NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.4830 8.1933 115.4128 57.7276 64.4162 174.4727 5 E 3.8517 8.7917 121.2185 58.6616 29.5725 177.1388 6 L 3.8820 8.0949 119.8326 57.8864 43.7372 177.2345 7 E 4.0232 8.2887 119.5191 59.2489 29.7450 179.6346 8 K 4.1789 7.9786 115.6642 56.9862 31.3904 178.7309 *10 L 4.0922 7.9653 120.8714 54.6804 43.2616 177.9296 11 K 4.2905 7.8447 114.8490 55.8771 31.8832 176.7975 12 G 4.0876 8.0425 106.0615 46.1714 0.0000 173.7220 13 E 4.7011 8.1046 118.1901 53.9029 31.9150 175.9707 14 H 4.4334 8.5563 118.0282 56.2568 29.2594 175.0883 15 F 5.1335 7.8941 116.9172 55.2266 40.6691 173.3436 16 D 4.6836 9.6180 122.1684 52.6790 41.2308 177.6464 17 G 3.8643 8.8246 116.5080 48.4548 0.0000 173.4296 18 A 4.3793 7.8661 120.0989 52.2832 19.0383 178.0619 19 S 4.2498 7.8183 110.9336 58.2540 64.3200 174.7936 20 A 3.9991 8.5882 129.5066 55.3687 17.7270 179.8027 21 E 3.9290 8.1437 117.3287 59.4810 29.7873 178.9602 22 I 3.8562 7.5138 118.7119 64.1524 37.3621 177.9805 23 E 4.0647 8.6825 120.2965 58.8952 29.3335 178.8060 24 A 4.0100 8.1568 121.2005 55.0603 18.4262 179.3754 25 L 3.9751 7.7255 118.1342 58.3041 42.1802 179.0535 26 R 3.9515 8.3998 118.7382 59.4793 29.9185 178.7531 27 S 4.1327 7.9587 114.6417 61.2620 62.9885 176.0320 28 Q 3.9119 8.4200 122.4954 59.3865 28.6678 178.6299 29 A 4.0635 8.3003 121.7731 55.0026 18.4026 179.7867 30 G 3.5146 8.0172 104.2677 47.9120 0.0000 175.7304 31 R 3.8645 7.8919 121.3864 59.1185 30.1880 178.3978 32 L 3.8932 7.9622 118.5900 57.6449 41.5653 179.1453 33 K 3.7360 8.1482 119.7001 59.8305 31.8901 178.2659 34 L 3.9397 8.0221 120.0678 58.2751 41.7734 178.8455 35 E 3.9802 8.1272 117.5839 59.4211 29.5480 179.1083 36 I 3.8585 8.3196 120.2625 64.4178 36.9765 178.1689 37 N 4.4750 8.4172 116.1935 55.1991 38.4642 176.4247 38 Q 4.4817 7.3691 117.4592 54.6377 29.6180 175.7713 39 S 4.3155 7.3538 117.8549 58.6013 63.3131 174.2331 40 L 4.3838 8.4548 123.2021 54.7520 42.5514 176.2335 41 D 4.7969 7.6388 118.9474 52.1128 42.8647 175.3999 42 E 3.9834 8.8298 128.3696 59.5112 29.7673 178.4753 43 A 4.0484 8.0205 120.7745 55.0333 18.3575 179.1483 44 E 3.8981 8.3492 117.4297 59.4480 29.6678 178.8725 45 R 3.8470 8.5677 119.0961 59.4838 30.0644 177.7400 46 Y 3.8531 8.1827 119.0935 60.7784 38.5776 178.1404 47 A 4.0622 8.1019 121.3674 55.0797 18.4556 179.6277 48 L 3.8885 8.1890 117.8193 58.0915 41.7193 179.8125 49 Q 3.4977 8.2087 118.1825 58.5549 28.3506 178.6215 50 R 3.9090 7.8011 119.0698 58.6622 30.0879 177.7594 51 E 4.0644 7.3970 118.7017 58.8098 29.7417 178.0250 52 L 3.9159 7.6864 120.3653 57.3201 42.1392 177.3469 53 F 5.3196 6.3257 115.3654 56.5182 39.7367 176.0045 54 G 3.8258 8.9789 111.1387 47.8732 0.0000 173.8763 55 H 4.8962 7.7727 117.4789 54.8042 33.6371 172.6951 56 L 4.5362 7.7800 126.2364 53.8663 44.4604 175.6525 57 G 4.0563 8.5301 114.8673 44.5152 0.0000 171.5190 58 H 4.2798 9.5560 120.0626 57.4390 29.9750 175.6081 59 K 3.8644 8.6558 123.7359 57.1988 29.7479 175.3746 60 S 4.7252 7.7122 115.0505 58.4348 63.8142 173.4755 61 C 4.9415 9.0525 120.7150 57.9209 31.4704 173.2646 62 V 4.4469 8.2340 122.5507 60.9383 33.0742 174.7345 63 Q 4.3688 8.4947 128.7035 54.7175 29.0866 175.0757 64 P 4.5840 0.0000 0.0000 61.9411 32.3127 173.8645 65 P 4.8720 0.0000 0.0000 62.3419 32.5436 174.8060 66 F 4.8736 9.0045 124.7911 56.6947 41.7685 174.0316 67 H 5.0340 8.1039 122.5962 54.0621 31.6275 172.6735 68 C 4.5511 8.4225 116.2466 57.5666 32.3638 173.3417 69 E 4.0373 8.9799 119.2578 57.4353 29.9330 176.5954 70 F 4.7558 8.7726 115.0001 56.3229 41.7985 176.3955 71 G 4.5698 8.8418 113.5060 46.5669 0.0000 176.1937 72 K 4.0747 7.9758 119.4784 58.6577 32.3710 178.3422 73 T 4.4462 8.0150 107.3258 61.5353 69.3948 173.3404 74 I 4.8299 7.5806 124.0537 60.0954 39.6298 174.7069 75 R 4.9549 8.8226 125.2189 54.6726 33.7038 174.1660 76 I 4.6422 8.5962 125.8260 59.3749 39.5878 177.3115 77 G 4.1854 8.4544 113.5529 45.7510 0.0000 172.1726 78 D 4.8303 8.7123 119.4195 53.4203 43.5391 176.3208 79 H 4.2576 8.7777 115.2732 57.6592 27.2450 174.5780 80 T 5.0575 8.2515 114.9143 61.6952 71.6061 173.8024 81 F 5.2450 9.3659 129.0049 56.5602 41.9311 173.8319 82 I 4.5506 8.0826 127.9227 59.6116 39.2987 174.0639 83 N 4.2319 9.0480 130.9304 53.6688 39.1362 175.4996 *85 N 4.7256 9.1484 113.4704 53.1635 41.2209 172.5433 86 V 4.3347 7.8844 116.4378 62.3632 33.2703 174.6424 87 V 5.0037 8.4042 125.2562 59.7446 36.1452 173.9355 *89 L 4.5094 8.2557 120.6358 54.1939 42.9449 177.7558 90 D 5.2736 8.6766 126.7821 52.6131 40.1018 178.0523 91 G 3.6228 8.8053 110.5744 49.1539 0.0000 174.1964 92 A 4.7568 7.4338 119.5414 49.0913 21.5454 175.4392 93 P 4.6064 0.0000 0.0000 62.8721 33.0853 175.5805 94 I 5.0816 8.7934 123.8772 59.9178 40.3087 174.5264 95 T 5.0999 9.0385 124.1522 61.7094 71.5864 173.2209 96 I 4.7864 8.7982 127.2124 59.5474 40.3254 176.3806 97 G 4.2937 8.8438 116.3349 46.2343 0.0000 172.1276 98 D 4.8087 9.3635 120.3002 54.2387 42.8763 176.5442 99 H 4.7266 8.6933 115.5382 56.8698 26.7934 174.4466 100 V 4.6048 7.7413 118.6819 61.5451 33.7331 174.3609 101 L 5.3298 9.1557 127.6002 53.2222 44.3597 175.3594 102 I 4.9352 8.8802 125.7246 59.2875 39.8051 176.2482 103 G 4.3094 9.0382 115.2682 45.0827 0.0000 171.0682 104 P 4.4813 0.0000 0.0000 63.2099 32.7783 177.7822 105 S 4.8744 8.7987 116.5474 59.6714 60.4215 170.7885 106 T 4.5662 7.6309 117.1716 63.7367 69.7164 173.3269 107 Q 5.0761 9.2696 123.4099 54.0965 32.2771 174.5405 108 F 4.7291 9.2202 122.4318 55.9619 41.3957 174.5593 109 Y 5.0650 8.5204 123.1692 56.6593 38.9056 176.1642 110 T 4.3757 9.0039 115.3702 62.8303 70.3421 174.4811 111 A 5.0568 8.0253 124.1220 51.3729 20.4548 176.1363 112 S 4.5819 8.8248 114.5302 57.4058 66.8735 171.9337 113 H 5.3173 8.4062 118.2235 53.3805 32.4443 173.7946 114 S 4.3271 8.6369 114.0612 58.2606 62.7877 174.3896 115 L 4.0851 8.3707 125.3534 57.0472 41.9196 176.8553 116 D 4.5939 8.1451 119.9924 53.2999 41.3390 176.4699 117 Y 4.2071 8.7128 125.8909 59.9520 38.2882 178.3902 118 R 3.6431 7.0850 118.5778 58.1069 30.0892 177.2193 119 R 4.6000 7.6705 116.4916 56.1590 30.6657 176.9685 120 R 4.6759 7.8727 115.6533 55.7791 32.1084 177.8678 121 Q 4.0457 8.3175 116.4517 58.3100 28.8654 176.7620 122 A 4.3196 8.3833 118.9590 50.9901 19.0067 176.4923 123 W 3.7638 8.0131 115.6661 58.5335 27.0611 174.9468 124 E 4.0096 8.3746 116.6750 57.2519 29.5445 176.9013 125 T 5.0218 7.9971 118.2296 61.9345 73.0588 173.1815 126 I 4.7340 8.6205 124.7586 59.7533 40.8024 174.1501 127 C 5.5545 8.9056 123.7286 57.9694 30.9188 173.0404 128 K 4.8723 8.8103 122.5949 53.8427 35.4996 174.6537 129 P 4.7457 0.0000 0.0000 62.7098 33.0077 175.0962 130 I 4.9815 8.5462 122.0072 59.6856 40.6271 175.0977 131 V 4.8014 9.0411 125.2773 61.3993 34.7263 173.9557 132 I 4.7453 9.2370 129.5948 59.8212 39.1011 175.8566 133 E 4.7632 8.6734 127.3617 55.0517 31.3759 176.0573 134 D 4.6032 8.6191 119.8148 55.4459 42.4422 176.7219 135 D 4.8553 8.9291 118.5350 54.8460 39.1513 173.4409 136 V 4.6691 7.6961 117.9642 61.6076 33.7000 173.9868 137 W 5.5061 8.9417 135.0000 55.7966 33.2147 174.0703 138 I 4.5566 9.5299 128.4528 59.2206 39.4809 176.1387 139 G 4.1522 8.5916 115.3792 45.6948 0.0000 172.9817 140 G 3.9468 8.6367 106.5819 45.5064 0.0000 173.1341 141 N 4.6618 8.8342 115.6835 53.1037 38.3352 173.6588 142 V 4.3945 7.3047 115.2143 61.5627 33.5676 174.4730 143 V 4.4192 8.5843 126.9570 61.0729 33.9430 174.2112 144 I 4.5042 8.0185 128.6138 59.6421 39.5750 175.4501 145 N 5.4204 8.6092 125.6872 51.5896 40.4522 174.8874 146 Q 4.0274 8.6586 117.4170 56.8202 30.0371 176.6638 147 G 4.5059 8.6168 106.8570 45.6209 0.0000 173.1380 148 V 4.5338 7.1490 119.0572 61.2146 33.9734 174.6561 149 T 5.0761 9.4017 124.0455 61.9265 71.4669 173.0469 150 I 4.4581 9.0349 128.8500 59.6573 38.2554 175.9434 151 G 4.0843 9.1667 115.6820 45.6522 0.0000 172.4727 152 A 4.2770 8.6203 124.0394 52.8859 19.3869 178.1754 153 R 4.5590 8.4533 117.0443 56.7819 28.5425 176.5499 154 S 4.8331 7.4777 113.2004 57.3912 65.7974 173.1843 155 V 4.8923 8.6617 119.9321 61.3066 35.1655 174.0593 156 V 4.5668 8.3648 127.0307 60.6316 33.3915 174.6710 157 A 4.1111 8.3827 129.8324 51.9683 19.3667 176.7344 158 A 3.9120 8.4167 123.1739 53.8985 18.8672 177.1111 159 N 4.7736 8.6491 117.5361 54.1597 38.4789 174.4653 160 S 4.6450 7.4518 112.6076 57.7418 64.8749 173.1714 161 V 4.7356 8.1509 121.1885 61.1932 34.2738 174.3421 162 V 4.3925 8.8369 128.7983 61.7629 32.2317 175.7077 163 N 4.7585 8.9332 125.1757 53.4310 40.1109 174.5872 164 Q 4.6684 7.5499 114.1332 53.8227 32.0868 174.2459 165 D 4.5651 8.5998 118.9745 54.8274 41.9017 176.5259 166 V 4.3199 8.3347 122.0264 60.4476 33.3588 173.6083 167 P 4.7402 0.0000 0.0000 62.0135 32.0472 174.5470 168 P 4.5819 0.0000 0.0000 62.5981 32.7385 175.3898 169 D 4.6725 8.9800 118.3085 55.0643 39.1033 173.6398 170 T 5.0834 7.9163 113.1248 61.6861 73.3595 172.9280 171 L 5.0502 8.6187 125.9856 53.5343 44.4543 175.6877 172 V 4.9196 8.2966 118.4991 60.0125 36.0559 174.6201 173 G 4.4078 9.1130 108.2966 46.3191 0.0000 173.5516 174 G 4.2145 9.0168 106.6522 44.8764 0.0000 172.0959 175 T 4.8315 7.8445 114.3677 60.7416 70.6669 173.0000 176 P 4.7023 0.0000 0.0000 62.0961 32.4525 176.1448 177 A 4.3633 8.5447 123.3236 52.7276 19.0352 177.2455 178 R 4.7259 8.8402 118.7543 53.9859 35.1051 174.9010 179 I 4.0918 8.4201 122.1273 62.0852 37.0783 175.6505 180 L 4.5614 8.9957 126.5364 56.1948 43.7388 176.5199 181 R 4.5553 7.5791 116.0956 55.4164 33.7618 173.2870 182 S 4.9320 8.5475 117.5350 57.1450 63.3437 173.5455 183 L 4.5890 8.8882 126.2325 54.4265 42.0524 176.9818 184 K 4.1714 7.7917 120.5817 56.3419 32.8631 176.2176 185 D 4.4411 8.3405 121.2693 54.4348 41.4980 175.2955 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 4 S 8.19 4.48 0.00 4.01 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 5 E 8.79 3.85 0.00 2.11 2.17 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 2.36 2.37 0.00 6 L 8.09 3.88 0.00 1.51 1.63 0.67 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.29 4.02 0.00 2.11 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 2.29 2.31 0.00 8 K 7.98 4.18 0.00 2.07 1.95 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.62 7.81 *10 L 7.97 4.09 0.00 1.73 1.70 0.73 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.84 4.29 0.00 1.85 1.82 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.48 7.81 12 G 8.04 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.10 4.70 0.00 2.16 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.41 0.00 14 H 8.56 4.43 0.00 3.18 3.20 0.00 5.65 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 F 7.89 5.13 0.00 3.17 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 16 D 9.62 4.68 0.00 2.77 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 17 G 8.82 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 0.00 0.00 0.00 18 A 7.87 4.38 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 19 S 7.82 4.25 0.00 3.98 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.59 4.00 1.34 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 0.00 0.00 0.00 21 E 8.14 3.93 0.00 2.05 1.95 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 2.36 2.40 0.00 22 I 7.51 3.86 2.09 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.55 1.16 0.00 0.00 23 E 8.68 4.06 0.00 2.28 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 0.00 2.35 2.41 0.00 24 A 8.16 4.01 1.40 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 0.00 0.00 25 L 7.73 3.98 0.00 1.88 2.06 0.98 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 26 R 8.40 3.95 0.00 2.10 2.16 0.00 3.36 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.53 0.00 27 S 7.96 4.13 0.00 4.18 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 28 Q 8.42 3.91 0.00 2.10 2.30 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 2.39 0.00 29 A 8.30 4.06 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.02 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 R 7.89 3.86 0.00 1.90 2.07 0.00 3.10 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 32 L 7.96 3.89 0.00 1.65 1.59 0.87 0.62 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 33 K 8.15 3.74 0.00 2.13 1.96 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.52 7.81 34 L 8.02 3.94 0.00 1.91 1.77 0.93 0.90 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 35 E 8.13 3.98 0.00 2.08 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 2.33 2.33 0.00 36 I 8.32 3.86 1.99 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.65 0.88 0.00 0.00 37 N 8.42 4.47 0.00 2.68 2.89 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 38 Q 7.37 4.48 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.83 0.00 0.00 0.00 0.00 0.00 2.32 2.48 0.00 39 S 7.35 4.32 0.00 3.94 3.81 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 40 L 8.45 4.38 0.00 1.63 1.70 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 41 D 7.64 4.80 0.00 2.68 2.67 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 42 E 8.83 3.98 0.00 2.15 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 2.40 2.48 0.00 43 A 8.02 4.05 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.35 3.90 0.00 2.08 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 0.00 2.38 2.38 0.00 45 R 8.57 3.85 0.00 2.05 2.06 0.00 3.31 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 46 Y 8.18 3.85 0.00 3.27 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 47 A 8.10 4.06 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 48 L 8.19 3.89 0.00 1.76 1.64 0.93 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 8.21 3.50 0.00 2.09 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.12 2.23 0.00 50 R 7.80 3.91 0.00 1.79 1.91 0.00 2.70 0.00 0.00 3.33 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 51 E 7.40 4.06 0.00 1.99 1.88 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 2.28 2.28 0.00 52 L 7.69 3.92 0.00 1.44 1.00 0.80 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 53 F 6.33 5.32 0.00 3.02 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 54 G 8.98 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 H 7.77 4.90 0.00 3.22 3.08 0.00 5.86 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 7.78 4.54 0.00 1.49 1.30 0.65 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 57 G 8.53 4.06 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 66 F 9.00 4.87 0.00 3.00 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 67 H 8.10 5.03 0.00 2.99 3.01 0.00 5.67 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 C 8.42 4.55 0.00 3.21 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 69 E 8.98 4.04 0.00 1.80 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 1.53 2.04 0.00 70 F 8.77 4.76 0.00 3.06 3.03 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 71 G 8.84 4.57 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 0.00 72 K 7.98 4.07 0.00 1.86 1.91 0.00 1.71 0.00 0.00 2.09 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.56 1.40 7.81 73 T 8.02 4.45 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 74 I 7.58 4.83 2.21 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.94 0.72 0.00 0.00 75 R 8.82 4.95 0.00 1.71 1.80 0.00 3.08 0.00 0.00 3.16 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 76 I 8.60 4.64 1.53 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 0.85 0.30 0.74 0.00 0.00 77 G 8.45 4.19 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 0.00 0.00 0.00 78 D 8.71 4.83 0.00 2.51 2.48 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 0.00 0.00 0.00 0.00 79 H 8.78 4.26 0.00 3.08 3.30 0.00 5.56 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 80 T 8.25 5.06 4.20 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 1.22 0.00 0.00 81 F 9.37 5.24 0.00 3.09 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 82 I 8.08 4.55 1.61 0.00 0.00 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0.00 2.84 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 0.00 110 T 9.00 4.38 4.50 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 1.42 0.00 0.00 111 A 8.03 5.06 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 S 8.82 4.58 0.00 4.02 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 0.00 113 H 8.41 5.32 0.00 3.04 3.16 0.00 5.76 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 S 8.64 4.33 0.00 3.86 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 0.00 115 L 8.37 4.09 0.00 1.70 1.74 0.94 1.05 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 0.00 116 D 8.15 4.59 0.00 2.69 2.54 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 0.00 117 Y 8.71 4.21 0.00 3.25 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 0.00 118 R 7.08 3.64 0.00 1.62 1.77 0.00 2.94 0.00 0.00 3.02 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.50 0.00 119 R 7.67 4.60 0.00 1.86 1.91 0.00 3.09 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.50 0.00 120 R 7.87 4.68 0.00 2.11 1.94 0.00 3.09 0.00 0.00 3.41 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 121 Q 8.32 4.05 0.00 2.04 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.34 0.00 0.00 0.00 0.00 0.00 2.47 2.39 0.00 122 A 8.38 4.32 1.16 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 0.00 0.00 0.00 123 W 8.01 3.76 0.00 3.48 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 0.00 124 E 8.37 4.01 0.00 2.11 1.81 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 2.11 2.26 0.00 125 T 8.00 5.02 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 1.35 0.00 0.00 126 I 8.62 4.73 1.90 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.14 0.94 0.00 0.00 127 C 8.91 5.55 0.00 2.89 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 0.00 128 K 8.81 4.87 0.00 1.69 1.69 0.00 1.91 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.41 7.81 129 P 0.00 4.75 0.00 2.10 2.08 0.00 3.56 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 130 I 8.55 4.98 2.06 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.91 1.14 0.00 0.00 131 V 9.04 4.80 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 1.01 0.00 0.00 0.96 0.00 0.00 132 I 9.24 4.75 1.97 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 1.50 1.22 1.01 0.00 0.00 133 E 8.67 4.76 0.00 2.10 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 2.34 2.31 0.00 134 D 8.62 4.60 0.00 2.64 2.66 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 0.00 135 D 8.93 4.86 0.00 2.90 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 0.00 136 V 7.70 4.67 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 1.12 0.00 0.00 1.10 0.00 0.00 137 W 8.94 5.51 0.00 3.45 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 0.00 138 I 9.53 4.56 2.00 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 1.14 0.64 0.89 0.00 0.00 139 G 8.59 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 0.00 0.00 0.00 140 G 8.64 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 0.00 0.00 0.00 141 N 8.83 4.66 0.00 2.94 2.81 0.00 0.00 6.72 8.12 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 0.00 142 V 7.30 4.39 1.99 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 0.70 0.00 0.00 0.98 0.00 0.00 143 V 8.58 4.42 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.89 0.00 0.00 144 I 8.02 4.50 0.97 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 -0.02 0.63 0.00 0.00 145 N 8.61 5.42 0.00 2.78 2.80 0.00 0.00 7.10 7.26 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 0.00 146 Q 8.66 4.03 0.00 2.22 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.35 0.00 0.00 0.00 0.00 0.00 2.45 2.40 0.00 147 G 8.62 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.15 4.53 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 1.02 0.00 0.00 149 T 9.40 5.08 4.25 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 1.23 0.00 0.00 150 I 9.03 4.46 1.90 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 1.13 0.61 0.92 0.00 0.00 151 G 9.17 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 0.00 152 A 8.62 4.28 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 0.00 153 R 8.45 4.56 0.00 2.22 2.05 0.00 3.14 0.00 0.00 3.28 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 154 S 7.48 4.83 0.00 3.97 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 0.00 155 V 8.66 4.89 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 0.39 0.00 0.00 1.13 0.00 0.00 156 V 8.36 4.57 1.95 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 0.87 0.00 0.00 0.85 0.00 0.00 157 A 8.38 4.11 1.19 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 0.00 0.00 158 A 8.42 3.91 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 0.00 159 N 8.65 4.77 0.00 2.82 2.88 0.00 0.00 7.18 7.30 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 0.00 160 S 7.45 4.65 0.00 3.70 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 0.00 161 V 8.15 4.74 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 1.05 0.00 0.00 0.91 0.00 0.00 162 V 8.84 4.39 1.95 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 0.94 0.00 0.00 0.83 0.00 0.00 163 N 8.93 4.76 0.00 2.72 2.83 0.00 0.00 6.92 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 0.00 164 Q 7.55 4.67 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.78 0.00 0.00 0.00 0.00 0.00 2.20 2.36 0.00 165 D 8.60 4.57 0.00 2.57 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 0.00 166 V 8.33 4.32 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 1.00 0.00 0.00 0.89 0.00 0.00 167 P 0.00 4.74 0.00 1.97 1.97 0.00 3.72 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 2.02 2.11 0.00 168 P 0.00 4.58 0.00 1.95 2.15 0.00 3.84 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 169 D 8.98 4.67 0.00 2.84 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 0.00 170 T 7.92 5.08 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 1.20 0.00 0.00 171 L 8.62 5.05 0.00 1.74 1.47 0.81 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 172 V 8.30 4.92 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 0.61 0.00 0.00 0.87 0.00 0.00 173 G 9.11 4.41 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 0.00 174 G 9.02 4.21 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 0.00 0.00 0.00 175 T 7.84 4.83 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 0.00 176 P 0.00 4.70 0.00 2.05 2.04 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 177 A 8.54 4.36 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 0.00 178 R 8.84 4.73 0.00 1.64 1.75 0.00 3.28 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 179 I 8.42 4.09 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 1.33 0.45 0.90 0.00 0.00 180 L 9.00 4.56 0.00 1.57 1.66 0.88 0.78 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 0.00 181 R 7.58 4.56 0.00 1.84 1.71 0.00 3.17 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 182 S 8.55 4.93 0.00 3.92 3.74 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 0.00 183 L 8.89 4.59 0.00 1.58 1.70 1.05 0.89 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 0.00 184 K 7.79 4.17 0.00 1.69 1.71 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.38 7.81 185 D 8.34 4.44 0.00 2.61 2.45 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 * Residues marked with a * may have inaccurate shift predictions.