NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.7007 8.2233 120.4821 53.9895 42.5271 174.4403 6 N 4.6363 8.8084 121.8810 52.6396 39.4798 173.3778 7 K 4.5801 9.2599 121.7355 54.3914 36.8419 174.4513 8 L 4.8922 8.2221 124.8268 54.0317 43.9279 174.9487 9 F 5.4718 9.3468 125.2708 55.6572 42.1923 174.0463 10 L 4.4576 9.1361 126.1694 53.7707 43.5506 175.1815 11 V 4.9240 8.7512 126.6761 61.2637 34.7020 173.3120 12 Y 5.1926 9.4934 129.6667 56.3978 40.3010 174.6898 13 V 4.6847 8.7053 120.1654 59.4395 35.7715 175.0130 14 G 3.9043 8.3280 108.9207 44.4949 0.0000 172.4818 15 G 4.0291 7.7291 106.8194 46.4450 0.0000 172.0628 16 T 5.1134 8.0022 109.1402 60.2789 71.9277 173.7186 17 A 4.7826 8.1672 123.3520 49.4273 22.3549 174.0150 18 P 4.4483 0.0000 0.0000 64.2609 31.8754 175.3275 19 G 4.1149 9.1235 110.2176 45.6898 0.0000 173.9747 20 A 4.3103 7.4419 121.1813 51.8412 19.1111 177.0874 21 N 4.6123 8.7424 118.5388 54.2127 39.3964 175.2043 22 I 4.6070 7.3048 109.2705 57.9672 40.6016 174.3750 23 E 4.2620 8.6818 121.6994 56.7936 30.0703 175.8569 24 L 5.0124 9.3603 125.8940 53.5856 45.1756 174.9771 25 H 5.4919 8.7871 116.2384 54.4056 32.6117 172.4160 26 D 5.0688 9.1747 120.3714 52.8105 45.4748 173.7414 27 I 4.7835 8.3717 123.1385 59.8358 38.7184 175.3493 28 R 4.6413 9.0502 125.9091 54.2892 33.6467 174.6143 29 F 5.2033 8.6663 120.4577 56.0760 40.7706 175.5703 30 V 4.8600 8.8622 115.8905 59.6570 36.4212 174.5095 31 V 5.3438 8.0149 122.0336 60.4315 34.1036 174.8411 32 G 4.0838 8.3422 112.5277 45.3075 0.0000 172.4547 33 P 5.1467 0.0000 0.0000 64.6302 33.0951 176.7828 34 S 4.5180 7.0757 111.6556 58.0247 66.0159 177.1370 *36 E 2.5441 9.0719 119.2090 55.6068 30.6367 176.9201 37 E 3.9983 7.2683 115.4341 58.0360 29.8114 177.5471 38 T 4.2208 7.2929 108.1394 62.4430 69.9804 176.1045 39 Y 4.3532 7.5415 121.6568 61.1329 37.8630 176.5812 40 P 4.2357 0.0000 0.0000 65.8264 31.4465 178.5325 41 A 4.0809 7.9795 118.8032 54.9403 18.3257 179.6596 42 I 3.6733 8.0683 118.7562 64.6694 36.9814 178.8121 43 R 3.9753 7.9875 118.0234 59.0046 30.0001 178.8260 44 K 4.3376 8.0157 117.1145 59.0278 32.9985 179.0891 45 G 3.8328 8.0090 106.8043 45.9812 0.0000 174.0248 46 W 4.4801 7.8091 131.9387 57.0676 30.9517 176.0152 47 F 4.1979 8.1931 121.3311 58.5648 38.4231 175.9956 48 G 3.2491 4.0000 111.6573 44.3867 0.0000 172.8148 49 T 4.0931 8.1100 119.0737 63.7122 69.4265 174.8768 50 Q 4.1376 8.7789 124.9728 58.3871 29.2649 176.5983 51 K 4.0229 7.8917 119.0627 57.9315 32.3556 176.5953 52 G 3.8782 8.8677 113.9561 45.0567 0.0000 172.6838 53 L 3.8678 7.5068 123.0391 55.1629 42.9751 175.6421 54 H 5.0286 8.4255 121.1908 53.4598 32.4942 171.9223 55 L 4.5037 8.9886 123.4799 54.9274 42.7733 176.5617 56 D 5.1686 9.4798 126.0683 55.4365 43.1758 176.3971 57 S 5.5332 8.3400 110.4252 58.0362 66.2980 173.6345 58 F 5.8160 8.6525 114.9824 56.1689 41.7426 173.3808 59 V 5.0104 9.3655 119.0455 60.3476 34.8196 173.8335 60 H 4.5954 9.9588 125.6457 56.1364 30.0219 174.6162 61 L 4.6274 8.6252 128.0082 54.4227 41.6715 176.5381 62 H 4.8831 9.4637 119.5286 55.6263 31.1044 173.6826 63 H 5.2619 8.0561 115.3636 54.4606 32.7596 172.8443 64 V 4.3880 8.5643 123.0749 62.4353 34.0618 174.7922 65 D 4.6297 10.2519 126.4090 55.4162 38.4842 174.6379 66 G 3.7463 8.6188 105.7242 44.8807 0.0000 172.6375 67 Y 4.9957 8.1638 118.6783 55.9380 40.2672 175.1803 68 R 4.2673 9.2703 126.1191 56.2073 31.5345 175.1306 69 I 4.6832 8.2391 127.6786 60.8817 38.1822 174.9622 70 H 5.0494 9.5597 124.4210 53.9569 31.9243 173.4512 71 L 5.9101 8.7665 120.4601 52.2774 44.4605 175.9642 72 T 4.8635 8.4836 112.6847 60.0437 72.2192 175.1134 73 S 4.3376 8.9737 117.9350 60.4354 63.5667 174.7219 74 E 4.2620 8.2069 116.6349 57.3244 31.3698 177.1606 75 A 3.3474 7.5475 119.2153 50.8617 17.7276 173.8802 *79 P 4.1981 0.0000 0.0000 62.8018 32.2472 175.7426 80 E 4.7075 8.4139 119.7235 54.6035 32.3737 175.7306 81 E 4.0639 8.9053 124.4336 58.7379 30.1565 176.4962 82 K 4.9094 7.6884 116.0938 54.8272 35.1244 174.9991 83 R 4.5941 8.8081 120.3333 54.2787 35.4139 173.8981 84 L 4.5817 8.0383 122.4373 54.8913 43.4174 174.8095 85 Y 5.1347 9.1225 124.1554 56.1467 41.4951 174.1844 86 F 5.2889 9.3580 126.8219 56.7023 41.7740 174.3892 87 V 4.3394 8.2022 126.0754 60.9179 34.2135 173.3792 88 N 4.7089 8.2245 127.2727 52.0549 40.5828 173.4818 89 F 4.9167 7.9323 125.7112 54.8019 39.8890 177.7816 90 G 3.7194 8.4969 116.5250 45.3363 0.0000 174.8113 *101 Y 4.5020 7.3873 114.3626 58.2680 38.7309 174.4886 102 H 4.6095 8.4790 123.7947 57.2917 32.4227 174.3796 103 D 5.0576 8.1707 116.5561 53.8032 40.3885 175.4824 104 F 5.2517 7.5902 112.9503 56.7103 41.5298 172.7600 105 T 4.8082 8.6726 112.8363 61.0976 71.4644 171.9999 106 V 5.0888 8.5380 123.7205 61.2661 33.9214 174.8249 107 V 4.8489 9.0802 120.1002 59.6599 36.3687 174.3585 108 V 4.8071 8.4978 122.0704 61.4369 32.6951 174.7285 109 A 4.7523 8.8758 128.5153 51.1838 22.7332 176.3067 110 D 4.5006 8.8082 118.2851 54.8083 40.6269 177.5935 111 S 4.8068 7.7527 113.1147 55.0672 67.2237 173.1515 112 P 3.5647 0.0000 0.0000 65.6215 31.0204 179.1224 113 Q 3.9357 7.8142 116.8439 58.7885 28.7971 178.4664 114 S 4.1548 8.1244 114.9570 60.8901 63.0809 176.4752 115 A 3.8450 7.6293 124.7788 55.0038 18.0540 179.7259 116 K 3.8690 7.6173 116.9457 59.6334 31.9885 179.7179 117 Q 3.9986 7.9003 117.8841 59.0107 28.4430 178.7630 118 L 4.0601 7.8022 118.6623 57.6723 41.8882 179.1610 119 A 4.2932 8.0871 120.9146 55.1805 17.8423 179.9283 120 R 4.0738 8.2382 116.5484 59.1620 29.9351 178.6683 121 A 3.9412 7.7509 118.6376 53.9354 18.6631 178.7049 122 Q 4.2255 7.5811 113.7952 56.8717 29.0462 177.1896 123 F 4.3392 7.5933 122.6752 60.5950 39.7035 175.7437 124 S 4.2071 7.7802 109.3079 58.9246 67.3667 173.8931 *142 V 3.7134 7.6114 119.3094 62.7124 31.3316 173.5455 143 D 5.0328 8.3006 126.2218 52.3391 44.2805 174.1051 144 D 5.1314 8.0936 117.6435 52.6973 44.0853 174.2975 145 C 5.3794 8.6406 118.7353 56.3046 33.1806 172.6856 146 L 4.8628 9.1703 122.2772 53.4456 45.0175 174.7160 147 C 4.3748 8.7652 126.3210 58.7576 32.2280 173.4745 148 V 3.9447 8.2747 128.8112 61.4813 29.7874 174.5439 149 D 4.6381 8.2898 124.7110 52.2541 41.4825 175.6908 150 L 4.7274 7.7055 120.2630 52.8889 44.4563 175.4052 151 V 4.1830 8.6050 125.8966 62.2388 34.2738 175.0015 152 D 4.1956 9.7208 128.9078 55.8666 38.1812 173.1100 153 N 4.1280 8.0273 106.9450 54.5696 36.7485 174.3354 154 H 5.0557 7.7974 113.7943 54.2635 33.0754 172.5306 155 Y 4.8480 9.1411 120.6380 57.1554 39.8455 174.6894 156 V 4.7375 8.6472 124.1589 61.6906 32.7930 175.0533 157 T 4.7950 8.8432 118.2951 59.8712 71.7304 172.9537 158 L 5.3872 8.3132 122.0780 53.1815 44.7616 175.6265 159 E 4.7840 9.1133 122.2812 54.2656 32.9868 174.3390 160 F 4.3183 9.0572 130.2033 58.4043 39.6461 174.3968 161 D 4.4488 8.3163 122.6184 52.7509 41.4669 176.3100 162 G 3.5717 7.2263 107.8401 45.1512 0.0000 173.8508 163 E 3.9547 8.0012 120.2907 56.3429 29.9493 176.2989 164 Q 4.4408 8.2566 121.7622 54.6792 30.6159 175.1793 165 Q 4.3814 8.2343 120.6753 53.5703 31.5384 172.8685 166 P 4.3712 0.0000 0.0000 62.7795 31.9167 177.2784 167 L 4.4929 8.3247 125.7130 54.1445 40.2354 175.6283 168 V 4.4356 7.4494 113.6699 57.9369 36.0088 173.9247 169 P 4.5748 0.0000 0.0000 62.7121 31.7549 176.8290 170 D 4.5015 8.6448 122.3050 56.7168 41.0648 176.9589 171 W 5.0629 7.2558 127.0811 55.5099 33.7524 173.2243 172 K 4.0592 8.1772 122.3371 53.9916 36.0776 177.6332 173 G 3.6393 6.3283 107.7120 46.0148 0.0000 173.4300 174 Y 4.8871 8.4298 128.6584 56.3316 41.0860 174.6070 175 Q 4.5154 9.2686 129.5247 53.2135 31.2970 172.4717 176 P 4.5423 0.0000 0.0000 62.4112 31.9841 176.6265 177 L 3.6944 8.0703 124.0563 53.5750 42.4406 175.3669 178 P 4.4054 0.0000 0.0000 62.4806 32.2584 176.5644 179 E 4.1639 8.4368 117.5631 56.8610 29.5547 176.6474 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 5 D 8.22 4.70 0.00 2.62 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 6 N 8.81 4.64 0.00 2.65 2.65 0.00 0.00 6.96 6.73 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 7 K 9.26 4.58 0.00 1.36 0.90 0.00 1.60 0.00 0.00 0.98 0.00 0.00 2.72 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.06 1.21 7.81 8 L 8.22 4.89 0.00 1.76 1.68 1.09 0.93 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 9 F 9.35 5.47 0.00 3.03 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 10 L 9.14 4.46 0.00 1.69 1.58 0.98 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.75 4.92 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 1.00 0.00 0.00 0.95 0.00 0.00 12 Y 9.49 5.19 0.00 3.12 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 13 V 8.71 4.68 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 0.53 0.00 0.00 0.87 0.00 0.00 14 G 8.33 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 0.00 0.00 0.00 0.00 15 G 7.73 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 0.00 0.00 0.00 16 T 8.00 5.11 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 1.30 0.00 0.00 17 A 8.17 4.78 1.09 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 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.45 0.00 2.05 2.02 0.00 3.59 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 19 G 9.12 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 20 A 7.44 4.31 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 21 N 8.74 4.61 0.00 2.75 2.91 0.00 0.00 6.77 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 22 I 7.30 4.61 1.93 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.74 0.95 0.00 0.00 23 E 8.68 4.26 0.00 2.04 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 2.33 2.64 0.00 24 L 9.36 5.01 0.00 1.91 1.81 1.10 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 25 H 8.79 5.49 0.00 3.09 2.65 0.00 5.64 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 26 D 9.17 5.07 0.00 3.16 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 I 8.37 4.78 1.50 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 0.68 -0.12 0.00 0.00 28 R 9.05 4.64 0.00 1.59 1.78 0.00 3.30 0.00 0.00 3.40 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.77 0.00 29 F 8.67 5.20 0.00 2.85 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 30 V 8.86 4.86 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 0.75 0.00 0.00 1.05 0.00 0.00 31 V 8.01 5.34 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 0.44 0.00 0.00 0.98 0.00 0.00 32 G 8.34 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 0.00 0.00 0.00 0.00 33 P 0.00 5.15 0.00 2.20 2.12 0.00 3.79 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.02 0.00 34 S 7.08 4.52 0.00 3.88 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 *36 E 9.07 2.54 0.00 1.70 1.65 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 0.00 1.65 1.92 0.00 37 E 7.27 4.00 0.00 2.04 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 0.00 2.26 2.11 0.00 38 T 7.29 4.22 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 1.19 0.00 0.00 39 Y 7.54 4.35 0.00 2.91 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 40 P 0.00 4.24 0.00 2.16 2.12 0.00 3.70 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 41 A 7.98 4.08 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 42 I 8.07 3.67 2.00 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 1.51 0.79 0.82 0.00 0.00 43 R 7.99 3.98 0.00 1.93 2.17 0.00 3.07 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.81 0.00 44 K 8.02 4.34 0.00 1.95 1.96 0.00 1.62 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.47 7.81 45 G 8.01 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 46 W 7.81 4.48 0.00 3.34 3.13 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 47 F 8.19 4.20 0.00 2.96 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 48 G 4.00 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 0.00 0.00 0.00 49 T 8.11 4.09 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 1.23 0.00 0.00 50 Q 8.78 4.14 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 7.08 0.00 0.00 0.00 0.00 0.00 2.51 2.31 0.00 51 K 7.89 4.02 0.00 1.70 1.73 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.43 7.81 52 G 8.87 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 0.00 0.00 0.00 0.00 53 L 7.51 3.87 0.00 1.49 1.30 -0.55 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 54 H 8.43 5.03 0.00 2.55 2.73 0.00 5.50 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 L 8.99 4.50 0.00 1.78 1.67 0.84 0.32 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 56 D 9.48 5.17 0.00 2.95 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 57 S 8.34 5.53 0.00 4.05 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 58 F 8.65 5.82 0.00 3.34 3.31 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 0.00 0.00 0.00 0.00 59 V 9.37 5.01 2.50 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 1.12 0.00 0.00 1.11 0.00 0.00 60 H 9.96 4.60 0.00 3.16 3.54 0.00 5.76 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.63 4.63 0.00 1.65 1.64 1.13 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 62 H 9.46 4.88 0.00 3.10 3.34 0.00 5.45 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 H 8.06 5.26 0.00 3.07 3.33 0.00 5.84 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 V 8.56 4.39 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 1.22 0.00 0.00 1.01 0.00 0.00 65 D 10.25 4.63 0.00 3.08 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 66 G 8.62 3.75 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 0.00 0.00 0.00 67 Y 8.16 5.00 0.00 3.09 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 68 R 9.27 4.27 0.00 1.99 1.75 0.00 2.82 0.00 0.00 2.97 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.38 0.00 69 I 8.24 4.68 1.83 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 1.23 0.67 0.90 0.00 0.00 70 H 9.56 5.05 0.00 3.17 3.19 0.00 5.55 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 8.77 5.91 0.00 1.50 1.59 0.89 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 72 T 8.48 4.86 4.29 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 1.24 0.00 0.00 73 S 8.97 4.34 0.00 3.92 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 74 E 8.21 4.26 0.00 1.88 1.88 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 2.20 2.28 0.00 75 A 7.55 3.35 0.70 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 0.00 0.00 *79 P 0.00 4.20 0.00 2.21 2.09 0.00 3.68 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 1.87 1.98 0.00 80 E 8.41 4.71 0.00 1.92 1.85 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 2.18 2.19 0.00 81 E 8.91 4.06 0.00 1.95 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 0.00 2.31 2.34 0.00 82 K 7.69 4.91 0.00 1.55 1.50 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.44 7.81 83 R 8.81 4.59 0.00 1.47 1.27 0.00 2.98 0.00 0.00 3.03 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.46 0.00 84 L 8.04 4.58 0.00 1.61 1.47 0.90 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 85 Y 9.12 5.13 0.00 2.94 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 86 F 9.36 5.29 0.00 3.12 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 87 V 8.20 4.34 1.72 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 0.33 0.00 0.00 0.80 0.00 0.00 88 N 8.22 4.71 0.00 2.64 2.53 0.00 0.00 6.73 7.07 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 89 F 7.93 4.92 0.00 3.15 2.89 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 90 G 8.50 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 *101 Y 7.39 4.50 0.00 2.93 2.17 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 0.00 102 H 8.48 4.61 0.00 3.16 3.25 0.00 5.86 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 D 8.17 5.06 0.00 2.98 3.04 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 0.00 0.00 0.00 104 F 7.59 5.25 0.00 3.02 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 0.00 105 T 8.67 4.81 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 1.27 0.00 0.00 106 V 8.54 5.09 2.30 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 1.08 0.00 0.00 1.42 0.00 0.00 107 V 9.08 4.85 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 0.73 0.00 0.00 1.03 0.00 0.00 108 V 8.50 4.81 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 -0.01 0.00 0.00 0.89 0.00 0.00 109 A 8.88 4.75 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 0.00 110 D 8.81 4.50 0.00 2.82 2.83 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 0.00 0.00 0.00 111 S 7.75 4.81 0.00 4.01 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 0.00 112 P 0.00 3.56 0.00 2.08 2.04 0.00 3.54 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 2.13 2.27 0.00 113 Q 7.81 3.94 0.00 2.03 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 114 S 8.12 4.15 0.00 4.03 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 0.00 115 A 7.63 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 K 7.62 3.87 0.00 1.85 1.83 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.52 7.81 117 Q 7.90 4.00 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 118 L 7.80 4.06 0.00 1.87 1.78 0.99 0.86 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 0.00 119 A 8.09 4.29 1.46 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 0.00 0.00 120 R 8.24 4.07 0.00 2.12 2.02 0.00 3.15 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.92 0.00 121 A 7.75 3.94 1.32 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 0.00 122 Q 7.58 4.23 0.00 2.34 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.92 0.00 0.00 0.00 0.00 0.00 2.45 2.66 0.00 123 F 7.59 4.34 0.00 2.68 3.02 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 0.00 124 S 7.78 4.21 0.00 3.87 3.58 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.61 3.71 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 0.81 0.00 0.00 0.93 0.00 0.00 143 D 8.30 5.03 0.00 2.68 2.54 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 0.00 144 D 8.09 5.13 0.00 2.78 2.42 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 0.00 145 C 8.64 5.38 0.00 3.06 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 0.00 146 L 9.17 4.86 0.00 1.87 1.79 0.96 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 147 C 8.77 4.37 0.00 3.07 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 0.00 148 V 8.27 3.94 1.69 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 0.26 0.00 0.00 0.22 0.00 0.00 149 D 8.29 4.64 0.00 2.81 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 0.00 150 L 7.71 4.73 0.00 1.42 1.40 0.76 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 151 V 8.60 4.18 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 1.05 0.00 0.00 0.88 0.00 0.00 152 D 9.72 4.20 0.00 2.84 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 0.00 153 N 8.03 4.13 0.00 2.79 2.80 0.00 0.00 6.98 8.16 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 0.00 154 H 7.80 5.06 0.00 3.24 3.16 0.00 5.80 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 0.00 155 Y 9.14 4.85 0.00 2.98 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 0.00 156 V 8.65 4.74 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 0.73 0.00 0.00 0.88 0.00 0.00 157 T 8.84 4.80 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 1.28 0.00 0.00 158 L 8.31 5.39 0.00 1.66 1.81 0.68 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 159 E 9.11 4.78 0.00 2.14 1.87 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 2.27 2.31 0.00 160 F 9.06 4.32 0.00 2.64 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 0.00 161 D 8.32 4.45 0.00 2.56 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 0.00 162 G 7.23 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 0.00 163 E 8.00 3.95 0.00 1.77 1.53 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 2.19 2.13 0.00 164 Q 8.26 4.44 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.74 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 165 Q 8.23 4.38 0.00 1.92 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.92 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 166 P 0.00 4.37 0.00 2.23 2.06 0.00 3.84 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.96 0.00 167 L 8.32 4.49 0.00 1.72 1.75 1.02 1.17 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 0.00 168 V 7.45 4.44 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 0.76 0.00 0.00 0.92 0.00 0.00 169 P 0.00 4.57 0.00 1.80 1.91 0.00 3.31 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.95 0.00 170 D 8.64 4.50 0.00 2.34 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 0.00 171 W 7.26 5.06 0.00 3.11 2.30 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 0.00 172 K 8.18 4.06 0.00 1.49 1.39 0.00 1.59 0.00 0.00 1.48 0.00 0.00 2.62 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.97 1.06 7.81 173 G 6.33 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 0.00 0.00 0.00 174 Y 8.43 4.89 0.00 2.94 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 0.00 175 Q 9.27 4.52 0.00 2.20 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.76 0.00 0.00 0.00 0.00 0.00 1.98 2.17 0.00 176 P 0.00 4.54 0.00 1.90 1.89 0.00 3.74 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 177 L 8.07 3.69 0.00 1.17 1.02 0.50 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 178 P 0.00 4.41 0.00 2.02 2.00 0.00 3.31 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 179 E 8.44 4.16 0.00 1.93 1.82 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 2.23 2.21 0.00 * Residues marked with a * may have inaccurate shift predictions.