NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.3067 8.3193 115.2801 57.9761 64.5378 173.8321 -1 N 4.4671 7.6495 117.7185 50.9747 38.6104 174.6694 0 A 4.0807 8.9308 118.9932 52.5954 18.8511 180.7238 0 E 4.1107 9.1108 115.3932 56.6954 29.6511 179.5238 3 A 3.8811 7.9594 120.3110 55.0096 18.3079 179.4675 4 L 3.7375 7.6467 118.2704 58.1817 42.1831 179.1244 5 K 3.7990 7.7743 117.9449 59.2180 31.9624 178.9310 6 R 3.8202 7.8100 118.4048 59.4698 29.9988 178.3366 7 K 3.6519 7.8060 117.9571 59.5055 31.9345 179.3355 8 I 3.9642 7.8317 119.8531 64.5200 36.8666 178.3272 9 E 4.0587 8.3610 118.3552 59.6284 29.4143 179.0907 10 E 4.1849 8.6093 117.5778 58.7106 29.7048 177.7184 11 E 4.6992 8.6339 115.5515 55.9277 32.0315 176.7428 12 G 3.9280 8.1780 106.5302 46.3000 0.0000 173.3465 13 V 4.4857 8.8505 124.1773 60.6963 34.1061 174.6137 14 V 4.1679 8.5162 128.7310 62.7434 31.2495 175.4743 15 L 4.3662 8.5747 128.7000 56.2031 42.2233 176.2129 16 S 4.5351 7.2950 110.9244 57.7301 65.1511 175.6626 17 D 4.0268 8.5017 119.0292 56.7216 40.4990 178.0081 18 Q 4.8692 7.5763 115.0163 55.1704 30.8705 175.2708 19 V 4.3229 7.7128 119.0998 60.7696 34.1964 173.7271 20 L 5.0887 8.5423 129.9763 53.2125 43.9859 175.1040 21 K 4.3911 9.2788 128.8548 54.9496 33.7163 176.9854 22 V 4.7072 7.9525 123.3242 61.1708 32.1097 177.4229 23 D 4.4643 8.3913 121.2213 56.4384 41.1983 178.8101 24 S 4.3731 7.9178 112.9926 59.7695 63.8278 174.6966 25 F 5.0013 7.5872 112.8604 55.7621 39.5321 175.5977 26 L 4.3276 7.6850 120.9143 55.9623 43.6700 176.5468 27 N 4.8451 7.8182 110.8206 52.6459 39.4220 173.5623 28 H 5.0783 7.7628 117.0921 57.2995 36.3593 172.9345 29 Q 4.3751 8.4580 120.1472 55.3856 30.0027 174.3896 30 I 4.6415 8.2325 125.6612 59.5931 40.1537 174.8487 31 D 4.6201 8.7089 127.3513 52.4073 40.3422 174.2098 32 P 4.4001 0.0000 0.0000 65.3058 32.0902 178.2073 33 L 4.0701 8.1650 119.7902 58.0913 42.2299 179.8290 34 L 3.7864 7.8815 118.8026 55.2893 41.6018 178.3963 *36 Q 4.2386 8.2780 119.2845 55.7113 30.9349 177.1938 37 R 3.9065 7.9757 116.7759 59.2263 29.9713 179.0487 38 I 3.5227 8.0479 119.9561 64.2995 37.0492 178.7077 39 G 3.8978 8.0338 105.9032 47.6633 0.0000 175.2249 40 D 4.3904 8.5221 121.9117 56.9185 40.7534 178.6591 41 E 3.8735 8.1557 119.8496 59.2304 29.8069 178.6989 42 F 4.6201 8.0322 117.6777 60.7890 38.7420 177.4744 43 A 4.1579 8.5384 120.5831 55.3045 17.9672 179.5412 44 S 4.0868 8.0610 110.4883 61.7949 62.5462 176.4621 45 R 4.0266 8.0551 119.5078 58.0974 30.0986 177.4947 46 F 5.4578 8.2139 114.5718 56.3253 39.5370 177.0610 47 A 4.0569 7.7853 126.4247 54.9713 18.0974 179.4831 48 K 4.4766 7.9889 111.4706 56.6099 32.6459 176.3943 49 D 4.7581 8.2638 118.4931 53.4399 41.0157 176.8359 50 G 3.8716 8.1573 106.5792 46.2916 0.0000 174.5121 51 I 3.9810 8.0998 120.1181 61.6663 37.5699 176.2465 52 T 4.5386 8.3150 114.5988 61.9842 70.5772 174.4077 53 K 4.5905 7.6655 120.9987 55.6222 35.7811 173.6160 54 I 4.8809 8.5934 127.2923 59.6576 39.7249 174.7011 55 V 4.7791 8.4174 125.8131 61.6745 34.4073 174.4753 56 T 5.1362 8.9661 121.3450 61.0548 71.0446 171.5226 57 I 5.1430 8.1484 119.2824 58.9597 41.6216 175.5335 58 E 4.2439 8.9763 126.6139 56.8270 30.3864 177.2895 59 S 4.4687 8.4500 115.6379 60.4503 64.1310 177.0978 60 S 4.3046 8.0172 117.3380 61.2388 62.5988 176.6501 61 G 3.8966 7.6085 109.5505 46.6190 0.0000 175.9241 62 I 3.6025 7.5835 122.0275 64.2886 36.9001 178.0542 63 A 3.9663 7.8646 119.6780 54.7918 18.4024 177.4750 64 P 4.3964 0.0000 0.0000 65.8122 31.6162 178.1017 65 A 4.1902 8.0783 120.8649 54.7251 18.3544 181.3465 66 V 3.9477 8.1343 117.7015 62.2898 31.3858 178.5479 *68 T 4.4970 8.0071 117.3503 64.7650 70.6401 176.6376 69 G 3.6552 8.4559 108.3008 47.6634 0.0000 175.2592 70 L 3.9709 8.1082 122.1669 57.9439 42.1779 178.8220 71 K 4.1240 7.9174 117.5948 59.5100 32.3928 178.3718 72 L 4.2473 8.0026 118.0265 55.3196 41.7831 177.1695 73 G 3.8359 8.3119 106.3485 46.6659 0.0000 173.4387 74 V 4.6326 7.4615 110.0085 58.3012 35.7852 174.3336 75 P 4.5626 0.0000 0.0000 62.5918 32.9041 175.3717 76 V 4.7652 8.2187 120.8547 61.2069 34.1153 174.5859 77 V 4.4276 9.1737 128.4990 61.0032 33.6789 173.9487 78 F 5.4375 8.3919 122.9135 54.8898 39.5254 175.6112 79 A 4.3327 9.1037 126.0366 52.1401 19.7451 176.2004 80 R 5.1078 8.8675 119.1064 54.7091 32.6061 177.4094 81 K 4.4060 9.6556 121.1562 57.1492 33.2218 176.4400 82 H 5.0326 7.7680 114.0308 52.7662 32.4442 173.0903 83 K 3.8636 8.7182 120.1605 57.7932 32.3699 176.0475 84 S 4.7851 8.1891 115.2335 55.9790 66.4861 173.7146 85 L 4.0812 8.7325 122.1619 57.8059 41.7274 177.5186 86 T 4.4080 7.7380 104.3446 61.1452 69.6780 174.3685 87 L 4.3390 7.2306 125.3834 54.1434 40.4718 175.3941 88 T 4.6043 8.0819 112.4563 60.3840 70.5333 173.7400 89 D 4.7535 7.4681 119.5136 52.0074 42.6826 173.6754 90 N 4.1671 8.7374 112.7712 54.0173 36.2477 174.1145 91 L 4.5732 8.0334 117.3676 54.9415 42.4517 176.5952 92 L 4.8344 9.3418 124.9029 53.1319 43.8035 175.7421 93 T 5.2445 8.5679 113.0789 59.8772 71.9922 173.0573 94 A 4.7922 8.7391 123.4883 50.4279 23.0777 175.1748 95 S 5.0035 8.6614 116.5179 57.7357 64.4363 173.9515 96 V 4.4212 9.3015 124.6252 61.1719 34.1402 173.4800 97 Y 5.0881 8.2748 126.1502 55.4411 39.8378 174.8459 98 S 4.5372 8.9024 118.4351 56.2979 63.6430 174.9520 99 F 4.4651 8.3950 127.2660 57.3114 37.8966 175.2269 *103 T 4.4501 7.6046 119.9016 62.7937 71.4978 175.4031 104 E 5.2914 8.1664 119.9085 54.4067 32.3059 175.0763 105 S 4.7964 9.3959 119.0796 56.8458 67.2792 172.0552 106 Q 5.1710 8.6193 121.4748 54.3928 30.8103 174.4502 107 I 4.9427 8.6093 118.5179 59.2648 41.0828 174.1528 108 A 5.2453 8.7088 124.0679 50.6238 23.0508 175.3004 109 V 4.5620 8.7188 119.7982 60.9014 35.7926 174.7052 110 S 4.5852 8.6413 121.7352 57.6612 62.9286 175.1373 111 G 3.7701 9.4946 118.3495 48.0028 0.0000 175.4522 112 T 3.7869 7.7837 116.0294 66.3657 68.5099 174.5827 113 H 4.8708 7.9012 116.0515 55.1478 28.9375 174.5283 114 L 4.7797 7.6670 119.7543 53.2736 45.3121 175.5926 115 S 4.8239 9.1029 117.6604 55.8836 65.9472 174.4264 116 D 4.8750 8.4228 118.0986 54.5852 39.1413 177.0558 117 Q 4.2164 7.8341 118.4400 57.3167 29.4454 175.6071 118 D 4.7272 8.0085 119.3494 53.7478 42.8133 175.1297 119 H 5.2807 9.0260 122.1786 53.7114 32.3122 172.2831 120 V 4.5961 8.8431 127.0570 61.2015 33.8233 174.1218 121 L 4.5974 8.3243 129.7663 53.4265 43.7233 175.0938 122 I 4.5610 8.1477 128.0030 60.7126 38.5690 175.0266 123 I 4.7197 8.2729 127.2177 59.5393 40.1061 174.3935 124 D 4.7787 8.7897 124.8654 52.9615 45.0434 175.7628 125 D 4.3455 9.0049 121.9981 56.1688 40.4099 175.8362 126 F 5.2504 8.2136 116.7953 54.6560 42.2118 174.3955 127 L 4.5344 8.9887 124.1252 55.0323 44.3805 174.8396 128 A 4.4509 8.9139 126.4302 52.5456 20.7911 177.2220 129 N 4.2171 9.6075 121.1198 53.5123 39.9972 176.4937 130 G 3.9511 8.2797 106.2667 45.8156 0.0000 175.2061 131 Q 3.9268 8.0123 119.7348 58.7494 28.6226 178.2939 132 A 3.9624 7.9268 121.1455 54.9219 18.3870 179.3498 133 A 3.8314 7.8647 118.8008 55.6910 18.4591 179.2630 134 H 4.1665 8.2936 114.8494 58.9988 28.7319 178.2716 135 G 3.5732 8.0714 107.3694 47.8424 0.0000 175.8056 136 L 3.9625 8.0468 121.8613 57.2252 41.5405 179.6579 137 V 3.3996 7.9387 118.5547 66.0085 31.3631 177.8243 138 S 4.0866 8.2462 112.9494 61.6527 62.2423 176.2319 139 I 3.6811 7.8303 122.2838 64.3519 36.7467 178.6532 140 V 3.5647 7.7985 119.0035 65.9496 31.4051 178.1849 141 K 3.9946 8.2293 118.3286 59.6785 31.6603 179.2928 142 Q 4.0294 8.3160 117.5034 58.7872 28.7227 178.2048 143 A 4.2253 7.7235 119.2539 52.6455 18.7247 178.4165 144 G 3.8027 8.2014 105.9349 45.0832 0.0000 173.4106 145 A 4.6473 7.4783 120.9736 51.3923 19.9559 177.4388 146 S 4.8198 8.7440 113.9003 57.0656 66.0898 173.1032 147 I 4.3679 8.2311 121.4515 59.8308 37.8821 175.7021 148 A 4.1584 9.1673 130.5129 52.6009 19.3682 177.3432 149 G 4.1552 6.8101 100.7433 46.5780 0.0000 171.0858 150 I 4.8606 8.5262 120.5326 59.3280 40.4906 175.2133 151 G 3.9134 9.0562 115.3328 44.3565 0.0000 172.2902 152 I 5.0640 8.8227 125.5687 59.6965 40.7072 176.5623 153 V 3.7339 8.8843 127.6231 65.6986 32.4502 175.5074 154 I 4.8985 8.1095 121.4995 59.2696 40.4192 173.6211 155 E 4.9151 9.4691 128.6013 54.4348 32.2442 175.0533 156 K 4.6205 8.8811 127.3163 55.0505 31.7458 177.6858 157 S 4.2259 9.0552 122.5519 60.4804 62.9845 175.8065 158 F 4.5676 7.7604 113.5109 57.4123 38.3554 175.3151 159 Q 4.5471 6.9748 120.7382 53.6488 30.7659 174.6107 160 P 4.5255 0.0000 0.0000 64.1861 31.4181 178.5558 161 G 3.6544 7.9499 106.9857 48.1172 0.0000 175.5018 162 R 3.8871 7.9009 121.1516 59.2043 30.1290 178.0123 163 D 4.3900 8.1379 118.0264 57.4514 40.7295 178.6431 164 E 4.0156 8.1611 118.7711 59.4567 29.5128 179.4674 165 L 4.1653 7.8011 118.5786 57.7929 41.6892 179.6164 166 V 3.7856 8.1464 118.5550 66.0819 31.2385 177.9704 167 K 3.9518 8.1159 118.1781 59.2779 32.1080 177.8956 168 L 4.2669 7.4917 116.3445 55.0288 41.8038 177.5986 169 G 3.8149 7.9499 107.8140 44.9737 0.0000 172.9843 170 Y 4.6516 7.2959 117.2409 56.8639 39.3537 175.4300 171 R 4.1917 8.8459 124.3080 56.2755 31.3614 174.9089 172 V 4.8401 8.5388 126.9164 61.3159 33.5433 174.6620 173 E 4.6813 9.7283 128.5450 55.0052 31.3599 174.6589 174 S 5.2623 8.5369 120.6828 56.8950 64.0390 174.7501 175 L 4.2658 8.9996 125.4267 56.6302 42.5457 177.3738 176 A 4.7529 8.2829 120.5508 50.0183 22.1987 175.2582 177 R 5.0432 8.9033 121.4902 54.6238 33.1500 174.8375 178 I 4.5701 9.0857 126.1608 60.0306 38.3712 176.7229 179 Q 4.2143 9.2581 129.8195 58.9333 29.7704 175.9437 180 S 3.9536 7.7193 110.7747 56.8371 65.7563 174.9698 181 L 5.0951 7.4793 123.8475 53.6396 42.2358 176.6897 182 E 4.2067 7.6192 118.4500 56.7819 29.8250 176.9084 183 E 3.7689 9.3579 118.3361 57.0967 26.9807 174.8721 184 G 3.9459 8.2745 104.3564 46.2999 0.0000 173.9690 185 K 4.5384 7.5874 119.0383 53.8916 35.4266 174.9414 186 V 3.9605 8.2537 124.7760 62.3809 32.3937 174.8097 187 S 4.6781 8.7407 123.2618 56.5037 64.4334 173.2221 188 F 5.0429 8.7747 125.6448 56.4190 40.2522 175.7554 189 V 3.7902 8.5594 122.0115 62.9997 31.8545 175.9522 190 Q 4.1723 8.8510 128.3607 56.3076 29.6295 175.1210 191 E 4.7561 8.4478 123.0346 54.3358 32.6499 176.4319 192 V 3.8370 8.3578 120.9931 61.9963 31.7449 175.9366 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 S 8.32 4.31 0.00 3.81 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 -1 N 7.65 4.47 0.00 3.01 2.90 0.00 0.00 6.18 6.26 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 A 8.93 4.08 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 0 E 9.11 4.11 0.00 1.71 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 2.36 2.24 0.00 3 A 7.96 3.88 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 L 7.65 3.74 0.00 1.81 1.62 1.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 5 K 7.77 3.80 0.00 1.67 1.34 0.00 1.41 0.00 0.00 1.17 0.00 0.00 2.55 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.30 1.08 7.81 6 R 7.81 3.82 0.00 1.90 2.01 0.00 3.14 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 1.77 1.68 0.00 7 K 7.81 3.65 0.00 1.49 0.74 0.00 1.05 0.00 0.00 1.48 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.14 1.07 7.81 8 I 7.83 3.96 2.34 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.98 1.10 0.00 0.00 9 E 8.36 4.06 0.00 2.14 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 2.54 2.74 0.00 10 E 8.61 4.18 0.00 2.02 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 2.33 2.39 0.00 11 E 8.63 4.70 0.00 2.20 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 2.28 2.23 0.00 12 G 8.18 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 13 V 8.85 4.49 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 0.81 0.00 0.00 1.03 0.00 0.00 14 V 8.52 4.17 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 0.87 0.00 0.00 0.93 0.00 0.00 15 L 8.57 4.37 0.00 1.67 1.69 0.90 0.72 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 16 S 7.29 4.54 0.00 3.93 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 17 D 8.50 4.03 0.00 2.74 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 18 Q 7.58 4.87 0.00 1.88 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.60 0.00 0.00 0.00 0.00 0.00 2.33 2.49 0.00 19 V 7.71 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 0.87 0.00 0.00 0.89 0.00 0.00 20 L 8.54 5.09 0.00 1.77 1.74 1.05 0.82 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 21 K 9.28 4.39 0.00 1.82 1.82 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.40 7.81 22 V 7.95 4.71 1.02 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 0.94 0.00 0.00 0.94 0.00 0.00 23 D 8.39 4.46 0.00 2.71 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 24 S 7.92 4.37 0.00 4.08 4.07 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 25 F 7.59 5.00 0.00 3.24 3.27 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 26 L 7.69 4.33 0.00 1.12 1.39 0.95 0.62 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 27 N 7.82 4.85 0.00 2.86 2.80 0.00 0.00 6.99 8.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 H 7.76 5.08 0.00 3.03 3.40 0.00 5.91 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 29 Q 8.46 4.38 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.35 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 30 I 8.23 4.64 1.88 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 1.23 0.79 0.94 0.00 0.00 31 D 8.71 4.62 0.00 2.81 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 32 P 0.00 4.40 0.00 2.09 2.10 0.00 3.75 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 2.03 2.08 0.00 33 L 8.17 4.07 0.00 1.71 1.77 0.95 0.53 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 34 L 7.88 3.79 0.00 1.87 1.81 0.83 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 *36 Q 8.28 4.24 0.00 2.15 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.42 6.68 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 37 R 7.98 3.91 0.00 2.03 1.90 0.00 3.15 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 38 I 8.05 3.52 1.84 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 1.31 0.63 0.76 0.00 0.00 39 G 8.03 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 48 K 7.99 4.48 0.00 1.74 1.85 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.51 7.81 49 D 8.26 4.76 0.00 3.11 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 50 G 8.16 3.87 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 0.00 0.00 0.00 51 I 8.10 3.98 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 1.68 0.85 0.88 0.00 0.00 52 T 8.32 4.54 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 1.30 0.00 0.00 53 K 7.67 4.59 0.00 1.79 1.59 0.00 1.68 0.00 0.00 1.87 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.57 7.81 54 I 8.59 4.88 1.84 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.86 0.85 0.00 0.00 55 V 8.42 4.78 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 0.90 0.00 0.00 0.88 0.00 0.00 56 T 8.97 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110 S 8.64 4.59 0.00 3.85 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 0.00 111 G 9.49 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 0.00 0.00 0.00 112 T 7.78 3.79 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 1.09 0.00 0.00 113 H 7.90 4.87 0.00 3.11 3.25 0.00 5.62 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 L 7.67 4.78 0.00 1.54 1.50 0.89 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 115 S 9.10 4.82 0.00 3.94 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 0.00 116 D 8.42 4.87 0.00 2.91 2.84 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 0.00 117 Q 7.83 4.22 0.00 2.10 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 118 D 8.01 4.73 0.00 2.77 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 0.00 119 H 9.03 5.28 0.00 3.21 3.32 0.00 5.80 0.00 0.00 0.00 0.00 6.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 V 8.84 4.60 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 0.76 0.00 0.00 0.89 0.00 0.00 121 L 8.32 4.60 0.00 1.37 1.23 -0.27 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 122 I 8.15 4.56 1.66 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.53 0.81 0.00 0.00 123 I 8.27 4.72 1.72 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.66 0.77 0.00 0.00 124 D 8.79 4.78 0.00 2.61 2.41 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 0.00 125 D 9.00 4.35 0.00 2.77 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 0.00 126 F 8.21 5.25 0.00 2.91 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 0.00 127 L 8.99 4.53 0.00 1.74 1.52 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 128 A 8.91 4.45 1.14 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 0.00 0.00 0.00 0.00 0.00 0.00 129 N 9.61 4.22 0.00 2.76 2.80 0.00 0.00 6.95 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 0.00 130 G 8.28 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 0.00 131 Q 8.01 3.93 0.00 1.91 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.41 1.64 0.00 132 A 7.93 3.96 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 0.00 133 A 7.86 3.83 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 0.00 134 H 8.29 4.17 0.00 3.35 3.35 0.00 5.63 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 0.00 135 G 8.07 3.57 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 0.00 136 L 8.05 3.96 0.00 1.76 1.65 0.87 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 137 V 7.94 3.40 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 1.02 0.00 0.00 0.50 0.00 0.00 138 S 8.25 4.09 0.00 3.93 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 0.00 139 I 7.83 3.68 1.96 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 1.39 0.77 0.88 0.00 0.00 140 V 7.80 3.56 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 1.00 0.00 0.00 0.88 0.00 0.00 141 K 8.23 3.99 0.00 2.07 1.87 0.00 1.88 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.63 7.81 142 Q 8.32 4.03 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.95 0.00 0.00 0.00 0.00 0.00 2.40 2.60 0.00 143 A 7.72 4.23 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 0.00 144 G 8.20 3.80 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 0.00 0.00 0.00 145 A 7.48 4.65 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 S 8.74 4.82 0.00 4.03 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 0.00 147 I 8.23 4.37 2.01 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.63 0.77 0.00 0.00 148 A 9.17 4.16 1.14 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 0.00 0.00 0.00 0.00 0.00 0.00 149 G 6.81 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 0.00 0.00 0.00 0.00 150 I 8.53 4.86 1.84 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.53 0.80 0.00 0.00 151 G 9.06 3.91 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 0.00 0.00 0.00 152 I 8.82 5.06 1.93 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.00 0.98 0.00 0.00 153 V 8.88 3.73 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 0.95 0.00 0.00 1.15 0.00 0.00 154 I 8.11 4.90 0.77 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.31 0.86 0.00 0.00 155 E 9.47 4.92 0.00 1.99 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 2.25 0.00 156 K 8.88 4.62 0.00 1.41 0.74 0.00 1.71 0.00 0.00 1.78 0.00 0.00 2.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.54 7.81 157 S 9.06 4.23 0.00 4.03 3.98 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 0.00 158 F 7.76 4.57 0.00 3.12 3.32 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 0.00 159 Q 6.97 4.55 0.00 1.86 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.98 0.00 0.00 0.00 0.00 0.00 2.15 1.61 0.00 160 P 0.00 4.53 0.00 2.40 2.26 0.00 3.71 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 1.95 1.89 0.00 161 G 7.95 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 R 7.90 3.89 0.00 1.89 1.94 0.00 3.62 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.81 0.00 163 D 8.14 4.39 0.00 2.87 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 0.00 164 E 8.16 4.02 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.60 0.00 165 L 7.80 4.17 0.00 1.86 1.83 0.86 0.98 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 0.00 166 V 8.15 3.79 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 1.02 0.00 0.00 1.02 0.00 0.00 167 K 8.12 3.95 0.00 1.93 2.05 0.00 1.86 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.49 7.81 168 L 7.49 4.27 0.00 1.92 1.61 1.19 1.49 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 0.00 169 G 7.95 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 0.00 0.00 0.00 170 Y 7.30 4.65 0.00 3.09 2.86 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 0.00 171 R 8.85 4.19 0.00 2.00 2.01 0.00 3.13 0.00 0.00 3.38 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.67 0.00 172 V 8.54 4.84 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 0.91 0.00 0.00 1.00 0.00 0.00 173 E 9.73 4.68 0.00 2.20 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 0.00 2.38 2.36 0.00 174 S 8.54 5.26 0.00 3.80 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 0.00 175 L 9.00 4.27 0.00 1.64 1.60 0.26 0.41 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 0.00 176 A 8.28 4.75 1.35 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 0.00 0.00 177 R 8.90 5.04 0.00 1.85 1.92 0.00 3.16 0.00 0.00 3.39 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 178 I 9.09 4.57 2.02 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.77 1.05 0.00 0.00 179 Q 9.26 4.21 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.56 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 180 S 7.72 3.95 0.00 3.75 3.49 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 0.00 181 L 7.48 5.10 0.00 1.68 1.57 1.09 1.05 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 0.00 182 E 7.62 4.21 0.00 1.95 1.78 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 2.49 2.01 0.00 183 E 9.36 3.77 0.00 2.08 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 2.18 2.25 0.00 184 G 8.27 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 0.00 185 K 7.59 4.54 0.00 1.66 1.55 0.00 1.62 0.00 0.00 1.54 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.29 1.34 7.81 186 V 8.25 3.96 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 -0.01 0.00 0.00 0.89 0.00 0.00 187 S 8.74 4.68 0.00 3.84 3.59 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 0.00 188 F 8.77 5.04 0.00 3.01 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 0.00 189 V 8.56 3.79 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 0.75 0.00 0.00 1.08 0.00 0.00 190 Q 8.85 4.17 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.46 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 191 E 8.45 4.76 0.00 1.94 1.79 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 2.19 2.43 0.00 192 V 8.36 3.84 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 0.68 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.