984 119.4818 66.0124 31.5220 178.0003 155 T 3.7270 7.4963 112.8574 65.0338 66.9531 176.1343 156 I 3.6437 7.4713 119.6956 63.8894 38.2616 177.1076 157 D 4.4825 8.0753 119.8673 57.6465 40.7427 178.7112 158 L 4.0713 8.1873 119.4149 58.1393 41.4988 179.5126 159 L 4.3258 7.6363 116.3328 56.3449 41.5392 177.9252 160 N 4.8514 8.5084 116.8138 52.1464 38.4391 175.5879 161 G 4.0139 8.0844 107.9186 46.3004 0.0000 173.8685 162 K 4.4648 7.3280 118.9189 54.7806 33.2234 176.9113 163 K 4.5304 8.3357 120.2021 55.9472 34.6781 177.7401 164 D 4.4315 8.4233 119.7612 57.7443 40.7194 178.9692 165 S 4.2144 8.0028 113.7226 61.1956 63.1935 175.8085 166 E 4.0815 8.1961 122.4264 58.9418 29.3447 178.5637 167 A 4.0071 7.8466 121.1064 55.0827 18.5345 179.7847 168 V 3.5250 7.9389 116.8530 65.9176 31.5349 177.8180 169 F 4.0545 8.5900 120.7578 61.5188 38.8561 177.2056 170 K 3.9771 8.3984 117.9147 59.3587 31.5976 179.5768 171 K 3.9299 7.6200 117.3789 59.8789 32.1499 179.1594 172 T 3.8048 8.0710 112.0469 63.3460 68.0614 173.8153 173 Y 4.3447 7.7492 119.6241 54.6320 37.6358 174.0421 174 P 4.6568 0.0000 0.0000 64.0330 32.1017 176.2436 175 N 4.9781 7.6656 116.9260 50.6077 39.0492 174.2086 176 Q 4.2407 8.4826 122.8565 58.4938 29.1258 177.9240 177 I 3.9230 7.7882 120.4405 64.0837 37.4006 178.3454 178 I 3.7286 7.9093 120.2339 64.2618 37.0388 177.6536 179 F 3.7754 8.5101 122.0089 61.6786 39.1027 176.8225 180 K 3.6487 8.4132 119.0510 58.8423 31.9567 178.2465 181 K 3.8765 8.2500 119.5980 59.8479 32.2202 178.7453 182 V 3.4753 8.2596 118.1563 66.2267 31.7160 178.3045 183 R 3.7924 7.8829 118.2010 59.1993 29.7886 179.1184 184 T 3.9325 8.0512 109.6705 64.3281 69.0295 176.7665 185 N 4.2733 8.2391 119.4188 56.2659 38.6569 177.4833 186 K 4.0785 8.0462 119.2003 58.5659 31.9911 179.3579 187 L 3.8040 7.5377 121.0807 57.8644 41.8934 178.3164 188 Q 3.9127 7.9853 119.8297 59.5840 28.8644 178.7659 189 T 3.8185 7.8522 110.3190 64.7645 68.6057 176.1486 190 A 4.0155 7.8053 122.7260 54.8377 18.6472 179.3305 191 L 4.0335 8.2630 117.3978 58.0432 41.7640 179.0489 192 N 4.1967 8.3042 116.4820 56.9903 38.3979 177.2479 193 N 4.3954 8.2656 116.0440 55.7914 38.0512 176.4548 194 L 4.3567 7.7900 119.0445 53.3427 41.6275 176.8702 195 K 3.8968 7.7577 116.9545 57.3039 30.2170 175.4297 196 V 4.0546 7.0674 119.2391 61.3924 32.0293 176.7508 197 G 3.8877 8.3820 120.2611 44.3199 0.0000 170.7349 198 Y 4.5040 7.6222 121.1807 55.8001 41.4705 173.6680 199 E 4.4815 7.9267 128.2296 54.0722 30.1644 175.4245 200 L 4.2299 8.8357 127.5764 54.6223 42.3376 177.5727 201 L 4.1024 9.3162 123.3316 58.0312 41.9095 177.3459 202 D 4.5841 8.1620 121.2817 54.5675 40.8946 176.0441 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 56 R 8.25 4.28 0.00 1.93 2.07 0.00 3.16 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 57 P 0.00 4.20 0.00 2.15 2.05 0.00 3.62 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 58 K 8.98 4.52 0.00 1.63 1.58 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.28 1.42 7.81 59 L 8.60 4.34 0.00 1.59 1.53 0.72 0.90 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 60 S 8.59 4.31 0.00 4.02 3.97 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 61 T 8.45 3.79 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 1.18 0.00 0.00 62 K 8.09 3.81 0.00 1.79 1.79 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.52 7.81 63 D 7.74 4.29 0.00 2.83 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 64 L 8.02 3.82 0.00 1.84 1.61 0.80 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 65 A 8.21 3.91 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 66 L 7.95 3.83 0.00 1.78 1.83 1.06 0.94 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 67 I 7.72 3.47 1.76 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.28 0.56 0.00 0.00 68 K 8.01 3.62 0.00 1.83 1.84 0.00 1.60 0.00 0.00 1.64 0.00 0.00 3.10 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.47 7.81 69 A 7.98 3.88 1.33 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 0.00 0.00 70 D 8.26 3.84 0.00 2.86 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 71 L 8.01 3.96 0.00 0.92 1.21 0.68 0.83 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 72 A 7.17 4.55 1.37 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 0.00 0.00 73 E 7.96 3.97 0.00 1.27 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 2.27 2.24 0.00 74 F 8.34 4.43 0.00 3.55 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 75 E 9.10 4.25 0.00 2.34 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 3.03 3.01 0.00 76 A 8.31 4.11 1.45 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 0.00 0.00 77 R 8.23 3.93 0.00 1.90 1.91 0.00 3.35 0.00 0.00 3.10 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.93 0.00 78 E 8.09 3.82 0.00 2.13 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 0.00 2.17 2.47 0.00 79 L 7.95 4.00 0.00 2.01 1.74 0.98 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.18 4.19 0.00 3.88 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 81 S 8.21 4.04 0.00 3.98 3.84 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.02 3.88 0.00 2.25 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 0.00 2.34 2.44 0.00 83 K 8.06 3.99 0.00 1.95 1.95 0.00 1.77 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.59 1.59 7.81 84 I 7.90 3.98 2.05 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 1.67 0.70 0.99 0.00 0.00 85 L 8.56 3.96 0.00 1.83 1.69 0.85 0.88 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 86 K 8.35 3.95 0.00 1.81 1.87 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.80 7.81 87 D 8.41 4.33 0.00 2.81 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 88 T 7.94 4.00 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 1.21 0.00 0.00 89 I 7.85 3.66 1.84 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 1.61 0.71 0.88 0.00 0.00 90 K 8.00 3.98 0.00 1.69 1.94 0.00 1.79 0.00 0.00 1.67 0.00 0.00 3.07 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.35 1.40 7.81 91 E 7.84 3.59 0.00 2.05 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 2.37 0.00 92 E 7.84 3.67 0.00 1.16 1.12 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 2.03 1.97 0.00 93 S 8.39 3.92 0.00 3.96 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 94 W 7.45 4.30 0.00 3.15 3.28 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 95 S 6.88 3.96 0.00 2.72 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 96 D 7.40 4.65 0.00 2.93 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 97 L 8.34 4.12 0.00 1.78 1.70 0.95 1.22 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 98 D 8.14 4.35 0.00 2.93 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 99 F 8.82 4.11 0.00 3.21 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 0.00 100 A 8.24 3.92 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 0.00 101 N 8.44 4.23 0.00 2.75 2.85 0.00 0.00 7.10 7.89 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 0.00 102 D 8.17 4.26 0.00 2.57 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 0.00 103 N 7.51 4.20 0.00 2.23 2.62 0.00 0.00 7.16 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 0.00 104 I 7.74 3.78 1.90 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 1.59 0.68 0.83 0.00 0.00 105 N 8.03 4.46 0.00 2.99 2.82 0.00 0.00 7.04 7.67 0.00 0.00 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 Q 7.59 3.70 0.00 2.26 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.16 6.39 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 *108 I 7.90 3.95 1.95 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 1.47 0.68 0.86 0.00 0.00 109 G 8.02 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 0.00 110 T 7.89 3.58 4.08 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 0.85 0.00 0.00 *112 K 8.13 4.37 0.00 2.07 1.91 0.00 1.65 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.46 1.49 7.81 113 R 8.26 3.92 0.00 1.80 1.86 0.00 3.09 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 114 Y 7.63 4.49 0.00 3.45 3.15 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 0.00 115 Q 8.54 4.46 0.00 2.40 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.92 0.00 0.00 0.00 0.00 0.00 2.56 2.28 0.00 116 Q 8.55 4.14 0.00 2.28 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.55 0.00 0.00 0.00 0.00 0.00 2.76 2.59 0.00 117 E 8.90 4.02 0.00 2.30 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 0.00 2.44 2.68 0.00 118 I 8.08 3.86 1.99 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.03 0.60 0.00 0.00 119 L 8.42 4.32 0.00 1.73 1.86 1.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 120 S 7.62 4.74 0.00 4.07 4.10 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 0.00 0.00 0.00 121 I 7.35 3.90 1.95 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 1.40 1.06 0.95 0.00 0.00 122 D 8.82 4.28 0.00 2.68 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 0.00 123 A 7.94 4.21 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 0.00 124 I 8.58 4.00 2.20 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.11 1.07 0.00 0.00 125 K 8.08 3.90 0.00 1.96 1.93 0.00 1.89 0.00 0.00 1.70 0.00 0.00 3.18 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.65 7.81 126 R 8.16 4.53 0.00 1.86 2.22 0.00 3.16 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.97 0.00 127 A 8.15 4.25 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 0.00 128 S 8.10 4.26 0.00 4.00 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 0.00 129 E 8.07 4.52 0.00 1.99 1.97 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 2.25 2.23 0.00 130 A 7.51 4.81 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 0.00 131 S 8.49 4.25 0.00 4.05 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 0.00 132 A 8.53 3.96 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 0.00 133 D 8.26 4.40 0.00 2.69 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 0.00 134 T 7.53 3.85 4.22 0.00 0.00 0.00 0.00 0.00 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 0.00 135 E 8.01 3.91 0.00 2.38 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 2.34 2.44 0.00 136 A 8.16 4.01 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 0.00 137 F 8.04 3.99 0.00 3.16 3.25 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 0.00 138 K 8.45 3.82 0.00 1.97 2.03 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.88 7.81 139 K 8.38 3.79 0.00 1.87 1.82 0.00 1.70 0.00 0.00 1.57 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.50 7.81 140 I 7.55 3.61 1.80 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 1.38 1.26 0.84 0.00 0.00 141 F 8.01 4.11 0.00 2.42 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 0.00 142 K 8.09 3.69 0.00 2.02 1.91 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.50 7.81 143 E 8.16 4.18 0.00 2.14 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.39 0.00 144 W 8.58 4.14 0.00 3.36 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 0.00 145 S 8.18 3.71 0.00 3.65 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 0.00 146 E 8.03 3.96 0.00 2.34 2.22 0.00 0.00 0.00 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 2.54 0.00 147 F 8.10 3.87 0.00 2.80 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 0.00 148 K 8.04 3.87 0.00 1.64 1.71 0.00 0.92 0.00 0.00 1.54 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.32 7.81 149 I 7.99 3.71 2.07 0.00 0.00 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 1.36 0.59 0.89 0.00 0.00 150 E 8.51 3.96 0.00 2.22 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 2.60 2.65 0.00 151 R 7.87 3.02 0.00 1.19 1.67 0.00 2.98 0.00 0.00 2.71 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.13 0.00 152 I 7.19 3.59 1.86 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.28 0.80 0.00 0.00 153 Q 7.83 3.87 0.00 2.11 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 154 V 7.80 3.48 1.68 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 0.71 0.00 0.00 0.78 0.00 0.00 155 T 7.50 3.73 4.10 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 0.00 0.00 1.03 0.00 0.00 156 I 7.47 3.64 1.80 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 1.47 0.76 0.94 0.00 0.00 157 D 8.08 4.48 0.00 2.90 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.19 4.07 0.00 1.80 1.68 0.82 0.57 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 0.00 159 L 7.64 4.33 0.00 1.74 1.69 0.89 1.01 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 0.00 160 N 8.51 4.85 0.00 2.79 2.78 0.00 0.00 6.75 8.30 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 0.00 161 G 8.08 4.01 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 0.00 162 K 7.33 4.46 0.00 1.81 1.72 0.00 1.62 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.37 7.81 163 K 8.34 4.53 0.00 1.72 1.77 0.00 1.69 0.00 0.00 1.80 0.00 0.00 2.87 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.34 7.81 164 D 8.42 4.43 0.00 2.75 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 0.00 165 S 8.00 4.21 0.00 4.05 4.12 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 0.00 166 E 8.20 4.08 0.00 2.00 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 0.00 2.31 2.30 0.00 167 A 7.85 4.01 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 0.00 168 V 7.94 3.52 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 0.81 0.00 0.00 0.97 0.00 0.00 169 F 8.59 4.05 0.00 3.30 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 0.00 170 K 8.40 3.98 0.00 1.90 1.89 0.00 1.77 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.57 1.74 7.81 171 K 7.62 3.93 0.00 1.82 1.80 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.54 7.81 172 T 8.07 3.80 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 1.03 0.00 0.00 173 Y 7.75 4.34 0.00 2.43 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 P 0.00 4.66 0.00 2.08 2.12 0.00 3.91 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.90 0.00 175 N 7.67 4.98 0.00 2.88 2.74 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 0.00 176 Q 8.48 4.24 0.00 2.32 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.71 0.00 0.00 0.00 0.00 0.00 2.74 2.81 0.00 177 I 7.79 3.92 1.94 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 1.72 0.95 0.96 0.00 0.00 178 I 7.91 3.73 1.93 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 1.85 0.90 0.92 0.00 0.00 179 F 8.51 3.78 0.00 3.30 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 0.00 180 K 8.41 3.65 0.00 1.99 1.78 0.00 1.86 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.56 7.81 181 K 8.25 3.88 0.00 1.99 1.99 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.50 7.81 182 V 8.26 3.48 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 0.85 0.00 0.00 0.92 0.00 0.00 183 R 7.88 3.79 0.00 1.71 1.97 0.00 3.14 0.00 0.00 2.88 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.47 0.00 184 T 8.05 3.93 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 1.49 0.00 0.00 185 N 8.24 4.27 0.00 2.92 2.87 0.00 0.00 6.95 6.52 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 0.00 186 K 8.05 4.08 0.00 1.73 1.80 0.00 1.57 0.00 0.00 1.51 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.48 7.81 187 L 7.54 3.80 0.00 1.60 1.35 -0.29 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 188 Q 7.99 3.91 0.00 2.25 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.59 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 189 T 7.85 3.82 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 1.23 0.00 0.00 190 A 7.81 4.02 1.52 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 0.00 191 L 8.26 4.03 0.00 1.91 1.91 0.97 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 192 N 8.30 4.20 0.00 2.95 2.89 0.00 0.00 7.14 7.72 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 0.00 193 N 8.27 4.40 0.00 2.82 3.08 0.00 0.00 7.15 8.51 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 0.00 194 L 7.79 4.36 0.00 1.79 1.49 0.56 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 195 K 7.76 3.90 0.00 1.83 1.83 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.32 7.81 196 V 7.07 4.05 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 0.69 0.00 0.00 0.80 0.00 0.00 197 G 8.38 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 198 Y 7.62 4.50 0.00 2.87 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 0.00 199 E 7.93 4.48 0.00 1.75 1.60 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 2.12 2.22 0.00 200 L 8.84 4.23 0.00 1.59 1.66 0.66 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 201 L 9.32 4.10 0.00 1.77 1.84 1.04 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 202 D 8.16 4.58 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 * Residues marked with a * may have inaccurate shift predictions.