NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 E 4.2950 8.4449 120.2267 56.2655 31.6976 175.3896 7 V 3.1594 7.1793 111.0824 57.2913 31.7509 175.0301 8 S 4.4767 8.9303 120.1759 57.9471 65.7977 174.6715 9 W 4.2220 9.1002 132.9626 60.9545 30.3870 178.4491 10 I 3.4649 8.1204 119.0188 64.5379 36.4319 178.1580 11 S 4.2447 7.6994 113.3826 60.4531 62.3242 175.7259 12 W 4.1288 8.6173 131.4497 60.4010 30.3999 177.4581 13 F 2.4694 7.9880 120.7092 60.9998 38.4590 176.7861 14 C 3.8215 7.8334 115.5369 61.8532 28.1347 175.2246 15 G 3.6302 6.9155 107.2352 46.2337 0.0000 174.4463 16 L 3.7700 6.9014 120.5290 54.0001 42.0974 176.4341 17 R 3.9601 7.9803 121.5156 57.7235 30.2792 176.5831 18 G 3.8909 8.8443 113.8369 45.4267 0.0000 173.5639 19 N 5.1732 7.7038 116.5656 53.2551 38.7626 177.1138 20 E 4.1075 8.0649 120.6109 59.3199 29.7103 178.5764 21 F 5.0170 8.0300 116.3238 59.9339 39.3516 175.8545 22 F 4.6419 8.2092 118.8738 57.1973 39.4357 174.2147 23 C 5.1286 8.8196 116.5275 56.2561 32.7047 173.4398 24 E 4.4297 8.6810 120.3243 55.5268 29.3674 176.5136 25 V 2.6589 8.4648 125.2589 61.7747 32.3040 175.5700 26 D 4.4325 7.8627 127.3779 54.6155 41.4675 176.7908 27 E 3.9598 9.2635 125.0094 59.7177 29.4018 178.7381 28 D 4.6173 8.1653 119.6709 56.0581 39.0704 177.7943 29 Y 4.0564 7.8483 120.1138 60.7176 38.8977 177.8599 30 I 3.8677 7.7634 119.1796 64.4134 37.3772 178.0579 31 Q 4.3004 8.2997 118.9370 57.3897 28.4675 175.4984 32 D 4.5982 7.6454 119.8701 53.5130 41.7887 176.5103 33 K 3.9088 8.7586 128.0756 59.7296 32.2260 178.7916 34 F 4.2785 8.6173 120.7182 61.3447 38.9845 176.7872 35 N 4.1829 8.0341 115.0617 54.8011 38.4812 176.2676 36 L 4.5743 7.4283 118.9575 53.0384 41.9821 176.0379 37 T 3.8387 6.5852 109.7588 63.5951 69.1030 173.1024 38 G 4.0791 8.9605 113.9717 45.3693 0.0000 175.4892 39 L 4.0497 8.1647 120.1143 57.4554 41.7147 178.8391 40 N 3.1400 7.6128 114.7612 54.1958 36.5102 175.0441 41 E 4.5213 7.5943 115.4537 55.9986 29.7813 177.0762 42 Q 4.5428 8.2723 118.8032 55.9485 30.9776 176.1299 43 V 4.5488 7.5205 110.2093 58.4318 34.5562 173.6103 44 P 4.3672 0.0000 0.0000 63.8692 32.1194 175.3118 45 H 4.1227 8.5316 114.6697 56.9960 26.5274 176.4415 46 Y 4.0799 8.3562 121.7896 61.2079 38.3832 177.3672 47 R 3.6667 7.9584 118.6380 59.6668 30.3583 178.4327 48 Q 3.9065 7.9475 117.0263 58.6761 28.7743 178.6332 49 A 3.7493 8.1378 122.3267 55.0102 18.4574 179.5132 50 L 3.6151 7.5173 118.7289 57.9105 42.1068 179.0020 51 D 4.1764 7.6224 119.0937 57.4070 40.6291 178.2530 52 M 3.8269 7.8558 118.7328 58.6102 31.9086 178.3544 53 I 2.7242 6.8478 118.9265 63.4102 37.2449 177.4062 54 L 4.3518 7.2522 116.3516 53.2836 43.0666 176.2537 55 D 4.3426 7.4568 118.4957 55.3096 38.0806 172.5612 56 L 4.7369 7.7295 118.1381 51.8639 45.6668 176.4999 57 E 3.8689 8.8227 120.8365 56.0753 30.2044 176.6986 58 P 4.5513 0.0000 0.0000 62.0634 31.1416 176.8755 *67 N 4.6849 8.7142 110.3599 52.9632 38.1888 175.9020 68 Q 4.1911 7.8834 116.6339 56.7051 28.7149 177.2246 69 S 3.8857 7.9218 113.9730 61.8832 62.5568 175.6499 70 D 4.6324 8.0842 122.3330 56.8953 40.4201 179.0170 71 L 4.1027 7.5249 119.5189 57.6391 41.4520 179.4970 72 I 3.8679 7.9713 120.2074 64.0672 36.6958 178.1373 73 E 4.0810 8.0863 119.1053 59.5772 29.3545 179.2478 74 Q 4.2039 8.4186 117.9598 58.8311 28.7238 178.6270 75 A 4.0543 7.8872 121.7411 55.0030 18.3666 179.5602 76 A 3.7515 8.3060 119.6648 54.9896 18.4471 179.5185 77 E 3.8555 8.3227 117.9883 59.6281 29.7958 178.8160 78 M 4.1610 8.0254 119.5909 58.0622 32.3730 177.9376 79 L 3.9401 8.3028 120.9956 58.2455 42.1741 178.3105 80 Y 3.9612 8.2313 120.0837 60.2628 38.6008 178.1338 81 G 2.6276 7.3517 106.1347 47.5902 0.0000 175.5662 82 L 4.0931 7.6756 122.0979 57.4678 41.6240 179.8786 83 I 3.7514 7.6418 119.7297 64.4330 36.9697 177.7635 84 H 3.8501 8.1160 119.3254 59.1271 29.3776 176.8707 85 A 3.8702 7.8033 121.2275 55.3560 18.4922 179.6606 86 R 4.0007 7.7013 115.9782 59.5380 30.2523 178.2786 87 Y 3.6180 8.3639 120.4629 60.7064 38.6174 178.1430 88 I 3.6019 7.5667 108.3523 61.3684 37.1473 176.1757 89 L 4.5518 7.6392 121.1147 55.5412 43.1055 177.6345 90 T 4.2329 7.4739 110.0900 61.0173 71.1869 175.2801 91 N 4.2457 8.6843 119.8671 56.5221 38.5510 177.7502 92 R 3.9563 7.8232 119.8055 59.1265 30.2874 178.5171 93 G 2.7709 7.2602 105.4269 47.6435 0.0000 175.5106 94 I 3.7203 7.8482 122.9383 63.9340 37.2001 178.2290 95 A 3.9416 7.7013 120.9553 55.3946 18.3746 179.7108 96 Q 4.0113 7.9493 116.2919 59.4886 28.8097 179.0724 97 M 4.3195 8.3395 119.8580 58.3616 32.0411 178.4933 98 L 4.0210 8.4088 120.9775 58.0160 41.8564 178.5684 99 E 3.9344 7.7875 118.1622 59.3049 29.9945 178.4021 100 K 3.9244 8.0696 117.9917 59.6455 32.1250 178.5023 101 Y 4.4497 8.7343 120.0038 61.1999 38.5629 178.5025 102 Q 4.0038 8.1672 116.8287 58.1818 28.9106 177.7051 103 Q 4.4266 8.0751 117.9401 54.8231 29.1430 176.3843 104 G 4.3642 7.8632 108.0323 46.2397 0.0000 175.9301 105 D 4.2083 7.1358 118.9173 56.2686 40.7226 177.5997 106 F 4.3192 7.4367 115.2109 56.7418 39.9037 175.1278 107 G 3.6944 7.5371 106.7512 44.7329 0.0000 171.9243 108 Y 5.0856 7.9443 114.5244 55.4556 41.0839 175.2207 109 C 4.0910 8.8760 123.9270 59.1060 31.9162 172.4095 110 P 4.3157 0.0000 0.0000 64.5196 31.8349 176.9798 111 R 3.9041 7.5302 119.5406 56.1190 30.1666 177.5091 112 V 3.3997 8.3485 122.4134 66.0959 31.5512 176.9423 113 Y 4.5840 7.3678 114.2211 59.2720 38.4941 175.7705 114 C 4.2497 8.0556 117.4955 59.9060 29.1819 172.8274 115 E 3.7914 8.2869 118.1050 58.2695 27.0209 174.2868 116 N 4.1809 7.8427 108.7614 54.2196 37.0215 175.4086 117 Q 4.3438 7.6521 118.3679 55.2542 30.3202 173.9697 118 P 4.7215 0.0000 0.0000 63.4023 32.1505 175.4143 119 M 4.9619 8.4792 121.2659 53.9604 35.0859 174.9027 120 L 4.5681 8.5501 119.4350 52.1147 44.9823 174.9604 121 P 4.4201 0.0000 0.0000 63.0440 32.3626 175.0377 122 I 4.5187 8.4085 119.7179 60.1368 41.9564 173.2351 123 G 4.5291 9.0510 114.0932 44.5912 0.0000 174.4745 124 L 4.3657 8.6466 121.7101 55.9325 42.3748 176.8119 125 S 4.6245 7.5639 111.0931 57.2356 65.1644 173.0681 126 D 4.7211 8.5663 123.0208 54.2121 41.6691 176.4472 127 I 4.2439 7.7517 122.4453 59.0146 37.8817 173.7762 128 P 4.4989 0.0000 0.0000 64.1341 31.6354 177.1095 129 G 4.0059 10.1500 110.3870 45.8889 0.0000 175.0346 130 E 4.0298 7.8618 118.5317 58.6459 29.9493 176.5721 131 A 4.7611 7.3260 118.1568 50.7012 23.0499 174.6651 132 M 4.8433 8.5129 118.9625 54.2925 33.4062 176.8989 133 V 3.7451 8.9299 121.3383 62.3388 32.2299 175.3919 134 K 4.7905 9.0354 121.8570 54.6402 36.6493 174.4730 135 L 5.0414 9.1589 120.6139 53.2509 44.7963 175.2872 136 Y 5.0326 9.1477 125.3513 56.0997 41.0803 173.7368 137 C 4.7366 8.3133 128.3627 57.4713 32.3697 172.6075 138 P 4.1156 0.0000 0.0000 64.5815 31.4554 177.6092 139 K 4.0125 7.8822 120.3751 59.2440 32.3247 177.1732 140 C 4.3457 7.9320 110.0448 57.9257 30.3476 172.8130 141 M 2.9083 7.4259 119.1377 56.8741 29.8987 175.1643 142 D 5.0427 7.6732 115.4149 52.3987 45.7523 173.9677 143 V 4.9519 7.9608 119.8909 61.2305 33.6068 174.0817 144 Y 4.8195 9.4137 124.8697 56.3936 42.0092 174.5415 145 T 4.7187 8.4709 117.5873 61.7318 69.8572 173.4539 146 P 4.4250 0.0000 0.0000 62.6823 31.9994 176.6633 147 K 4.1070 8.8643 122.0630 59.5652 33.0870 177.3469 148 S 4.4510 7.9602 114.7102 56.8727 63.2579 174.6774 149 S 3.7403 8.5135 121.9390 60.1075 63.0980 176.1299 150 R 3.9220 7.4929 117.0808 58.5568 29.3649 176.9487 151 H 4.6723 7.7931 114.8609 56.0646 29.0113 175.2128 152 H 4.8826 7.9797 116.1321 56.5842 28.2418 175.3251 153 H 4.8684 7.9169 112.8576 55.5014 30.3090 173.1848 154 T 4.5966 7.8274 118.0163 61.8594 68.9772 173.8107 155 D 4.5399 8.8294 127.1043 54.1338 41.8973 177.3030 156 G 3.7927 8.9091 112.7535 47.0846 0.0000 175.6198 157 A 4.3088 8.7582 123.2467 54.6769 18.1975 178.2043 158 Y 4.7281 7.5875 114.0712 59.0224 37.8364 176.6389 159 F 4.3036 8.1530 117.3837 55.6178 41.6103 176.0561 160 G 4.1756 7.7733 107.9369 45.3901 0.0000 174.3497 161 T 4.4062 8.0558 108.2783 61.8454 69.5519 175.9686 162 G 4.0142 7.8335 109.9206 45.2243 0.0000 174.7050 163 F 4.1110 8.2400 122.4909 60.9090 39.3295 174.9528 164 P 3.3129 0.0000 0.0000 65.9333 31.1397 178.2490 165 H 4.2544 7.6574 114.0235 58.5453 28.7238 177.6697 166 M 3.9643 7.7105 120.8276 58.1528 31.8299 178.2949 167 L 3.6266 7.3780 120.6319 58.2462 41.6453 179.0938 168 F 4.3984 7.4531 116.5902 60.1168 38.5656 177.8149 169 M 4.1180 7.5612 117.8967 58.3739 31.9110 178.5765 170 V 3.7373 7.6644 116.8880 64.8369 33.0061 175.6275 171 H 5.4188 8.0089 114.3853 52.2905 29.4385 172.4109 172 P 4.5702 0.0000 0.0000 64.8692 32.0074 179.1664 173 E 4.0887 8.4275 115.3180 58.9216 29.5643 177.5573 174 Y 4.4078 8.5509 116.0128 57.9611 38.2802 175.3233 175 R 3.6157 8.0635 121.1353 55.3923 29.6392 174.3380 176 P 4.2635 0.0000 0.0000 62.6200 31.8553 176.5499 177 K 4.2164 8.4717 121.5265 56.0125 32.8395 177.0795 178 R 4.1392 8.4598 119.7346 56.1329 29.7090 176.2415 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 6 E 8.44 4.30 0.00 1.96 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.40 0.00 7 V 7.18 3.16 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 0.71 0.00 0.00 0.97 0.00 0.00 8 S 8.93 4.48 0.00 4.23 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 9 W 9.10 4.22 0.00 3.65 3.44 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 0.00 0.00 0.00 0.00 10 I 8.12 3.46 1.97 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.85 0.97 0.00 0.00 11 S 7.70 4.24 0.00 3.94 4.03 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.62 4.13 0.00 3.27 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 13 F 7.99 2.47 0.00 1.51 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 0.00 0.00 0.00 0.00 14 C 7.83 3.82 0.00 2.93 3.01 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 15 G 6.92 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 L 6.90 3.77 0.00 1.05 1.16 -0.03 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 17 R 7.98 3.96 0.00 1.65 1.72 0.00 3.12 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 1.49 1.52 0.00 18 G 8.84 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 19 N 7.70 5.17 0.00 2.47 2.55 0.00 0.00 6.83 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 20 E 8.06 4.11 0.00 1.90 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 21 F 8.03 5.02 0.00 2.96 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 22 F 8.21 4.64 0.00 3.36 3.15 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 23 C 8.82 5.13 0.00 3.22 3.11 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 24 E 8.68 4.43 0.00 2.16 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.38 0.00 25 V 8.46 2.66 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 -0.16 0.00 0.00 0.52 0.00 0.00 26 D 7.86 4.43 0.00 2.84 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 27 E 9.26 3.96 0.00 2.07 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 2.42 0.00 28 D 8.17 4.62 0.00 2.96 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 29 Y 7.85 4.06 0.00 3.14 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 30 I 7.76 3.87 2.05 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 1.72 0.88 0.88 0.00 0.00 31 Q 8.30 4.30 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.99 0.00 0.00 0.00 0.00 0.00 2.37 2.65 0.00 32 D 7.65 4.60 0.00 2.64 2.59 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 33 K 8.76 3.91 0.00 1.88 1.90 0.00 1.75 0.00 0.00 1.77 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.56 1.53 7.81 34 F 8.62 4.28 0.00 3.06 3.30 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 35 N 8.03 4.18 0.00 2.39 2.04 0.00 0.00 6.94 7.88 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 36 L 7.43 4.57 0.00 1.73 1.71 0.99 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 37 T 6.59 3.84 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 38 G 8.96 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 39 L 8.16 4.05 0.00 1.79 1.75 0.94 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 40 N 7.61 3.14 0.00 1.44 1.49 0.00 0.00 5.88 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 41 E 7.59 4.52 0.00 2.13 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 42 Q 8.27 4.54 0.00 2.14 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.31 6.64 0.00 0.00 0.00 0.00 0.00 2.27 2.40 0.00 43 V 7.52 4.55 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 0.84 0.00 0.00 1.12 0.00 0.00 44 P 0.00 4.37 0.00 1.93 1.98 0.00 3.96 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 2.01 2.00 0.00 45 H 8.53 4.12 0.00 3.37 3.38 0.00 5.66 0.00 0.00 0.00 0.00 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 Y 8.36 4.08 0.00 3.28 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 47 R 7.96 3.67 0.00 1.94 1.89 0.00 3.22 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 48 Q 7.95 3.91 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 49 A 8.14 3.75 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 L 7.52 3.62 0.00 1.03 1.34 0.75 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 51 D 7.62 4.18 0.00 2.88 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 52 M 7.86 3.83 0.00 1.75 1.90 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.01 0.00 53 I 6.85 2.72 1.67 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.02 0.85 0.00 0.00 54 L 7.25 4.35 0.00 1.52 1.64 0.85 1.28 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 55 D 7.46 4.34 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 56 L 7.73 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.73 0.84 0.00 0.00 73 E 8.09 4.08 0.00 2.28 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 2.48 2.61 0.00 74 Q 8.42 4.20 0.00 2.39 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.48 2.69 0.00 75 A 7.89 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 76 A 8.31 3.75 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.32 3.86 0.00 2.47 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 2.57 2.81 0.00 78 M 8.03 4.16 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.52 0.00 79 L 8.30 3.94 0.00 1.78 1.62 1.04 0.56 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 80 Y 8.23 3.96 0.00 2.98 2.52 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 81 G 7.35 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 0.00 0.00 0.00 82 L 7.68 4.09 0.00 1.83 1.77 0.99 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 83 I 7.64 3.75 1.78 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 1.42 0.67 0.94 0.00 0.00 84 H 8.12 3.85 0.00 2.79 3.36 0.00 5.60 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 85 A 7.80 3.87 1.46 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 0.00 0.00 86 R 7.70 4.00 0.00 2.13 2.10 0.00 3.21 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.87 0.00 87 Y 8.36 3.62 0.00 2.59 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 88 I 7.57 3.60 1.35 0.00 0.00 0.03 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 0.48 0.47 0.00 0.00 89 L 7.64 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0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.77 0.00 98 L 8.41 4.02 0.00 1.51 1.72 0.17 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 99 E 7.79 3.93 0.00 2.05 2.26 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 2.36 2.42 0.00 100 K 8.07 3.92 0.00 1.89 1.58 0.00 1.90 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.46 1.77 7.81 101 Y 8.73 4.45 0.00 3.21 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 0.00 102 Q 8.17 4.00 0.00 2.31 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.62 0.00 0.00 0.00 0.00 0.00 2.61 2.65 0.00 103 Q 8.08 4.43 0.00 2.31 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.10 0.00 0.00 0.00 0.00 0.00 2.55 2.49 0.00 104 G 7.86 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 0.00 0.00 0.00 105 D 7.14 4.21 0.00 2.02 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 0.00 0.00 0.00 106 F 7.44 4.32 0.00 3.10 2.61 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 0.00 107 G 7.54 3.69 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 0.00 0.00 0.00 108 Y 7.94 5.09 0.00 3.12 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 0.00 109 C 8.88 4.09 0.00 2.78 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 0.00 110 P 0.00 4.32 0.00 2.12 2.05 0.00 2.87 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.66 0.00 111 R 7.53 3.90 0.00 1.84 1.91 0.00 3.30 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.70 0.00 112 V 8.35 3.40 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.74 0.00 0.00 113 Y 7.37 4.58 0.00 3.07 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 0.00 114 C 8.06 4.25 0.00 3.17 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 0.00 115 E 8.29 3.79 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 2.28 2.48 0.00 116 N 7.84 4.18 0.00 2.70 2.57 0.00 0.00 7.17 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 0.00 117 Q 7.65 4.34 0.00 2.43 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.97 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 118 P 0.00 4.72 0.00 1.73 1.91 0.00 3.85 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.71 0.00 119 M 8.48 4.96 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.46 0.00 120 L 8.55 4.57 0.00 1.53 1.37 0.58 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 121 P 0.00 4.42 0.00 1.06 1.02 0.00 3.06 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.28 0.00 122 I 8.41 4.52 1.87 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.37 0.95 0.00 0.00 123 G 9.05 4.53 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 0.00 0.00 124 L 8.65 4.37 0.00 1.65 1.73 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 125 S 7.56 4.62 0.00 3.77 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 0.00 126 D 8.57 4.72 0.00 2.71 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 0.00 127 I 7.75 4.24 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 1.31 1.12 0.92 0.00 0.00 128 P 0.00 4.50 0.00 2.09 2.08 0.00 3.76 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 129 G 10.15 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 0.00 130 E 7.86 4.03 0.00 2.07 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 2.45 2.40 0.00 131 A 7.33 4.76 1.18 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 0.00 0.00 132 M 8.51 4.84 0.00 1.95 2.01 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.48 0.00 133 V 8.93 3.75 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 0.79 0.00 0.00 0.36 0.00 0.00 134 K 9.04 4.79 0.00 1.64 1.88 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.52 7.81 135 L 9.16 5.04 0.00 1.58 1.51 1.02 0.39 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 0.00 136 Y 9.15 5.03 0.00 3.02 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 0.00 137 C 8.31 4.74 0.00 2.99 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 P 0.00 4.12 0.00 1.93 2.29 0.00 3.92 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 2.07 2.31 0.00 139 K 7.88 4.01 0.00 1.73 1.84 0.00 1.78 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.40 1.41 7.81 140 C 7.93 4.35 0.00 3.17 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 0.00 141 M 7.43 2.91 0.00 2.32 2.19 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.50 0.00 142 D 7.67 5.04 0.00 2.68 2.27 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 0.00 143 V 7.96 4.95 2.03 0.00 0.00 0.00 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 1.06 0.00 0.00 144 Y 9.41 4.82 0.00 2.96 2.87 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 0.00 145 T 8.47 4.72 4.31 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 1.23 0.00 0.00 146 P 0.00 4.43 0.00 2.22 2.27 0.00 3.82 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 147 K 8.86 4.11 0.00 1.90 2.00 0.00 1.62 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.48 7.81 148 S 7.96 4.45 0.00 3.88 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 S 8.51 3.74 0.00 4.05 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 0.00 150 R 7.49 3.92 0.00 1.76 1.94 0.00 2.89 0.00 0.00 3.05 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.07 0.00 151 H 7.79 4.67 0.00 3.21 3.19 0.00 5.63 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 H 7.98 4.88 0.00 3.19 3.19 0.00 5.61 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 H 7.92 4.87 0.00 3.15 3.33 0.00 5.84 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 T 7.83 4.60 4.35 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 1.60 0.00 0.00 155 D 8.83 4.54 0.00 2.44 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 G 8.91 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 0.00 157 A 8.76 4.31 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 0.00 158 Y 7.59 4.73 0.00 2.99 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 0.00 159 F 8.15 4.30 0.00 3.06 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 0.00 160 G 7.77 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 0.00 0.00 0.00 161 T 8.06 4.41 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 1.33 0.00 0.00 162 G 7.83 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 0.00 163 F 8.24 4.11 0.00 3.21 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 0.00 164 P 0.00 3.31 0.00 1.42 1.73 0.00 3.49 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 1.90 2.18 0.00 165 H 7.66 4.25 0.00 3.08 3.29 0.00 5.62 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 M 7.71 3.96 0.00 1.95 2.25 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.66 0.00 167 L 7.38 3.63 0.00 0.79 0.77 0.43 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 168 F 7.45 4.40 0.00 3.04 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 0.00 169 M 7.56 4.12 0.00 2.01 2.22 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.83 0.00 170 V 7.66 3.74 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 0.60 0.00 0.00 0.87 0.00 0.00 171 H 8.01 5.42 0.00 3.22 3.42 0.00 5.71 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 P 0.00 4.57 0.00 2.23 2.19 0.00 3.94 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.36 0.00 173 E 8.43 4.09 0.00 2.06 2.25 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 2.41 2.32 0.00 174 Y 8.55 4.41 0.00 3.30 3.46 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 0.00 175 R 8.06 3.62 0.00 1.70 2.10 0.00 2.96 0.00 0.00 3.02 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 176 P 0.00 4.26 0.00 2.05 2.12 0.00 3.49 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 2.03 2.20 0.00 177 K 8.47 4.22 0.00 1.85 1.83 0.00 1.58 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.36 7.81 178 R 8.46 4.14 0.00 1.92 1.92 0.00 3.19 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 * Residues marked with a * may have inaccurate shift predictions.