NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.4322 8.2544 119.7297 56.0206 31.7382 174.4535 3 Y 3.4243 8.0051 123.9778 56.8948 40.1546 172.6088 4 I 4.4449 8.7929 128.3194 59.6986 39.8302 174.3469 5 V 4.3665 8.5365 128.5227 61.0005 33.0764 174.5018 6 A 4.8903 9.1766 131.1643 51.1815 20.3944 175.4760 7 L 5.1398 9.0498 124.4144 53.7501 45.2503 175.1847 8 T 4.6771 7.8956 118.8484 60.8246 71.5684 172.0085 9 G 4.2993 8.0518 112.1334 45.9196 0.0000 172.9809 10 G 3.9490 7.8199 109.9708 44.2446 0.0000 172.6507 11 I 3.7914 8.2488 120.2980 62.2937 38.0169 176.0305 12 G 3.9371 8.9817 115.4411 46.0169 0.0000 174.0951 13 S 4.2626 7.8259 113.5439 58.4930 63.6561 174.2455 14 G 3.7953 8.0759 109.3869 46.7787 0.0000 176.0082 15 K 3.9235 8.3812 120.7221 59.2568 32.1509 178.4590 16 S 4.1413 8.1275 113.8241 62.0768 62.5124 176.5997 17 T 3.8707 7.8257 117.7385 66.1673 68.3848 176.3876 18 V 3.8143 7.8094 119.7552 65.7835 31.5781 177.8455 19 A 4.2030 8.3700 120.8234 55.5347 18.1628 179.3088 20 N 4.3020 8.5110 114.7294 56.5037 38.3533 177.4839 21 A 3.9363 7.5777 121.4719 55.1203 18.7063 179.3465 22 F 4.2027 8.3026 115.6221 60.1938 39.1803 177.7514 23 A 4.5144 8.1922 122.0902 54.8807 18.0167 179.3896 24 D 4.4195 8.2934 116.0112 56.5540 40.8988 177.8382 25 L 4.4294 7.5138 118.0997 54.4392 41.8454 177.2802 26 G 3.9777 8.1313 107.6461 45.1603 0.0000 173.6675 27 I 4.1276 7.4014 120.4886 59.8410 38.7472 174.5611 28 N 4.7193 8.4131 122.0019 53.0635 39.8003 174.1171 29 V 4.7290 8.3792 122.9650 61.3250 33.7344 174.9316 30 I 4.3772 8.7418 129.5472 59.6852 38.8088 174.0776 31 D 4.7909 8.5441 127.2680 53.0796 42.3545 177.1995 32 A 4.1756 9.2341 129.1837 55.3722 18.2353 179.5978 33 D 4.3026 8.2747 117.0352 57.4387 41.0228 178.7117 34 I 3.7006 7.4942 119.4495 64.6274 36.9371 178.5280 35 I 3.7309 7.7222 119.8266 64.2962 36.7406 178.0781 36 A 4.2265 7.8073 119.5904 53.7671 18.0501 178.0300 37 R 4.5939 7.5656 114.5926 55.7823 31.9852 177.2829 38 Q 3.9555 8.0729 119.7245 58.3731 29.0099 178.1439 39 V 3.9117 7.4324 109.1143 62.7748 31.5491 176.8647 40 V 4.3843 7.1081 111.3636 60.4630 32.9228 175.5613 41 E 4.0585 7.8263 120.6076 55.7228 29.9837 174.9253 42 P 4.4042 0.0000 0.0000 64.2467 31.6131 177.2411 43 G 3.9238 8.9959 111.7577 44.9437 0.0000 173.4105 44 A 4.1673 8.1726 124.2246 50.9903 19.2231 176.1077 45 P 4.1723 0.0000 0.0000 66.5796 30.9269 178.5476 46 A 3.9405 8.1289 120.7095 54.4714 18.0180 179.1957 47 L 3.9078 7.9583 118.8277 58.5219 42.0472 178.7059 48 H 4.3099 8.5784 118.2198 59.0772 29.7047 176.9633 49 A 4.1377 8.0416 122.2142 56.1363 18.1382 178.5618 50 I 3.9625 8.3874 118.5295 63.2463 36.8392 177.7820 51 A 3.9354 8.2726 123.8995 55.6061 18.3219 179.6269 52 D 4.3487 7.7984 116.3547 57.5368 41.3006 177.8960 53 H 4.3730 8.0790 116.5068 57.3415 30.0909 175.4996 54 F 4.3278 9.2247 117.4094 56.4981 40.3751 176.0905 55 G 3.8715 8.1902 110.0144 45.6798 0.0000 174.6443 56 A 4.1244 8.6216 126.8727 53.9971 18.0469 177.6276 57 N 4.4525 7.3939 113.5289 54.3762 38.2335 176.4720 *79 E 4.3273 7.6322 118.2743 54.6370 32.3472 175.9415 80 E 4.7574 7.8380 117.7348 53.9633 29.5905 175.9006 81 K 4.7997 7.8845 117.8243 56.7845 33.3708 177.2467 82 N 4.9965 7.9554 116.7970 53.1703 37.6919 175.7365 83 W 4.7338 8.1335 127.3953 59.0595 33.6300 175.7687 84 L 4.0145 8.5411 120.3666 57.9519 41.9287 178.2899 85 N 4.8763 7.8778 114.0745 52.5350 38.3640 175.6468 86 A 4.4081 7.4103 116.7631 52.6990 23.7324 177.0525 87 L 3.9750 7.8770 117.9927 56.7235 43.5744 178.2576 88 L 4.0322 7.6556 117.5316 57.9750 41.8150 178.6503 89 H 3.9140 8.2441 118.1225 59.0516 29.5827 174.9027 90 P 4.3841 0.0000 0.0000 64.9789 31.1644 178.1277 91 L 4.0275 8.1624 119.8779 57.4451 41.7210 178.8550 92 I 3.6444 7.6190 119.2585 64.4651 37.2081 177.9187 93 Q 3.8776 7.9234 120.2117 59.3945 28.7275 178.3452 94 Q 3.9423 7.6865 120.4986 58.9601 29.0587 177.6688 95 E 3.9009 8.4767 120.7982 59.2809 29.6569 178.6278 96 T 3.8019 8.2043 116.4726 66.6373 68.4677 176.1118 97 Q 4.0665 7.8489 117.0761 57.8836 28.4930 176.9775 98 H 4.2570 7.6053 120.5558 58.5857 29.7327 176.6364 99 Q 4.0241 7.9909 119.6420 58.2708 28.4594 178.2678 100 I 3.7491 7.6113 120.3146 63.9726 37.1273 177.8721 101 Q 4.1466 7.2729 117.7986 58.1096 28.7873 177.4761 102 Q 4.1574 7.4324 116.8337 55.6486 29.4783 176.0979 103 A 4.2463 7.0894 123.3143 52.2301 18.9329 177.5203 104 T 4.4050 8.3217 111.1609 61.4498 69.8822 175.4283 105 S 4.4016 7.8825 116.7639 57.2052 63.8127 172.2804 106 P 4.4735 0.0000 0.0000 65.4901 31.1381 175.8018 107 Y 5.3884 7.4073 113.7114 55.3433 42.0713 174.4852 108 V 4.3216 8.7462 112.6516 59.4628 35.5915 174.9437 109 L 4.8223 8.4045 126.0952 53.4867 43.4394 175.2472 110 W 5.1817 9.0470 135.0000 56.2291 32.0365 175.2967 111 V 4.2064 8.7187 129.4082 62.0294 32.3888 175.0298 112 V 4.2745 8.5334 129.0098 60.0713 32.5533 174.1100 113 P 4.2394 0.0000 0.0000 64.5979 31.6694 177.6149 114 L 4.9163 7.4777 115.7184 53.5076 42.5468 177.6308 115 L 3.6727 7.7730 123.5846 58.4526 42.3258 179.7638 116 V 3.8385 7.9515 117.3426 66.2103 32.0132 177.3824 117 E 3.9538 8.4566 118.9370 59.5881 29.2582 178.4507 118 N 4.7349 8.5162 112.5200 52.5019 38.8453 175.2097 119 S 3.1730 8.1153 113.7599 59.2822 61.1313 173.9704 120 L 4.1336 7.4838 120.5699 56.7043 41.4596 178.4650 121 Y 4.3796 7.1246 116.6047 58.3271 38.1025 177.3977 122 K 4.1682 7.2270 119.8669 58.0850 32.3526 177.6318 123 K 4.4168 8.0537 116.8855 55.7589 32.4615 175.6379 124 A 4.8316 7.4597 121.9905 50.4826 21.2806 176.7585 125 N 4.5198 8.1661 117.2490 54.8492 39.5817 175.7954 126 R 4.7485 7.3227 117.7006 54.7773 34.0703 173.6633 127 V 4.7188 8.9238 125.1554 60.9863 34.6076 173.6435 128 L 5.1631 9.1070 130.5907 53.3330 44.4424 174.8239 129 V 4.8435 8.7428 126.9624 61.0823 33.8831 174.7329 130 V 4.5443 8.4947 128.7315 60.8558 31.8054 174.9121 131 D 4.9408 8.8079 126.2140 53.3106 43.2424 175.4221 132 V 5.0283 7.9272 115.8674 60.1180 36.3289 174.1480 133 S 4.4581 8.3441 116.3192 57.2915 64.0013 173.7635 134 P 4.6667 0.0000 0.0000 65.0359 30.8963 178.4140 135 E 3.9114 8.2255 117.8016 59.9038 29.4691 179.0459 136 T 3.8723 8.0160 115.5301 66.7173 68.6205 176.7270 137 Q 4.0200 8.1553 120.0044 58.7142 28.4155 179.0459 138 L 4.0684 7.8074 119.3986 57.7543 41.9107 178.8868 139 K 3.9789 7.9689 117.0451 59.9918 32.2700 179.0692 140 R 4.1263 8.2046 117.6827 59.3815 29.8164 179.9810 141 T 4.2601 7.4782 115.3840 63.5384 67.9788 176.6290 *143 Q 4.1931 8.2631 122.8143 56.3122 30.6183 176.5446 144 R 4.1799 8.1118 115.0756 58.1191 30.0309 176.3459 145 D 4.6246 7.6685 113.1772 53.6854 43.8495 174.9347 146 D 4.3010 7.6094 117.4976 55.4982 39.6858 172.3995 147 V 4.5092 6.9960 111.6074 59.2689 36.3134 176.0190 148 T 4.1182 8.0647 115.3467 61.6607 68.2147 175.1636 149 R 3.8785 8.7854 125.9412 59.7730 30.0152 178.5806 150 E 4.1760 8.2379 117.8887 59.0684 28.7648 178.4463 151 H 4.1411 8.1636 119.4141 59.0452 29.8261 177.4100 152 V 3.6356 7.6291 119.6683 65.8415 31.0704 177.6401 153 E 3.9573 8.4502 118.6676 59.4957 29.0530 179.0696 154 Q 4.0178 8.0503 118.7600 59.1952 29.3370 178.3192 155 I 3.8460 7.3242 120.1622 64.3621 37.0019 178.3783 156 L 4.2177 8.1076 118.5852 57.3755 41.4789 178.7353 157 A 4.2198 7.7951 118.2711 53.2022 18.6889 178.3976 158 A 4.3552 8.0073 119.0162 53.1399 19.9960 177.7634 159 Q 4.1941 7.4911 114.1395 54.7722 29.8631 175.5602 160 A 4.1657 8.2637 122.5092 52.3437 19.0395 178.3369 161 T 4.2592 8.1048 110.6572 60.9377 71.2606 175.8907 162 R 3.8453 8.4088 121.2174 59.8130 30.0091 178.4565 163 E 3.9262 8.1612 117.5652 59.2379 29.2724 178.9036 164 A 3.9545 7.6318 119.4882 55.1945 18.7395 179.6631 165 R 3.9416 7.8972 116.3350 59.5442 30.3515 179.2756 166 L 3.9692 8.0713 118.4529 57.7930 41.3341 179.4880 167 A 4.0715 8.1154 120.0390 54.0189 18.3180 178.3676 168 V 3.9296 7.2258 107.9600 60.7579 32.4808 175.6707 169 A 4.2401 7.4689 123.9959 52.0419 19.0031 177.4063 170 D 4.7121 8.9975 123.2001 56.0254 42.0299 176.8372 171 D 5.0898 8.0130 116.0104 52.4166 45.6092 175.1329 172 V 4.8162 8.3345 119.8035 61.3260 34.6309 174.0979 173 I 4.4719 8.7971 128.8491 58.9435 40.2485 173.8743 174 D 4.9134 8.7998 129.9932 53.9855 41.7283 175.1103 175 N 5.1428 9.0633 126.6231 52.9850 39.9224 173.6690 176 N 4.8419 8.3927 111.9813 52.3182 37.8394 174.2568 177 G 4.1935 7.6187 107.4401 43.9104 0.0000 172.6187 178 A 4.0413 8.4282 121.1415 51.9336 19.1047 176.8515 179 P 4.8844 0.0000 0.0000 62.1936 30.2315 176.1253 180 D 4.6307 7.6005 115.5017 56.1402 46.5424 177.4754 181 A 4.3546 7.8784 118.8312 52.9499 18.5284 178.7853 182 I 3.9330 7.7615 119.3195 64.1681 37.2571 177.9902 183 A 3.8669 7.9302 121.3828 55.5647 18.1057 179.5616 184 S 4.0580 8.0762 110.6886 61.1681 62.3509 175.6908 185 D 4.3596 8.3691 121.8849 56.5437 40.9113 178.8025 186 V 3.3016 7.5853 118.0303 65.9341 31.4378 177.7728 187 A 3.8887 7.8912 120.4133 55.0173 18.0348 179.6605 188 R 3.7748 7.4329 116.7375 59.4977 30.1872 178.8060 189 L 3.5646 8.1106 119.1566 57.8948 41.6192 178.8243 190 H 4.5500 9.1595 119.7055 58.7209 29.8792 177.0890 191 A 3.9279 7.7955 122.0892 55.4597 18.1564 179.1365 192 H 4.1825 7.8869 116.5925 59.6301 29.8706 177.1032 193 Y 4.0457 8.2807 118.9103 60.9311 37.4511 178.5621 194 L 4.0549 7.9944 120.0295 57.6356 41.4817 179.2114 195 Q 3.9266 7.5745 118.0411 59.1812 29.3248 178.1505 196 L 3.9373 7.9478 119.7539 57.7824 41.4316 179.1585 197 A 3.6151 7.6607 119.6606 55.2130 18.3798 179.2545 198 S 4.4283 8.1520 110.0496 59.7157 63.8260 174.6255 199 Q 4.5979 8.2007 119.5948 55.8102 30.1879 177.5419 200 F 4.3998 8.5754 113.4488 59.8084 38.0925 176.7225 201 V 3.1547 7.0184 119.9536 64.7908 31.3689 176.4914 202 S 4.5805 7.2910 112.9025 57.9781 63.2386 173.7545 203 Q 4.1977 8.0555 122.5413 55.0835 28.4699 175.0517 204 E 4.1084 8.8689 127.6189 58.2690 30.0293 177.0809 205 K 4.7005 7.6105 115.8175 53.3171 35.7049 174.1145 206 P 4.2242 0.0000 0.0000 64.0658 31.9015 176.3398 207 E 4.1642 8.8357 120.1319 57.0711 29.4453 174.3996 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 2 R 8.25 4.43 0.00 1.80 1.96 0.00 3.27 0.00 0.00 3.32 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.74 0.00 3 Y 8.01 3.42 0.00 2.49 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 4 I 8.79 4.44 1.63 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 0.91 0.83 0.83 0.00 0.00 5 V 8.54 4.37 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 0.48 0.00 0.00 0.14 0.00 0.00 6 A 9.18 4.89 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 7 L 9.05 5.14 0.00 1.64 1.55 0.98 -0.02 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 8 T 7.90 4.68 4.16 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 1.17 0.00 0.00 9 G 8.05 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 10 G 7.82 3.95 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 0.00 0.00 0.00 11 I 8.25 3.79 2.05 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 1.22 1.12 0.90 0.00 0.00 12 G 8.98 3.94 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 0.00 0.00 0.00 13 S 7.83 4.26 0.00 4.12 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 14 G 8.08 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 15 K 8.38 3.92 0.00 1.81 1.89 0.00 1.66 0.00 0.00 2.01 0.00 0.00 3.15 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.51 7.81 16 S 8.13 4.14 0.00 4.06 4.15 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 17 T 7.83 3.87 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 1.22 0.00 0.00 18 V 7.81 3.81 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 1.31 0.00 0.00 1.01 0.00 0.00 19 A 8.37 4.20 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 20 N 8.51 4.30 0.00 2.92 2.91 0.00 0.00 6.95 7.08 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 21 A 7.58 3.94 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 22 F 8.30 4.20 0.00 3.32 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 23 A 8.19 4.51 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 24 D 8.29 4.42 0.00 2.62 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 25 L 7.51 4.43 0.00 1.71 1.43 0.62 0.94 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 26 G 8.13 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 27 I 7.40 4.13 2.03 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.20 0.82 0.74 0.00 0.00 28 N 8.41 4.72 0.00 2.72 2.71 0.00 0.00 6.34 7.16 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 29 V 8.38 4.73 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 0.85 0.00 0.00 0.98 0.00 0.00 30 I 8.74 4.38 2.05 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 1.14 0.74 0.93 0.00 0.00 31 D 8.54 4.79 0.00 2.78 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 32 A 9.23 4.18 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 33 D 8.27 4.30 0.00 2.86 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 34 I 7.49 3.70 2.04 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 1.82 1.10 0.93 0.00 0.00 35 I 7.72 3.73 1.94 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.62 0.97 0.00 0.00 36 A 7.81 4.23 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 37 R 7.57 4.59 0.00 1.99 1.88 0.00 3.12 0.00 0.00 3.17 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.73 0.00 38 Q 8.07 3.96 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.88 0.00 0.00 0.00 0.00 0.00 2.36 2.67 0.00 39 V 7.43 3.91 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 0.64 0.00 0.00 0.96 0.00 0.00 40 V 7.11 4.38 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 0.69 0.00 0.00 1.00 0.00 0.00 41 E 7.83 4.06 0.00 2.06 1.90 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 2.34 2.47 0.00 42 P 0.00 4.40 0.00 2.04 2.00 0.00 3.65 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 2.03 2.09 0.00 43 G 9.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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3.98 0.00 1.94 1.89 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.68 7.81 140 R 8.20 4.13 0.00 1.86 1.98 0.00 3.30 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 141 T 7.48 4.26 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 1.23 0.00 0.00 *143 Q 8.26 4.19 0.00 2.11 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.97 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 144 R 8.11 4.18 0.00 1.88 1.94 0.00 3.26 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 145 D 7.67 4.62 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 0.00 146 D 7.61 4.30 0.00 2.66 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 0.00 147 V 7.00 4.51 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 0.75 0.00 0.00 1.01 0.00 0.00 148 T 8.06 4.12 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 1.26 0.00 0.00 149 R 8.79 3.88 0.00 1.92 1.93 0.00 3.25 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 150 E 8.24 4.18 0.00 2.24 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 0.00 2.38 2.27 0.00 151 H 8.16 4.14 0.00 3.29 3.53 0.00 5.77 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 V 7.63 3.64 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 1.13 0.00 0.00 1.00 0.00 0.00 153 E 8.45 3.96 0.00 2.17 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 0.00 2.33 2.50 0.00 154 Q 8.05 4.02 0.00 2.15 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.97 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 155 I 7.32 3.85 1.99 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.56 0.89 0.00 0.00 156 L 8.11 4.22 0.00 1.71 1.73 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 157 A 7.80 4.22 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 0.00 158 A 8.01 4.36 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 0.00 159 Q 7.49 4.19 0.00 2.05 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.96 0.00 0.00 0.00 0.00 0.00 2.35 2.54 0.00 160 A 8.26 4.17 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 0.00 161 T 8.10 4.26 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 0.00 162 R 8.41 3.85 0.00 1.89 1.96 0.00 3.18 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.86 0.00 163 E 8.16 3.93 0.00 2.08 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 2.39 2.43 0.00 164 A 7.63 3.95 1.35 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 0.00 165 R 7.90 3.94 0.00 2.05 1.95 0.00 3.12 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 166 L 8.07 3.97 0.00 1.82 1.70 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 167 A 8.12 4.07 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 0.00 168 V 7.23 3.93 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 -0.16 0.00 0.00 0.74 0.00 0.00 169 A 7.47 4.24 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 0.00 170 D 9.00 4.71 0.00 2.73 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 D 8.01 5.09 0.00 2.70 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 0.00 172 V 8.33 4.82 2.10 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 0.79 0.00 0.00 0.94 0.00 0.00 173 I 8.80 4.47 1.96 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.50 1.05 0.00 0.00 174 D 8.80 4.91 0.00 2.74 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 0.00 175 N 9.06 5.14 0.00 2.70 2.72 0.00 0.00 7.24 7.72 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 0.00 176 N 8.39 4.84 0.00 2.89 2.88 0.00 0.00 6.52 6.89 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 0.00 177 G 7.62 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 0.00 0.00 0.00 0.00 178 A 8.43 4.04 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 0.00 179 P 0.00 4.88 0.00 2.19 2.13 0.00 3.75 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 1.98 1.98 0.00 180 D 7.60 4.63 0.00 2.66 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 0.00 181 A 7.88 4.35 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 0.00 182 I 7.76 3.93 1.85 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 1.45 0.98 0.89 0.00 0.00 183 A 7.93 3.87 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 0.00 184 S 8.08 4.06 0.00 3.88 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 0.00 185 D 8.37 4.36 0.00 2.80 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 0.00 186 V 7.59 3.30 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 -0.06 0.00 0.00 0.68 0.00 0.00 187 A 7.89 3.89 1.29 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 0.00 0.00 188 R 7.43 3.77 0.00 2.08 2.03 0.00 3.07 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 189 L 8.11 3.56 0.00 1.90 1.15 1.11 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 190 H 9.16 4.55 0.00 3.38 3.43 0.00 5.83 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 0.00 191 A 7.80 3.93 1.35 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 0.00 192 H 7.89 4.18 0.00 3.04 3.21 0.00 5.61 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 193 Y 8.28 4.05 0.00 2.45 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 0.00 194 L 7.99 4.05 0.00 1.88 1.76 0.86 1.06 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 0.00 195 Q 7.57 3.93 0.00 2.31 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.95 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 196 L 7.95 3.94 0.00 1.24 1.05 0.84 0.97 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 0.00 197 A 7.66 3.62 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 0.00 198 S 8.15 4.43 0.00 4.06 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 0.00 199 Q 8.20 4.60 0.00 2.23 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.83 0.00 0.00 0.00 0.00 0.00 2.59 2.29 0.00 200 F 8.58 4.40 0.00 3.35 3.37 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 0.00 201 V 7.02 3.15 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 0.61 0.00 0.00 0.01 0.00 0.00 202 S 7.29 4.58 0.00 3.88 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 Q 8.06 4.20 0.00 2.26 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.08 0.00 0.00 0.00 0.00 0.00 2.49 2.36 0.00 204 E 8.87 4.11 0.00 1.95 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 2.40 0.00 205 K 7.61 4.70 0.00 1.74 1.66 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.43 7.81 206 P 0.00 4.22 0.00 2.06 2.03 0.00 3.84 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.15 0.00 207 E 8.84 4.16 0.00 2.15 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 2.26 2.32 0.00 * Residues marked with a * may have inaccurate shift predictions.