NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 V 3.9469 8.0544 120.3921 62.6344 32.6487 174.0639 9 V 4.1089 8.2305 126.5407 61.2209 32.6829 173.4876 10 H 4.9938 9.4404 126.3537 54.4750 30.9566 174.2901 11 D 4.6712 8.5793 120.2205 53.6113 41.7434 174.8781 12 P 4.2673 0.0000 0.0000 63.2405 31.9483 177.5716 13 K 3.7658 9.0156 125.5190 58.2981 33.3728 178.1650 14 G 3.7534 7.9751 107.4679 44.8404 0.0000 171.8123 15 E 4.5429 8.2506 116.6010 54.0692 31.5446 175.3746 16 A 4.8028 8.3097 124.7195 51.8361 18.6363 177.3495 17 V 4.5440 8.6013 122.2937 61.0663 34.4807 174.2368 18 L 4.8999 8.4964 127.8615 52.5230 44.7595 174.0777 19 P 4.6224 0.0000 0.0000 63.1753 32.5762 176.0040 20 S 4.5267 8.9449 120.2393 57.5590 63.4957 175.1364 21 V 4.2923 8.2577 117.4970 60.0994 33.2753 175.9098 22 F 3.9316 7.8387 117.5199 58.9943 36.5173 175.4752 23 E 4.6171 8.4481 116.9655 56.3368 29.8821 176.2789 24 D 4.8093 8.0584 117.2970 52.8624 39.6367 176.9877 25 G 3.9561 8.5084 105.8466 46.4539 0.0000 173.3061 26 T 4.9163 8.0266 108.4399 59.5150 71.8073 174.1322 27 R 4.5098 9.0737 119.0769 56.3017 30.6120 177.0249 28 Q 3.9210 8.9328 116.7176 55.7913 26.8828 175.5823 29 G 3.9845 8.7869 105.3379 44.8811 0.0000 174.1998 30 W 4.6763 8.2023 119.9127 56.7763 30.1053 175.0623 31 D 4.4614 8.8054 122.1205 52.7982 45.1234 173.7299 32 W 5.0376 8.3398 120.2629 56.1353 29.8340 176.8484 33 A 4.2324 9.3930 126.8060 51.8518 18.6005 178.8471 34 G 3.6790 9.0315 109.4168 48.7948 0.0000 174.4296 35 E 4.3455 8.1401 116.2364 56.2056 29.8003 176.5862 36 S 4.1211 7.8842 115.0628 58.4682 62.7008 174.4857 37 G 3.8026 8.4576 114.8338 45.7953 0.0000 173.7019 38 V 4.1031 6.8648 119.0743 60.9318 33.9019 174.9539 39 K 3.0992 7.8790 126.1989 55.6277 33.3667 176.5082 40 T 4.1024 7.6668 108.2385 60.9813 69.3966 173.3810 41 A 4.1286 8.6374 123.7474 52.9434 19.0440 176.9138 42 L 4.9253 9.1254 123.0319 53.6458 43.4386 175.8040 43 T 5.0887 8.8335 113.6862 59.8718 73.0136 172.6228 44 I 4.8020 8.9287 123.2799 60.1085 38.2674 175.5473 45 E 4.8674 9.1672 125.9403 54.1942 34.2481 174.5581 46 E 4.5414 8.8172 123.0668 56.1275 30.8724 176.1105 47 A 3.7614 8.6567 129.5279 51.3388 21.7414 175.5085 48 N 4.1236 9.1661 121.5116 54.6836 37.2682 174.3233 49 G 3.8255 9.3214 101.6797 45.3494 0.0000 173.7973 50 S 4.6743 7.5561 112.0892 56.5220 66.4089 172.7179 51 N 5.2334 8.7933 121.2296 53.0028 39.3303 174.6875 52 A 4.8197 8.9043 123.0162 49.8943 23.5886 175.1098 53 L 4.0287 7.4714 122.5654 55.0424 43.2380 175.9734 54 S 5.2669 9.3212 119.9306 55.9760 66.3979 172.3811 55 W 5.8454 7.8253 121.1513 55.3514 31.7642 172.7764 56 E 5.2712 8.5710 117.6911 54.8430 32.2340 174.5258 57 F 4.7185 8.4146 115.0725 56.6843 41.7347 172.5921 58 G 4.0958 8.5025 105.2624 44.3334 0.0000 172.2815 59 Y 4.9201 8.2931 120.8546 56.9834 38.6504 174.4284 60 P 4.6134 0.0000 0.0000 62.5142 32.4798 176.4960 61 E 4.0503 8.7022 119.5068 59.1911 29.6900 177.8235 62 V 3.7783 7.7012 118.8186 62.1181 31.7042 175.1149 63 K 4.4297 8.4754 127.6699 54.1726 32.5136 175.0131 64 P 4.4536 0.0000 0.0000 62.4571 31.8799 177.0870 65 S 4.1047 8.5464 115.8216 61.0438 63.4587 173.7283 66 D 4.3866 7.9849 120.4836 53.9016 40.1018 176.0454 67 N 4.6210 8.6582 124.5654 54.8548 39.0330 176.0209 68 W 4.9467 8.4902 117.4525 56.3137 30.0381 177.6921 69 A 4.0962 8.3618 123.3688 55.1906 17.8548 179.1474 70 T 4.4397 7.9522 102.2033 61.6375 69.7453 174.2491 71 A 4.7499 7.8905 125.8208 50.4148 19.7662 175.5701 72 P 4.2043 0.0000 0.0000 63.3217 32.9110 175.8781 73 R 4.9840 9.0083 121.7552 54.5285 33.2889 174.7398 74 L 4.7881 8.8705 124.4045 54.5632 43.0062 176.3998 75 D 4.8579 9.3442 120.4917 52.7799 45.5791 174.1649 76 F 4.3018 8.4298 126.2532 56.3636 42.1968 172.7115 77 W 4.9104 8.3343 126.5245 55.0615 30.3660 176.0654 78 K 4.5476 8.2558 125.0369 54.7022 34.8846 175.7732 79 S 4.2150 8.8355 121.6232 58.7745 64.5315 173.3712 80 D 4.4475 8.5455 118.0103 55.1639 38.4188 173.9360 81 L 4.3105 7.2637 121.6514 54.5000 41.9333 175.8535 82 V 4.5185 7.6303 118.2180 59.3220 36.0958 175.7633 83 R 3.0469 8.2579 122.2464 57.4612 30.9626 177.1244 84 G 3.6156 7.3837 106.7346 46.8647 0.0000 173.9835 85 E 4.3034 8.6193 123.5662 56.4760 29.8425 176.3862 86 N 4.6751 7.6436 116.5961 53.4974 39.2645 174.4886 87 D 4.7928 8.9321 119.1227 54.6219 43.6906 175.7208 88 Y 5.3025 7.8625 114.6486 56.1964 43.0176 174.0433 89 V 4.7816 8.8186 122.3027 61.6172 33.6255 174.7846 90 T 5.2756 8.8896 118.0244 60.1621 72.2018 172.7702 91 F 5.5833 8.1233 116.4712 56.2998 41.9593 172.6774 92 D 5.0356 9.2495 121.0667 53.9117 42.2152 175.2075 93 F 5.6584 9.0386 125.7922 56.6995 42.4865 173.3153 94 Y 5.9123 8.8737 123.0194 55.1864 41.8476 174.4270 95 L 5.1609 8.7197 121.5104 53.1740 45.7412 175.0250 96 D 5.5680 9.7164 123.9183 50.5772 41.8685 172.9072 97 P 4.4983 0.0000 0.0000 62.5429 31.9424 176.4808 98 V 3.9838 8.2296 121.6295 64.0910 32.8509 176.2369 99 R 4.4962 7.1121 119.6797 54.4530 33.4020 174.6252 100 A 4.5387 8.2879 126.1063 52.1030 19.7096 175.2938 101 T 4.5773 9.2406 110.9269 61.8673 70.7645 174.0881 102 E 5.0692 7.7154 118.2346 57.4374 32.5435 175.9289 103 G 4.1721 9.7213 105.9904 45.9989 0.0000 170.6396 104 A 4.3314 8.0386 122.9925 51.8092 25.3097 176.4823 *106 N 4.7728 8.7869 112.2368 54.3235 40.6852 173.5909 107 I 4.6468 8.9064 125.4110 59.8046 39.1214 174.7039 108 N 5.3455 8.7254 124.0408 51.1511 42.7340 173.1185 109 L 4.6691 8.2299 122.3765 53.1788 45.1008 175.1955 110 V 4.3879 7.7705 124.8317 60.9328 34.5197 174.2295 111 F 5.3072 8.4513 124.4708 54.4143 42.6652 174.6513 112 Q 5.0867 7.9859 117.0606 52.7924 27.9789 174.3362 113 P 4.3741 0.0000 0.0000 61.4741 32.2750 176.5744 114 P 2.9700 0.0000 0.0000 64.9150 31.3218 177.5067 115 T 4.0051 7.5644 106.2858 62.8791 69.7514 173.8362 116 N 4.8791 7.6946 121.0832 52.8265 38.8603 174.8410 117 G 4.1144 8.4043 101.9950 46.1747 0.0000 172.3914 118 Y 3.6430 7.5665 114.4501 57.8543 35.3824 169.4353 119 W 4.6418 7.7913 127.3882 57.1321 33.5839 173.7924 120 V 4.7618 8.6460 120.8662 59.6123 35.6256 174.6568 121 Q 4.8189 8.5546 122.8052 53.8827 31.8062 174.5550 122 A 4.2477 8.7793 128.5444 51.4536 18.8195 176.9914 123 P 4.2830 0.0000 0.0000 64.8285 31.7348 176.7327 124 K 4.4779 7.2296 115.5952 54.7351 32.9744 176.3136 125 T 4.1669 8.4349 121.2602 63.6993 69.6100 173.2727 126 Y 4.3432 8.6948 127.2227 56.5493 40.3609 174.1767 127 T 4.7686 7.7677 123.0646 61.6857 71.3698 173.3959 128 I 4.0468 8.0358 126.4320 59.3594 39.8368 174.1148 129 N 4.6297 8.2758 125.7548 51.6886 39.2864 175.3099 130 F 4.5089 8.3624 125.5467 59.8746 39.2296 176.3846 131 D 4.6350 8.6433 120.1206 55.6192 41.2257 177.2317 132 E 4.8575 8.1500 118.8812 55.9730 30.2502 177.9041 133 L 4.0782 8.0440 122.6904 57.7425 41.7816 179.3317 134 E 4.1812 8.2519 115.3674 58.6008 29.7020 177.3210 135 E 4.3210 7.9739 116.9535 56.6739 30.2338 176.1597 136 A 4.3804 7.5744 120.5312 51.1743 19.7682 177.1939 137 N 4.5714 8.4603 117.7082 53.4643 39.5137 174.3331 138 Q 4.9047 8.3161 120.3130 55.0052 32.1007 174.2113 139 V 4.1192 8.1669 119.7427 62.3354 34.3076 175.3866 140 N 4.2274 9.9118 126.2238 54.4395 36.0320 175.1821 141 G 3.7176 8.0630 104.4677 45.0258 0.0000 172.2995 142 L 4.6999 7.6000 122.9244 53.6302 43.8166 174.5879 143 Y 4.9971 9.1053 125.1402 56.9284 39.9949 174.1286 144 H 5.1784 8.9327 124.3183 54.5826 31.9675 172.5235 145 Y 4.5230 9.0072 123.8124 56.3501 40.8987 175.2312 146 E 4.4525 8.6844 123.8690 54.9838 29.2352 174.6624 147 V 2.5113 7.9116 124.5981 61.8212 32.7463 174.5131 148 K 4.5943 8.0607 128.4069 54.9690 34.8404 174.9727 149 I 4.6429 8.8957 129.3724 59.2795 40.0924 174.8337 150 N 4.7160 9.1081 126.2688 53.5843 39.3732 174.7147 151 V 4.3255 8.5154 118.7371 61.4419 33.2321 177.9544 152 R 3.8359 7.9557 119.5513 59.3615 29.8550 176.6373 153 D 4.5143 8.3406 115.0277 54.7138 40.9104 176.3545 154 I 4.1065 7.3994 121.8265 60.7076 36.4453 175.9715 155 T 4.1344 8.4039 116.3825 63.4041 69.2850 175.1749 156 N 4.8174 8.1055 118.8412 52.8315 38.5952 174.0977 157 I 4.6081 7.4165 110.7605 59.1134 40.9942 173.8108 158 Q 4.6711 8.5179 119.7072 53.6946 31.7933 176.8108 159 D 4.2949 8.4868 117.9647 56.7767 40.8620 177.8244 160 D 4.6586 7.7262 115.8844 52.8726 39.9784 176.4565 161 T 3.8215 7.3212 117.7931 63.6214 68.8834 173.9999 162 L 4.1856 8.3914 126.7459 54.7784 41.9263 177.6637 163 L 4.1107 8.7536 124.2568 54.5967 42.7129 178.0741 164 R 4.1002 8.7591 123.2932 56.0986 29.7701 175.1234 165 N 5.3655 6.6570 111.6390 51.7131 39.4262 171.8662 *168 I 4.0735 8.2020 117.5621 61.8068 38.9196 174.6633 169 I 4.5588 8.0392 128.1985 59.5611 39.3982 175.0105 170 F 5.0624 9.2534 126.3520 55.6791 39.4987 173.5461 171 A 4.8789 9.1253 124.9135 50.1167 20.6569 176.2841 172 D 3.9285 8.5055 121.4232 54.2013 42.2060 176.5475 173 V 4.2218 8.5312 125.6682 61.1752 32.2625 174.9118 174 E 3.7774 8.2782 127.4069 56.7784 27.3986 174.7598 175 S 5.4306 8.7683 111.6601 56.4351 65.2451 173.0811 176 D 4.9674 8.2889 117.5740 52.7243 39.7572 175.9229 177 F 3.8482 7.9310 122.0891 59.1482 39.8553 173.9817 178 A 4.1173 7.8085 129.5524 49.0707 22.5018 176.6238 179 G 3.3451 6.5532 108.3642 45.5143 0.0000 170.5235 180 R 4.8583 7.5543 119.9284 54.7162 32.4910 176.8803 181 V 4.7362 7.8096 117.7589 59.5435 36.0535 174.5225 182 F 5.1771 8.6328 119.7301 56.0087 43.7528 173.8824 183 V 5.2371 9.1645 122.8551 61.3429 34.3605 173.7966 184 D 5.3398 9.1880 126.1049 52.9066 45.6221 174.1061 185 N 4.3374 8.8579 116.8983 54.3724 36.0411 174.6846 186 V 4.1696 7.6637 118.3546 62.9982 32.8666 175.4099 187 R 4.9142 8.7742 122.8777 55.2367 33.1065 174.0703 188 F 5.1490 8.8479 119.0880 57.5026 40.0555 174.7602 189 E 4.9133 9.5711 119.5790 54.9781 33.4030 174.5875 190 G 4.3047 8.7033 107.2950 45.1045 0.0000 173.8077 191 A 4.6623 8.8886 123.2538 52.4055 18.3840 177.7533 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 8 V 8.05 3.95 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 0.90 0.00 0.00 0.94 0.00 0.00 9 V 8.23 4.11 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 0.85 0.00 0.00 0.93 0.00 0.00 10 H 9.44 4.99 0.00 3.12 3.33 0.00 5.76 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.58 4.67 0.00 2.62 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 12 P 0.00 4.27 0.00 2.11 2.02 0.00 3.81 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.13 0.00 13 K 9.02 3.77 0.00 1.85 1.81 0.00 1.78 0.00 0.00 1.78 0.00 0.00 2.76 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.47 7.81 14 G 7.98 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 15 E 8.25 4.54 0.00 2.01 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 2.32 2.23 0.00 16 A 8.31 4.80 0.79 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 0.00 0.00 17 V 8.60 4.54 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 0.93 0.00 0.00 1.05 0.00 0.00 18 L 8.50 4.90 0.00 1.81 1.65 0.70 1.21 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 19 P 0.00 4.62 0.00 1.99 2.00 0.00 3.75 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.19 0.00 20 S 8.94 4.53 0.00 3.52 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.26 4.29 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 0.78 0.00 0.00 0.89 0.00 0.00 22 F 7.84 3.93 0.00 3.43 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.45 4.62 0.00 1.97 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 2.42 2.24 0.00 24 D 8.06 4.81 0.00 2.77 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 25 G 8.51 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.03 4.92 4.45 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 1.30 0.00 0.00 27 R 9.07 4.51 0.00 2.18 2.30 0.00 3.37 0.00 0.00 3.27 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.81 0.00 28 Q 8.93 3.92 0.00 2.32 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.45 0.00 0.00 0.00 0.00 0.00 2.36 2.30 0.00 29 G 8.79 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 30 W 8.20 4.68 0.00 3.48 3.19 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 0.00 31 D 8.81 4.46 0.00 2.66 2.47 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 32 W 8.34 5.04 0.00 3.20 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 33 A 9.39 4.23 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 34 G 9.03 3.68 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 0.00 0.00 0.00 35 E 8.14 4.35 0.00 2.09 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 2.39 2.35 0.00 36 S 7.88 4.12 0.00 4.08 3.53 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 37 G 8.46 3.80 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 0.00 0.00 0.00 38 V 6.86 4.10 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 0.57 0.00 0.00 0.66 0.00 0.00 39 K 7.88 3.10 0.00 1.48 1.55 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.68 1.00 7.81 40 T 7.67 4.10 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 41 A 8.64 4.13 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 42 L 9.13 4.93 0.00 1.49 1.46 -0.32 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.83 5.09 4.37 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 1.26 0.00 0.00 44 I 8.93 4.80 1.92 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 1.29 0.99 1.08 0.00 0.00 45 E 9.17 4.87 0.00 2.09 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 2.23 2.37 0.00 46 E 8.82 4.54 0.00 1.94 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.19 0.00 47 A 8.66 3.76 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 N 9.17 4.12 0.00 2.29 2.49 0.00 0.00 7.26 7.98 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 49 G 9.32 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 50 S 7.56 4.67 0.00 3.89 3.71 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 0.00 0.00 0.00 0.00 51 N 8.79 5.23 0.00 3.13 2.86 0.00 0.00 6.65 7.31 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 52 A 8.90 4.82 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 53 L 7.47 4.03 0.00 0.27 0.93 0.71 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 54 S 9.32 5.27 0.00 3.71 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 55 W 7.83 5.85 0.00 3.62 3.29 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 56 E 8.57 5.27 0.00 2.02 1.83 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 2.18 2.31 0.00 57 F 8.41 4.72 0.00 3.12 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 G 8.50 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 0.00 0.00 0.00 59 Y 8.29 4.92 0.00 3.05 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 60 P 0.00 4.61 0.00 2.38 2.13 0.00 4.10 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 2.18 2.10 0.00 61 E 8.70 4.05 0.00 2.01 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 2.34 2.32 0.00 62 V 7.70 3.78 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 0.82 0.00 0.00 0.95 0.00 0.00 63 K 8.48 4.43 0.00 1.80 1.77 0.00 1.94 0.00 0.00 1.85 0.00 0.00 3.15 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.52 1.41 7.81 64 P 0.00 4.45 0.00 2.25 2.02 0.00 3.74 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 65 S 8.55 4.10 0.00 3.96 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 66 D 7.98 4.39 0.00 2.78 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 67 N 8.66 4.62 0.00 2.70 2.94 0.00 0.00 7.05 7.68 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 68 W 8.49 4.95 0.00 3.57 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 69 A 8.36 4.10 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.95 4.44 4.55 0.00 0.00 0.00 0.00 0.00 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 71 A 7.89 4.75 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 4.20 0.00 2.22 1.80 0.00 3.94 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.25 0.00 73 R 9.01 4.98 0.00 1.79 1.86 0.00 3.17 0.00 0.00 3.11 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.73 0.00 74 L 8.87 4.79 0.00 1.73 1.93 0.74 -0.12 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 75 D 9.34 4.86 0.00 2.94 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 F 8.43 4.30 0.00 1.51 2.01 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 77 W 8.33 4.91 0.00 2.92 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 78 K 8.26 4.55 0.00 1.24 1.58 0.00 1.95 0.00 0.00 1.97 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.29 7.81 79 S 8.84 4.22 0.00 3.93 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 80 D 8.55 4.45 0.00 2.81 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 81 L 7.26 4.31 0.00 1.93 1.54 1.26 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 82 V 7.63 4.52 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 0.71 0.00 0.00 0.75 0.00 0.00 83 R 8.26 3.05 0.00 1.59 1.69 0.00 3.37 0.00 0.00 3.38 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.54 0.00 84 G 7.38 3.62 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 T 7.77 4.77 4.04 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 1.09 0.00 0.00 128 I 8.04 4.05 1.46 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.88 0.18 0.00 0.00 129 N 8.28 4.63 0.00 2.59 2.62 0.00 0.00 7.22 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 0.00 130 F 8.36 4.51 0.00 3.40 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 0.00 131 D 8.64 4.64 0.00 2.90 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 0.00 132 E 8.15 4.86 0.00 2.11 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 2.23 2.38 0.00 133 L 8.04 4.08 0.00 1.71 1.53 0.83 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 134 E 8.25 4.18 0.00 2.13 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 0.00 2.32 2.32 0.00 135 E 7.97 4.32 0.00 2.20 2.06 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 2.31 2.31 0.00 136 A 7.57 4.38 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 0.00 137 N 8.46 4.57 0.00 2.68 2.70 0.00 0.00 6.41 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 0.00 138 Q 8.32 4.90 0.00 1.40 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.72 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 139 V 8.17 4.12 1.98 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 0.91 0.00 0.00 0.87 0.00 0.00 140 N 9.91 4.23 0.00 2.76 2.76 0.00 0.00 7.28 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 0.00 141 G 8.06 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 0.00 142 L 7.60 4.70 0.00 1.63 1.50 0.66 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 143 Y 9.11 5.00 0.00 3.19 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 0.00 144 H 8.93 5.18 0.00 3.16 3.08 0.00 5.72 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 Y 9.01 4.52 0.00 3.10 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 0.00 146 E 8.68 4.45 0.00 1.77 1.80 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 2.02 2.11 0.00 147 V 7.91 2.51 0.67 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 -0.20 0.00 0.00 0.05 0.00 0.00 148 K 8.06 4.59 0.00 1.55 1.53 0.00 1.44 0.00 0.00 1.34 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.91 1.07 7.81 149 I 8.90 4.64 1.91 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 1.16 0.47 0.95 0.00 0.00 150 N 9.11 4.72 0.00 2.81 2.78 0.00 0.00 7.09 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 0.00 151 V 8.52 4.33 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 1.04 0.00 0.00 1.17 0.00 0.00 152 R 7.96 3.84 0.00 1.68 1.99 0.00 3.23 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.66 0.00 153 D 8.34 4.51 0.00 2.71 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 0.00 154 I 7.40 4.11 2.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.54 0.96 0.00 0.00 155 T 8.40 4.13 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 1.21 0.00 0.00 156 N 8.11 4.82 0.00 2.76 3.01 0.00 0.00 6.70 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 0.00 157 I 7.42 4.61 1.77 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 1.52 0.59 0.86 0.00 0.00 158 Q 8.52 4.67 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.83 0.00 0.00 0.00 0.00 0.00 2.22 2.24 0.00 159 D 8.49 4.29 0.00 2.63 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 0.00 160 D 7.73 4.66 0.00 2.70 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 0.00 161 T 7.32 3.82 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 1.11 0.00 0.00 162 L 8.39 4.19 0.00 1.64 1.54 0.89 0.60 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 0.00 163 L 8.75 4.11 0.00 1.59 1.50 0.09 0.57 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 0.00 164 R 8.76 4.10 0.00 1.90 1.90 0.00 3.30 0.00 0.00 3.44 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.55 0.00 165 N 6.66 5.37 0.00 2.13 1.42 0.00 0.00 6.71 7.31 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 *168 I 8.20 4.07 1.76 0.00 0.00 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 1.17 0.76 0.28 0.00 0.00 169 I 8.04 4.56 1.16 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.26 -0.05 0.00 0.00 170 F 9.25 5.06 0.00 3.13 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 0.00 171 A 9.13 4.88 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.51 3.93 0.00 1.58 2.25 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 0.00 173 V 8.53 4.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.99 0.00 0.00 174 E 8.28 3.78 0.00 2.24 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 2.32 2.29 0.00 175 S 8.77 5.43 0.00 4.35 4.37 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 0.00 176 D 8.29 4.97 0.00 2.75 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 0.00 177 F 7.93 3.85 0.00 2.48 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 0.00 178 A 7.81 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 G 6.55 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 R 7.55 4.86 0.00 1.76 1.65 0.00 2.93 0.00 0.00 2.69 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.22 0.00 181 V 7.81 4.74 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 -0.54 0.00 0.00 182 F 8.63 5.18 0.00 3.02 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 0.00 183 V 9.16 5.24 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 0.55 0.00 0.00 1.19 0.00 0.00 184 D 9.19 5.34 0.00 3.04 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 0.00 185 N 8.86 4.34 0.00 3.16 2.92 0.00 0.00 6.55 7.68 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 0.00 186 V 7.66 4.17 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 1.00 0.00 0.00 0.51 0.00 0.00 187 R 8.77 4.91 0.00 1.98 2.01 0.00 2.86 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.66 0.00 188 F 8.85 5.15 0.00 2.98 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 E 9.57 4.91 0.00 2.06 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 2.30 2.41 0.00 190 G 8.70 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 A 8.89 4.66 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.