NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 G 3.7439 8.2085 109.7365 45.5275 0.0000 175.1254 *21 A 4.2639 7.8456 121.4740 51.7830 20.4521 177.1233 22 D 4.5904 8.1281 114.8511 55.7888 41.7079 177.5159 23 K 4.4982 7.9059 116.2477 56.3141 34.0516 176.3106 24 I 5.1929 7.7474 119.8399 59.4169 40.3316 174.4713 25 A 4.9858 9.0236 126.7384 50.4610 23.4865 174.4915 26 I 5.1808 8.6936 111.8564 59.3789 41.4162 175.0318 27 V 4.7620 8.6006 121.7593 60.4259 35.0494 173.7250 28 N 4.7751 9.5624 122.5290 52.7160 40.8633 175.8335 *30 G 3.9147 8.5348 110.4483 45.7144 0.0000 175.3800 31 S 4.1417 8.8700 114.9658 60.8980 62.2674 176.2070 32 L 3.9760 7.9951 121.8183 57.6608 41.3124 179.0399 33 F 3.9026 8.2815 120.0536 61.3441 39.3435 176.5867 34 Q 3.9424 8.2100 118.8869 59.4952 28.9060 178.4362 35 Q 3.9643 8.1517 118.9166 59.0384 28.7692 179.0771 36 V 3.5512 8.1760 119.4619 65.5100 31.4731 177.9868 37 A 3.7153 7.8844 121.0279 54.9813 17.9820 179.3350 38 Q 3.8279 7.6893 116.5885 59.2743 29.2524 178.0095 39 K 4.0323 7.7862 119.4302 59.7225 32.3074 178.4436 40 T 4.1257 7.9497 108.6847 62.1302 69.1348 175.1835 41 G 3.9056 8.1214 110.1037 46.5117 0.0000 175.9227 42 V 3.5796 7.9710 122.2627 64.9525 31.0265 177.5582 43 S 4.0916 7.9531 113.0649 61.0378 62.2816 175.4725 44 N 4.4000 8.0879 119.3556 56.8352 38.9304 176.9166 45 T 3.9024 8.1469 117.3731 66.5191 68.0789 176.6458 46 L 4.1921 8.0610 121.1337 57.4627 41.6493 178.9746 47 E 4.0561 8.1164 119.2003 59.5328 29.4069 178.6389 48 N 4.3652 8.1602 115.1691 56.4095 38.6875 176.7931 49 E 3.9687 8.1179 119.2327 58.2079 29.9760 177.7228 50 F 4.7294 7.9395 114.9751 56.5593 40.3467 176.9698 51 K 4.0315 8.2082 120.9053 59.6621 31.9657 178.3893 52 G 3.6719 8.1192 105.0086 48.2241 0.0000 175.6902 53 R 3.9728 8.0783 120.4520 58.3996 30.0817 179.0123 54 A 3.5245 8.1628 120.9401 54.9358 18.3257 179.9014 55 S 4.0228 8.2123 113.7589 61.5792 62.7137 176.2318 56 E 3.8992 7.8565 120.6783 59.5997 29.4177 178.6711 57 L 4.1136 7.6038 117.2259 57.7458 41.8542 179.0563 58 Q 4.2050 8.0251 119.6039 58.9621 28.9881 179.5137 59 R 3.9113 8.2841 119.7431 56.1177 30.1141 178.3588 *61 E 3.8874 8.2410 121.3781 56.5080 31.7385 177.7048 62 T 3.8158 7.9498 115.4929 66.7575 68.3107 176.1802 63 D 4.3578 8.4048 120.0082 56.8616 40.9795 177.8198 64 L 3.9653 7.5899 119.7495 57.6263 42.2202 178.2479 65 Q 4.0717 7.8787 117.4527 58.5118 28.6464 177.7227 66 A 4.1779 7.7773 121.5963 54.9011 18.3892 179.6872 67 K 3.9788 7.6254 115.9723 56.7849 32.1731 179.2393 *69 K 4.2226 8.0108 121.9163 56.4052 34.0741 176.8930 70 K 4.1377 7.7504 117.5333 58.9754 32.2236 178.5782 71 L 4.0590 8.4322 121.2085 57.3176 41.9107 177.6941 72 Q 4.4998 7.8847 114.7071 55.7510 29.4042 181.3157 73 S 4.5491 8.0397 113.5213 57.0836 62.4304 173.7801 *75 K 4.0376 7.8377 127.0951 54.4528 33.3789 176.2995 76 A 4.1063 8.5754 124.2303 51.9977 19.0702 178.4320 77 G 3.9853 8.3172 106.0924 44.4738 0.0000 173.2420 78 S 4.0745 8.3585 113.1603 61.6743 62.3048 176.4251 79 D 4.3499 7.9946 121.0964 57.3432 40.6680 178.5958 80 R 3.9407 7.8992 118.8222 59.6573 30.2525 178.5568 81 T 3.9472 8.0649 115.7187 66.1697 68.3603 176.7786 82 K 3.9490 8.0499 121.8593 59.3394 32.2069 178.7446 83 L 3.9746 8.0172 120.6796 57.9636 41.7418 178.7699 84 E 3.9507 7.9908 117.7409 59.4539 29.5828 178.9078 85 K 3.9961 7.7079 117.8608 59.4129 32.3490 178.1253 86 D 4.4657 8.0012 118.3917 57.1681 41.1876 179.7599 87 V 3.7354 8.3021 117.5325 63.3004 31.6726 177.4105 *89 A 4.2775 7.9809 121.0753 51.8833 20.5680 179.9255 90 Q 4.0136 8.3194 114.8089 59.1861 28.6439 178.9636 91 R 3.9468 8.2795 119.4823 59.6634 30.1875 178.8461 92 Q 4.0095 8.1007 118.4540 59.4268 29.1007 178.3307 93 T 3.9089 7.7495 116.6751 66.4303 68.4607 176.3035 94 F 4.0405 8.9992 122.8052 61.3705 39.3301 176.6417 95 A 4.0437 8.4983 120.4362 55.6154 18.1305 179.4909 96 Q 3.8785 8.2950 117.2571 58.5409 29.0046 178.1020 97 K 3.9914 7.9294 120.2214 58.6805 32.6057 178.3526 98 A 3.9116 8.3490 121.4992 54.6310 18.1335 179.5543 99 Q 3.8174 8.3160 118.4483 59.4874 29.2591 178.2518 100 A 4.0829 7.5832 121.2274 55.3359 18.2063 178.7780 101 F 4.2714 8.2855 119.8909 61.0844 39.4746 176.7891 102 E 3.6556 8.6745 117.9202 59.7035 29.4580 179.8984 103 Q 3.8764 8.0614 117.5969 59.2328 28.8530 178.5383 104 D 4.5133 8.0185 119.8095 57.4083 40.7771 178.5037 105 R 2.5100 7.8052 119.4029 58.8154 29.8416 178.1197 106 A 3.8420 7.7854 120.1068 55.1947 18.3852 179.5377 107 R 3.7732 8.2910 117.2317 59.7860 30.1878 178.9098 108 R 4.1285 8.3410 118.2169 59.2183 29.9691 178.9440 109 S 4.0647 8.3974 113.2672 61.5761 62.3518 176.0184 110 N 4.3128 8.2931 119.1417 56.4136 38.3060 177.1928 111 E 3.9732 8.5562 120.3195 59.4732 29.5273 179.4466 112 E 3.9757 8.4242 118.5508 59.6042 29.6492 179.5805 113 R 4.3692 8.4405 118.4909 59.3207 30.0875 179.4380 114 G 3.6547 8.4616 105.8092 47.6375 0.0000 176.0334 115 K 4.0844 8.0643 120.8046 59.0492 31.9989 179.4733 116 L 3.9377 8.0407 119.3776 57.8293 41.5862 179.4431 117 V 3.7374 8.0570 118.0939 66.6086 31.4270 178.1165 118 T 3.8989 7.9835 115.1576 66.8458 68.2220 176.8850 119 R 3.9844 8.0160 119.8435 59.1642 29.9697 179.2768 120 I 3.7371 7.9823 119.7222 64.5809 37.1318 178.5365 121 Q 4.0606 8.5506 119.2324 59.1746 28.4416 179.1080 122 T 3.8688 8.0967 116.7843 66.4573 68.3909 176.6320 123 A 3.9875 7.7851 122.4989 54.9655 18.3424 179.7534 124 V 3.4977 8.1298 117.2122 66.0645 31.5333 178.0148 125 K 3.8605 8.1601 119.3282 59.5542 31.9032 178.4818 126 S 4.0465 8.0471 113.1964 61.5544 62.3811 176.3085 127 V 3.5483 8.0204 120.7653 65.8678 31.1355 177.8135 128 A 3.9883 8.3662 120.9045 55.3450 18.1298 179.4370 129 N 4.2910 8.4772 115.2916 56.4758 38.3498 177.8119 130 S 4.1753 8.2189 116.0865 61.0973 62.9754 175.8394 131 Q 4.4161 7.8108 117.3735 54.3838 29.1756 174.8789 132 D 4.3329 7.5756 118.2662 55.2619 40.1514 173.4960 133 I 4.3475 7.8687 118.4228 59.9954 38.4501 176.1138 134 D 4.6360 8.6666 125.2176 56.0711 41.9750 176.7060 135 L 4.6913 8.2767 120.4241 53.1685 45.6496 175.2994 136 V 4.7292 8.5196 125.8340 61.2345 33.5371 174.6090 137 V 4.2744 8.8084 128.7964 61.2582 33.7282 174.6477 138 D 4.7962 8.5630 126.1914 53.7513 41.9171 176.8218 139 A 4.0188 9.0374 130.4023 55.3191 18.5689 179.0577 140 N 4.2050 8.2221 112.9070 56.1031 39.0288 175.2659 141 A 4.5064 8.1261 119.3283 51.5025 19.2475 176.2183 142 V 4.2646 7.7181 117.5247 61.5715 32.8881 175.5244 143 A 4.3781 8.5398 129.7921 53.6430 19.3332 176.1801 144 Y 4.6479 7.4284 113.8475 56.9367 41.4987 172.4462 145 N 4.5356 7.0757 122.1454 50.6717 40.5344 174.3250 146 S 4.2772 8.4414 115.1744 57.6364 63.0351 174.9996 147 S 4.2337 8.5337 119.2083 60.1726 62.9633 174.3709 148 D 4.5775 7.9341 119.6851 53.2976 39.5823 175.7569 149 V 4.1514 7.5438 121.1388 61.4112 32.3117 175.8625 150 K 4.0684 8.6636 128.1196 56.6670 33.3605 175.6177 151 D 5.0988 8.6400 124.7165 52.7551 41.9257 175.8820 152 I 4.2413 8.5008 120.3464 61.2302 37.8587 177.1704 153 T 3.8445 8.2975 119.4612 67.3745 68.2075 175.9431 154 A 3.9925 7.9313 121.5865 55.4058 18.2916 179.2410 155 D 4.3022 8.0072 115.6978 57.4187 41.1631 178.8026 156 V 3.7258 8.1042 119.1667 65.5798 31.5477 177.6091 157 L 3.8867 7.9869 120.1864 58.4662 41.7239 179.1776 158 K 3.9220 7.5517 116.6236 59.2651 32.0431 178.3854 159 Q 4.3278 7.6943 115.9226 55.2581 29.3359 176.3126 160 V 3.6613 7.2550 121.1817 62.8541 32.1112 175.8895 161 K 4.1894 8.5696 125.2472 56.5954 32.1421 176.2185 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 19 G 8.21 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 *21 A 7.85 4.26 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 22 D 8.13 4.59 0.00 2.87 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 23 K 7.91 4.50 0.00 1.69 1.82 0.00 1.60 0.00 0.00 1.81 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.58 7.81 24 I 7.75 5.19 1.86 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 1.27 0.61 0.90 0.00 0.00 25 A 9.02 4.99 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 26 I 8.69 5.18 1.85 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 1.40 0.89 0.87 0.00 0.00 27 V 8.60 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 0.84 0.00 0.00 0.94 0.00 0.00 28 N 9.56 4.78 0.00 2.75 2.72 0.00 0.00 6.96 8.58 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 *30 G 8.53 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 0.00 0.00 0.00 31 S 8.87 4.14 0.00 3.89 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 32 L 8.00 3.98 0.00 1.81 1.73 0.94 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.28 3.90 0.00 3.10 3.27 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 34 Q 8.21 3.94 0.00 2.26 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 35 Q 8.15 3.96 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 36 V 8.18 3.55 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 0.91 0.00 0.00 0.96 0.00 0.00 37 A 7.88 3.72 1.04 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 0.00 0.00 38 Q 7.69 3.83 0.00 2.04 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.90 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 39 K 7.79 4.03 0.00 1.85 1.78 0.00 1.83 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.43 7.81 40 T 7.95 4.13 4.20 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 1.22 0.00 0.00 41 G 8.12 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 0.00 0.00 0.00 42 V 7.97 3.58 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 0.72 0.00 0.00 0.94 0.00 0.00 43 S 7.95 4.09 0.00 3.91 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 44 N 8.09 4.40 0.00 2.80 2.80 0.00 0.00 7.21 7.22 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 45 T 8.15 3.90 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 1.23 0.00 0.00 46 L 8.06 4.19 0.00 1.92 1.80 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.12 4.06 0.00 2.26 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 2.37 2.41 0.00 48 N 8.16 4.37 0.00 2.92 2.88 0.00 0.00 7.05 7.22 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 49 E 8.12 3.97 0.00 2.11 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 0.00 1.66 2.13 0.00 50 F 7.94 4.73 0.00 3.18 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 51 K 8.21 4.03 0.00 2.10 1.87 0.00 1.56 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.56 7.81 52 G 8.12 3.67 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 0.00 0.00 0.00 53 R 8.08 3.97 0.00 2.13 2.06 0.00 3.36 0.00 0.00 3.49 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.72 0.00 54 A 8.16 3.52 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 55 S 8.21 4.02 0.00 4.01 3.92 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 0.00 0.00 0.00 56 E 7.86 3.90 0.00 1.95 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 2.31 2.36 0.00 57 L 7.60 4.11 0.00 1.52 1.54 0.19 0.44 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 Q 8.03 4.21 0.00 2.20 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.14 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 59 R 8.28 3.91 0.00 2.03 1.93 0.00 3.21 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 *61 E 8.24 3.89 0.00 1.89 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.02 0.00 62 T 7.95 3.82 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 1.20 0.00 0.00 63 D 8.40 4.36 0.00 2.68 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 64 L 7.59 3.97 0.00 1.52 1.62 0.86 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 65 Q 7.88 4.07 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.73 0.00 0.00 0.00 0.00 0.00 2.30 2.64 0.00 66 A 7.78 4.18 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 67 K 7.63 3.98 0.00 1.76 1.81 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.44 1.63 7.81 *69 K 8.01 4.22 0.00 1.87 2.05 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.46 7.81 70 K 7.75 4.14 0.00 1.85 1.82 0.00 1.72 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.51 7.81 71 L 8.43 4.06 0.00 1.64 1.68 0.95 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 7.88 4.50 0.00 2.10 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.00 0.00 0.00 0.00 0.00 0.00 2.20 1.89 0.00 73 S 8.04 4.55 0.00 3.88 3.86 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 *75 K 7.84 4.04 0.00 1.82 1.68 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.02 7.81 76 A 8.58 4.11 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 77 G 8.32 3.99 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 0.00 0.00 0.00 78 S 8.36 4.07 0.00 3.90 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 79 D 7.99 4.35 0.00 2.72 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 80 R 7.90 3.94 0.00 1.98 1.91 0.00 3.31 0.00 0.00 3.43 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.71 0.00 81 T 8.06 3.95 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 1.21 0.00 0.00 82 K 8.05 3.95 0.00 2.02 1.91 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.44 7.81 83 L 8.02 3.97 0.00 1.89 1.64 0.94 0.81 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 84 E 7.99 3.95 0.00 2.14 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 2.34 2.65 0.00 85 K 7.71 4.00 0.00 1.85 2.00 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.46 7.81 86 D 8.00 4.47 0.00 2.89 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 87 V 8.30 3.74 2.18 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 1.01 0.00 0.00 0.95 0.00 0.00 *89 A 7.98 4.28 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 Q 8.32 4.01 0.00 2.25 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.68 0.00 0.00 0.00 0.00 0.00 2.39 2.58 0.00 91 R 8.28 3.95 0.00 1.84 2.03 0.00 3.11 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 92 Q 8.10 4.01 0.00 2.14 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.92 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 93 T 7.75 3.91 4.46 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 1.25 0.00 0.00 94 F 9.00 4.04 0.00 3.16 3.27 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 95 A 8.50 4.04 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.29 3.88 0.00 2.16 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.65 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 97 K 7.93 3.99 0.00 2.04 1.62 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.43 7.81 98 A 8.35 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 Q 8.32 3.82 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 100 A 7.58 4.08 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 0.00 101 F 8.29 4.27 0.00 3.24 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 0.00 102 E 8.67 3.66 0.00 2.02 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 2.68 2.58 0.00 103 Q 8.06 3.88 0.00 2.25 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 104 D 8.02 4.51 0.00 3.03 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 0.00 105 R 7.81 2.51 0.00 1.09 1.47 0.00 2.60 0.00 0.00 2.85 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.50 0.00 106 A 7.79 3.84 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 0.00 107 R 8.29 3.77 0.00 1.87 2.11 0.00 3.11 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.67 0.00 108 R 8.34 4.13 0.00 2.12 2.12 0.00 3.65 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.24 0.00 109 S 8.40 4.06 0.00 3.83 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 0.00 110 N 8.29 4.31 0.00 2.94 2.84 0.00 0.00 7.11 7.74 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 0.00 111 E 8.56 3.97 0.00 2.11 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 0.00 2.34 2.68 0.00 112 E 8.42 3.98 0.00 2.16 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 0.00 2.58 2.53 0.00 113 R 8.44 4.37 0.00 1.86 2.12 0.00 3.71 0.00 0.00 3.45 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.86 0.00 114 G 8.46 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 115 K 8.06 4.08 0.00 2.02 1.89 0.00 1.79 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.48 1.80 7.81 116 L 8.04 3.94 0.00 2.15 1.82 0.87 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 117 V 8.06 3.74 2.28 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 1.10 0.00 0.00 0.98 0.00 0.00 118 T 7.98 3.90 4.42 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 1.22 0.00 0.00 119 R 8.02 3.98 0.00 2.04 1.98 0.00 3.13 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 120 I 7.98 3.74 2.11 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 1.54 0.85 0.95 0.00 0.00 121 Q 8.55 4.06 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.71 0.00 122 T 8.10 3.87 4.44 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 1.21 0.00 0.00 123 A 7.79 3.99 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 0.00 124 V 8.13 3.50 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 1.07 0.00 0.00 0.99 0.00 0.00 125 K 8.16 3.86 0.00 1.93 1.97 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.46 7.81 126 S 8.05 4.05 0.00 3.95 3.99 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 0.00 127 V 8.02 3.55 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 0.95 0.00 0.00 1.00 0.00 0.00 128 A 8.37 3.99 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 N 8.48 4.29 0.00 2.73 2.88 0.00 0.00 7.07 8.39 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 0.00 130 S 8.22 4.18 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 0.00 131 Q 7.81 4.42 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.45 0.00 132 D 7.58 4.33 0.00 2.73 2.70 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 0.00 133 I 7.87 4.35 1.87 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 1.29 0.88 0.98 0.00 0.00 134 D 8.67 4.64 0.00 2.56 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 0.00 135 L 8.28 4.69 0.00 1.72 1.44 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 136 V 8.52 4.73 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 0.84 0.00 0.00 0.93 0.00 0.00 137 V 8.81 4.27 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 0.85 0.00 0.00 0.92 0.00 0.00 138 D 8.56 4.80 0.00 2.79 2.52 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 0.00 139 A 9.04 4.02 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 0.00 140 N 8.22 4.20 0.00 2.72 2.99 0.00 0.00 7.09 7.48 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 0.00 141 A 8.13 4.51 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 0.00 142 V 7.72 4.26 2.18 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 0.82 0.00 0.00 0.92 0.00 0.00 143 A 8.54 4.38 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 0.00 144 Y 7.43 4.65 0.00 3.02 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 0.00 145 N 7.08 4.54 0.00 2.59 2.52 0.00 0.00 6.04 7.64 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 0.00 146 S 8.44 4.28 0.00 3.94 3.79 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 0.00 147 S 8.53 4.23 0.00 4.01 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 0.00 148 D 7.93 4.58 0.00 2.79 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 0.00 149 V 7.54 4.15 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 0.78 0.00 0.00 0.88 0.00 0.00 150 K 8.66 4.07 0.00 1.74 1.70 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.76 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.52 1.43 7.81 151 D 8.64 5.10 0.00 2.64 2.57 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 0.00 152 I 8.50 4.24 1.87 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 1.66 0.55 0.90 0.00 0.00 153 T 8.30 3.84 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 1.22 0.00 0.00 154 A 7.93 3.99 1.31 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 0.00 0.00 155 D 8.01 4.30 0.00 2.79 2.75 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 0.00 156 V 8.10 3.73 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 1.03 0.00 0.00 0.95 0.00 0.00 157 L 7.99 3.89 0.00 1.91 1.79 0.91 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 158 K 7.55 3.92 0.00 1.88 1.87 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.49 7.81 159 Q 7.69 4.33 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.81 0.00 0.00 0.00 0.00 0.00 2.51 2.49 0.00 160 V 7.25 3.66 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 0.74 0.00 0.00 0.99 0.00 0.00 161 K 8.57 4.19 0.00 1.77 1.68 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.12 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.48 1.35 7.81 * Residues marked with a * may have inaccurate shift predictions.