NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 39 F 4.6204 8.3244 122.8254 58.0634 40.6502 174.0812 40 D 4.3758 7.5052 127.4578 49.8901 41.2316 174.8249 41 P 4.1794 0.0000 0.0000 62.5654 32.1540 178.4481 *43 R 4.1320 8.1923 120.2122 57.7105 31.9820 176.3542 44 Y 3.8204 7.9234 117.9597 60.6310 38.7093 177.9524 45 A 4.1080 8.3459 121.7390 55.2604 18.5043 179.5675 46 R 3.6627 7.8652 116.6911 59.5040 29.9348 178.4617 47 E 3.8812 7.9675 117.5590 59.3162 29.5063 178.9335 48 L 4.1521 7.8504 118.2046 57.4205 41.9668 179.1499 49 W 4.6439 8.2271 128.3152 60.4814 30.7593 178.6956 50 F 4.2914 7.5492 115.2040 58.3495 38.4021 176.8389 *52 L 4.2197 7.8233 122.0071 55.2606 43.6508 177.8671 53 Q 3.7778 8.0423 116.7263 59.0433 28.7839 177.7124 54 D 4.5271 7.5518 118.8701 54.6961 38.1067 176.3444 *57 N 4.4633 7.9468 118.0895 52.6495 40.8995 175.4790 58 E 3.9858 7.5450 116.9071 55.5637 30.1213 175.7149 59 G 4.0074 8.0915 107.3663 45.4909 0.0000 173.0721 60 L 4.4201 8.4381 127.0080 53.5856 45.1294 175.2932 61 G 4.1682 8.6697 113.8471 44.7369 0.0000 173.0576 62 Y 4.3084 8.8469 120.1324 56.5752 39.1899 174.7331 63 D 4.6547 8.8388 120.9328 54.7989 42.0746 176.9728 64 A 4.1055 8.8052 129.6351 55.5060 18.4213 179.5560 65 V 3.5498 7.7686 116.0287 66.0249 31.7149 177.5695 66 E 3.9176 8.5092 119.0152 59.2701 29.4146 178.8287 67 V 3.0017 7.4721 118.0141 65.9745 31.6052 177.9385 68 L 4.0452 8.0652 118.5990 57.9189 41.5210 179.2676 69 N 4.4002 8.5320 116.6936 56.7710 38.4920 177.6264 70 T 4.0234 8.2145 117.0806 66.5505 68.3268 176.7530 71 L 4.0820 8.1285 120.3992 58.0620 41.7275 179.0748 72 D 4.5656 8.1452 117.8277 57.0536 40.7877 178.0443 73 E 4.3974 8.0398 119.0493 57.9423 30.7824 176.2692 74 N 4.6358 8.5811 116.2039 51.1299 40.7808 172.5028 75 P 4.2631 0.0000 0.0000 65.0254 31.5940 177.6937 76 E 3.9355 8.1719 117.8970 58.9647 29.4146 178.3374 77 L 3.8789 7.7685 119.2302 57.9971 42.2141 178.4313 78 A 4.3342 7.8966 119.4526 55.6476 18.6867 178.8733 79 H 4.4289 8.3371 116.2519 58.5525 28.6204 178.0061 80 Q 3.8051 7.6166 114.1601 57.5493 28.4556 177.5237 *82 F 4.1951 7.9257 118.2379 56.5532 41.4459 175.1205 83 A 4.6964 7.2011 123.8681 49.9384 19.9766 175.6803 *85 V 4.0140 8.0853 113.8639 63.2576 32.8494 175.7658 86 V 4.3801 8.1781 124.6047 61.8269 34.5602 174.9482 87 G 3.8979 8.7008 115.4805 47.3586 0.0000 174.4709 88 V 4.3189 8.3703 118.7092 60.9011 32.1607 175.6523 89 S 4.4760 7.5225 114.9899 58.4469 63.5183 173.6733 90 N 4.6541 8.4114 115.7158 53.4118 38.5732 174.9688 91 Y 4.4855 7.4372 116.8769 57.4646 39.1678 175.2216 92 R 4.4460 9.0718 122.2377 54.6068 33.1266 174.1263 93 Y 4.9567 8.5009 121.9524 56.6526 39.8747 174.2936 94 Y 4.5916 8.9566 122.7350 56.0562 41.2053 174.7692 95 I 5.0500 8.4180 122.1313 59.3048 41.2578 173.9068 96 I 5.4194 9.2886 123.0829 59.2282 41.0791 174.3853 97 Q 4.6682 9.1733 121.0413 54.6799 32.4541 175.3024 98 G 3.9256 6.2077 106.2784 45.6190 0.0000 171.1931 99 V 4.8408 8.4254 118.8122 61.1024 34.1041 176.1555 100 G 4.4694 9.4740 114.0407 44.4734 0.0000 170.6075 101 E 5.2112 8.5148 121.0687 54.1453 32.0751 175.0154 102 I 4.2078 8.8068 128.6429 61.9355 37.5001 176.6177 103 V 4.0730 8.8257 127.8210 64.3581 32.9703 175.7421 104 E 4.7710 7.9139 119.1402 55.0472 32.9157 174.2226 105 I 4.6406 8.2622 126.1958 59.9772 39.4316 175.2501 *107 D 4.6706 8.6185 122.8753 53.8561 42.7201 176.3209 108 D 4.8763 9.0491 116.0374 51.7838 40.9704 176.5929 109 G 4.4250 7.1166 104.6814 46.7264 0.0000 171.5010 110 I 5.0695 7.9492 112.7944 59.0612 40.9243 174.6237 111 L 4.9957 8.9078 125.2345 54.3282 43.4644 176.0092 112 V 4.7669 8.2342 123.4105 60.8295 34.6591 175.4891 *114 V 4.3223 8.5761 110.1525 61.1725 33.4586 176.0251 115 R 4.6730 8.2754 118.1017 54.1262 33.3497 174.8941 116 E 4.2430 8.4331 119.6216 56.3116 30.6569 176.0869 117 N 4.3741 8.5365 114.9359 54.8321 38.0442 174.8979 118 R 4.3468 6.9772 117.9413 55.3102 29.7689 176.4356 *120 V 3.8868 8.0385 117.5105 61.1707 32.7926 173.3237 121 P 4.3454 0.0000 0.0000 63.4285 32.0148 177.3856 122 D 4.5877 8.7641 120.9007 56.8959 42.0881 176.3897 123 L 5.1270 8.0945 117.2362 52.7307 45.9942 175.7244 124 F 5.2670 9.2344 126.2691 56.7242 41.2262 174.7471 125 L 4.7626 8.8899 129.1922 53.7505 41.9662 176.2069 126 S 4.8660 7.8426 117.8853 55.8006 66.0446 173.6644 127 N 4.5913 8.2929 115.7777 53.1622 37.2060 176.3355 128 H 4.1654 7.1559 117.4634 54.6993 27.0309 172.7534 129 I 4.2074 6.9869 120.5732 59.2179 38.3875 175.3486 130 F 4.9051 8.0555 123.3347 56.4764 43.2067 177.2034 131 G 3.7852 8.6350 110.7076 46.2984 0.0000 173.9805 132 N 4.6920 8.5080 120.1707 52.9907 39.5404 176.5596 133 G 3.9271 8.2494 107.6356 48.1937 0.0000 176.0789 134 I 3.8067 7.6449 121.3574 64.4102 37.3770 178.8968 135 V 3.7590 7.6824 112.7150 64.3506 31.2056 178.3069 136 N 4.1457 8.1194 115.7254 55.9371 38.3523 177.0993 137 A 4.2454 7.9146 121.6765 54.9025 18.5753 179.0623 138 T 4.3042 7.9425 106.8878 61.5102 69.4961 176.0336 139 G 3.9423 7.8729 108.2868 46.1806 0.0000 174.5525 140 I 3.8364 7.7637 121.3976 62.9729 38.1698 175.7930 141 A 5.2454 7.8333 119.9515 49.5508 21.9465 175.4276 *144 E 4.2628 8.5326 116.1761 56.1484 31.5840 177.3814 145 D 4.1246 7.8491 118.5384 55.4331 41.2570 175.5589 146 F 4.8257 7.1602 117.2770 55.4493 41.7923 175.2777 147 D 4.5121 8.5266 122.8750 56.1899 41.1410 177.6558 148 R 4.7146 7.5280 116.5285 53.6458 34.8887 176.4910 149 I 3.7305 8.1618 122.2824 64.5319 37.1981 178.6614 150 I 3.6584 7.6784 119.0753 64.0658 37.9438 177.4916 151 D 4.3093 7.8791 119.4188 57.0531 40.5817 178.3583 152 F 2.8871 7.3603 120.7820 60.8828 39.3554 176.9678 153 N 3.9633 7.9446 115.9408 56.3145 38.3966 177.4600 154 L 3.9716 8.2022 120.6915 58.0084 41.5755 179.8146 155 T 3.9130 7.7920 115.2055 66.5364 68.4251 176.4371 156 A 3.8453 7.6983 122.6161 55.4368 18.0732 179.7541 157 T 3.7369 7.4523 112.9381 66.9198 68.6277 176.3864 158 E 4.0453 7.9588 119.0377 59.2912 29.7599 178.9067 159 L 4.0632 8.1616 120.6000 57.8333 41.8985 179.4414 160 N 4.1393 7.7175 114.5809 53.3096 38.6954 176.3885 *162 I 3.9553 7.7302 122.0950 61.5110 39.1104 179.6596 163 V 3.4125 6.9569 118.1632 63.0457 30.7237 177.6019 *165 E 4.1982 8.3631 119.1407 55.6080 31.0156 177.3961 166 E 4.4710 8.4882 115.0933 56.6889 30.5065 176.6769 167 V 4.2273 7.3517 116.2301 64.6196 33.3265 177.3488 168 V 3.5876 7.8342 117.4629 66.1880 31.4388 178.1064 169 N 4.3632 7.9580 114.8147 56.1157 38.5227 176.8373 170 S 4.2495 7.6124 114.0488 61.5548 62.7769 175.8462 171 F 4.3382 8.1924 122.8219 60.9852 39.0193 177.7313 172 L 4.2192 8.0112 117.3146 55.0506 41.3603 178.9277 *174 Q 4.2359 8.1403 119.3712 56.1043 30.6211 177.1933 175 L 3.7981 7.6623 118.1145 57.8990 41.6005 180.5426 176 S 4.2270 7.4737 114.2430 58.3085 61.4534 175.4190 *178 G 3.8154 8.2184 107.2532 44.8651 0.0000 175.3660 179 A 3.9242 8.2210 123.8045 54.6982 18.4652 177.6396 180 G 3.9601 7.0456 99.6660 46.0209 0.0000 171.4502 181 S 4.4529 8.1821 112.4306 56.9533 65.6383 173.4400 182 V 3.7456 8.2659 119.6342 65.2377 31.2388 176.2181 183 G 4.0775 9.2354 116.0091 45.6502 0.0000 174.0303 184 S 4.4505 8.1537 115.9536 58.5312 64.4252 173.2431 185 L 5.1221 8.4492 121.9258 53.7241 43.8772 175.9466 186 V 4.9496 9.0126 116.2389 59.4555 35.3091 174.9616 187 R 4.7064 9.1259 127.4888 56.1915 31.2695 175.2029 188 F 6.2352 8.7741 120.1453 54.2121 42.2233 173.4252 189 I 5.2447 8.6482 119.4387 59.7534 40.6223 174.3649 190 A 5.3225 9.5850 127.3793 50.6678 23.2782 175.0641 191 V 5.2346 8.9353 112.7106 59.8135 35.3686 175.0099 192 F 5.3852 8.7398 117.3857 56.0747 41.7788 173.0104 193 T 5.1341 8.8088 116.0009 61.9059 71.1876 173.4418 194 L 5.1021 8.9919 125.6277 51.8354 45.6998 177.2648 195 L 4.4651 8.6351 124.3315 55.1472 40.2809 178.2629 *197 D 4.5515 8.7483 115.9779 53.2383 42.1907 174.5287 198 E 4.2375 7.9386 120.9236 55.1475 30.3564 176.1319 199 E 4.0576 8.5150 125.2075 56.2840 30.0719 177.1068 200 I 3.7630 7.9142 123.8695 61.1007 38.1352 174.6590 *202 Y 4.3962 7.9001 117.9568 57.1163 38.6921 173.7065 203 P 4.9169 0.0000 0.0000 62.3006 32.5234 176.2126 204 I 3.7815 8.5253 125.0109 60.9219 38.1257 174.8248 205 E 4.8212 8.7705 128.7204 55.9339 30.3684 175.5104 206 A 5.0027 8.8867 127.7024 50.3639 23.4452 174.6336 207 I 4.5088 8.8771 122.3885 59.1394 38.7730 173.5080 208 P 4.9105 0.0000 0.0000 62.8897 31.4498 176.2314 209 L 4.7435 9.3542 123.6949 55.6225 43.3688 176.2332 210 Y 4.9507 7.8413 119.7561 56.2132 42.4646 173.6838 211 L 4.7885 7.6391 125.9904 53.2309 45.5278 175.0643 212 E 4.8120 8.5957 121.4092 54.6567 33.3247 174.7002 213 I 4.4025 8.7476 123.8395 61.5522 38.0512 175.7521 214 Q 4.3055 9.0911 127.4741 56.2383 28.7468 174.9368 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 39 F 8.32 4.62 0.00 3.00 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 D 7.51 4.38 0.00 2.65 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 0.00 0.00 0.00 41 P 0.00 4.18 0.00 2.29 2.45 0.00 3.67 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 *43 R 8.19 4.13 0.00 1.86 2.05 0.00 3.18 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 44 Y 7.92 3.82 0.00 3.15 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 45 A 8.35 4.11 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.87 3.66 0.00 1.81 1.98 0.00 3.21 0.00 0.00 3.00 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.27 0.00 47 E 7.97 3.88 0.00 1.91 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 2.35 2.41 0.00 48 L 7.85 4.15 0.00 1.92 1.87 1.33 1.00 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 49 W 8.23 4.64 0.00 3.36 3.06 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 0.00 0.00 0.00 50 F 7.55 4.29 0.00 3.19 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *52 L 7.82 4.22 0.00 1.80 1.93 0.97 1.08 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 53 Q 8.04 3.78 0.00 1.83 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 7.17 0.00 0.00 0.00 0.00 0.00 1.54 1.16 0.00 54 D 7.55 4.53 0.00 2.68 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 *57 N 7.95 4.46 0.00 2.79 2.83 0.00 0.00 7.14 7.66 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 58 E 7.54 3.99 0.00 2.01 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.19 0.00 59 G 8.09 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 0.00 0.00 0.00 60 L 8.44 4.42 0.00 1.47 1.44 0.89 1.17 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 61 G 8.67 4.17 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 0.00 0.00 0.00 62 Y 8.85 4.31 0.00 3.02 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 63 D 8.84 4.65 0.00 2.82 2.62 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 64 A 8.81 4.11 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 65 V 7.77 3.55 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 1.14 0.00 0.00 1.00 0.00 0.00 66 E 8.51 3.92 0.00 2.21 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 2.43 2.44 0.00 67 V 7.47 3.00 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 1.15 0.00 0.00 0.20 0.00 0.00 68 L 8.07 4.05 0.00 1.80 1.84 1.05 0.55 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 69 N 8.53 4.40 0.00 2.96 2.91 0.00 0.00 7.05 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.21 4.02 4.69 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 1.36 0.00 0.00 71 L 8.13 4.08 0.00 1.83 1.74 0.80 1.39 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 72 D 8.15 4.57 0.00 2.89 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 73 E 8.04 4.40 0.00 2.03 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 0.00 2.34 2.33 0.00 74 N 8.58 4.64 0.00 2.67 2.65 0.00 0.00 7.24 7.59 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 75 P 0.00 4.26 0.00 2.18 2.07 0.00 3.66 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 2.12 2.35 0.00 76 E 8.17 3.94 0.00 2.09 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 2.39 2.44 0.00 77 L 7.77 3.88 0.00 1.60 1.88 0.85 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 78 A 7.90 4.33 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 0.00 0.00 0.00 0.00 0.00 0.00 79 H 8.34 4.43 0.00 3.28 3.32 0.00 5.64 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 80 Q 7.62 3.81 0.00 2.21 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.53 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 *82 F 7.93 4.20 0.00 3.18 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 83 A 7.20 4.70 0.41 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 *85 V 8.09 4.01 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 0.89 0.00 0.00 0.94 0.00 0.00 86 V 8.18 4.38 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 0.98 0.00 0.00 0.81 0.00 0.00 87 G 8.70 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 0.00 0.00 0.00 88 V 8.37 4.32 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 0.81 0.00 0.00 0.96 0.00 0.00 89 S 7.52 4.48 0.00 4.31 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 90 N 8.41 4.65 0.00 2.45 2.68 0.00 0.00 6.91 7.46 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 91 Y 7.44 4.49 0.00 2.77 2.39 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 0.00 92 R 9.07 4.45 0.00 1.62 1.64 0.00 3.15 0.00 0.00 3.08 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.19 0.00 93 Y 8.50 4.96 0.00 2.92 2.96 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 94 Y 8.96 4.59 0.00 1.52 2.19 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 95 I 8.42 5.05 1.97 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.74 1.01 0.00 0.00 96 I 9.29 5.42 2.11 0.00 0.00 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 1.72 1.42 1.16 0.00 0.00 97 Q 9.17 4.67 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.73 0.00 0.00 0.00 0.00 0.00 2.29 2.18 0.00 98 G 6.21 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 0.00 0.00 0.00 99 V 8.43 4.84 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 0.89 0.00 0.00 0.92 0.00 0.00 100 G 9.47 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 E 8.51 5.21 0.00 2.09 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.50 0.00 102 I 8.81 4.21 2.08 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.77 0.96 0.00 0.00 103 V 8.83 4.07 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 0.71 0.00 0.00 1.01 0.00 0.00 104 E 7.91 4.77 0.00 2.04 1.70 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 2.28 2.33 0.00 105 I 8.26 4.64 1.88 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 1.38 0.77 0.93 0.00 0.00 *107 D 8.62 4.67 0.00 2.73 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 0.00 108 D 9.05 4.88 0.00 2.76 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 G 7.12 4.43 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 0.00 110 I 7.95 5.07 1.96 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.29 1.05 0.00 0.00 111 L 8.91 5.00 0.00 1.64 1.64 0.86 0.87 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 0.00 112 V 8.23 4.77 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 1.31 0.00 0.00 0.89 0.00 0.00 *114 V 8.58 4.32 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 0.97 0.00 0.00 1.07 0.00 0.00 115 R 8.28 4.67 0.00 1.70 1.75 0.00 3.18 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 116 E 8.43 4.24 0.00 1.99 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 2.38 2.23 0.00 117 N 8.54 4.37 0.00 2.80 2.85 0.00 0.00 6.93 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 R 6.98 4.35 0.00 1.88 1.53 0.00 3.20 0.00 0.00 3.11 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 *120 V 8.04 3.89 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 0.70 0.00 0.00 0.96 0.00 0.00 121 P 0.00 4.35 0.00 2.18 1.99 0.00 3.57 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.12 0.00 122 D 8.76 4.59 0.00 2.61 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 0.00 123 L 8.09 5.13 0.00 1.40 1.32 0.60 0.60 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 0.00 124 F 9.23 5.27 0.00 2.92 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 L 8.89 4.76 0.00 1.47 1.43 0.55 0.27 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 0.00 126 S 7.84 4.87 0.00 3.38 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 N 8.29 4.59 0.00 2.68 2.81 0.00 0.00 6.99 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 0.00 128 H 7.16 4.17 0.00 3.35 3.37 0.00 5.62 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 I 6.99 4.21 1.66 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.46 0.86 0.00 0.00 130 F 8.06 4.91 0.00 2.90 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 0.00 131 G 8.63 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 0.00 132 N 8.51 4.69 0.00 2.69 2.73 0.00 0.00 6.73 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 G 8.25 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 0.00 0.00 0.00 134 I 7.64 3.81 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 1.69 0.81 1.00 0.00 0.00 135 V 7.68 3.76 2.42 0.00 0.00 0.00 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 0.96 0.00 0.00 136 N 8.12 4.15 0.00 1.69 1.42 0.00 0.00 7.00 8.21 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 0.00 137 A 7.91 4.25 1.49 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 0.00 0.00 138 T 7.94 4.30 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 1.32 0.00 0.00 139 G 7.87 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 0.00 140 I 7.76 3.84 1.95 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 1.45 0.82 1.04 0.00 0.00 141 A 7.83 5.25 1.67 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 *144 E 8.53 4.26 0.00 2.13 2.20 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 2.19 2.27 0.00 145 D 7.85 4.12 0.00 2.03 2.30 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 0.00 146 F 7.16 4.83 0.00 2.64 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 0.00 147 D 8.53 4.51 0.00 2.85 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 0.00 148 R 7.53 4.71 0.00 1.78 1.72 0.00 3.11 0.00 0.00 3.32 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.73 0.00 149 I 8.16 3.73 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 1.53 0.80 0.94 0.00 0.00 150 I 7.68 3.66 1.85 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 1.63 1.20 0.88 0.00 0.00 151 D 7.88 4.31 0.00 2.53 1.69 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 0.00 152 F 7.36 2.89 0.00 2.37 2.92 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 0.00 153 N 7.94 3.96 0.00 2.81 2.72 0.00 0.00 7.10 6.25 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 0.00 154 L 8.20 3.97 0.00 1.70 1.74 0.96 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 155 T 7.79 3.91 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 156 A 7.70 3.85 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 T 7.45 3.74 4.37 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 1.17 0.00 0.00 158 E 7.96 4.05 0.00 2.09 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 2.50 2.45 0.00 159 L 8.16 4.06 0.00 1.77 1.64 1.02 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 160 N 7.72 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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 0.00 171 F 8.19 4.34 0.00 3.29 3.18 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 0.00 172 L 8.01 4.22 0.00 1.90 1.66 0.96 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 *174 Q 8.14 4.24 0.00 2.18 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.45 6.90 0.00 0.00 0.00 0.00 0.00 2.25 2.12 0.00 175 L 7.66 3.80 0.00 1.68 1.64 0.86 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 176 S 7.47 4.23 0.00 3.80 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 *178 G 8.22 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 0.00 0.00 0.00 179 A 8.22 3.92 1.17 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 0.00 0.00 180 G 7.05 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 0.00 181 S 8.18 4.45 0.00 3.98 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 0.00 182 V 8.27 3.75 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 0.86 0.00 0.00 0.95 0.00 0.00 183 G 9.24 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 184 S 8.15 4.45 0.00 3.94 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 L 8.45 5.12 0.00 1.65 1.63 0.96 0.93 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 0.00 186 V 9.01 4.95 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 1.07 0.00 0.00 187 R 9.13 4.71 0.00 1.96 1.95 0.00 3.03 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 188 F 8.77 6.24 0.00 3.05 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 I 8.65 5.24 2.04 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.81 1.05 0.00 0.00 190 A 9.58 5.32 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 0.00 191 V 8.94 5.23 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 0.85 0.00 0.00 1.11 0.00 0.00 192 F 8.74 5.39 0.00 3.22 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 0.00 193 T 8.81 5.13 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 194 L 8.99 5.10 0.00 1.78 1.65 0.99 0.61 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 0.00 195 L 8.64 4.47 0.00 1.59 0.75 -0.02 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 *197 D 8.75 4.55 0.00 2.71 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 0.00 198 E 7.94 4.24 0.00 1.93 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 2.30 2.27 0.00 199 E 8.51 4.06 0.00 2.24 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 1.90 0.00 200 I 7.91 3.76 1.80 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 1.32 0.20 0.41 0.00 0.00 *202 Y 7.90 4.40 0.00 2.97 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 0.00 203 P 0.00 4.92 0.00 2.00 2.11 0.00 3.72 0.00 0.00 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 204 I 8.53 3.78 1.48 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 -0.06 -0.01 0.00 0.00 205 E 8.77 4.82 0.00 2.14 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 2.33 2.30 0.00 206 A 8.89 5.00 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 0.00 207 I 8.88 4.51 1.92 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.95 0.88 0.00 0.00 208 P 0.00 4.91 0.00 2.02 2.01 0.00 3.73 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.86 0.00 209 L 9.35 4.74 0.00 1.69 2.03 1.06 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 210 Y 7.84 4.95 0.00 3.06 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 0.00 211 L 7.64 4.79 0.00 0.96 0.13 0.40 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 212 E 8.60 4.81 0.00 2.07 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 2.19 2.16 0.00 213 I 8.75 4.40 1.96 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 1.28 0.60 0.96 0.00 0.00 214 Q 9.09 4.31 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.55 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 * Residues marked with a * may have inaccurate shift predictions.