NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 P 4.4016 0.0000 0.0000 62.5135 31.5064 175.1372 8 R 4.4822 8.0646 117.7618 54.4782 33.1605 171.3155 9 L 5.0738 8.2496 121.3164 53.6932 44.4368 176.9964 10 S 4.4922 8.6484 120.3267 58.1590 66.6702 172.5687 11 R 5.0950 8.3700 117.2904 55.7935 34.0999 174.5726 12 I 4.8285 8.3031 115.9281 58.3918 41.6861 174.8589 13 A 4.3366 8.6047 125.5903 52.5119 19.0621 179.0816 14 I 3.6935 8.7726 123.5919 64.3859 37.2789 177.9009 15 D 4.6260 8.0587 116.5237 54.3943 39.2458 176.5083 16 K 4.3769 7.4920 118.6115 56.4042 33.1934 176.2975 17 L 4.1158 7.6140 120.4485 54.4946 42.3709 176.9020 18 R 4.3143 9.0937 124.5867 54.4770 30.8506 174.7343 19 P 4.9567 0.0000 0.0000 63.2626 32.3670 176.0809 20 T 5.2030 8.9554 107.1210 61.2745 70.8645 172.7861 21 Q 5.2102 8.0701 118.2641 53.9657 31.6933 175.0338 22 I 4.1558 8.4313 120.2614 63.3827 38.4837 175.7739 23 A 5.9400 7.8836 120.6347 49.3428 22.3997 175.4073 24 V 4.7394 8.4159 111.7784 59.3984 37.2972 175.1385 25 G 4.2292 9.0472 110.4123 44.8509 0.0000 174.8125 26 F 4.4993 9.4792 126.6520 60.2355 38.7387 177.8727 27 R 3.8626 8.1368 118.6810 59.3712 29.8801 178.2078 28 E 3.8886 8.1802 118.7160 59.0344 29.6734 178.8500 29 V 3.6242 7.7105 118.0230 66.0266 31.6922 177.8462 30 E 3.9599 8.3298 118.4079 59.4972 29.1490 179.4194 31 L 4.0232 8.2158 119.1993 57.6816 41.5857 179.7562 32 K 4.0615 8.2054 118.5872 59.3960 31.9429 179.1961 33 R 3.9775 8.0733 118.4022 59.5436 29.9649 179.0557 34 K 4.1878 8.1779 117.8140 60.0920 31.9508 177.8835 35 E 4.2456 8.5086 120.2503 56.8859 29.0042 178.6298 36 W 4.3504 8.1646 132.5862 60.7685 31.3833 178.4207 37 R 3.9733 8.4714 118.2908 59.3714 29.8834 178.0945 38 E 4.1012 7.7735 116.6113 59.8453 29.9531 177.4051 39 T 4.3055 7.5037 111.3344 60.5744 69.8614 174.9583 *49 G 3.7853 8.4984 103.1598 45.4981 0.0000 172.5202 50 N 4.6831 8.0719 115.4513 52.8173 39.8617 175.0943 51 H 4.4307 8.6919 117.8595 56.1057 29.8706 174.5576 52 I 4.9624 8.3268 122.8413 59.5971 40.7075 175.3337 53 V 4.5600 7.8327 120.7304 59.6859 35.0520 172.2639 54 P 5.1611 0.0000 0.0000 62.6196 33.1332 175.2744 55 V 5.0945 8.5685 120.1638 60.3065 35.6775 174.0346 56 V 4.8266 9.2662 121.4143 60.9515 34.5602 174.3237 57 A 4.6322 9.0268 130.5477 51.9523 19.4458 176.8238 58 G 4.0439 8.5928 113.3191 42.8602 0.0000 170.0009 59 P 3.8554 0.0000 0.0000 63.6382 32.2291 177.2211 60 K 4.0075 8.4003 120.5825 56.8094 29.5157 175.8896 61 D 4.5425 8.6094 119.9883 55.9158 41.4697 176.5675 62 R 3.8794 7.3997 118.4694 56.9922 31.2819 175.3803 63 A 4.7504 8.5641 125.7250 51.4842 20.3720 175.2373 64 Y 4.9091 9.1203 121.4092 56.1382 40.3844 174.9019 65 L 4.7139 9.3508 128.2438 54.9199 41.9793 176.3905 66 I 4.4038 8.7384 120.6734 62.4658 38.9009 174.7264 67 D 4.5924 7.7108 119.4550 54.8593 43.9653 172.7856 68 H 4.1470 9.4694 111.8432 57.9924 26.4847 177.0121 69 H 4.2981 8.4027 118.2342 59.0901 28.8296 176.7662 70 H 4.1228 8.3904 117.6833 59.0585 28.6373 177.3534 71 L 3.9159 7.9435 121.3285 58.1910 42.0206 179.0163 72 V 3.5138 7.8135 118.2623 65.7180 31.3638 177.8285 73 L 3.9043 8.5472 120.4334 57.9530 41.3923 178.7475 74 A 3.9001 8.3111 121.1977 55.0497 18.2420 179.6756 75 L 3.6014 7.6268 117.6151 57.6330 41.6473 179.5282 76 S 4.0275 7.8695 113.0997 61.4337 62.1972 176.4271 77 K 4.1234 8.0648 119.3132 58.4488 31.7976 178.0868 78 E 4.5049 7.4568 116.3971 55.8228 29.6740 176.8067 79 G 3.8949 7.8189 107.4173 45.3225 0.0000 174.1117 80 V 3.7450 7.4558 119.4043 62.6699 32.3203 176.0116 81 E 4.0296 8.9007 126.7301 59.1272 29.7782 175.7581 82 H 5.5211 7.6242 111.9935 54.1854 32.4430 173.0754 83 V 4.4351 8.1495 115.9855 60.6143 34.2401 173.7998 84 L 4.4700 8.1455 123.5958 55.7416 43.1563 175.8165 85 T 4.8938 8.4227 108.8124 60.9598 72.8649 172.5584 86 S 4.8619 8.7419 117.3469 56.4599 65.3011 172.3766 87 E 4.6773 8.3274 129.5190 55.9564 29.7108 176.4020 88 V 4.3704 8.3196 119.2314 60.2741 32.8432 175.7832 89 A 4.4265 7.1472 125.0880 51.5833 21.4508 175.8088 90 K 4.6028 8.2671 121.5669 55.0847 34.1705 177.3775 91 F 5.2121 8.8318 119.3855 58.5259 42.0198 175.9758 92 S 4.4330 8.2584 113.8895 59.6355 62.6633 174.1084 93 H 4.6830 8.2242 115.5537 55.7987 28.9080 174.7031 94 L 4.5538 7.2875 120.0904 53.0130 43.5633 177.1332 95 G 3.8226 8.2421 108.3607 44.1728 0.0000 174.5517 96 K 3.7474 8.5952 119.1773 59.8620 32.0267 178.8487 97 D 4.5060 8.1831 117.9263 57.6602 40.8230 178.4508 98 E 3.8491 8.3558 118.7270 60.2089 29.4479 178.4404 99 F 3.7058 7.6777 117.8200 61.3088 39.6115 177.1239 100 W 4.1115 7.8408 118.6565 59.5725 29.2423 178.0158 101 S 4.2568 8.1132 113.1783 61.4732 61.6860 178.0625 102 V 3.6716 7.9292 119.2176 63.0733 30.9659 177.2263 *104 D 4.5269 8.0722 116.3441 54.1179 42.8177 176.7564 105 H 3.8659 8.3656 115.1121 59.1624 28.7504 176.5198 106 R 4.1232 8.4162 116.3958 56.1925 30.2231 175.4086 107 N 4.3537 8.6930 114.5045 55.8369 36.5771 174.4504 108 L 5.0047 8.0319 112.3350 54.2675 42.9391 176.7887 109 I 5.0514 7.7175 111.1700 59.4242 40.4836 174.8283 110 Y 4.2028 8.6643 123.1554 55.1780 39.0364 173.2316 111 P 4.5999 0.0000 0.0000 61.0648 30.8000 176.2927 112 F 4.7910 6.9901 116.8858 56.0632 42.5967 175.5167 113 D 4.7059 8.3348 123.7990 51.5460 41.1881 176.9070 114 A 4.0804 8.7241 121.9004 54.8311 18.2251 178.4196 115 Q 4.5680 8.3201 113.0117 55.1499 29.1243 175.6306 116 G 4.0485 8.3953 105.2519 46.5700 0.0000 173.6722 117 L 4.5765 8.6361 120.3817 52.5934 43.3928 176.2965 118 R 3.1402 8.6244 124.5674 56.8267 30.2954 175.5930 119 R 4.5378 8.1312 124.7842 54.3473 33.8909 175.2423 120 Q 4.2368 8.1763 118.5592 54.4108 30.5440 177.2576 121 S 3.6111 8.2990 115.4013 61.6034 62.7758 177.4322 122 G 3.4941 7.5618 107.4049 47.7615 0.0000 173.6597 123 D 4.5497 8.0023 118.4415 54.2305 41.1622 176.7137 124 I 3.7409 6.9882 121.9605 60.3215 37.4267 174.4893 125 P 4.4757 0.0000 0.0000 62.6467 31.8100 176.7363 126 K 4.2877 8.6142 120.1687 58.0570 32.8082 177.1003 127 N 5.0804 7.8048 115.1988 50.7680 41.6643 174.9151 128 I 3.5792 8.3391 121.1217 64.7143 37.9484 176.8065 129 H 4.7803 7.5834 113.7142 56.2256 28.5267 175.1042 130 D 4.8213 7.8752 118.5464 53.9600 41.0644 176.5994 131 L 4.3702 7.6257 120.5584 55.0287 42.0501 177.1467 132 E 4.1771 9.4168 124.3234 56.2549 30.9744 175.4799 133 D 4.3816 8.0427 123.1818 53.4070 42.2237 174.7483 134 D 4.9836 8.9989 127.1772 52.2477 42.5223 175.2916 135 P 4.3912 0.0000 0.0000 65.7480 31.6764 178.2981 136 F 4.4724 8.6709 117.2814 59.8805 38.6967 177.4455 137 R 3.9029 8.1969 118.5582 59.1270 29.8229 178.7063 138 S 4.1510 7.9345 114.7238 61.4998 63.0316 176.0507 139 L 4.1631 8.5983 123.2099 58.3046 41.8071 178.9408 140 A 4.2800 8.3865 120.8716 55.3758 18.0960 178.8719 141 G 3.6678 8.2281 102.2880 48.7777 0.0000 174.8148 142 A 4.1590 8.3859 124.1982 54.5647 18.9436 179.2431 143 L 4.0362 8.0505 118.6065 57.9426 42.0984 180.0152 144 R 3.2019 7.5776 118.1145 55.8321 29.7675 177.5059 *146 A 4.1010 8.0641 119.2134 50.6756 20.3472 178.1468 147 G 4.0430 8.0634 104.8403 45.2088 0.0000 175.4602 148 G 3.5182 7.8705 111.2061 48.2662 0.0000 173.4136 149 Y 4.6043 6.6618 114.5607 56.1950 40.4366 173.2714 150 A 4.5771 8.5703 121.9749 50.0411 20.2719 177.5675 151 K 4.1351 8.5401 121.6634 57.2923 32.8812 176.4048 152 V 4.5182 7.9993 120.7626 60.5648 34.2127 174.2592 153 I 3.9275 8.4092 113.8286 63.3757 37.9857 176.7465 154 I 3.5659 7.7395 120.0149 60.4910 37.3352 173.3928 155 P 4.1384 0.0000 0.0000 63.7203 32.0706 175.9435 156 F 3.9124 8.2895 118.6021 59.1752 36.2504 177.4559 157 S 4.1726 8.3009 116.3790 61.7803 62.1905 174.9878 158 E 4.1791 8.3399 120.7172 59.6619 29.1767 179.2749 159 F 4.2520 8.3219 117.8381 60.0639 38.7340 177.8993 160 G 3.6629 8.0334 105.4039 47.6576 0.0000 175.8508 161 W 3.9737 8.2429 120.5938 59.3839 29.2208 178.3472 162 A 4.3665 8.6064 121.1101 55.3011 17.4989 179.5143 163 D 4.2555 8.4420 117.5433 57.4136 40.7021 178.5414 164 F 4.1755 7.7575 119.9241 61.5301 39.6146 176.9567 165 L 4.0733 8.3451 118.4777 57.6373 41.2188 179.3791 166 R 2.0000 7.3944 117.6189 57.8816 29.9410 177.7436 167 R 4.2409 7.0000 114.2297 56.5196 30.4954 176.8277 168 R 4.5482 7.8463 115.5097 55.3324 32.5386 174.9570 169 I 4.5850 7.4492 118.5265 58.3142 40.8949 174.9843 170 D 4.4191 8.8925 124.3065 54.7000 42.1170 176.8572 171 R 4.0446 8.9529 126.5155 59.8437 30.1007 178.2483 172 D 4.3218 8.1030 117.9666 57.2654 40.9946 178.0320 173 L 3.9336 9.7431 121.2445 58.1747 41.7920 178.6249 174 L 3.8271 7.8498 118.8622 58.5647 42.0618 179.0148 175 S 4.2926 8.1881 113.7509 61.4351 62.7788 175.9184 176 D 4.8663 8.0823 120.7976 55.5162 41.3945 176.5255 177 S 4.3809 8.1685 114.5668 56.0815 63.8510 174.0739 178 F 3.9661 8.9778 130.5526 61.1436 39.4131 176.2487 179 D 4.4320 8.3761 118.1349 57.7468 40.6275 178.5114 180 D 4.3161 7.8859 118.5458 57.4442 40.7887 178.8510 181 A 3.8938 7.6993 120.7989 55.0135 18.1057 179.4700 182 L 3.6911 7.6728 117.8421 58.0529 42.2316 178.4505 183 A 4.1391 8.1774 119.9505 55.4347 18.5192 179.1264 184 E 4.1259 8.1948 116.5957 59.3189 29.5702 180.6635 185 A 4.4445 8.1345 120.0938 52.2416 18.3083 179.1977 *187 K 4.3509 8.0980 124.2522 58.1023 34.3317 177.9489 188 L 4.1196 8.4669 118.6709 57.7531 41.8077 178.8761 189 A 4.4994 8.7413 120.9059 55.3365 18.2501 178.2929 190 K 4.3485 7.7877 111.9362 56.4090 32.7926 176.6796 191 S 5.0341 8.4824 115.4413 56.2450 65.1055 175.5510 192 R 3.8713 8.6349 118.0423 58.9240 29.3548 178.5952 193 E 3.9061 7.8610 117.2776 59.4108 29.6308 177.7063 194 A 3.4498 8.0348 119.1295 52.0925 18.6053 178.8641 195 R 2.5100 7.0678 117.6143 58.4664 29.9659 177.1086 196 H 4.3656 7.3538 111.0419 56.2163 29.6098 175.5768 197 L 3.7678 7.0195 121.7751 53.1193 41.9151 174.6060 198 P 4.1839 0.0000 0.0000 64.5912 31.7002 176.5966 199 G 4.1100 9.2256 110.1353 45.1010 0.0000 172.7488 200 W 4.8152 7.7455 127.6782 57.7241 31.2451 176.1372 201 C 4.2962 6.9438 123.2938 57.3850 31.1711 172.3208 202 G 3.3804 5.3800 111.1163 42.4820 0.0000 169.4083 203 V 3.7143 8.1062 118.9648 62.6343 31.9962 175.7806 204 E 4.4680 8.8569 125.4303 56.8628 29.4336 176.4986 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 7 P 0.00 4.40 0.00 2.06 2.06 0.00 3.65 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 1.92 2.07 0.00 8 R 8.06 4.48 0.00 1.91 1.99 0.00 2.92 0.00 0.00 3.30 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 9 L 8.25 5.07 0.00 1.63 1.57 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 10 S 8.65 4.49 0.00 3.88 3.86 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 11 R 8.37 5.09 0.00 1.66 1.82 0.00 3.28 0.00 0.00 3.47 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 12 I 8.30 4.83 1.86 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 1.14 0.98 0.90 0.00 0.00 13 A 8.60 4.34 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 14 I 8.77 3.69 1.82 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.71 0.86 0.00 0.00 15 D 8.06 4.63 0.00 2.85 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 16 K 7.49 4.38 0.00 1.83 1.83 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.51 7.81 17 L 7.61 4.12 0.00 1.73 1.55 0.88 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 18 R 9.09 4.31 0.00 0.67 1.56 0.00 3.41 0.00 0.00 3.13 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.98 0.00 19 P 0.00 4.96 0.00 2.25 2.21 0.00 3.87 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 2.36 2.20 0.00 20 T 8.96 5.20 4.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 21 Q 8.07 5.21 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 7.11 0.00 0.00 0.00 0.00 0.00 2.14 2.42 0.00 22 I 8.43 4.16 1.99 0.00 0.00 0.66 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 0.51 0.90 0.00 0.00 23 A 7.88 5.94 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 24 V 8.42 4.74 1.85 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 0.85 0.00 0.00 1.24 0.00 0.00 25 G 9.05 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 0.00 0.00 0.00 0.00 26 F 9.48 4.50 0.00 3.25 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 8.14 3.86 0.00 1.80 1.82 0.00 2.35 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.43 0.00 28 E 8.18 3.89 0.00 2.05 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 2.32 0.00 29 V 7.71 3.62 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 0.84 0.00 0.00 1.12 0.00 0.00 30 E 8.33 3.96 0.00 2.17 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 2.47 2.49 0.00 31 L 8.22 4.02 0.00 1.81 1.70 0.85 0.96 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 32 K 8.21 4.06 0.00 2.07 1.87 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.49 7.81 33 R 8.07 3.98 0.00 2.05 2.18 0.00 3.41 0.00 0.00 3.33 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 34 K 8.18 4.19 0.00 1.95 1.89 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.47 1.51 7.81 35 E 8.51 4.25 0.00 2.22 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 2.34 2.33 0.00 36 W 8.16 4.35 0.00 3.44 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 37 R 8.47 3.97 0.00 1.97 1.95 0.00 3.35 0.00 0.00 3.39 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 38 E 7.77 4.10 0.00 2.14 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 2.32 2.30 0.00 39 T 7.50 4.31 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 1.19 0.00 0.00 *49 G 8.50 3.79 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 0.00 50 N 8.07 4.68 0.00 2.76 2.81 0.00 0.00 7.21 8.16 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 51 H 8.69 4.43 0.00 3.09 3.18 0.00 5.75 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 I 8.33 4.96 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.61 0.94 0.00 0.00 53 V 7.83 4.56 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 0.73 0.00 0.00 0.88 0.00 0.00 54 P 0.00 5.16 0.00 2.21 2.26 0.00 3.82 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 2.17 2.06 0.00 55 V 8.57 5.09 2.13 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 0.72 0.00 0.00 1.03 0.00 0.00 56 V 9.27 4.83 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 74 A 8.31 3.90 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 75 L 7.63 3.60 0.00 1.77 1.47 0.23 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 76 S 7.87 4.03 0.00 3.86 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 77 K 8.06 4.12 0.00 1.80 1.80 0.00 1.57 0.00 0.00 1.53 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.42 7.81 78 E 7.46 4.50 0.00 2.05 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 2.45 2.59 0.00 79 G 7.82 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 80 V 7.46 3.74 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 0.74 0.00 0.00 0.70 0.00 0.00 81 E 8.90 4.03 0.00 2.06 1.63 0.00 0.00 0.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.27 0.00 133 D 8.04 4.38 0.00 1.58 1.68 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 0.00 134 D 9.00 4.98 0.00 3.02 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 P 0.00 4.39 0.00 2.10 2.23 0.00 3.67 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.15 0.00 136 F 8.67 4.47 0.00 3.45 3.40 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 0.00 137 R 8.20 3.90 0.00 2.05 2.19 0.00 2.57 0.00 0.00 2.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.62 0.00 138 S 7.93 4.15 0.00 4.10 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 0.00 139 L 8.60 4.16 0.00 1.61 1.88 0.45 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 140 A 8.39 4.28 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 0.00 0.00 0.00 0.00 0.00 141 G 8.23 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.39 4.16 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 L 8.05 4.04 0.00 2.03 1.75 0.89 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 144 R 7.58 3.20 0.00 1.14 1.58 0.00 2.94 0.00 0.00 2.96 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.66 0.00 *146 A 8.06 4.10 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 0.00 147 G 8.06 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 0.00 148 G 7.87 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 6.66 4.60 0.00 2.82 2.33 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 0.00 150 A 8.57 4.58 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 0.00 151 K 8.54 4.14 0.00 1.60 1.77 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.40 7.81 152 V 8.00 4.52 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 0.79 0.00 0.00 1.01 0.00 0.00 153 I 8.41 3.93 1.89 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 1.44 0.62 0.92 0.00 0.00 154 I 7.74 3.57 1.93 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.44 0.97 0.00 0.00 155 P 0.00 4.14 0.00 2.24 1.93 0.00 3.91 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 2.12 2.05 0.00 156 F 8.29 3.91 0.00 3.37 2.77 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 0.00 157 S 8.30 4.17 0.00 4.16 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 0.00 158 E 8.34 4.18 0.00 1.97 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 2.40 2.63 0.00 159 F 8.32 4.25 0.00 2.99 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 0.00 160 G 8.03 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.24 3.97 0.00 3.39 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 0.00 162 A 8.61 4.37 1.56 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 0.00 0.00 163 D 8.44 4.26 0.00 2.73 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 0.00 164 F 7.76 4.18 0.00 2.70 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 0.00 165 L 8.35 4.07 0.00 2.08 2.00 1.23 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 166 R 7.39 2.00 0.00 0.67 1.75 0.00 3.12 0.00 0.00 3.28 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.21 0.00 167 R 7.00 4.24 0.00 1.81 1.79 0.00 3.09 0.00 0.00 3.14 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.51 0.00 168 R 7.85 4.55 0.00 1.37 1.70 0.00 2.21 0.00 0.00 2.73 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.29 0.00 169 I 7.45 4.59 2.27 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 1.61 0.61 1.04 0.00 0.00 170 D 8.89 4.42 0.00 2.74 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 0.00 171 R 8.95 4.04 0.00 2.06 2.02 0.00 3.31 0.00 0.00 3.45 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.09 0.00 172 D 8.10 4.32 0.00 3.04 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 0.00 173 L 9.74 3.93 0.00 1.82 1.88 0.91 0.52 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 0.00 174 L 7.85 3.83 0.00 1.60 1.63 0.05 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 175 S 8.19 4.29 0.00 3.88 3.93 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 0.00 176 D 8.08 4.87 0.00 2.79 2.74 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 0.00 177 S 8.17 4.38 0.00 3.83 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 0.00 178 F 8.98 3.97 0.00 3.23 3.10 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 0.00 179 D 8.38 4.43 0.00 2.76 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 0.00 180 D 7.89 4.32 0.00 2.78 2.71 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 0.00 181 A 7.70 3.89 1.10 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 0.00 0.00 182 L 7.67 3.69 0.00 1.60 1.70 0.96 0.91 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 0.00 183 A 8.18 4.14 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 E 8.19 4.13 0.00 2.25 2.04 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 2.34 2.46 0.00 185 A 8.13 4.44 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 *187 K 8.10 4.35 0.00 1.87 2.07 0.00 1.77 0.00 0.00 1.85 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.46 1.54 7.81 188 L 8.47 4.12 0.00 2.18 2.13 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 189 A 8.74 4.50 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 0.00 190 K 7.79 4.35 0.00 1.95 1.87 0.00 1.62 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.51 7.81 191 S 8.48 5.03 0.00 4.12 4.36 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 0.00 192 R 8.63 3.87 0.00 1.92 2.25 0.00 2.96 0.00 0.00 3.36 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.68 0.00 193 E 7.86 3.91 0.00 2.16 2.35 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 2.40 2.32 0.00 194 A 8.03 3.45 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 R 7.07 2.51 0.00 1.17 1.46 0.00 2.94 0.00 0.00 2.99 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 196 H 7.35 4.37 0.00 3.17 3.24 0.00 5.58 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 L 7.02 3.77 0.00 0.96 0.44 -1.56 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 198 P 0.00 4.18 0.00 2.32 2.13 0.00 3.44 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.98 0.00 199 G 9.23 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 0.00 0.00 0.00 200 W 7.75 4.82 0.00 3.48 3.22 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 0.00 0.00 0.00 201 C 6.94 4.30 0.00 2.72 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 202 G 5.38 3.38 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 0.00 203 V 8.11 3.71 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 0.88 0.00 0.00 0.93 0.00 0.00 204 E 8.86 4.47 0.00 2.11 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 2.68 2.50 0.00 * Residues marked with a * may have inaccurate shift predictions.