NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 30 N 4.7000 8.4244 119.2029 53.9608 39.9836 173.6911 31 S 4.3644 8.3428 114.6375 55.8726 67.2872 170.4949 32 E 4.6918 8.2723 121.3309 57.3156 27.3938 177.1880 33 F 4.4982 8.9354 121.7349 60.2385 40.0309 177.6465 34 M 3.9090 8.0434 119.2267 57.2870 31.7957 177.2191 35 R 4.3281 7.5500 117.5869 56.7147 30.0129 176.1068 36 N 4.9621 8.1427 114.0996 53.8302 40.7773 174.6100 37 F 5.1709 7.4742 119.2936 58.0155 39.4893 175.9754 38 Q 4.5669 7.8636 114.8111 56.2160 32.4814 172.6196 39 K 4.3615 7.3708 123.3252 56.3223 38.3640 176.9071 40 G 3.7382 8.6084 108.1535 47.1427 0.0000 171.7029 41 Q 4.2647 9.1567 120.4238 56.2615 28.6102 175.3172 42 V 3.8052 7.7184 109.7518 62.6551 32.6924 177.8061 43 S 3.8734 8.6350 113.5511 58.5413 61.3181 170.6564 44 R 4.7261 8.7588 115.9427 57.4386 33.5844 176.2618 45 E 4.1063 8.3930 117.8486 59.2463 29.7561 178.8105 46 G 3.7983 8.1009 105.3462 47.4692 0.0000 175.2291 47 F 4.0194 8.1718 122.4302 60.0272 39.3422 176.7807 48 K 3.3136 7.4094 116.4310 57.7465 32.8205 177.9678 49 L 4.3054 7.1552 120.9619 57.2231 42.5165 178.3650 50 V 3.3017 7.2019 117.6167 66.3428 31.3226 178.1080 51 M 3.5594 6.9546 117.9162 57.5572 31.3746 177.9001 52 A 4.4821 7.0958 117.9163 53.1785 18.6302 177.7318 53 S 4.2914 7.7377 113.1743 59.4970 65.6137 176.2949 54 L 3.8581 7.8241 119.6822 58.0855 41.0770 178.6091 55 Y 4.3136 7.6640 117.8268 61.2639 38.7177 177.9888 56 H 3.7201 8.5136 116.1012 58.8718 28.6221 177.5007 57 I 3.4105 7.5829 121.2637 64.7875 36.8726 178.1695 58 Y 3.8005 9.0117 118.0565 61.3192 37.7685 178.8131 59 T 3.8230 8.3568 116.9083 66.1118 68.1719 176.6660 60 A 3.9543 7.9937 122.5336 54.6967 18.4239 178.7999 61 L 3.9589 8.6960 119.7827 58.7247 42.0909 179.2508 62 E 4.3768 8.8460 118.5526 59.0314 29.0939 178.2755 63 E 4.5369 7.7125 117.4132 56.5360 30.4152 177.0843 64 E 4.6318 8.6806 116.7654 55.8182 32.7927 177.8040 65 I 3.8791 7.1312 119.0343 63.2202 37.5630 176.9802 66 E 4.2160 8.0953 118.7618 58.4691 30.0144 178.0188 67 R 4.0586 8.0936 118.1367 58.9056 30.4626 177.7610 68 N 4.9991 7.6403 114.1123 52.6357 38.8700 175.7961 69 K 4.1458 7.8498 116.8159 57.9625 33.7421 177.6862 70 Q 4.0994 7.8474 118.3379 58.0214 29.6712 176.1694 71 N 4.3345 7.9738 116.7404 53.1139 39.4718 173.4794 72 P 4.4823 0.0000 0.0000 64.5480 31.5381 177.5090 73 V 4.0416 8.0993 111.8562 60.6820 31.4349 176.7306 74 Y 5.1242 8.0855 134.7179 58.9155 40.8687 174.7734 75 A 4.0203 7.4488 123.1571 54.8340 18.5010 177.8468 76 P 4.1355 0.0000 0.0000 64.9263 31.4108 176.9614 77 L 4.1056 7.4239 117.4166 54.3023 41.6508 175.7767 78 Y 4.7116 7.0459 121.0615 56.6463 38.5036 175.4498 79 F 4.8338 8.0623 126.8200 55.0325 40.2928 173.6850 80 P 3.3739 0.0000 0.0000 65.2127 31.7692 178.7787 81 E 4.3535 7.8790 115.5335 56.6232 29.3128 176.7846 82 E 4.8035 7.8820 114.7441 55.9901 33.9851 175.8334 83 L 4.9350 8.6353 117.0152 54.9608 44.1399 176.7105 84 H 4.6037 8.4473 116.1759 56.1707 28.7998 175.1400 85 R 4.3101 8.9757 122.0144 55.9224 30.5008 177.8901 86 R 4.1179 8.3021 121.3016 58.7739 30.8886 178.5167 87 A 3.9513 8.2213 120.4160 54.8347 18.2622 178.6133 88 A 4.3425 7.8231 116.8640 53.2626 19.7813 178.7787 89 L 4.2024 7.5109 115.6276 56.6722 42.1397 179.0222 90 E 3.2386 8.3528 119.0840 59.2010 28.4742 179.0735 91 Q 3.8296 7.4770 118.5538 59.1376 29.1689 177.9948 92 D 4.6354 7.6483 119.4825 57.5990 40.9645 178.6455 93 M 4.1607 7.6904 119.0087 57.9988 31.4272 177.9487 94 A 4.5129 6.9501 119.9545 53.2735 18.3777 178.1104 95 F 4.4503 7.4356 119.7567 59.5454 39.5404 176.9154 96 W 4.0313 8.8455 123.4458 59.1264 29.3113 177.1568 97 Y 4.7805 7.9365 114.0396 56.6427 39.8470 174.6948 98 G 3.8491 7.7376 103.5808 43.4537 0.0000 172.6494 99 P 4.3646 0.0000 0.0000 64.9939 31.7758 176.7110 100 H 5.0543 7.8045 114.0653 54.3726 28.8327 173.9195 101 W 4.4798 8.0962 117.5779 58.7482 29.0891 179.0294 102 Q 2.5200 5.8291 116.2986 57.8458 28.4183 178.0532 103 E 4.4209 7.2968 121.8599 53.9637 29.4930 175.2421 104 A 4.6185 7.6889 121.0215 51.9771 24.4310 176.7612 105 I 3.3821 6.7072 110.5617 58.3527 38.8009 174.2027 106 P 4.3204 0.0000 0.0000 63.2816 31.9667 176.2243 107 Y 4.7899 8.2569 124.3108 56.2897 38.9545 175.0485 108 T 3.8896 7.5126 110.4027 61.0224 70.1770 173.2500 109 P 4.1461 0.0000 0.0000 64.9672 31.6471 178.3063 110 A 3.9381 7.7858 119.5178 54.0375 19.0131 179.5736 111 T 3.9432 7.6660 113.1976 66.2598 68.8778 177.2176 112 Q 4.2151 6.7822 114.7966 57.4406 28.3484 176.7054 113 H 4.8139 7.8964 117.1674 57.0454 32.5028 174.7812 114 Y 4.1231 7.9770 119.7022 60.6249 38.7689 177.6574 115 V 3.7103 8.8600 119.8357 65.0043 31.6028 177.9718 116 K 4.0944 7.7300 119.1095 59.8366 32.0181 178.1662 117 R 3.8870 7.8829 119.0239 59.5098 29.7968 178.1924 118 L 3.7565 7.9898 118.5133 57.7077 42.0181 178.1817 119 H 4.6300 7.7335 113.8103 57.0914 29.7669 177.2583 120 E 4.0477 8.1172 119.1845 58.8208 29.1973 178.2478 121 V 4.1473 8.2293 117.0906 63.1623 31.5687 176.7036 122 G 4.6651 7.2538 105.2949 44.8000 0.0000 173.9799 123 G 4.0182 8.1578 107.2872 46.3021 0.0000 174.1590 124 T 4.5698 7.8052 111.6700 63.0271 71.0392 173.3614 125 H 5.5779 7.9355 118.0860 52.9741 29.8666 173.1341 126 P 4.4722 0.0000 0.0000 65.1105 31.7594 178.5827 127 E 4.2625 8.2243 116.3998 58.4977 29.9055 177.7171 128 L 4.6420 7.9148 118.3794 54.7954 41.9279 177.7570 129 L 4.2484 7.9013 123.3411 57.8075 41.9177 178.9034 130 V 4.1280 8.3689 118.6030 65.1614 30.9967 178.0745 131 A 4.1520 8.2201 120.9434 55.3648 18.2045 178.9600 132 H 4.3814 8.8621 114.9224 58.3548 28.7796 177.9470 133 A 4.5536 8.2886 122.4554 55.5346 18.7438 178.3817 134 Y 4.4389 8.7272 118.4267 62.4459 38.7484 178.0295 135 T 3.9206 8.3864 116.4284 65.5520 68.1821 176.4185 136 R 4.0746 8.6481 120.5655 60.5922 30.4221 178.5201 137 Y 4.2993 7.9071 115.5358 61.2713 38.5872 178.3454 138 L 4.1215 8.1062 118.5586 56.3309 41.5528 179.2425 139 G 3.6749 8.5343 106.9295 46.4930 0.0000 174.6274 140 D 4.8526 8.2607 122.0159 51.6444 40.2134 174.3614 141 L 4.5100 8.0011 124.2468 56.8717 48.1559 176.6231 142 S 3.6368 7.5569 112.2009 60.8329 62.8047 174.3989 *145 Q 4.4704 7.9642 119.0806 55.3078 31.4829 175.3327 146 V 4.3774 6.7679 114.1863 62.2109 31.5196 176.5977 147 L 3.8102 8.8298 117.2177 57.9512 41.2254 178.6210 148 K 3.9606 7.4217 118.1727 59.6325 32.3399 178.3565 149 K 4.5097 7.3624 117.2255 58.4650 32.4796 177.6584 150 I 4.1923 8.2584 118.4653 62.0308 38.6768 177.2648 151 A 4.0514 8.0198 119.9778 53.3176 18.2792 177.4453 152 Q 4.4515 8.2510 116.2088 57.5637 31.0321 177.4872 153 K 4.1937 8.0563 113.2168 57.0308 32.2970 176.8775 154 A 4.7620 7.4353 119.7535 52.0398 19.9021 177.3566 155 M 4.5601 7.9831 114.2265 56.2477 34.0906 175.1717 156 A 3.7669 8.3021 118.5347 52.8847 16.4545 178.3223 157 L 4.2398 7.3294 115.8703 54.5960 42.3224 175.2463 158 P 4.2297 0.0000 0.0000 62.7807 31.8755 177.5189 159 S 4.3097 8.5171 115.4248 60.1620 63.5652 175.6876 160 S 4.0907 7.9627 116.1252 61.0992 62.6717 175.1740 161 G 4.0872 7.9114 108.2914 44.7134 0.0000 172.7420 162 E 3.7422 7.6718 120.8635 57.1773 29.9109 177.0069 163 G 3.9249 9.7884 112.9721 45.4983 0.0000 174.3890 164 L 4.7548 7.6267 114.0575 55.6183 44.8305 176.9207 165 A 4.2516 8.0433 122.0564 53.3420 18.7376 179.9970 166 F 3.8707 8.0777 117.8940 60.6437 39.6134 175.5933 167 F 4.8264 7.7483 117.6758 57.6598 38.6115 175.2728 168 T 4.6828 7.0305 116.0227 61.8375 71.8632 174.1977 169 F 4.5193 8.5702 122.4800 55.0368 41.3127 173.1252 170 P 4.3533 0.0000 0.0000 66.1221 31.2081 179.2488 171 S 4.3204 8.1029 110.3623 58.5506 62.2312 174.2862 172 I 4.1868 7.5979 122.5520 59.2910 36.8170 174.9896 173 D 4.3219 7.9582 125.8783 55.4615 41.8192 175.0023 174 N 4.6973 7.7229 118.0768 51.4215 40.3802 172.2921 175 P 4.1659 0.0000 0.0000 64.5458 31.2092 177.4837 176 T 3.9545 8.4397 105.6595 62.1364 69.2570 174.9624 177 K 4.6013 9.1852 119.5699 56.3126 32.9713 176.3430 178 F 4.5650 7.9451 121.9285 58.3204 41.5912 176.9026 179 K 3.9362 8.1660 120.4994 58.8879 31.6100 178.2666 180 Q 4.0898 7.8966 117.0486 58.3103 29.2601 177.2151 181 L 3.9451 7.4090 120.9196 58.6585 42.0081 177.4082 182 Y 3.9849 8.6783 120.9562 59.3117 38.5314 176.9962 183 R 4.1197 8.6838 121.8968 58.7269 31.1237 178.1632 184 A 4.2193 8.3287 121.9392 54.3484 18.4885 179.4909 185 R 4.0174 7.8655 115.7731 59.4006 30.0245 179.0637 186 M 3.9193 7.7703 116.8179 58.0304 32.7335 176.8497 187 N 4.6860 8.4963 115.3508 53.6179 38.8848 176.0661 188 T 4.2593 7.0460 109.6775 61.5582 69.1088 175.0320 189 L 4.0819 7.1381 121.9653 53.8926 40.6813 176.4119 190 E 4.1755 8.5383 126.1137 55.5533 29.2194 175.7400 191 M 4.8222 8.1941 123.4662 53.0012 34.2501 175.5547 192 T 4.0514 8.3006 111.5740 61.1685 69.4311 173.0837 193 P 4.5192 0.0000 0.0000 63.8992 31.3881 177.2186 194 E 4.4317 7.9697 119.4942 57.4985 30.7461 177.6765 195 V 3.7113 7.4234 116.8213 65.1107 31.4805 177.7099 196 K 4.1290 8.0086 118.9152 59.1328 32.2853 177.6335 197 H 4.4210 7.9063 119.6743 57.3382 29.6736 176.4435 198 R 4.4142 7.9183 117.4182 56.9386 30.6447 178.1461 199 V 3.8618 7.3131 118.0270 65.8819 31.4967 177.5768 200 T 3.8459 7.5421 109.3032 65.2347 68.2015 175.6681 201 E 3.9699 7.7195 119.8567 58.9812 29.6597 178.1422 202 E 4.4489 8.2975 116.7357 56.4550 29.5325 176.7964 203 A 4.6847 8.1125 118.4799 52.6645 20.1312 178.0026 204 K 4.5880 7.7406 116.2835 57.5843 33.9483 178.4923 205 T 3.9037 7.8222 115.6720 66.4447 68.4029 176.4470 206 A 3.9946 7.6820 121.2402 54.0814 18.2008 179.5457 207 F 4.3569 8.0081 119.4278 61.3678 39.2535 176.5686 208 L 3.9034 8.0376 116.6121 55.4614 41.4849 178.2961 209 L 3.7339 7.1940 119.7649 56.2258 41.7524 177.8498 210 N 4.8229 7.7886 116.7669 56.7364 39.4203 176.4486 211 I 3.6131 8.4878 118.8530 63.9228 37.0202 179.4846 212 E 3.6700 5.9000 122.1767 59.5037 31.4491 178.2222 213 L 3.9823 8.2766 120.7176 57.9695 42.1341 178.6057 214 F 4.2110 9.6318 118.2212 60.9913 38.9712 177.7519 215 E 4.1243 7.7747 115.8413 59.0499 29.4031 177.9242 216 E 4.1167 8.6966 120.2225 58.0429 29.5493 179.0630 217 L 3.5948 6.8346 119.2290 57.5956 42.1990 178.7025 218 Q 3.8850 7.3591 123.0889 52.9446 27.4704 175.1318 219 A 5.5205 7.5819 135.0000 53.0922 18.5169 179.1639 220 L 4.0519 7.2848 116.1777 56.8462 41.6967 177.9110 221 L 4.4309 7.7342 116.3752 55.2398 42.3217 178.3818 222 T 3.4633 7.3213 114.7157 64.1907 66.0619 171.6324 223 E 4.1578 8.7068 127.0181 57.7538 29.5711 176.4019 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 30 N 8.42 4.70 0.00 2.69 2.79 0.00 0.00 6.73 6.75 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 31 S 8.34 4.36 0.00 3.82 3.76 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 32 E 8.27 4.69 0.00 2.37 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 2.25 2.32 0.00 33 F 8.94 4.50 0.00 3.28 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 34 M 8.04 3.91 0.00 1.86 2.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.35 0.00 35 R 7.55 4.33 0.00 1.74 2.16 0.00 3.23 0.00 0.00 3.24 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 36 N 8.14 4.96 0.00 2.31 2.66 0.00 0.00 6.78 7.30 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 37 F 7.47 5.17 0.00 3.03 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 38 Q 7.86 4.57 0.00 1.96 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.51 0.00 0.00 0.00 0.00 0.00 2.14 2.20 0.00 39 K 7.37 4.36 0.00 1.64 1.20 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.41 7.81 40 G 8.61 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 9.16 4.26 0.00 2.16 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 6.97 0.00 0.00 0.00 0.00 0.00 2.23 2.32 0.00 42 V 7.72 3.81 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 0.86 0.00 0.00 1.12 0.00 0.00 43 S 8.63 3.87 0.00 4.06 3.82 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 44 R 8.76 4.73 0.00 1.95 1.97 0.00 3.28 0.00 0.00 3.31 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.10 0.00 45 E 8.39 4.11 0.00 2.16 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 2.40 2.46 0.00 46 G 8.10 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 47 F 8.17 4.02 0.00 3.10 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 48 K 7.41 3.31 0.00 1.59 1.68 0.00 1.44 0.00 0.00 1.78 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.60 1.37 7.81 49 L 7.16 4.31 0.00 2.05 1.62 0.86 0.71 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 50 V 7.20 3.30 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 1.02 0.00 0.00 51 M 6.95 3.56 0.00 1.42 1.39 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.11 0.00 52 A 7.10 4.48 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 53 S 7.74 4.29 0.00 3.74 3.63 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 54 L 7.82 3.86 0.00 1.46 1.88 0.11 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 55 Y 7.66 4.31 0.00 3.13 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.51 3.72 0.00 3.28 3.41 0.00 5.88 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 57 I 7.58 3.41 1.73 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.69 0.21 0.00 0.00 58 Y 9.01 3.80 0.00 2.98 3.24 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 59 T 8.36 3.82 4.13 0.00 0.00 0.00 0.00 0.00 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 60 A 7.99 3.95 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.70 3.96 0.00 1.52 1.84 0.97 0.35 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 62 E 8.85 4.38 0.00 2.15 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 2.45 2.75 0.00 63 E 7.71 4.54 0.00 2.22 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 2.36 2.38 0.00 64 E 8.68 4.63 0.00 2.00 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 2.44 2.59 0.00 65 I 7.13 3.88 2.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.64 1.36 0.00 0.00 66 E 8.10 4.22 0.00 2.00 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 2.60 2.34 0.00 67 R 8.09 4.06 0.00 1.77 1.92 0.00 3.20 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 68 N 7.64 5.00 0.00 2.69 2.77 0.00 0.00 7.12 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 K 7.85 4.15 0.00 1.01 1.74 0.00 0.80 0.00 0.00 1.26 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.29 1.19 7.81 70 Q 7.85 4.10 0.00 1.99 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.94 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 71 N 7.97 4.33 0.00 2.72 2.72 0.00 0.00 7.20 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 72 P 0.00 4.48 0.00 2.21 2.05 0.00 3.64 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.09 0.00 73 V 8.10 4.04 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 0.73 0.00 0.00 1.02 0.00 0.00 74 Y 8.09 5.12 0.00 3.18 2.99 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 75 A 7.45 4.02 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 76 P 0.00 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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 0.00 0.00 0.00 0.00 0.00 0.00 *145 Q 7.96 4.47 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.80 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 146 V 6.77 4.38 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 0.89 0.00 0.00 0.94 0.00 0.00 147 L 8.83 3.81 0.00 0.95 1.56 0.83 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 148 K 7.42 3.96 0.00 1.78 1.82 0.00 1.83 0.00 0.00 2.03 0.00 0.00 2.97 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.75 1.78 7.81 149 K 7.36 4.51 0.00 1.94 1.89 0.00 1.83 0.00 0.00 1.54 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.63 7.81 150 I 8.26 4.19 1.89 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 1.20 1.15 0.89 0.00 0.00 151 A 8.02 4.05 1.15 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 0.00 0.00 152 Q 8.25 4.45 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.86 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 153 K 8.06 4.19 0.00 1.73 1.83 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.37 7.81 154 A 7.44 4.76 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 0.00 155 M 7.98 4.56 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.66 0.00 156 A 8.30 3.77 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 0.00 157 L 7.33 4.24 0.00 1.70 1.60 0.86 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 158 P 0.00 4.23 0.00 2.10 2.00 0.00 3.60 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.17 0.00 159 S 8.52 4.31 0.00 3.96 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 0.00 160 S 7.96 4.09 0.00 3.95 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 0.00 161 G 7.91 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 0.00 0.00 0.00 162 E 7.67 3.74 0.00 1.77 1.57 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 1.47 1.89 0.00 163 G 9.79 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 L 7.63 4.75 0.00 1.98 1.88 1.01 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 165 A 8.04 4.25 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 0.00 166 F 8.08 3.87 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 0.00 167 F 7.75 4.83 0.00 3.41 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 0.00 168 T 7.03 4.68 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 1.20 0.00 0.00 169 F 8.57 4.52 0.00 2.73 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 0.00 170 P 0.00 4.35 0.00 2.21 2.29 0.00 3.68 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.97 0.00 171 S 8.10 4.32 0.00 4.06 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 0.00 172 I 7.60 4.19 1.92 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.40 0.65 0.00 0.00 173 D 7.96 4.32 0.00 2.62 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 0.00 174 N 7.72 4.70 0.00 2.72 2.71 0.00 0.00 6.97 7.69 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 0.00 175 P 0.00 4.17 0.00 2.22 2.03 0.00 3.76 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.93 0.00 176 T 8.44 3.95 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 1.19 0.00 0.00 177 K 9.19 4.60 0.00 1.74 1.82 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.35 1.33 7.81 178 F 7.95 4.57 0.00 2.95 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 0.00 179 K 8.17 3.94 0.00 1.87 1.81 0.00 1.72 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.54 1.52 7.81 180 Q 7.90 4.09 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.85 0.00 0.00 0.00 0.00 0.00 2.33 2.53 0.00 181 L 7.41 3.95 0.00 1.53 1.17 0.97 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 182 Y 8.68 3.98 0.00 2.38 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 0.00 183 R 8.68 4.12 0.00 1.98 2.10 0.00 3.32 0.00 0.00 3.42 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.05 0.00 184 A 8.33 4.22 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 0.00 185 R 7.87 4.02 0.00 1.60 1.81 0.00 3.19 0.00 0.00 3.04 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.91 0.00 186 M 7.77 3.92 0.00 2.14 1.98 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.55 0.00 187 N 8.50 4.69 0.00 2.76 2.79 0.00 0.00 6.68 7.05 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 0.00 188 T 7.05 4.26 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 1.17 0.00 0.00 189 L 7.14 4.08 0.00 1.94 1.66 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 190 E 8.54 4.18 0.00 1.91 1.87 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 2.28 2.28 0.00 191 M 8.19 4.82 0.00 2.11 1.97 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.65 0.00 192 T 8.30 4.05 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 0.00 193 P 0.00 4.52 0.00 2.06 2.14 0.00 3.65 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 194 E 7.97 4.43 0.00 1.95 1.91 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 2.22 2.42 0.00 195 V 7.42 3.71 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 0.96 0.00 0.00 0.95 0.00 0.00 196 K 8.01 4.13 0.00 1.86 1.79 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.47 7.81 197 H 7.91 4.42 0.00 3.20 3.41 0.00 5.67 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 R 7.92 4.41 0.00 1.85 1.98 0.00 3.31 0.00 0.00 3.40 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 199 V 7.31 3.86 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 1.09 0.00 0.00 1.08 0.00 0.00 200 T 7.54 3.85 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 201 E 7.72 3.97 0.00 2.21 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 2.52 2.42 0.00 202 E 8.30 4.45 0.00 2.10 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 2.39 2.50 0.00 203 A 8.11 4.68 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 0.00 204 K 7.74 4.59 0.00 1.87 2.02 0.00 1.70 0.00 0.00 1.86 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.83 7.81 205 T 7.82 3.90 4.33 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 1.19 0.00 0.00 206 A 7.68 3.99 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 0.00 207 F 8.01 4.36 0.00 3.03 3.33 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 0.00 208 L 8.04 3.90 0.00 1.55 1.46 0.82 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 209 L 7.19 3.73 0.00 0.88 0.13 0.83 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 210 N 7.79 4.82 0.00 2.99 3.06 0.00 0.00 7.38 7.43 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 0.00 211 I 8.49 3.61 1.70 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.39 0.83 0.00 0.00 212 E 5.90 3.67 0.00 2.25 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 2.17 2.47 0.00 213 L 8.28 3.98 0.00 2.05 2.42 0.80 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 214 F 9.63 4.21 0.00 3.28 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 215 E 7.77 4.12 0.00 2.15 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 2.40 2.36 0.00 216 E 8.70 4.12 0.00 1.99 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 2.21 2.29 0.00 217 L 6.83 3.59 0.00 1.38 1.42 0.56 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 218 Q 7.36 3.88 0.00 1.04 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.19 0.00 0.00 0.00 0.00 0.00 1.83 1.16 0.00 219 A 7.58 5.52 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 0.00 220 L 7.28 4.05 0.00 1.66 1.70 0.91 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 0.00 221 L 7.73 4.43 0.00 1.70 1.75 0.88 0.61 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 0.00 222 T 7.32 3.46 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 1.20 0.00 0.00 223 E 8.71 4.16 0.00 1.96 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 * Residues marked with a * may have inaccurate shift predictions.