NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 P 4.3043 0.0000 0.0000 62.0119 32.5919 175.7310 9 K 3.7366 8.6164 122.3781 55.7045 32.3912 171.9662 10 V 4.1894 8.2808 126.8818 61.1398 33.0741 175.2353 11 V 3.7445 8.1773 126.3533 65.5491 31.3926 177.5713 12 G 3.7206 8.1266 104.3257 47.2938 0.0000 175.0786 13 V 3.9131 7.5434 119.7461 65.4337 31.9442 177.5085 14 E 3.9748 8.0972 118.6354 59.5464 29.1230 179.4828 15 I 3.7701 7.6161 111.7335 63.7797 37.7924 178.0093 16 L 4.1632 7.7172 120.5220 57.6131 41.6498 178.8386 17 E 3.9996 8.1375 118.4664 59.3600 29.1563 179.4733 18 K 3.9503 7.9445 117.6059 59.4081 32.1780 178.6505 19 S 4.4416 7.6853 112.3716 58.3075 62.8833 174.6451 20 G 3.8344 7.9108 109.8719 46.0973 0.0000 173.3734 21 L 4.0656 7.7891 121.2609 54.0204 42.8740 176.4431 22 D 4.5507 8.5554 125.3322 53.8567 41.4905 176.6559 23 I 3.8370 8.1842 129.4410 63.9272 37.3846 178.1222 24 K 3.8963 8.0370 120.1458 59.4315 32.1410 178.6339 25 K 3.9451 8.0591 120.0400 59.1727 31.9968 178.5956 26 L 3.9038 7.9579 120.7041 58.2518 42.0200 179.0950 27 V 3.5421 8.1314 118.6150 65.9891 31.3598 177.3582 28 D 4.2737 8.0665 117.7575 57.3181 40.9925 178.5150 29 K 3.9261 7.9876 118.8188 59.3624 32.0216 179.2807 30 L 3.9833 8.1688 119.5864 57.8426 41.4623 179.8222 31 V 3.6038 8.0316 118.3022 65.9794 31.3997 178.3020 32 K 4.1447 8.1212 118.9962 58.7874 31.5312 179.3177 33 A 3.5804 7.9788 121.2084 55.3305 18.0319 179.9016 34 T 4.2006 8.4652 114.5591 66.7107 68.4991 176.8406 35 A 4.1695 8.5653 123.0276 55.2139 18.3386 179.5660 36 A 4.1529 7.9441 120.1318 54.7792 18.6267 179.5505 37 E 4.0524 8.1410 117.0550 59.4823 29.3953 179.3844 38 F 3.8166 8.1908 120.9040 61.3162 38.9265 177.4552 39 T 3.8681 8.1418 109.5880 64.9920 68.5286 176.4877 40 T 3.7703 8.1495 118.7373 66.6723 68.2369 175.5884 41 Y 4.1706 7.4623 119.4797 60.8597 38.4366 177.5671 42 Y 3.6740 7.2888 120.1971 60.8809 38.9770 177.3578 43 Y 4.1555 8.3930 117.9840 61.2451 37.9177 177.9203 44 Y 4.2072 8.7740 118.1272 60.9655 37.6300 178.5278 45 T 3.7698 7.1716 115.3292 66.8778 68.6431 176.2262 46 I 3.7340 7.2806 119.4117 64.2197 37.2420 178.0624 47 L 4.0948 7.6976 119.0089 57.4240 41.6253 180.4791 48 R 4.0694 8.1660 118.9023 56.5686 29.9066 177.3113 *50 H 4.5133 8.0806 112.3675 54.7484 30.7231 174.7868 51 L 4.3868 7.5694 121.5612 53.8615 39.5783 175.6307 52 T 4.5921 7.7808 113.0551 60.4238 73.2640 177.6109 53 G 3.8731 8.1829 113.9562 47.1115 0.0000 175.0724 *55 E 4.1910 9.2853 120.9108 56.1502 30.9096 177.4327 56 G 3.8719 7.7219 103.0484 45.3208 0.0000 175.1005 57 E 4.0726 7.7946 122.2974 59.3904 29.5722 178.9523 58 G 3.7496 7.9654 103.3036 47.2160 0.0000 175.1304 59 L 4.2224 7.7147 121.2816 57.2123 41.5278 179.2216 60 K 3.9100 7.6558 117.7948 59.6451 32.0047 179.0598 61 E 3.9672 8.1234 117.0214 59.3122 29.5405 179.1080 62 I 3.4700 7.6739 120.2979 64.1069 37.2854 178.0189 63 A 4.3777 8.2338 121.7438 54.9610 18.1643 179.4109 64 E 3.9620 8.4930 118.3560 59.5866 29.7676 178.6524 65 D 4.4605 8.4096 118.8777 57.4255 40.8234 178.7341 66 A 3.9262 8.2670 120.7826 55.1130 18.4517 179.5719 67 R 3.9641 8.3560 117.2403 59.8483 30.2587 178.8281 68 L 4.0883 8.2094 118.6946 57.7982 41.6179 179.3866 69 E 3.9935 8.3513 118.7178 59.4530 29.4189 179.1175 70 D 4.4251 8.4432 119.2565 57.1665 40.8198 178.7157 71 R 3.8179 7.9724 119.3929 59.4511 30.0156 178.6561 72 L 4.0950 7.8060 118.1849 57.8154 41.3073 179.1557 73 H 4.2098 7.9057 115.8909 58.6193 28.6631 177.1728 74 F 4.4789 8.1214 121.5071 61.5263 39.1759 176.6745 75 E 3.9282 8.3208 118.1750 59.1745 28.8270 178.7655 76 L 4.0916 7.8151 116.5598 56.8410 41.4152 178.2115 *78 T 4.0411 7.7088 115.2127 63.9880 70.6379 175.7049 79 Q 4.0095 7.6824 120.5190 59.4348 28.9552 178.6443 80 R 3.9269 7.5769 119.2010 59.3720 30.0334 178.3081 81 I 3.6425 7.8184 119.2330 64.8219 37.1044 177.7968 82 Y 4.2942 7.7419 118.2911 60.2810 37.4972 177.8828 83 E 4.0768 8.1121 118.9540 59.1812 29.6508 178.4833 84 L 4.3911 7.7256 116.1696 54.7197 41.9234 177.7195 85 G 3.8543 8.0981 107.8074 45.2977 0.0000 173.9453 86 G 3.8645 7.8903 110.0364 44.4073 0.0000 172.9696 87 G 3.3159 7.5233 105.9627 43.9211 0.0000 172.9508 88 L 4.2527 7.9589 120.1312 53.1665 42.3658 175.8373 89 P 4.3334 0.0000 0.0000 62.6212 31.8891 176.7809 90 R 3.9806 8.7484 122.5079 58.7479 30.3167 176.6283 91 D 4.9352 8.0110 116.0549 52.3503 44.3387 176.9498 92 I 3.6551 8.1797 125.1262 64.0275 38.1601 178.4912 93 R 3.9876 8.9237 119.7086 58.9818 29.8411 178.7523 94 Q 3.9758 8.0525 117.5393 58.9117 28.5492 178.3894 95 L 3.9196 7.4116 119.7453 58.2356 41.8716 178.5330 96 A 4.2110 7.8457 119.9744 55.4912 18.1159 179.4287 97 D 4.4341 7.9397 116.2959 56.8608 41.3054 178.0311 98 I 4.1616 7.8070 111.5668 59.7851 38.0762 175.4992 99 S 4.2105 7.1844 114.6090 58.8153 62.5829 174.3442 100 A 4.0621 8.7139 130.5045 54.3690 18.3817 177.2801 101 C 4.8675 7.3247 111.9522 57.4411 30.9788 173.9872 102 S 4.1799 8.3045 116.3564 58.0160 62.6258 173.7569 103 D 3.8315 8.1651 125.4747 54.3010 41.1722 177.7393 104 A 4.1223 7.2345 129.7555 51.0230 17.1587 176.5746 105 Y 4.2860 6.7574 119.3090 56.5959 39.1995 176.5442 106 L 3.9503 8.4922 125.1700 54.4527 42.4516 175.3199 107 P 4.6020 0.0000 0.0000 62.2697 32.3448 176.1516 108 E 4.0752 8.7831 119.1951 59.0526 30.3462 177.1375 109 N 4.6559 7.7904 118.4022 52.2666 38.0698 175.8296 110 W 4.3594 7.7134 115.9805 59.0832 29.0540 178.1873 111 K 3.5233 6.9189 117.8103 58.5638 31.8422 176.2663 112 D 4.4986 7.7718 119.3672 52.5871 40.8851 175.0469 113 P 4.3912 0.0000 0.0000 65.6636 31.2515 178.4271 114 K 3.8921 8.0313 118.7552 59.2351 31.7001 179.0181 115 E 3.9468 8.1024 118.8923 59.4454 29.3806 179.3879 116 I 3.6717 7.6937 119.2949 64.3877 37.1955 178.3074 117 L 3.7346 8.0901 119.9734 57.5160 41.3243 179.7027 118 K 3.9159 8.1175 118.5070 59.4678 32.0156 179.5076 119 V 3.5178 7.4596 118.2005 65.8683 31.4302 177.9728 120 L 3.5273 7.6354 118.6952 57.5429 41.2803 179.2670 121 L 4.1292 7.9879 120.5134 58.3442 42.0465 178.8664 122 E 3.9948 8.4482 118.3970 59.3298 29.3856 179.2078 123 A 4.0683 8.0684 120.8488 55.2968 18.4745 179.6087 124 E 4.1309 8.4853 117.1748 59.6900 29.7012 179.5845 125 Q 4.0607 8.4265 118.2791 58.9975 28.6914 178.3886 126 C 4.1091 8.2259 119.6106 62.4195 31.5546 175.4623 127 A 3.9752 8.0710 122.3682 55.0791 17.9473 179.6482 128 I 3.7260 8.0095 118.3013 64.8012 37.4000 178.8123 129 R 3.9551 7.8676 118.3736 59.5025 29.6529 179.3521 130 T 3.6809 7.9836 115.4561 66.5814 68.5053 176.9061 131 W 4.3871 8.2234 120.7426 59.2221 29.0815 178.6909 132 K 4.0121 8.3466 120.1325 59.3685 31.3874 178.3794 133 E 3.9526 7.8819 118.3848 59.2884 29.6134 178.6837 134 V 3.8051 7.3812 117.1504 66.2253 31.9166 177.3741 135 C 4.5533 8.3642 116.4837 62.9816 27.7109 176.3414 136 D 4.3309 7.9095 115.9234 55.3739 40.1627 177.5279 *138 T 4.3063 7.8822 110.8912 61.1767 70.6813 172.8062 139 Y 3.7488 7.9906 124.1305 59.2220 38.7389 175.9840 140 G 3.5001 8.6552 114.6850 45.6465 0.0000 173.1366 141 K 4.3600 7.8148 116.5468 57.2131 35.8515 176.4115 142 D 4.7930 8.1470 120.6294 50.5822 41.4020 173.6805 143 P 4.3059 0.0000 0.0000 65.1306 31.6161 177.7036 144 R 3.8917 7.9456 116.8331 59.9228 30.1412 178.5630 145 T 3.9124 8.0469 115.2018 66.5986 68.4395 176.0686 146 Y 4.0759 8.3215 123.0513 60.1893 38.8796 177.5999 147 D 4.2730 8.2985 118.8485 57.4312 41.3110 178.3484 148 L 3.8332 7.8226 118.9562 57.6019 41.5800 179.3394 149 A 3.5446 7.9774 120.8498 54.9049 18.2383 179.2995 150 Q 3.5942 8.0581 118.3087 59.3436 28.8347 178.7186 151 R 3.7744 7.7300 118.8389 59.3470 30.0613 179.1269 152 I 3.1599 7.2184 119.1395 64.0628 36.9120 177.9190 153 L 3.8447 7.6845 121.5366 58.4800 41.6417 178.7025 154 Q 3.8491 8.1150 119.3288 59.4712 28.8305 178.3963 155 E 4.0130 7.6560 119.1610 59.0117 29.4502 179.0335 156 E 3.8037 8.1392 118.9497 59.2038 29.4954 179.3168 157 I 3.6204 7.8324 120.0325 64.4404 37.2036 178.2913 158 E 3.7015 7.6218 119.1354 59.5283 29.2286 179.1682 159 H 2.8500 7.5759 116.2674 58.3065 28.6535 177.4097 160 E 4.0561 8.2183 120.9577 59.3603 29.4787 178.6632 161 A 4.0469 7.9157 120.6877 54.8884 18.2547 179.6003 162 W 4.2653 7.8820 117.3582 60.2455 29.0718 178.8333 163 F 4.6926 7.7953 117.0230 60.3653 38.3561 177.9222 164 L 4.3088 8.6063 119.4180 57.9243 41.2018 179.1463 165 E 4.6140 8.1433 119.7520 58.5238 29.6037 178.7263 166 L 4.1993 7.5986 118.2640 57.6713 41.9682 179.0329 167 L 3.9512 8.0735 117.5349 57.5020 41.8996 176.7978 168 Y 4.6985 7.7257 113.9649 56.4423 40.3174 175.4051 169 G 4.0606 8.5324 107.4494 45.9913 0.0000 173.8179 170 R 4.3014 8.0528 121.6386 53.7153 30.3475 173.8845 171 P 4.6623 0.0000 0.0000 63.4125 31.2801 174.3757 172 S 4.8673 7.8519 113.0611 58.5793 70.0800 177.1531 173 G 4.1800 7.6886 114.7556 44.0854 0.0000 171.8358 174 H 4.2447 8.9017 125.5712 56.2167 29.8685 172.5111 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 P 0.00 4.30 0.00 2.20 2.12 0.00 3.74 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.97 0.00 9 K 8.62 3.74 0.00 1.82 1.78 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.42 1.66 7.81 10 V 8.28 4.19 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 1.02 0.00 0.00 0.98 0.00 0.00 11 V 8.18 3.74 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 0.99 0.00 0.00 0.93 0.00 0.00 12 G 8.13 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 13 V 7.54 3.91 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 1.07 0.00 0.00 0.93 0.00 0.00 14 E 8.10 3.97 0.00 2.21 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 2.33 2.51 0.00 15 I 7.62 3.77 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 1.74 0.52 0.90 0.00 0.00 16 L 7.72 4.16 0.00 1.99 1.75 0.95 1.02 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 17 E 8.14 4.00 0.00 2.18 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 2.33 2.52 0.00 18 K 7.94 3.95 0.00 1.88 1.87 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.48 7.81 19 S 7.69 4.44 0.00 3.94 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 20 G 7.91 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 21 L 7.79 4.07 0.00 1.60 1.75 0.94 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 22 D 8.56 4.55 0.00 2.75 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.18 3.84 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 1.53 0.66 0.91 0.00 0.00 24 K 8.04 3.90 0.00 1.81 1.79 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.48 7.81 25 K 8.06 3.95 0.00 1.81 1.93 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.43 7.81 26 L 7.96 3.90 0.00 1.91 1.82 0.97 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 27 V 8.13 3.54 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 0.95 0.00 0.00 0.91 0.00 0.00 28 D 8.07 4.27 0.00 2.95 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 29 K 7.99 3.93 0.00 1.98 1.77 0.00 1.79 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.57 1.60 7.81 30 L 8.17 3.98 0.00 1.99 1.76 1.08 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.03 3.60 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 1.10 0.00 0.00 0.92 0.00 0.00 32 K 8.12 4.14 0.00 1.87 1.80 0.00 1.69 0.00 0.00 1.78 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.65 1.40 7.81 33 A 7.98 3.58 0.20 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 0.00 0.00 34 T 8.47 4.20 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 1.38 0.00 0.00 35 A 8.57 4.17 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 36 A 7.94 4.15 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 37 E 8.14 4.05 0.00 2.56 2.49 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 2.97 2.93 0.00 38 F 8.19 3.82 0.00 2.65 3.09 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 39 T 8.14 3.87 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 40 T 8.15 3.77 4.34 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 0.22 0.00 0.00 41 Y 7.46 4.17 0.00 2.71 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 42 Y 7.29 3.67 0.00 2.61 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 43 Y 8.39 4.16 0.00 3.18 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 44 Y 8.77 4.21 0.00 3.07 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 45 T 7.17 3.77 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 1.01 0.00 0.00 46 I 7.28 3.73 1.88 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.01 0.76 0.00 0.00 47 L 7.70 4.09 0.00 1.61 1.56 0.71 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 48 R 8.17 4.07 0.00 1.98 2.01 0.00 3.14 0.00 0.00 3.35 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.84 0.00 *50 H 8.08 4.51 0.00 2.97 3.04 0.00 5.75 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.57 4.39 0.00 1.75 1.84 0.91 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.78 4.59 4.34 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 1.30 0.00 0.00 53 G 8.18 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 0.00 0.00 0.00 *55 E 9.29 4.19 0.00 1.99 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 2.20 2.31 0.00 56 G 7.72 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 0.00 0.00 0.00 57 E 7.79 4.07 0.00 2.39 1.95 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 2.30 2.37 0.00 58 G 7.97 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 59 L 7.71 4.22 0.00 1.82 1.78 0.94 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 60 K 7.66 3.91 0.00 2.00 1.88 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.66 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *138 T 7.88 4.31 4.59 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 1.33 0.00 0.00 139 Y 7.99 3.75 0.00 3.00 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 0.00 140 G 8.66 3.50 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 0.00 141 K 7.81 4.36 0.00 1.67 1.76 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.76 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.27 1.47 7.81 142 D 8.15 4.79 0.00 2.64 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 P 0.00 4.31 0.00 2.21 2.11 0.00 3.66 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 144 R 7.95 3.89 0.00 1.94 1.94 0.00 3.23 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.79 0.00 145 T 8.05 3.91 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 1.29 0.00 0.00 146 Y 8.32 4.08 0.00 3.20 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 D 8.30 4.27 0.00 3.02 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 0.00 148 L 7.82 3.83 0.00 1.67 1.55 0.89 0.74 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 0.00 149 A 7.98 3.54 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 0.00 150 Q 8.06 3.59 0.00 1.23 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.71 0.00 0.00 0.00 0.00 0.00 2.21 2.44 0.00 151 R 7.73 3.77 0.00 1.97 1.82 0.00 3.10 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.74 0.00 152 I 7.22 3.16 0.86 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.16 -0.50 0.00 0.00 153 L 7.68 3.84 0.00 1.81 1.75 0.91 0.76 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 0.00 154 Q 8.11 3.85 0.00 2.29 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.60 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 155 E 7.66 4.01 0.00 2.03 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 2.42 2.41 0.00 156 E 8.14 3.80 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.73 0.00 157 I 7.83 3.62 1.95 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 1.49 0.98 0.86 0.00 0.00 158 E 7.62 3.70 0.00 1.69 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 2.28 2.39 0.00 159 H 7.58 2.85 0.00 3.24 3.21 0.00 5.64 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 E 8.22 4.06 0.00 2.16 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 0.00 2.40 2.43 0.00 161 A 7.92 4.05 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 0.00 162 W 7.88 4.27 0.00 2.89 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 0.00 163 F 7.80 4.69 0.00 3.20 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 L 8.61 4.31 0.00 2.00 1.86 0.97 0.75 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 0.00 165 E 8.14 4.61 0.00 2.24 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 2.37 2.36 0.00 166 L 7.60 4.20 0.00 1.91 1.77 1.12 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 167 L 8.07 3.95 0.00 1.69 0.79 0.87 0.86 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 0.00 168 Y 7.73 4.70 0.00 3.13 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 0.00 169 G 8.53 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 R 8.05 4.30 0.00 1.92 1.93 0.00 3.18 0.00 0.00 3.42 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 171 P 0.00 4.66 0.00 2.24 2.08 0.00 3.86 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 172 S 7.85 4.87 0.00 4.06 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 G 7.69 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 H 8.90 4.24 0.00 3.08 3.06 0.00 5.77 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 * Residues marked with a * may have inaccurate shift predictions.