NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.2924 8.2985 118.8095 56.2941 30.8511 175.5963 4 A 4.1788 8.4993 121.2776 51.7752 18.3626 175.9223 5 Y 4.1836 7.4188 119.8537 57.1088 38.7664 173.7925 6 F 4.5321 6.9752 124.1591 54.5192 37.3736 175.8359 7 R 3.7922 7.1503 123.8871 55.6737 30.0870 177.2317 8 V 3.6766 8.1786 120.1844 62.8242 31.9626 175.9060 9 E 4.2118 8.5174 125.1461 55.9214 30.4279 176.3883 10 S 4.5680 8.3651 114.6404 58.1602 63.3788 174.0249 11 G 4.0917 9.7496 110.4707 44.4717 0.0000 174.4133 12 A 3.9506 7.9804 121.7914 55.3649 18.3362 179.0441 13 L 4.1140 8.0233 113.4372 56.3570 41.9747 176.6615 14 G 4.3177 7.5824 108.3174 43.0401 0.0000 170.6004 15 P 4.3431 0.0000 0.0000 65.2396 31.2815 176.1199 16 E 4.7685 7.6104 113.2721 54.2217 33.4483 174.7608 17 E 4.2289 8.5294 120.1722 56.2125 30.5814 176.1714 18 N 4.8712 8.4863 116.8086 52.1078 39.4405 176.0570 19 F 3.6773 8.4830 126.7108 60.6844 39.9187 176.1665 20 L 4.4037 7.7883 116.8674 54.2701 42.2482 176.3555 21 S 4.3201 8.6897 116.2132 57.7632 62.7678 174.7183 22 L 4.0156 8.5770 129.7603 57.9965 41.2484 179.1534 23 D 4.5071 8.0091 117.7142 57.5041 40.9365 178.0647 24 D 4.5324 7.8929 118.1327 56.1262 40.9746 177.6945 25 I 4.2554 7.3271 110.9902 60.9009 38.2577 175.8821 26 L 4.4420 7.2849 121.3517 55.8836 42.7334 177.2960 *28 S 4.6104 7.9488 112.6664 57.9624 64.9376 174.8427 29 H 4.8868 8.3239 120.3473 58.1719 31.1816 175.1768 30 E 4.2269 8.5843 117.3393 56.9493 30.3377 177.0718 31 K 4.7565 8.5734 122.0188 56.2146 33.4443 175.9748 32 L 4.9585 9.0277 124.3068 52.7289 46.0172 173.4514 33 P 5.8048 0.0000 0.0000 61.4929 32.7708 175.5687 34 V 4.8944 9.3138 123.3928 60.0855 35.7323 174.0108 35 R 5.0728 8.7690 122.2295 54.4102 32.5244 174.6357 36 T 4.3260 8.7742 117.9375 61.9424 69.7158 174.3744 37 E 4.6354 8.7822 124.8261 55.8621 30.2086 175.5769 38 T 4.1527 7.3365 110.8245 61.2388 70.0788 173.9599 39 A 4.7613 8.4895 128.4306 50.3739 19.9738 174.6783 *41 P 4.0961 0.0000 0.0000 64.3115 32.1605 177.0828 42 R 4.2234 8.2950 119.5466 56.2501 29.1012 177.0545 43 L 4.4801 7.8576 117.6468 56.5566 42.5547 178.7950 44 G 3.9646 8.8357 105.9049 48.1936 0.0000 174.4292 45 A 4.0978 7.8077 121.5245 54.7396 18.5196 178.0270 46 F 4.4481 7.6895 121.6953 55.6780 39.0087 174.4446 47 F 4.6003 7.7516 118.6427 57.3390 41.9570 174.2295 48 L 4.4358 7.0884 118.3521 55.7574 44.9779 176.4609 *57 D 4.3099 7.7214 120.7268 52.6082 40.1769 174.5347 58 N 4.0901 8.0006 119.7678 54.4156 39.2975 173.9409 59 A 4.4353 8.2333 129.8527 51.2149 20.4982 175.4464 60 V 4.2087 8.0471 116.9059 60.1608 32.7978 173.7245 61 P 4.1834 0.0000 0.0000 63.3224 31.5658 176.2002 62 Q 4.7039 8.7022 124.2759 54.4172 26.6155 176.3912 63 G 5.2286 7.5051 119.7714 46.6728 0.0000 170.7766 64 S 4.2355 7.4903 117.3927 58.2333 64.1544 173.8271 65 K 4.7598 8.5529 123.3900 55.3849 32.5682 175.7547 66 L 4.6953 9.0539 125.5316 52.9896 45.5971 175.9021 67 E 4.9730 8.6989 119.2988 54.9626 31.2670 175.1724 68 L 4.9702 8.3715 124.6624 51.9433 44.9108 174.7400 69 P 4.7350 0.0000 0.0000 61.6287 32.1505 177.2142 70 L 3.9787 9.1636 125.4753 58.2492 41.8192 179.5804 71 W 4.2656 8.3794 116.3971 59.7409 28.1905 178.0704 72 L 3.7884 6.3762 121.1033 57.4013 41.4161 178.6195 73 A 4.1381 7.9696 120.6163 54.7416 18.0634 179.4952 74 K 4.1115 8.1136 118.0363 59.2453 32.2922 179.1274 75 G 3.8371 7.9192 105.5630 47.9046 0.0000 175.4189 76 L 4.2754 7.7506 119.8398 55.8057 42.1183 177.7387 77 F 4.4013 7.5833 120.2092 58.5380 40.1515 173.6653 78 D 4.2545 6.3689 122.0565 52.0168 41.3917 176.0757 79 N 4.3052 8.5064 117.8155 55.1067 38.5284 175.6360 80 K 4.3093 8.2816 116.9655 55.1874 33.4045 176.0244 81 R 3.9947 7.6211 117.1183 56.2273 28.1467 177.4191 82 R 4.0564 8.0632 117.5373 59.3220 31.0644 178.6884 83 I 4.3116 7.7291 117.7878 63.0248 38.8480 175.6102 84 L 5.1184 7.6195 119.6692 54.7679 44.3192 174.6441 85 S 4.9813 8.9490 114.5934 56.7663 66.4786 173.7114 86 V 4.6981 8.4341 122.2318 60.9929 34.2530 174.0872 87 E 4.7130 8.3301 125.4568 53.9692 32.4050 175.5804 88 L 4.1885 8.5474 126.3157 53.9235 42.6601 175.4792 89 P 4.5170 0.0000 0.0000 62.3051 32.3383 177.3151 90 K 3.9134 8.9642 120.5613 59.9939 32.0202 179.1284 91 I 2.9260 7.6569 116.4039 63.6345 37.6140 175.5551 92 Y 4.7546 7.7019 115.3211 58.0467 38.3204 176.1571 93 Q 4.5462 8.8500 120.8835 54.7810 31.2676 176.3676 94 E 4.0567 8.7579 122.8029 59.7100 29.9091 179.5042 95 G 3.6690 8.2771 105.0450 47.9492 0.0000 175.3863 96 W 4.2486 8.2129 120.8530 59.3517 29.1330 178.7926 97 R 4.3821 8.5871 118.1504 59.6488 29.3236 179.2112 98 T 4.0576 8.2686 115.9072 66.2212 68.4895 177.2308 99 V 3.5594 7.6472 119.7955 66.1551 31.4020 177.9678 100 F 4.2895 8.7025 116.4627 60.9060 38.8102 177.3763 101 S 4.3427 7.9843 111.8473 61.2427 62.2575 175.7248 102 A 4.3797 7.6483 122.9401 54.1421 19.7668 177.5203 103 D 4.6845 8.0627 115.3403 52.6755 43.1222 173.6220 104 P 4.5622 0.0000 0.0000 65.2282 31.8959 179.3113 105 N 4.5386 8.3143 116.1431 55.5866 38.8144 177.4580 106 V 3.6631 7.5926 117.7038 64.2236 31.7086 177.2258 107 V 3.4976 7.1181 119.3524 62.1078 31.5428 175.3520 108 D 4.5053 8.3698 127.0303 53.3549 39.7850 176.3215 109 L 3.8090 8.0980 126.1327 56.7097 42.3577 178.7538 110 H 4.2493 8.0176 119.5438 59.2095 30.4165 176.5950 111 K 4.2080 9.0873 119.3050 55.9445 29.8400 177.7085 *113 G 3.6148 7.5966 106.2305 44.6558 0.0000 169.8273 114 P 4.4508 0.0000 0.0000 65.4092 32.2501 176.8103 115 H 5.0837 7.9668 116.6405 54.0476 25.3200 175.3409 116 F 4.1358 8.0901 127.3959 61.8461 39.5730 175.8205 117 Y 4.0903 8.2291 116.3333 60.9183 37.6578 178.4532 118 G 3.6831 8.2824 106.2983 47.6273 0.0000 175.3980 119 F 3.9509 8.5557 123.1940 60.9503 39.3040 177.1464 120 G 2.9844 7.5618 103.9673 47.7279 0.0000 175.0078 121 S 4.0921 7.9818 115.5603 61.3025 62.4997 176.3434 122 Q 3.8364 8.1002 120.7343 58.6773 28.1497 178.4961 123 L 3.9558 7.8459 120.9029 58.0229 42.0169 178.8113 124 L 4.0647 7.6342 118.6748 57.5370 41.2591 178.3075 125 H 4.3979 7.6808 114.2417 57.0551 27.7772 175.5907 126 F 3.9671 7.5286 120.0442 56.7470 38.7578 176.0560 127 D 4.5704 8.2844 117.7162 54.8560 39.6459 173.5506 128 S 4.2445 7.3820 112.9944 57.5115 62.6715 173.3875 129 P 4.5127 0.0000 0.0000 64.4493 31.5612 176.4532 130 E 4.6582 8.0704 117.7685 56.4244 30.2052 177.9201 131 N 4.2350 8.1447 117.9364 57.2378 38.5034 176.4661 132 A 3.9914 8.1129 121.4399 55.5747 18.4283 179.2100 133 D 4.3169 8.0675 116.3386 57.7111 41.1541 178.7778 134 I 3.7734 7.9344 120.3214 64.5152 36.9742 178.2745 135 S 4.0252 8.5552 114.0431 61.6432 62.3523 176.1547 136 Q 4.0358 8.3807 121.9193 58.5680 28.6262 178.2320 137 S 4.1277 7.9435 114.3819 61.5442 62.6299 175.6937 138 L 4.1621 7.8355 121.4162 58.0069 41.3089 179.2256 139 L 3.9634 7.7892 120.0775 58.3245 42.0217 178.5193 140 Q 4.0301 8.2724 119.3079 59.8675 28.7613 178.6901 141 T 4.0867 8.3554 112.8357 64.5345 67.7351 176.0291 142 F 4.3946 8.3118 124.3364 60.6696 39.4425 176.9490 143 I 3.9175 8.3852 119.8872 64.6220 36.8561 178.5397 144 G 3.9407 8.2456 104.8946 47.0650 0.0000 174.3620 145 R 4.7636 7.6971 119.5082 55.0898 31.1516 177.3861 146 F 4.0497 7.9305 120.8550 61.6325 39.3925 176.3464 147 R 3.5179 7.9457 116.3583 59.6047 29.6004 177.9340 148 R 4.0685 7.7677 117.4546 58.7896 30.1136 177.9855 149 I 3.9919 7.2703 116.6870 62.3314 36.9782 177.2211 *151 D 4.4596 8.1376 122.8788 54.5164 42.7457 177.9914 152 S 4.0879 7.8239 112.5431 61.2550 62.9003 176.2599 153 S 2.9526 8.2801 115.1335 61.1349 62.6543 175.5466 154 Q 4.3268 7.2390 115.0624 55.6047 28.1882 174.7886 155 N 4.9533 7.4187 115.2971 50.7278 41.5517 174.0242 156 A 4.2157 8.2344 122.2072 51.8237 19.0525 177.0570 157 Y 3.9931 8.5481 123.0839 58.2091 39.0201 174.6890 158 N 4.4877 8.1010 118.0549 51.1339 40.1620 174.5461 159 E 3.9617 8.4643 117.7411 60.1948 29.3589 178.2174 160 D 4.4468 8.1052 117.8911 57.6023 40.8846 178.7805 161 T 3.7011 7.4467 115.4359 67.1001 68.3382 176.3351 162 S 4.1338 7.7342 114.9410 61.8420 62.5782 176.9631 163 A 3.9584 7.7245 122.6656 54.8069 18.4166 179.1805 164 L 3.9207 7.8538 118.9891 58.1932 42.1678 179.1744 165 V 3.1968 7.4599 117.4558 65.9099 31.2141 177.4229 166 A 4.0836 7.4524 118.3718 54.0688 18.5009 177.8036 167 R 4.8520 7.7097 114.9736 55.6953 32.0518 175.4110 168 L 4.7620 8.0097 120.6833 53.9814 42.7092 176.5325 169 D 4.6382 9.4588 123.7817 53.0429 43.3431 177.1691 170 E 4.1845 8.7258 117.7420 56.7935 29.0410 178.2914 *172 E 4.4511 8.2878 118.7800 56.0772 31.8520 178.4838 173 R 4.0981 8.6939 118.3203 59.3164 30.0827 179.3899 174 G 3.7042 8.1141 105.0718 47.6636 0.0000 175.4329 175 L 4.0652 8.0770 122.3058 58.0201 42.0766 178.7443 176 F 4.1104 8.6704 121.0033 61.2369 39.3333 176.9131 177 Q 4.0168 8.3961 119.3775 59.3631 28.8759 178.1892 178 T 3.9551 8.2519 114.3696 65.0819 67.4262 176.3078 179 G 3.8932 7.9174 109.0309 47.3586 0.0000 175.5004 180 Q 4.0075 7.9363 120.3915 58.7517 28.7027 179.2325 181 K 4.1562 8.1622 119.6318 59.1435 32.1069 179.5010 182 G 3.7226 8.0899 106.2256 47.8416 0.0000 175.5002 183 L 4.0522 7.7673 122.3361 57.7114 42.1161 178.3927 184 N 4.3008 8.1478 117.0036 56.8152 39.0589 175.8854 185 D 4.4294 8.5371 119.8225 57.7451 41.2505 178.4384 186 F 4.2976 8.2100 120.2391 61.4957 38.6355 177.1145 187 Q 4.6298 8.6116 118.9655 58.1600 28.3724 178.3236 188 C 4.2765 8.3371 118.4479 62.2437 28.1429 175.4507 189 W 4.3315 8.0761 129.8374 60.2906 30.5511 177.4464 190 E 3.2448 8.1505 115.4841 57.2864 28.6262 177.4120 191 K 4.3783 7.0898 116.0057 55.9974 33.0136 176.1643 192 G 3.6217 8.0447 107.1541 45.2732 0.0000 173.5645 193 Q 3.9502 8.5135 126.9287 56.2943 30.5640 173.0012 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 3 E 8.30 4.29 0.00 2.22 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 2.59 2.54 0.00 4 A 8.50 4.18 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 5 Y 7.42 4.18 0.00 2.73 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 6 F 6.98 4.53 0.00 3.05 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 R 7.15 3.79 0.00 1.83 1.14 0.00 3.03 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.53 0.00 8 V 8.18 3.68 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 0.99 0.00 0.00 9 E 8.52 4.21 0.00 2.12 1.93 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 2.27 2.23 0.00 10 S 8.37 4.57 0.00 3.89 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 11 G 9.75 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 12 A 7.98 3.95 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 13 L 8.02 4.11 0.00 1.57 1.64 0.99 0.60 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 14 G 7.58 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 0.00 0.00 0.00 0.00 15 P 0.00 4.34 0.00 2.03 2.15 0.00 3.59 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.11 0.00 16 E 7.61 4.77 0.00 1.89 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 2.21 2.23 0.00 17 E 8.53 4.23 0.00 1.98 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 2.31 2.33 0.00 18 N 8.49 4.87 0.00 2.91 2.77 0.00 0.00 6.42 8.13 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 19 F 8.48 3.68 0.00 2.98 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 20 L 7.79 4.40 0.00 1.71 1.68 1.04 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.69 4.32 0.00 4.02 3.90 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 22 L 8.58 4.02 0.00 1.76 1.72 0.97 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 23 D 8.01 4.51 0.00 2.69 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 24 D 7.89 4.53 0.00 2.81 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 25 I 7.33 4.26 1.72 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.49 0.79 0.00 0.00 26 L 7.28 4.44 0.00 2.11 1.66 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 *28 S 7.95 4.61 0.00 4.13 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 29 H 8.32 4.89 0.00 3.31 3.43 0.00 5.63 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.58 4.23 0.00 2.13 1.73 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 2.53 2.34 0.00 31 K 8.57 4.76 0.00 1.63 1.73 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.42 1.36 7.81 32 L 9.03 4.96 0.00 1.78 1.52 0.96 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 33 P 0.00 5.80 0.00 2.09 1.94 0.00 4.10 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 2.10 1.92 0.00 34 V 9.31 4.89 2.00 0.00 0.00 0.00 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 35 R 8.77 5.07 0.00 1.84 1.77 0.00 3.08 0.00 0.00 3.21 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.61 0.00 36 T 8.77 4.33 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 1.10 0.00 0.00 37 E 8.78 4.64 0.00 1.97 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 2.42 2.55 0.00 38 T 7.34 4.15 4.39 0.00 0.00 0.00 0.00 0.00 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 39 A 8.49 4.76 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 *41 P 0.00 4.10 0.00 2.24 2.12 0.00 3.85 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.01 0.00 42 R 8.29 4.22 0.00 2.00 2.31 0.00 3.18 0.00 0.00 3.25 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 43 L 7.86 4.48 0.00 1.78 2.04 1.07 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 44 G 8.84 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 7.81 4.10 1.50 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 46 F 7.69 4.45 0.00 2.90 2.86 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 0.00 0.00 0.00 47 F 7.75 4.60 0.00 3.21 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 48 L 7.09 4.44 0.00 1.51 1.44 0.93 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 *57 D 7.72 4.31 0.00 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1.87 1.95 0.00 3.10 0.00 0.00 3.19 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.53 0.00 83 I 7.73 4.31 1.89 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 1.39 0.88 0.92 0.00 0.00 84 L 7.62 5.12 0.00 1.69 1.75 0.97 0.86 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 85 S 8.95 4.98 0.00 3.78 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 86 V 8.43 4.70 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 0.04 0.00 0.00 0.42 0.00 0.00 87 E 8.33 4.71 0.00 1.95 1.72 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 2.21 2.25 0.00 88 L 8.55 4.19 0.00 1.76 1.72 0.94 1.17 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 89 P 0.00 4.52 0.00 2.41 2.02 0.00 3.97 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.25 0.00 90 K 8.96 3.91 0.00 1.87 2.08 0.00 1.75 0.00 0.00 1.84 0.00 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3.50 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 0.22 0.00 0.00 0.44 0.00 0.00 108 D 8.37 4.51 0.00 2.70 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 0.00 0.00 0.00 109 L 8.10 3.81 0.00 1.58 1.66 0.55 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 110 H 8.02 4.25 0.00 3.36 3.54 0.00 5.78 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 K 9.09 4.21 0.00 1.80 1.70 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.45 1.51 7.81 *113 G 7.60 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 P 0.00 4.45 0.00 2.16 2.09 0.00 3.88 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.98 0.00 115 H 7.97 5.08 0.00 3.39 3.43 0.00 5.83 0.00 0.00 0.00 0.00 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 F 8.09 4.14 0.00 3.02 2.96 0.00 0.00 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0.00 0.00 0.00 0.00 133 D 8.07 4.32 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 0.00 134 I 7.93 3.77 1.99 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 1.50 1.45 0.83 0.00 0.00 135 S 8.56 4.03 0.00 3.89 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 0.00 136 Q 8.38 4.04 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.60 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 137 S 7.94 4.13 0.00 4.22 4.11 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 0.00 0.00 0.00 0.00 138 L 7.84 4.16 0.00 1.86 1.96 0.79 0.15 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 0.00 139 L 7.79 3.96 0.00 1.70 1.84 0.93 0.80 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 0.00 140 Q 8.27 4.03 0.00 2.40 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 141 T 8.36 4.09 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 1.19 0.00 0.00 142 F 8.31 4.39 0.00 3.31 3.20 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 0.00 143 I 8.39 3.92 2.11 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.94 1.00 0.00 0.00 144 G 8.25 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 0.00 145 R 7.70 4.76 0.00 1.79 1.91 0.00 3.25 0.00 0.00 3.51 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.78 0.00 146 F 7.93 4.05 0.00 2.90 3.28 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 0.00 147 R 7.95 3.52 0.00 1.80 1.89 0.00 3.39 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 148 R 7.77 4.07 0.00 1.87 1.85 0.00 3.20 0.00 0.00 3.30 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 149 I 7.27 3.99 1.93 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.70 1.02 0.00 0.00 *151 D 8.14 4.46 0.00 2.66 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 S 7.82 4.09 0.00 3.95 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 0.00 153 S 8.28 2.95 0.00 3.62 3.73 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 0.00 154 Q 7.24 4.33 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.72 0.00 0.00 0.00 0.00 0.00 2.30 2.22 0.00 155 N 7.42 4.95 0.00 2.66 2.71 0.00 0.00 6.86 8.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 A 8.23 4.22 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 0.00 157 Y 8.55 3.99 0.00 3.04 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 0.00 158 N 8.10 4.49 0.00 2.97 2.93 0.00 0.00 6.93 7.54 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 0.00 159 E 8.46 3.96 0.00 2.13 2.00 0.00 0.00 0.00 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 2.50 0.00 160 D 8.11 4.45 0.00 2.70 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 0.00 161 T 7.45 3.70 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 0.58 0.00 0.00 162 S 7.73 4.13 0.00 4.05 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 A 7.72 3.96 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 0.00 164 L 7.85 3.92 0.00 1.66 1.63 0.86 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 165 V 7.46 3.20 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.15 0.00 0.00 166 A 7.45 4.08 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 0.00 167 R 7.71 4.85 0.00 1.70 1.86 0.00 3.08 0.00 0.00 3.11 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.63 0.00 168 L 8.01 4.76 0.00 1.55 1.58 0.93 0.67 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 0.00 169 D 9.46 4.64 0.00 2.86 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 0.00 170 E 8.73 4.18 0.00 2.00 1.93 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 2.24 2.38 0.00 *172 E 8.29 4.45 0.00 2.49 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.58 0.00 173 R 8.69 4.10 0.00 2.06 2.05 0.00 3.16 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.97 0.00 174 G 8.11 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 L 8.08 4.07 0.00 1.91 1.98 1.06 1.12 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 0.00 176 F 8.67 4.11 0.00 3.29 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 0.00 177 Q 8.40 4.02 0.00 2.50 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.59 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 178 T 8.25 3.96 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 1.33 0.00 0.00 179 G 7.92 3.89 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 0.00 0.00 0.00 180 Q 7.94 4.01 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 1.75 2.55 0.00 181 K 8.16 4.16 0.00 1.97 1.88 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.68 7.81 182 G 8.09 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 0.00 183 L 7.77 4.05 0.00 1.75 1.84 0.98 0.91 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 0.00 184 N 8.15 4.30 0.00 2.94 2.97 0.00 0.00 6.86 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 0.00 185 D 8.54 4.43 0.00 2.83 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 0.00 186 F 8.21 4.30 0.00 3.22 3.25 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 0.00 187 Q 8.61 4.63 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.60 0.00 0.00 0.00 0.00 0.00 2.80 2.80 0.00 188 C 8.34 4.28 0.00 3.18 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 W 8.08 4.33 0.00 3.38 3.25 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 0.00 190 E 8.15 3.24 0.00 1.93 1.72 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 1.92 2.19 0.00 191 K 7.09 4.38 0.00 1.66 2.03 0.00 1.83 0.00 0.00 1.84 0.00 0.00 3.11 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.27 1.51 7.81 192 G 8.04 3.62 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 0.00 193 Q 8.51 3.95 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.49 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 * Residues marked with a * may have inaccurate shift predictions.