NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.3319 8.3144 120.1416 56.7430 33.4274 174.9008 3 Q 4.5037 8.5306 122.9318 54.6619 31.4964 171.8616 4 K 5.0868 8.0393 119.1003 54.2086 36.0237 174.0817 5 I 5.1932 9.0083 125.1561 59.1989 41.4480 173.6038 6 L 5.0932 8.5883 130.6490 53.6240 44.1239 174.9586 7 I 4.9483 8.7955 126.4753 59.5237 40.8186 174.6030 8 V 4.7614 8.7574 126.7081 61.4631 33.7987 173.7525 9 E 4.9834 9.1666 129.1523 55.3141 32.8406 175.2928 10 D 4.5331 8.9372 126.1648 54.4279 40.6474 176.6499 11 S 4.2709 8.3585 115.6369 58.2923 63.5258 173.6972 *13 T 4.2754 8.4212 114.9950 63.9994 69.9960 176.6592 14 I 3.8657 7.7966 120.3292 64.3615 37.5202 177.7363 15 R 4.0350 8.3136 120.6840 59.5436 30.0733 179.3489 16 R 4.3110 7.4005 116.3026 56.4641 29.6019 178.6644 *18 L 4.2570 8.0940 119.7440 55.0488 43.8463 179.4699 19 I 3.6489 8.0187 119.3309 64.3447 36.9839 178.0772 20 Q 3.9039 8.3267 120.3784 59.3150 28.8876 178.4310 21 A 3.9751 7.8770 121.0659 55.2852 18.5967 179.5553 22 I 3.6750 7.9707 118.2045 64.3659 36.9306 178.5718 23 A 3.9837 8.0426 121.1267 55.0465 18.2419 179.0960 24 Q 4.0678 7.8899 117.3619 58.1793 29.3244 176.5396 25 Q 4.4869 7.9887 116.0011 55.5214 30.2376 174.8145 26 T 4.6479 7.6634 107.0783 59.8045 71.7801 173.5347 27 G 3.9162 8.3830 108.2880 45.4839 0.0000 173.6030 28 L 4.4429 7.4816 119.6008 53.6886 42.7777 176.8642 29 E 4.2524 8.8976 122.4653 56.4014 30.9464 175.9095 30 I 5.0401 8.2203 123.0026 59.7198 40.4490 174.3363 31 D 4.8648 9.1809 127.1244 52.4771 42.8180 175.3428 32 A 5.1216 7.9578 124.6575 50.1468 22.0682 174.9980 33 F 5.0145 9.0562 118.6261 56.0599 43.7589 175.1217 34 D 5.1375 9.2790 119.6160 53.0731 40.0116 176.0775 35 T 4.7140 7.3929 108.6145 59.8792 72.0698 173.5323 36 L 3.9790 8.8030 124.4698 58.2117 42.6327 178.6944 37 E 3.7922 8.7734 119.6919 59.1309 29.6328 179.0750 38 G 3.3491 7.8424 106.5633 47.8596 0.0000 173.8047 39 A 3.7370 7.5367 121.5479 51.5832 19.1572 178.6841 40 R 3.7670 7.3439 118.9249 60.6626 29.9713 177.7388 41 H 4.7316 7.7310 110.1873 55.5955 29.3178 175.2568 42 C 4.2763 7.7065 121.4500 60.8492 28.5335 173.6983 43 Q 4.7045 8.8583 122.8661 52.9140 29.9270 173.6963 44 G 4.0283 9.1341 111.1789 47.1546 0.0000 174.4796 45 D 4.6529 8.1077 116.4418 54.1870 39.8461 176.4232 46 E 4.2910 8.3279 119.6116 56.6843 30.7278 175.0210 47 Y 5.0275 7.1772 115.5136 55.8084 39.9559 175.9692 48 V 3.8143 8.9985 125.7773 65.6604 32.1068 176.2421 49 V 4.6470 7.3350 115.5978 60.8577 34.4289 171.4015 50 A 5.1275 8.5867 123.8286 50.1880 21.7782 175.2609 51 L 4.7742 8.9748 123.8336 53.8036 43.3655 176.1378 52 V 4.4894 8.7542 124.7244 60.6692 34.0832 174.3021 53 D 4.8417 8.7962 128.6969 54.5494 41.3843 176.2914 54 L 4.2542 8.2371 124.7650 55.9559 42.5507 176.7616 55 T 4.6447 7.7029 109.0675 58.9128 67.7948 173.3405 56 L 4.7193 8.3399 128.7234 52.9139 44.3350 176.0807 57 P 4.2442 0.0000 0.0000 65.2276 31.2909 177.1048 58 D 4.8559 7.9558 113.3511 52.9329 40.2070 176.9900 59 A 4.7486 7.6780 123.1381 51.2478 19.7771 175.3666 60 P 4.5689 0.0000 0.0000 63.6913 32.6328 178.0999 61 S 4.3937 8.0220 115.8673 58.3405 63.6040 174.8384 62 G 3.8935 8.7520 106.4548 46.5684 0.0000 176.0975 63 E 4.0124 8.0318 120.7262 58.7535 29.3382 178.8869 64 A 3.9661 7.9012 120.6481 54.5513 18.4174 179.5714 65 V 3.4333 7.4659 116.9641 66.1140 31.5561 178.1408 66 K 3.8992 7.9185 118.7318 59.3996 31.6150 178.4845 67 V 3.5445 7.4174 118.4758 66.3184 31.4094 178.0667 68 L 4.0502 8.0060 118.3544 57.3610 41.4174 179.2656 69 L 4.2458 7.9034 120.4917 57.3590 41.4421 179.1892 70 E 4.1686 8.2602 116.1113 58.0746 29.3702 178.2885 71 R 4.4105 7.5612 117.2493 55.6790 29.9768 177.4114 72 G 3.9560 7.9593 106.8653 45.7784 0.0000 173.2129 73 L 4.5833 7.7296 120.2896 52.5277 43.3145 174.8002 74 P 4.4728 0.0000 0.0000 62.6716 32.9230 175.3165 75 V 4.8488 8.3418 122.0724 61.1044 34.8480 173.9606 76 V 4.7655 8.9877 128.0193 61.2161 33.7701 174.4810 77 I 4.3739 8.5021 129.1984 60.8385 37.7151 174.7380 78 L 5.0303 8.6338 127.3750 53.6786 43.2118 175.5728 79 T 4.7821 8.6658 118.1562 60.4083 69.9216 173.7884 80 A 4.2823 8.9658 131.3203 54.2318 19.0740 177.4532 81 D 4.9341 7.8519 112.6015 51.4603 42.5303 174.4568 82 I 4.4417 8.2580 120.5147 58.9785 40.7832 174.7278 83 S 4.7646 7.8385 121.8798 56.6242 67.3285 175.2617 84 E 3.9101 8.4823 119.8565 60.8750 29.4853 175.4204 85 D 4.7351 7.8220 117.2433 56.7927 41.1035 178.7362 86 K 3.4938 7.5604 119.4382 58.8184 32.1275 179.0269 87 R 3.2913 6.6277 117.9048 58.0483 29.2038 177.8096 88 E 3.8548 7.1371 118.2558 59.7635 29.5146 178.4514 89 A 4.2100 7.1552 120.5302 54.4703 18.6647 179.4486 90 W 4.4748 7.8282 117.6925 60.0531 29.2316 178.6243 91 L 4.0608 7.7115 116.6060 57.3382 41.2500 177.8372 92 E 4.3534 7.6840 117.8702 56.0767 29.6202 176.0051 93 A 4.5347 9.0688 120.7252 53.1657 20.8393 176.4478 94 G 3.3839 8.4457 103.9910 44.9711 0.0000 173.9259 95 V 3.8596 7.5901 120.8792 62.6302 32.2303 175.8983 96 L 4.2276 8.8811 127.8921 57.4909 42.1229 176.3392 97 D 4.7151 7.5319 115.8552 54.1030 44.5921 173.5888 98 Y 5.4089 8.5789 118.0144 55.3228 41.1589 175.5137 99 V 4.4379 8.7838 121.7731 61.4221 35.4632 176.7877 *101 K 4.3020 8.5908 117.6547 56.8178 33.7223 176.3372 102 D 4.5873 8.2986 118.7299 55.5548 40.2695 175.9928 103 S 4.5600 7.5216 113.6700 56.1824 67.2873 175.3019 104 R 3.8931 8.4712 122.3862 59.9683 29.6228 178.3175 105 H 4.3461 8.0684 113.4834 58.5823 28.8720 177.2532 106 S 4.2973 7.8738 117.0555 61.1361 62.9869 176.2197 107 L 4.0086 8.0081 122.6358 57.8418 41.2522 179.1968 108 Q 4.0345 8.0595 118.6939 59.1950 28.8198 177.8849 109 Y 4.0281 7.9831 120.2415 60.6682 38.6777 177.9343 110 A 3.9727 8.2934 121.6932 54.9140 18.5081 179.7748 111 V 3.5717 7.6636 116.4286 66.1598 31.7670 178.2818 112 G 3.5325 7.6669 105.4768 47.5729 0.0000 175.0832 113 L 3.7287 7.5713 122.7638 58.1249 42.0899 179.6354 114 V 3.7078 7.9897 112.4422 64.4733 31.5683 177.9478 115 H 4.1717 8.1434 117.8764 59.6013 29.6799 177.5835 116 R 3.9188 8.0881 119.6629 59.0610 29.6423 178.9930 117 L 3.9539 8.2315 118.4616 57.7673 41.4287 178.5344 118 Y 4.2416 8.1129 119.4157 60.8917 38.5264 178.3897 119 L 3.8493 7.8375 119.3809 57.6980 41.7180 179.1441 120 N 4.3464 8.2377 116.0127 55.6619 38.1675 177.2741 121 Q 4.1824 7.5831 120.2250 57.4588 28.7623 177.1069 122 Q 4.3730 7.2685 115.0232 55.7138 29.3852 174.8578 123 I 4.4695 7.5503 120.6016 59.8530 39.8968 174.2240 124 E 5.2462 8.6458 125.4702 54.8499 32.0899 175.3736 125 V 4.9527 8.9114 116.4137 59.4370 36.6446 174.1433 126 L 5.2064 8.8971 123.7504 53.3713 45.3765 175.0855 127 V 4.7533 8.7648 126.1279 61.1409 34.0259 174.2000 128 V 4.8222 8.5065 128.3826 61.4182 33.8708 173.8307 129 D 4.9604 8.7330 125.0342 53.7476 44.6666 176.0164 130 D 4.6651 9.1453 124.6081 54.4924 40.4193 177.0140 131 S 4.3945 8.5394 118.3632 57.5787 63.7456 174.5994 132 R 3.7690 8.6139 127.4218 59.6996 29.8429 178.5674 133 T 3.8975 7.7738 109.2748 64.7669 68.9593 176.6548 134 S 4.0530 7.9354 116.9050 60.9132 62.9843 176.1044 135 R 3.9006 8.1050 121.7956 59.5648 29.9520 177.8236 136 H 4.4129 8.2436 114.7912 58.9146 28.9368 177.5233 137 R 4.1293 8.3311 120.6774 59.5540 29.8657 179.7405 138 T 4.4692 8.0189 113.7950 63.8793 68.4876 176.1376 *140 A 4.2778 8.0082 125.8130 52.4580 20.6125 180.0401 141 Q 4.0676 8.3472 113.9263 59.1409 28.9758 178.6831 142 L 4.1509 8.2187 120.1713 57.8661 41.6664 179.7757 143 R 3.9358 7.9835 117.5022 59.0040 29.8298 178.5968 144 K 4.2475 7.7898 116.3065 58.0010 31.5357 178.0795 145 Q 4.3777 8.0305 118.3522 54.9851 28.2302 176.3292 146 L 3.7529 7.8073 119.1207 55.3482 39.8647 174.2819 147 L 4.4121 7.0737 118.7717 54.6334 42.7165 176.7278 148 Q 4.2476 8.6592 121.2325 55.4452 29.8864 175.1507 149 V 4.7551 8.2951 124.1007 61.4265 33.8973 174.2420 150 H 5.0699 9.4132 125.6383 54.1377 31.2213 173.7276 151 E 5.2870 8.7123 118.2782 54.6992 32.6908 174.9857 152 A 4.8436 8.8942 122.2245 50.9118 22.2748 177.1723 153 S 4.6455 9.6500 116.8572 59.0161 63.9340 173.5602 154 H 4.6230 7.3367 114.7685 53.3711 31.9192 174.1594 155 A 4.0115 8.5455 122.9171 55.2255 18.2567 179.7755 156 R 3.8491 8.0953 116.7179 59.7934 30.2055 178.3100 157 E 3.9697 8.1837 118.2606 58.7952 29.5476 178.3684 158 A 3.9574 8.0508 121.0832 55.1581 18.5195 179.4136 159 L 3.9349 8.1702 117.3654 58.0792 41.7516 179.7666 160 A 4.0316 7.9338 120.1484 55.3761 18.2815 179.8120 161 T 3.8248 8.1333 114.3120 66.9130 68.3581 176.8372 162 L 3.9678 7.9442 119.7014 57.7045 41.6433 178.9663 163 E 4.0996 8.0047 118.5464 59.4503 29.7368 178.6383 164 Q 4.2075 7.9215 116.2217 57.3996 30.4269 176.1706 165 H 4.8781 7.8712 116.9954 53.0448 29.0811 172.2501 166 P 4.2852 0.0000 0.0000 64.5684 31.7449 178.5332 167 A 4.0376 7.8333 121.3287 54.3875 18.6221 177.8603 168 I 3.8322 7.3965 117.4799 62.3068 37.4137 175.8623 169 R 4.5483 8.7320 120.2413 55.6959 31.5086 175.0859 170 L 5.0608 7.6301 122.2811 53.6160 45.7226 174.4883 171 V 4.8306 8.9342 126.2872 61.0400 34.6264 173.8827 172 L 5.0059 9.0164 127.8379 53.0105 44.0411 175.3858 173 V 4.6230 8.3726 124.2805 60.8082 34.0345 174.2849 174 D 4.8312 8.8939 128.3037 54.7289 42.2168 176.2045 175 Y 4.3278 8.8141 127.3818 60.4419 39.5062 175.1847 176 Y 4.0504 7.8034 115.8482 56.2932 39.0925 173.2430 *178 P 4.0371 0.0000 0.0000 63.6729 32.1724 174.3297 179 E 3.9167 8.6533 122.1048 56.2190 28.9551 174.2151 180 I 4.3730 7.2608 122.5169 58.8722 39.4997 175.9591 181 D 4.6397 8.4036 126.2986 52.2021 41.8066 177.2207 182 G 3.9540 8.4912 107.5544 47.6901 0.0000 176.0549 183 I 3.8135 7.9637 121.8376 64.1149 36.9115 178.6059 184 S 4.1385 8.4548 115.6835 61.2624 62.7012 176.1656 185 L 4.1153 7.8298 122.1628 58.1190 42.1717 178.6330 186 V 3.8935 8.1111 118.4529 66.2312 31.3819 179.0548 187 R 4.1200 8.0874 115.8614 56.9575 30.3165 178.4935 *189 L 4.3992 7.9045 120.7505 55.0709 42.2615 179.5265 190 R 4.5055 8.0787 118.4231 58.2296 29.6852 178.7293 191 E 4.1265 7.9497 117.3659 58.3557 29.3845 178.2771 192 R 4.1646 7.0729 114.7533 55.7541 31.9419 176.0692 193 Y 5.0796 7.5143 116.1822 55.8678 40.8989 175.7652 194 S 4.6621 9.1364 119.2630 57.3859 64.1171 175.3282 195 K 3.8701 8.6235 120.3252 59.4433 31.8254 178.2593 196 Q 4.1898 7.5829 117.8344 57.6833 29.3235 176.4737 197 Q 4.2052 8.0745 116.1262 57.4223 29.4598 175.4909 198 L 4.4989 7.5115 119.2171 53.4484 44.1949 175.4729 199 A 4.4501 9.0736 130.0862 52.0551 19.8272 176.0365 200 I 4.8642 9.9337 123.1605 59.5550 41.0186 174.4805 201 I 4.5624 8.5857 128.5957 59.3996 39.2242 175.1083 202 G 2.7229 8.7403 116.2090 45.2030 0.0000 172.0909 203 I 5.5225 8.4206 127.0116 59.4388 39.3835 175.3177 204 S 4.9592 8.6166 121.4114 57.3925 68.1654 172.7889 205 V 4.4066 8.4594 113.9203 60.6984 32.6194 177.4439 206 S 4.4983 8.8137 120.3970 57.1904 61.4768 172.7739 207 D 4.9227 7.8742 129.7386 51.6438 41.0936 177.0568 208 K 4.0313 8.7409 115.9312 59.8581 32.8016 178.0135 209 R 3.9828 7.8924 117.1757 56.3337 30.7101 176.2139 210 G 3.9709 7.7687 107.4649 46.1061 0.0000 175.3926 211 L 3.5459 7.7234 119.9529 57.6088 42.0061 178.9764 212 S 4.2270 8.1194 114.3286 61.8455 62.6300 176.5946 213 A 3.9323 7.8320 122.3791 55.2667 18.2222 179.5848 214 R 3.7644 7.6712 116.3911 59.5742 29.5911 178.6269 215 Y 4.3276 7.9607 116.5971 61.3483 37.9802 178.9492 216 L 4.2583 8.0659 119.4602 58.0127 41.6051 179.9262 217 K 4.1283 8.2293 116.9004 58.7863 32.0306 178.4484 218 Q 4.4072 7.6194 115.9467 55.7243 29.0475 176.3775 219 G 4.0468 8.1262 108.3858 44.7087 0.0000 174.0228 220 A 4.0998 7.8317 122.4959 52.6460 18.8140 178.0784 221 N 4.5988 8.8863 119.9754 56.4382 39.4002 174.4305 222 D 4.7745 7.6408 116.3204 53.4518 44.9531 173.8021 223 F 5.4591 8.1617 114.9445 54.9953 41.4291 174.1305 224 L 4.5110 8.9356 121.9232 53.7679 45.4204 174.4243 225 N 5.4970 9.0340 123.8984 52.5597 39.8072 174.7873 226 Q 4.7089 9.2389 123.8555 54.5828 29.8599 174.3917 227 P 4.4101 0.0000 0.0000 62.3707 32.4259 175.4732 228 F 5.1815 7.4416 113.8020 54.5474 41.2467 174.7024 229 E 4.5254 9.5477 121.9731 54.9664 31.8914 176.1710 230 P 4.4308 0.0000 0.0000 65.9955 31.4162 178.9975 231 E 4.1275 8.2634 116.9137 59.1212 29.3287 179.1698 232 E 3.9446 8.0777 118.4539 59.2461 29.7102 178.7695 233 L 3.6444 7.8362 120.2066 58.0502 42.0682 178.6371 234 Q 4.1266 8.3599 121.1456 58.7422 28.9587 177.5971 235 C 3.9550 8.1099 119.5074 62.7313 31.5443 175.7168 236 R 3.8085 7.9773 119.2064 59.3532 29.6531 179.2043 237 V 3.4960 8.1093 118.1446 66.0932 31.3808 178.1734 238 S 4.0158 8.2840 115.0910 61.9402 62.6009 176.3640 239 H 4.0674 8.2091 118.8344 59.0161 28.4523 177.6998 240 N 4.2143 8.1042 118.2116 56.1424 38.1208 177.5643 241 L 3.8980 7.7781 119.6432 57.6815 42.0184 178.8030 242 E 4.1675 8.6274 120.7223 58.4630 29.4433 178.5164 243 A 2.5800 7.7000 120.9459 54.9363 18.1368 179.5791 244 L 3.8397 7.4843 115.6910 57.8451 41.8989 179.1319 245 E 4.2801 7.8837 117.2467 57.8191 29.4258 178.1109 246 Q 4.5737 7.8263 114.0109 55.5587 31.6667 175.0337 247 F 4.6499 8.5054 120.8798 57.6828 39.0205 175.4115 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 K 8.31 4.33 0.00 1.79 1.88 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.45 7.81 3 Q 8.53 4.50 0.00 2.23 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.79 0.00 0.00 0.00 0.00 0.00 2.06 1.81 0.00 4 K 8.04 5.09 0.00 1.67 1.35 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.42 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.44 7.81 5 I 9.01 5.19 1.94 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 1.15 1.62 1.04 0.00 0.00 6 L 8.59 5.09 0.00 0.86 1.16 0.97 0.68 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 7 I 8.80 4.95 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.66 0.90 0.00 0.00 8 V 8.76 4.76 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 0.95 0.00 0.00 0.94 0.00 0.00 9 E 9.17 4.98 0.00 2.08 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 2.21 2.30 0.00 10 D 8.94 4.53 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 11 S 8.36 4.27 0.00 3.86 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 *13 T 8.42 4.28 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 14 I 7.80 3.87 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.47 0.91 0.00 0.00 15 R 8.31 4.04 0.00 1.88 1.98 0.00 3.04 0.00 0.00 3.37 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 16 R 7.40 4.31 0.00 2.04 1.91 0.00 3.20 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 *18 L 8.09 4.26 0.00 1.90 1.74 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 19 I 8.02 3.65 1.97 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.75 0.87 0.00 0.00 20 Q 8.33 3.90 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 21 A 7.88 3.98 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 22 I 7.97 3.67 1.96 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 1.44 1.04 0.90 0.00 0.00 23 A 8.04 3.98 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 7.89 4.07 0.00 2.22 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.65 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 25 Q 7.99 4.49 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.47 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 26 T 7.66 4.65 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 1.21 0.00 0.00 27 G 8.38 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 28 L 7.48 4.44 0.00 1.52 1.57 0.94 0.60 0.00 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 1.71 1.78 0.00 105 H 8.07 4.35 0.00 3.36 3.44 0.00 5.58 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 S 7.87 4.30 0.00 4.09 4.06 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 0.00 107 L 8.01 4.01 0.00 1.98 1.80 0.93 0.60 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 0.00 108 Q 8.06 4.03 0.00 2.20 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 109 Y 7.98 4.03 0.00 3.08 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 0.00 110 A 8.29 3.97 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.66 3.57 2.23 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 1.03 0.00 0.00 0.92 0.00 0.00 112 G 7.67 3.53 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 0.00 0.00 0.00 0.00 0.00 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1.80 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.93 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 122 Q 7.27 4.37 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.60 0.00 0.00 0.00 0.00 0.00 2.19 2.35 0.00 123 I 7.55 4.47 1.91 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 1.16 1.03 0.85 0.00 0.00 124 E 8.65 5.25 0.00 1.89 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 2.32 2.30 0.00 125 V 8.91 4.95 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 0.63 0.00 0.00 0.97 0.00 0.00 126 L 8.90 5.21 0.00 1.66 1.43 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 127 V 8.76 4.75 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 1.00 0.00 0.00 0.95 0.00 0.00 128 V 8.51 4.82 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 0.91 0.00 0.00 0.94 0.00 0.00 129 D 8.73 4.96 0.00 2.78 2.47 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 0.00 130 D 9.15 4.67 0.00 2.85 2.91 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 0.00 0.00 0.00 131 S 8.54 4.39 0.00 4.03 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 0.00 132 R 8.61 3.77 0.00 1.82 1.87 0.00 3.17 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.51 0.00 133 T 7.77 3.90 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 0.00 134 S 7.94 4.05 0.00 4.08 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 R 8.10 3.90 0.00 1.89 2.16 0.00 3.36 0.00 0.00 3.50 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 136 H 8.24 4.41 0.00 3.18 3.33 0.00 5.73 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 0.00 137 R 8.33 4.13 0.00 1.92 1.91 0.00 3.08 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 138 T 8.02 4.47 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 1.32 0.00 0.00 *140 A 8.01 4.28 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 141 Q 8.35 4.07 0.00 2.34 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.91 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 142 L 8.22 4.15 0.00 1.69 1.71 0.93 0.86 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 0.00 143 R 7.98 3.94 0.00 2.01 1.98 0.00 3.11 0.00 0.00 3.32 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 144 K 7.79 4.25 0.00 1.99 1.90 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.51 1.65 7.81 145 Q 8.03 4.38 0.00 2.21 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.02 0.00 0.00 0.00 0.00 0.00 2.50 2.62 0.00 146 L 7.81 3.75 0.00 1.85 1.73 0.92 0.48 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 0.00 147 L 7.07 4.41 0.00 1.83 1.56 0.88 0.90 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 0.00 148 Q 8.66 4.25 0.00 2.13 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.25 0.00 149 V 8.30 4.76 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 0.82 0.00 0.00 0.96 0.00 0.00 150 H 9.41 5.07 0.00 3.09 3.14 0.00 5.61 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 E 8.71 5.29 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 2.16 2.28 0.00 152 A 8.89 4.84 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 0.00 153 S 9.65 4.65 0.00 3.96 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 0.00 154 H 7.34 4.62 0.00 3.36 3.39 0.00 5.66 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 A 8.55 4.01 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 R 8.10 3.85 0.00 1.95 2.12 0.00 3.19 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.73 0.00 157 E 8.18 3.97 0.00 1.92 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 2.32 2.34 0.00 158 A 8.05 3.96 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 159 L 8.17 3.93 0.00 1.88 1.78 0.95 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 160 A 7.93 4.03 1.39 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 0.00 0.00 161 T 8.13 3.82 4.42 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 0.00 0.00 0.00 1.19 0.00 0.00 162 L 7.94 3.97 0.00 1.79 1.73 0.95 1.15 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 0.00 163 E 8.00 4.10 0.00 2.15 2.09 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 1.23 0.00 0.00 0.00 0.00 0.00 0.00 199 A 9.07 4.45 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 I 9.93 4.86 1.87 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.95 0.86 0.00 0.00 201 I 8.59 4.56 1.73 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 1.03 0.57 0.73 0.00 0.00 202 G 8.74 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 0.00 0.00 0.00 203 I 8.42 5.52 2.08 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 1.21 0.36 1.15 0.00 0.00 204 S 8.62 4.96 0.00 3.91 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 0.00 205 V 8.46 4.41 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 1.12 0.00 0.00 206 S 8.81 4.50 0.00 3.89 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 207 D 7.87 4.92 0.00 2.90 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 208 K 8.74 4.03 0.00 1.88 1.99 0.00 1.58 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.47 7.81 209 R 7.89 3.98 0.00 1.79 1.87 0.00 3.39 0.00 0.00 3.32 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 210 G 7.77 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 0.00 0.00 0.00 211 L 7.72 3.55 0.00 1.55 1.37 0.71 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 212 S 8.12 4.23 0.00 3.62 3.47 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 0.00 213 A 7.83 3.93 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 0.00 214 R 7.67 3.76 0.00 1.75 1.74 0.00 3.00 0.00 0.00 2.88 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 215 Y 7.96 4.33 0.00 3.22 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 0.00 216 L 8.07 4.26 0.00 1.87 1.77 0.94 0.99 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 0.00 217 K 8.23 4.13 0.00 1.70 1.88 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.59 1.61 7.81 218 Q 7.62 4.41 0.00 2.28 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.70 0.00 0.00 0.00 0.00 0.00 2.50 2.51 0.00 219 G 8.13 4.05 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 0.00 0.00 0.00 220 A 7.83 4.10 1.39 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 0.00 0.00 221 N 8.89 4.60 0.00 2.70 2.88 0.00 0.00 6.73 8.91 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 0.00 222 D 7.64 4.77 0.00 2.61 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 0.00 223 F 8.16 5.46 0.00 3.04 2.97 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 0.00 224 L 8.94 4.51 0.00 1.43 1.26 0.70 -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 0.00 0.00 0.00 0.00 225 N 9.03 5.50 0.00 2.83 2.88 0.00 0.00 7.15 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 0.00 226 Q 9.24 4.71 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.91 0.00 0.00 0.00 0.00 0.00 2.21 2.54 0.00 227 P 0.00 4.41 0.00 2.13 1.99 0.00 3.76 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 2.01 1.95 0.00 228 F 7.44 5.18 0.00 3.16 3.21 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 0.00 229 E 9.55 4.53 0.00 2.04 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 2.35 2.53 0.00 230 P 0.00 4.43 0.00 2.24 2.18 0.00 3.68 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 2.19 2.25 0.00 231 E 8.26 4.13 0.00 2.08 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 0.00 2.32 2.48 0.00 232 E 8.08 3.94 0.00 2.31 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 2.43 2.42 0.00 233 L 7.84 3.64 0.00 1.66 1.88 0.61 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 234 Q 8.36 4.13 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.52 0.00 0.00 0.00 0.00 0.00 2.35 2.22 0.00 235 C 8.11 3.96 0.00 3.16 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 0.00 236 R 7.98 3.81 0.00 1.82 1.78 0.00 2.96 0.00 0.00 2.84 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 237 V 8.11 3.50 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 1.04 0.00 0.00 0.89 0.00 0.00 238 S 8.28 4.02 0.00 3.96 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 239 H 8.21 4.07 0.00 3.25 3.26 0.00 5.62 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 0.00 240 N 8.10 4.21 0.00 2.73 2.77 0.00 0.00 7.06 6.90 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 0.00 241 L 7.78 3.90 0.00 1.65 1.64 0.88 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 242 E 8.63 4.17 0.00 1.96 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 2.24 2.06 0.00 243 A 7.70 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 244 L 7.48 3.84 0.00 1.73 1.70 0.89 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 245 E 7.88 4.28 0.00 2.10 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 2.27 2.35 0.00 246 Q 7.83 4.57 0.00 2.19 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.98 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 247 F 8.51 4.65 0.00 3.01 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 * Residues marked with a * may have inaccurate shift predictions.