NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 G 3.8544 8.3544 109.7357 45.3736 0.0000 172.6848 13 Q 4.1096 8.3684 127.9236 52.2270 29.8110 170.4697 14 V 3.9707 8.7417 126.8297 62.9411 32.9810 175.5860 15 K 4.5873 9.3063 127.4245 53.3447 34.7884 173.2228 16 V 4.7103 7.8457 123.5948 60.3628 34.5282 174.2356 17 F 5.3404 9.0714 124.9002 55.7270 43.7667 173.3808 18 R 4.9408 8.8427 121.6678 54.1494 32.5812 175.0077 19 A 4.3731 9.0356 129.1800 52.4740 18.8039 177.9974 20 L 4.0963 8.8983 122.9094 56.2400 42.6977 176.8258 21 Y 5.0124 7.5499 113.6679 56.0158 42.1765 175.5477 22 T 4.1573 8.8699 118.7718 63.9981 69.5971 173.3603 23 F 4.6424 9.9863 129.3579 56.5622 41.3018 173.8156 24 E 5.0777 8.0811 126.2372 53.8546 30.8235 174.5350 25 P 4.3786 0.0000 0.0000 62.5211 32.2548 176.2159 26 R 4.5029 9.1834 115.3982 56.0224 30.3688 175.9654 27 T 4.6025 7.7781 115.8089 60.9635 71.2832 172.9317 28 P 4.7761 0.0000 0.0000 65.0114 31.8442 177.1987 29 D 4.4756 8.0442 117.8200 56.4363 41.1477 175.7012 30 E 5.3452 9.1398 118.3403 54.4661 30.7490 176.6293 31 L 4.2709 8.5756 123.0251 55.0332 42.8168 176.5852 32 Y 4.7139 8.7761 124.5007 57.0608 38.6050 173.9455 33 I 4.3023 8.4357 128.2723 59.6394 39.3860 175.1591 34 E 4.3707 9.1272 126.5447 53.9734 32.2855 175.2458 35 E 3.8688 8.3132 122.5875 58.4514 29.8592 177.6730 36 G 3.9095 8.9339 115.4078 45.1056 0.0000 173.4571 37 D 4.4412 7.9936 120.2288 54.5500 41.9873 175.5296 38 I 4.6242 8.0531 122.5166 60.2268 38.8378 175.1590 39 I 4.8109 8.9323 126.6201 59.6950 40.9129 173.9734 40 Y 5.1190 9.5025 124.3566 56.4135 40.4975 174.6841 41 I 5.0597 9.1043 125.6252 60.0232 39.8327 176.4048 42 T 4.6858 8.2136 119.2705 63.5624 70.6661 173.8265 43 D 4.6955 7.7885 118.6693 52.1571 44.6914 174.7794 *45 S 4.5493 8.5307 116.3546 58.2963 64.8208 174.5607 46 D 4.7077 8.1053 119.0541 54.1607 41.3269 176.5085 47 T 4.0873 8.6836 112.3981 64.8045 69.2765 175.1753 48 N 4.4519 8.0536 118.7426 52.1100 41.2147 174.2928 49 W 5.3771 7.9754 117.1377 54.5242 32.8726 174.7916 50 W 5.3091 9.3752 123.8608 54.7003 32.5859 174.4899 51 K 4.7325 8.9269 125.1451 56.2531 33.0634 175.8120 52 G 4.6215 9.3318 113.4930 45.0899 0.0000 170.9862 53 T 5.4478 9.2337 116.8710 61.7661 71.9516 173.5240 54 S 4.9691 9.4097 119.3246 57.7715 66.5331 174.1997 55 K 4.0351 9.9162 125.1444 57.6225 29.5109 176.2837 56 G 3.9984 8.4367 104.5111 45.6922 0.0000 173.9844 57 R 4.6440 7.9516 119.4710 54.7575 31.9108 175.0824 58 T 5.0491 8.0034 118.3575 61.9159 71.1523 173.8621 59 G 4.0350 8.3001 110.9184 46.2476 0.0000 171.8682 60 L 5.2030 8.0158 119.5424 54.1222 43.6112 176.6279 61 I 4.7595 8.9158 122.3745 58.6974 41.3216 173.4403 62 P 3.9538 0.0000 0.0000 62.1153 31.9754 177.6120 63 S 2.7987 7.9531 119.0382 60.8907 62.3789 176.2558 64 N 3.9946 7.5367 120.0864 56.6695 38.4947 175.8966 65 Y 3.9538 7.4274 120.7407 60.6891 39.0033 178.2717 66 V 3.1080 7.4293 118.3606 65.6554 31.4078 177.7414 67 A 4.0034 7.5608 119.4185 55.1337 18.3661 178.9379 68 E 4.2871 8.0782 115.4103 57.8133 30.0974 177.2964 69 Q 4.8045 8.0159 115.7552 55.0272 31.3193 174.7484 70 A 5.1076 7.6313 118.7165 50.0452 22.7299 175.9264 71 E 4.8648 8.9681 118.1129 54.0789 32.2315 175.8771 72 S 4.2103 8.9514 118.3098 58.4605 64.1159 173.6950 73 I 4.2995 8.2497 123.5264 59.7775 38.2352 175.4278 74 D 4.3892 8.8742 128.1771 56.7585 41.3016 177.0535 75 N 5.0464 7.6115 114.7046 50.3939 39.1048 172.9977 76 P 4.0360 0.0000 0.0000 65.5915 31.8792 178.4200 77 L 3.5885 7.6643 119.6135 58.0301 41.9382 178.4531 78 H 4.1502 8.1442 115.5151 58.9178 28.7146 177.3808 79 E 3.8260 8.1231 120.0000 59.3178 29.3432 179.1642 80 A 3.9780 7.4171 120.6767 55.1568 18.4790 179.5691 81 A 3.9016 8.0384 119.2835 55.2267 18.2785 179.7147 82 K 4.2261 8.1795 117.2371 59.5265 32.3732 178.3788 83 R 4.4019 7.9389 115.4070 55.4999 30.4893 176.5741 84 G 3.3828 7.5596 106.4110 46.9387 0.0000 174.7763 85 N 4.6848 8.3980 120.5170 51.7276 38.3972 174.0787 86 L 3.9442 8.1802 129.1611 57.8281 42.5237 178.1130 87 S 4.1335 8.1185 112.6514 61.2798 62.3210 175.8402 88 W 4.4790 8.8591 131.1502 60.2884 30.4319 177.4030 89 L 3.7634 8.2035 120.5615 58.4620 41.4168 179.2126 90 R 3.9209 8.3040 117.9851 59.3267 30.0784 178.6710 91 E 3.9196 8.3136 118.9827 59.3579 29.6549 178.6124 92 C 4.1653 8.3764 116.8945 62.9352 28.2413 176.0875 93 L 3.9782 7.8236 120.4084 58.0183 40.9833 179.3875 94 D 4.4178 8.1036 117.7764 56.8023 40.6843 177.4843 95 N 4.7119 7.5485 117.2374 53.1889 38.8572 175.8898 96 R 3.9150 7.6835 116.6964 57.0231 27.3803 179.9352 97 V 3.8041 7.7291 119.3772 63.1581 32.0647 176.1579 98 G 3.7574 8.6338 116.8967 45.1766 0.0000 174.7643 99 V 3.6121 8.5247 124.0911 64.2162 31.5206 176.6479 100 N 4.8045 8.0151 115.0823 52.4290 38.6318 175.0113 101 G 3.8714 7.7007 108.4550 46.0706 0.0000 172.7823 102 L 5.0529 8.2210 122.0458 52.5289 44.1816 176.6017 103 D 4.8775 8.3498 122.1020 51.4672 40.9764 177.1054 104 K 3.8183 8.5878 117.4214 59.4051 32.0603 177.8647 105 A 4.2998 8.2191 119.5672 51.8095 19.0044 177.9639 106 G 3.9140 8.3581 105.1908 46.2808 0.0000 173.8055 107 S 4.4306 8.1790 115.6587 57.1991 63.9657 174.0497 108 T 4.9665 8.1937 114.6822 59.5948 71.8705 175.6565 109 A 4.0574 8.1795 122.6408 55.2256 18.2770 179.5246 110 L 3.8846 7.9380 118.3381 58.4075 42.0917 178.2154 111 Y 3.9137 7.9584 119.4150 60.7966 38.7708 178.5005 112 W 4.3079 7.9323 118.2260 59.3407 29.0792 178.5231 113 A 4.2841 8.3154 121.1363 55.5405 17.9808 179.5420 114 C 4.0837 8.0878 115.2516 63.0965 27.9619 175.6819 115 H 4.1023 8.1549 119.4582 58.6080 29.4194 176.5141 116 G 4.0111 7.9492 104.2677 43.3974 0.0000 173.5558 117 G 3.8817 7.5462 107.7520 47.1454 0.0000 175.4424 118 H 4.7519 8.2749 119.6851 54.0719 27.9717 175.1299 119 K 4.0013 8.3521 127.4033 58.9428 32.1252 177.6450 120 D 4.3738 8.1122 118.5085 56.6431 39.1930 178.4603 121 I 3.8021 7.6021 119.5443 63.8955 37.5661 177.8583 122 V 3.4575 7.5375 119.0319 65.9880 30.4740 178.7145 123 E 3.8750 7.8039 114.4152 57.2703 29.1056 178.7319 *125 L 4.5566 7.9030 121.6739 55.0194 43.5522 178.6165 126 F 4.7907 8.1607 114.9299 59.0598 38.8016 175.9979 127 T 4.3033 7.3810 110.9596 62.3069 69.3235 175.0287 128 Q 4.4217 7.8113 122.1614 53.9439 29.8609 173.8871 129 P 4.2109 0.0000 0.0000 64.2806 32.0246 175.8319 130 N 4.0396 8.8315 120.5992 54.1239 37.3663 174.2682 131 I 3.8043 7.6144 116.3870 61.0279 38.8167 174.2335 132 E 4.2289 9.4667 129.9429 55.7554 29.7063 176.0449 133 L 4.4072 8.5255 126.2139 55.9882 42.5328 177.2158 134 N 4.8798 8.3464 113.9615 52.5940 38.9780 174.4391 135 Q 3.9479 8.0060 120.9909 56.5230 29.4590 175.0095 136 Q 4.6220 8.4332 124.4937 54.1475 30.5185 175.6735 137 N 4.9614 8.5090 120.5991 50.8935 39.1406 175.6976 138 K 4.1509 8.3629 117.0863 59.8046 32.6664 177.7535 139 L 4.0938 7.9077 118.0229 54.6849 41.7858 178.0403 140 G 3.9725 8.6591 108.2773 45.4557 0.0000 173.0381 141 D 4.3136 7.9230 120.7284 53.6191 41.8023 176.4548 142 T 4.9882 8.3992 114.9976 59.4989 72.1870 175.5866 143 A 3.9978 8.5856 122.4581 55.4628 18.1857 179.5975 144 L 3.9560 7.9708 118.1884 58.4334 42.2303 178.6443 145 H 4.1082 8.3139 115.8964 58.9581 28.7170 177.6042 146 A 3.9311 7.8888 121.8833 55.0471 18.0336 179.5930 147 A 3.9479 8.2218 119.1760 55.0620 18.5657 179.7401 148 A 3.9112 8.2314 119.4555 55.0055 18.2616 179.6496 149 W 3.9837 8.0552 125.6563 60.3625 30.8576 177.6796 150 K 3.3210 8.4448 118.7700 59.0779 31.6822 177.7599 151 G 3.7813 8.0396 104.9870 45.4170 0.0000 173.2152 152 Y 4.6571 7.5456 118.0140 56.7873 38.4944 175.9538 153 A 4.1017 8.6771 128.6360 55.0320 18.6175 178.7162 154 D 4.3468 8.0861 117.3950 56.5762 39.5917 178.7873 155 I 3.8130 7.7952 120.9521 63.9481 37.1621 178.0827 156 V 3.6290 7.7817 119.1212 66.2146 31.2592 177.8683 157 Q 3.9859 8.4934 119.4771 59.1088 28.9722 178.2102 158 L 4.1092 8.0757 119.9940 57.8628 41.6360 179.4891 159 L 4.2791 8.2070 118.8189 57.8644 41.7283 179.4627 160 L 3.9744 8.2393 118.8197 58.0182 41.4207 179.6603 161 A 4.0573 8.0782 119.1444 54.6694 18.3614 179.0569 162 K 3.9508 7.6306 116.8100 56.9802 32.2309 177.1948 163 G 3.9912 7.4729 106.6590 45.2980 0.0000 173.8421 164 A 4.2039 8.1075 123.6422 51.9920 18.7728 178.6735 165 R 4.1701 9.2329 123.1363 56.4937 30.6740 176.8450 166 T 4.5388 8.4734 109.9882 61.5454 69.2868 174.0089 167 D 4.8651 8.1219 119.5480 53.1700 39.4534 175.3376 168 L 4.6909 7.7078 120.0516 53.4694 43.4682 175.4660 169 R 4.9178 8.3331 122.0063 54.2994 32.4275 176.0753 170 N 4.8433 8.6031 119.1155 51.0713 39.0593 175.8373 171 I 3.6393 8.1497 118.6353 64.6406 37.0488 177.2226 172 E 4.2457 8.1969 117.1431 56.2300 29.1173 176.9935 173 K 3.9739 8.0959 116.8115 56.8286 30.2750 175.6957 174 K 4.6360 8.2640 119.4143 55.0360 33.2929 176.8260 175 L 4.8993 9.4635 122.9365 53.1288 42.6842 177.8324 176 A 3.7778 8.5091 122.9510 55.5719 18.3194 178.8038 177 F 4.2673 8.5008 116.0936 61.6903 39.3432 178.1248 178 D 4.3894 7.6133 120.5192 53.5328 39.5413 176.3586 *180 A 4.1337 7.9160 120.9887 52.5272 19.4501 177.2954 181 T 4.2026 8.1640 117.0548 62.5670 68.3091 174.1623 182 N 5.0255 7.4749 117.3733 50.6385 41.8901 174.8019 183 A 4.0199 8.4717 121.5630 54.7251 18.2710 179.7569 184 A 3.9265 7.9890 119.2711 55.7006 18.5906 179.5085 185 C 4.1105 8.5661 115.0478 62.7525 28.1617 176.1283 186 A 3.9027 7.8718 122.2885 55.2719 17.7505 179.5420 187 S 4.1177 8.1069 110.4625 61.6897 62.5229 176.0977 188 L 4.1642 7.6101 120.6746 57.3919 41.4652 178.7168 189 L 4.5114 8.0032 118.9838 56.1004 42.1201 178.0963 190 K 4.1201 8.1513 128.6614 56.8057 31.9496 181.8172 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 12 G 8.35 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 0.00 0.00 0.00 13 Q 8.37 4.11 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.83 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 14 V 8.74 3.97 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 0.84 0.00 0.00 1.19 0.00 0.00 15 K 9.31 4.59 0.00 1.40 1.69 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.73 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.27 1.22 7.81 16 V 7.85 4.71 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 0.78 0.00 0.00 1.03 0.00 0.00 17 F 9.07 5.34 0.00 2.97 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 18 R 8.84 4.94 0.00 1.73 1.79 0.00 3.25 0.00 0.00 3.03 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.50 0.00 19 A 9.04 4.37 1.38 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 0.00 0.00 0.00 20 L 8.90 4.10 0.00 0.99 0.92 0.81 0.82 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 21 Y 7.55 5.01 0.00 3.09 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 22 T 8.87 4.16 4.32 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 1.28 0.00 0.00 23 F 9.99 4.64 0.00 1.79 2.43 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 24 E 8.08 5.08 0.00 1.74 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.31 0.00 25 P 0.00 4.38 0.00 2.35 2.43 0.00 3.75 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.06 0.00 26 R 9.18 4.50 0.00 1.85 2.00 0.00 3.16 0.00 0.00 3.11 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.76 0.00 27 T 7.78 4.60 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 28 P 0.00 4.78 0.00 2.03 2.13 0.00 3.66 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 29 D 8.04 4.48 0.00 2.70 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 30 E 9.14 5.35 0.00 2.21 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.28 0.00 31 L 8.58 4.27 0.00 1.58 1.68 1.03 0.98 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 32 Y 8.78 4.71 0.00 2.92 2.98 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 33 I 8.44 4.30 1.80 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.90 0.97 0.00 0.00 34 E 9.13 4.37 0.00 1.90 1.75 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 2.05 1.53 0.00 35 E 8.31 3.87 0.00 1.96 1.89 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 2.33 2.39 0.00 36 G 8.93 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 37 D 7.99 4.44 0.00 2.68 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 38 I 8.05 4.62 1.75 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 -0.30 0.66 0.00 0.00 39 I 8.93 4.81 1.99 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.83 1.02 0.00 0.00 40 Y 9.50 5.12 0.00 2.98 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 41 I 9.10 5.06 2.01 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.15 0.88 0.00 0.00 42 T 8.21 4.69 4.27 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 1.26 0.00 0.00 43 D 7.79 4.70 0.00 2.56 2.48 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 *45 S 8.53 4.55 0.00 4.08 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 46 D 8.11 4.71 0.00 3.16 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 8.68 4.09 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 48 N 8.05 4.45 0.00 2.59 2.24 0.00 0.00 6.75 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 49 W 7.98 5.38 0.00 3.13 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 W 9.38 5.31 0.00 3.23 2.90 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 51 K 8.93 4.73 0.00 1.94 1.77 0.00 1.72 0.00 0.00 1.87 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.58 1.52 7.81 52 G 9.33 4.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 T 9.23 5.45 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 1.35 0.00 0.00 54 S 9.41 4.97 0.00 3.95 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 55 K 9.92 4.04 0.00 1.96 1.90 0.00 1.93 0.00 0.00 1.96 0.00 0.00 2.86 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.40 1.45 7.81 56 G 8.44 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 0.00 0.00 0.00 57 R 7.95 4.64 0.00 2.15 1.91 0.00 3.18 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 58 T 8.00 5.05 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 59 G 8.30 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 0.00 0.00 0.00 0.00 60 L 8.02 5.20 0.00 1.67 1.78 0.77 0.90 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 61 I 8.92 4.76 1.90 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 1.12 0.75 0.62 0.00 0.00 62 P 0.00 3.95 0.00 1.85 1.23 0.00 2.87 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.05 0.00 63 S 7.95 2.80 0.00 2.72 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.54 3.99 0.00 2.49 2.70 0.00 0.00 6.85 7.56 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 65 Y 7.43 3.95 0.00 2.94 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.43 3.11 1.96 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 N 7.61 5.05 0.00 2.59 2.54 0.00 0.00 6.88 8.03 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 76 P 0.00 4.04 0.00 2.11 2.43 0.00 3.67 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 2.05 2.05 0.00 77 L 7.66 3.59 0.00 1.67 1.61 0.82 1.06 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 78 H 8.14 4.15 0.00 3.38 3.38 0.00 5.87 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 E 8.12 3.83 0.00 1.92 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 0.00 2.29 2.46 0.00 80 A 7.42 3.98 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 81 A 8.04 3.90 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 82 K 8.18 4.23 0.00 1.78 1.91 0.00 0.68 0.00 0.00 1.25 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.44 7.81 83 R 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0.00 0.77 0.00 0.00 0.96 0.00 0.00 100 N 8.02 4.80 0.00 2.73 2.87 0.00 0.00 6.84 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 0.00 101 G 7.70 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 0.00 102 L 8.22 5.05 0.00 1.62 1.57 0.91 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 103 D 8.35 4.88 0.00 2.85 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 K 8.59 3.82 0.00 1.75 1.91 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.42 1.37 7.81 105 A 8.22 4.30 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 G 8.36 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 0.00 107 S 8.18 4.43 0.00 4.20 3.36 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 0.00 108 T 8.19 4.97 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 1.23 0.00 0.00 109 A 8.18 4.06 1.24 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 0.00 0.00 0.00 110 L 7.94 3.88 0.00 1.83 1.74 0.93 1.03 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 0.00 111 Y 7.96 3.91 0.00 2.95 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.93 4.31 0.00 3.57 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 A 8.32 4.28 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 0.00 114 C 8.09 4.08 0.00 2.98 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 0.00 115 H 8.15 4.10 0.00 2.57 3.52 0.00 5.74 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 G 7.95 4.01 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 126 F 8.16 4.79 0.00 3.10 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 0.00 127 T 7.38 4.30 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 1.32 0.00 0.00 128 Q 7.81 4.42 0.00 2.27 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.84 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00 129 P 0.00 4.21 0.00 2.17 2.06 0.00 3.92 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 130 N 8.83 4.04 0.00 2.79 2.84 0.00 0.00 7.07 7.94 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 0.00 131 I 7.61 3.80 1.94 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.00 0.88 0.00 0.00 132 E 9.47 4.23 0.00 1.91 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 2.31 2.33 0.00 133 L 8.53 4.41 0.00 1.67 1.73 0.81 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 134 N 8.35 4.88 0.00 2.84 2.81 0.00 0.00 6.93 7.24 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 0.00 135 Q 8.01 3.95 0.00 2.12 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.90 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 136 Q 8.43 4.62 0.00 2.02 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.76 0.00 0.00 0.00 0.00 0.00 2.26 2.46 0.00 137 N 8.51 4.96 0.00 2.90 2.65 0.00 0.00 6.60 6.48 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 0.00 138 K 8.36 4.15 0.00 1.81 1.93 0.00 1.56 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.35 7.81 139 L 7.91 4.09 0.00 1.74 1.63 0.85 0.90 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 0.00 140 G 8.66 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 D 7.92 4.31 0.00 2.69 2.65 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 0.00 142 T 8.40 4.99 4.32 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 1.27 0.00 0.00 143 A 8.59 4.00 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 0.00 144 L 7.97 3.96 0.00 1.81 1.71 0.96 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 145 H 8.31 4.11 0.00 3.58 3.38 0.00 5.87 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 A 7.89 3.93 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 0.00 147 A 8.22 3.95 1.38 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 0.00 0.00 0.00 148 A 8.23 3.91 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 0.00 149 W 8.06 3.98 0.00 3.25 3.41 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 0.00 150 K 8.44 3.32 0.00 1.81 1.86 0.00 1.14 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.01 0.55 7.81 151 G 8.04 3.78 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 0.00 0.00 0.00 152 Y 7.55 4.66 0.00 2.94 2.98 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 0.00 153 A 8.68 4.10 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 0.00 154 D 8.09 4.35 0.00 2.89 2.93 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 0.00 155 I 7.80 3.81 1.96 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 1.55 0.87 0.92 0.00 0.00 156 V 7.78 3.63 2.27 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 1.11 0.00 0.00 1.00 0.00 0.00 157 Q 8.49 3.99 0.00 2.30 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 158 L 8.08 4.11 0.00 2.03 1.96 0.89 0.62 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 0.00 159 L 8.21 4.28 0.00 1.97 1.82 1.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 160 L 8.24 3.97 0.00 1.86 1.75 0.96 1.27 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 0.00 161 A 8.08 4.06 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 0.00 162 K 7.63 3.95 0.00 1.40 1.58 0.00 1.31 0.00 0.00 1.03 0.00 0.00 2.54 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.30 0.93 7.81 163 G 7.47 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 0.00 164 A 8.11 4.20 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 0.00 165 R 9.23 4.17 0.00 1.87 2.08 0.00 3.11 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.56 0.00 166 T 8.47 4.54 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 1.24 0.00 0.00 167 D 8.12 4.87 0.00 2.78 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 0.00 168 L 7.71 4.69 0.00 1.78 1.64 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 169 R 8.33 4.92 0.00 1.79 1.85 0.00 3.22 0.00 0.00 3.46 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 170 N 8.60 4.84 0.00 3.06 2.91 0.00 0.00 6.87 8.53 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 0.00 171 I 8.15 3.64 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 1.27 0.49 0.89 0.00 0.00 172 E 8.20 4.25 0.00 2.10 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 173 K 8.10 3.97 0.00 1.94 1.98 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.40 7.81 174 K 8.26 4.64 0.00 2.00 1.78 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.60 7.81 175 L 9.46 4.90 0.00 1.79 1.66 0.96 0.75 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 0.00 176 A 8.51 3.78 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 0.00 177 F 8.50 4.27 0.00 2.99 3.14 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 0.00 0.00 0.00 0.00 178 D 7.61 4.39 0.00 2.87 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 *180 A 7.92 4.13 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 0.00 181 T 8.16 4.20 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 182 N 7.47 5.03 0.00 2.92 2.79 0.00 0.00 6.16 7.96 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 0.00 183 A 8.47 4.02 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 0.00 184 A 7.99 3.93 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 0.00 185 C 8.57 4.11 0.00 2.94 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 A 7.87 3.90 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 S 8.11 4.12 0.00 3.96 4.09 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 0.00 188 L 7.61 4.16 0.00 1.82 1.76 0.95 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 189 L 8.00 4.51 0.00 1.96 1.95 0.93 0.94 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 0.00 190 K 8.15 4.12 0.00 1.86 1.57 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.36 1.31 7.81 * Residues marked with a * may have inaccurate shift predictions.