NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.4128 8.1844 120.6408 54.8457 43.1137 175.4859 8 H 4.7591 8.7076 121.2333 53.7257 32.2464 171.6766 9 K 4.5947 9.0846 127.2377 56.0512 34.2768 175.6299 10 E 4.9145 8.9926 122.2511 53.7023 33.7183 173.6967 11 P 4.9629 0.0000 0.0000 63.3605 32.3260 174.8657 12 A 4.9063 8.5375 121.8673 51.3676 23.2309 175.5598 13 T 4.5927 8.4861 114.6722 61.3702 72.1089 173.9301 14 L 4.2399 8.7619 128.8979 55.8837 42.2978 175.6598 15 I 4.3537 8.6631 126.8139 62.3272 38.8008 176.3899 16 K 4.2909 7.6485 119.0478 55.2308 34.9326 174.4156 17 A 4.3079 8.6280 129.8299 52.0756 19.4044 176.3062 18 I 4.2521 8.4314 123.6350 62.5804 37.3198 175.1232 19 D 4.6751 7.3809 117.0253 52.7818 41.5869 175.3030 20 G 4.0505 8.9475 107.0628 48.1499 0.0000 173.8479 21 D 4.9504 7.8907 115.8970 52.8063 40.4807 175.1544 22 T 5.8278 7.5952 115.2888 60.8007 72.5596 172.7426 *24 K 4.7463 8.2744 121.4798 56.6079 33.8541 175.0139 25 L 5.2503 9.5627 123.7911 53.1566 46.8344 175.3512 26 M 4.9249 9.1872 121.7385 54.7067 33.4878 174.0768 27 Y 5.0328 9.2972 128.2577 56.1960 42.1621 175.6627 28 K 3.5405 9.1494 125.2346 57.4217 29.7581 176.2964 29 G 4.0549 8.3762 105.9288 45.2029 0.0000 173.6338 30 Q 4.9098 8.1493 118.3038 53.3587 31.7819 173.3288 31 P 5.1055 0.0000 0.0000 63.4496 32.3600 175.3513 32 M 4.9453 9.6085 121.6230 54.2563 37.2279 173.5877 33 T 4.7843 8.4918 116.1441 61.1358 69.5221 173.3845 34 F 5.1155 8.8726 125.8858 55.6661 42.5541 174.1496 35 R 5.0869 8.7724 121.0906 54.2595 33.0481 174.5514 36 L 4.4588 8.6663 127.0097 54.9160 41.9942 177.2612 37 L 4.0008 8.8565 124.0295 55.3737 42.9645 177.6456 38 L 4.3285 8.7522 119.3723 54.8964 39.4395 173.9518 39 V 5.0778 7.3342 110.4165 60.0472 36.5666 174.8804 40 D 4.8298 9.0012 121.5945 53.4942 43.6151 174.5077 41 T 4.6951 8.4897 116.9250 60.1565 70.1888 173.2999 42 P 4.5074 0.0000 0.0000 62.2957 32.2632 176.2447 43 E 4.1615 9.4081 123.3613 56.7112 30.0269 177.3503 44 T 4.6058 8.3197 111.7628 60.7897 69.8893 173.6113 45 K 4.1894 7.5898 119.5816 56.5013 34.9427 175.2428 46 H 3.7794 8.4551 117.4665 56.3100 29.6515 174.2671 47 P 4.3997 0.0000 0.0000 65.5230 31.3912 178.5749 48 K 4.2155 8.4149 117.9025 58.2981 32.2929 177.1368 49 K 4.3038 7.3884 116.6589 54.8909 34.0858 177.5186 50 G 3.7981 8.2028 108.4167 44.3620 0.0000 173.4671 51 V 4.0665 8.0252 118.7810 62.1285 30.8936 176.1080 52 E 4.2632 9.2703 128.1227 55.4160 30.9194 176.4328 53 K 4.0205 8.3456 123.5017 58.1639 32.6979 176.8510 54 Y 4.5160 8.1367 122.6736 59.4485 36.2168 171.2775 55 G 3.6510 8.0230 107.4324 47.6094 0.0000 174.0650 56 P 4.2854 0.0000 0.0000 64.9394 31.3367 178.7262 57 E 3.9761 8.0532 116.7202 59.4287 29.5940 178.9763 58 A 4.0609 8.7104 121.1464 55.3624 17.8924 179.8920 59 S 4.2093 8.4122 113.5578 61.6579 62.8705 176.8109 60 A 4.0851 8.0642 123.6633 54.8271 18.1166 179.3512 61 F 3.9420 8.6044 119.4827 61.7944 39.0714 177.2905 62 T 3.9055 8.1700 115.1896 66.5987 68.2777 176.1262 63 K 3.8587 7.9509 121.2237 59.7104 32.2288 178.6285 64 K 3.8322 7.9450 118.3807 59.7450 31.7628 178.9592 65 M 3.8605 7.5864 116.9871 58.6424 32.2457 178.2077 66 V 3.9008 7.7627 110.8222 63.4081 32.0212 178.0199 67 E 4.1825 8.2353 118.1576 58.5689 29.3843 177.2039 68 N 4.6926 7.7436 113.7306 52.8895 38.7803 174.6899 69 A 4.7003 7.5588 121.2673 51.1704 20.1509 178.2599 70 K 4.2294 8.7531 120.3977 58.2177 32.8412 178.0849 71 K 4.7338 8.5140 117.4007 54.4916 36.2594 175.7246 72 I 5.1069 8.3781 124.0786 59.5935 40.8630 174.2808 73 E 5.2270 9.1366 124.7233 54.7387 33.9058 174.8941 74 V 4.5786 8.8391 116.8108 59.6143 34.7134 174.8569 75 E 4.8292 8.8293 124.4863 54.3761 32.0407 174.7903 76 F 4.5925 8.7814 125.6177 57.5596 40.0818 175.9715 77 D 4.9425 8.5229 121.1249 53.5691 43.1818 175.6813 78 K 4.4189 8.6595 116.7456 57.5935 34.0417 177.9094 79 G 4.1584 8.5567 113.1101 44.9691 0.0000 173.7927 80 Q 4.0955 8.5831 122.0322 56.4522 29.4198 176.7498 81 R 4.4615 8.3997 118.2352 56.6891 30.8976 176.0661 82 T 4.9953 7.3501 107.2060 59.7997 71.9998 173.3378 83 D 4.7419 8.5315 123.6154 51.6329 41.5150 177.1356 84 K 3.8289 8.3454 117.2824 59.6056 32.3209 177.0123 85 Y 4.3165 7.9865 116.0877 57.6102 37.8861 176.3344 86 G 3.8996 8.1913 108.0624 45.4860 0.0000 173.8043 87 R 4.3195 7.9026 119.1670 55.0060 31.6975 176.3022 88 G 3.3740 8.1066 111.2316 46.1148 0.0000 172.3686 89 L 5.2025 9.0909 123.9239 52.3248 43.2575 175.6115 90 A 4.4309 8.2866 124.2579 51.2459 23.4699 173.6208 91 Y 4.8873 8.6398 116.9250 56.8344 39.7647 175.4460 92 I 4.8469 8.3998 125.0304 59.7955 40.0539 174.2267 93 Y 5.0235 9.2602 123.6110 56.0501 41.1664 174.5254 94 A 4.9183 9.0983 125.9519 50.1365 21.3859 176.1880 95 D 4.3711 9.9388 125.0101 56.0820 39.0287 175.5932 96 G 3.9629 8.4429 104.7137 45.4594 0.0000 173.6209 97 K 4.4754 8.0878 120.8333 54.5805 33.6435 175.3764 98 M 4.0495 8.5303 123.7071 55.1778 32.9672 176.7434 99 V 3.6332 8.4779 127.5510 66.0881 31.6095 177.4775 100 N 4.2924 8.1071 115.7553 56.4643 38.4680 176.7954 101 E 3.9136 8.1061 119.6561 59.1608 29.9881 178.1614 102 A 4.0716 8.0085 120.8797 55.4523 18.3466 179.6847 103 L 3.5370 7.9207 117.1406 57.6836 41.7195 179.8552 104 V 3.7133 7.4395 118.2160 66.2069 31.3118 178.0670 105 R 3.9241 8.2617 117.1304 59.2547 29.9428 177.6765 106 Q 4.2103 7.5969 115.2782 55.7419 29.0777 176.3705 107 G 3.7766 8.0695 108.7405 46.3065 0.0000 174.4312 108 L 4.5561 7.6655 116.9823 54.0406 42.4137 176.2081 109 A 4.7394 7.5493 118.9440 50.7968 22.2631 175.7901 110 K 4.8822 8.4186 118.5956 54.3088 35.6205 176.0110 111 V 4.2620 8.8319 123.7714 63.1016 32.1786 175.0474 112 A 4.2567 9.0189 128.1913 50.7080 23.3316 174.7661 113 Y 3.3318 7.4013 113.5784 59.0304 35.0489 173.3734 114 V 3.7859 7.1803 118.8343 61.9753 31.0652 173.4475 115 Y 4.9502 7.9140 124.5391 55.5614 39.4921 176.1226 116 K 4.4417 8.7754 125.0375 56.1790 32.7625 174.8292 117 P 4.8051 0.0000 0.0000 63.0324 31.9755 176.8211 118 N 4.9268 8.0957 117.9781 52.6728 37.0024 175.1057 119 N 5.1570 7.7454 111.6308 53.0301 39.3801 177.0618 120 T 3.9455 8.3067 118.2174 67.2789 68.7970 174.5764 121 H 4.8863 8.1216 115.6636 55.5882 29.3121 175.8499 122 E 3.9831 8.7366 123.1401 59.9266 29.2570 179.1651 123 Q 3.9764 8.0656 117.2405 59.0053 28.9403 178.0141 124 H 4.0960 8.2177 118.7781 59.4869 30.0091 177.1975 125 L 3.9947 8.0453 120.5692 57.7339 41.3004 179.8602 126 R 3.9288 8.1866 118.6174 58.9548 30.1097 179.1165 127 K 3.9004 8.1934 118.8278 60.1912 32.5166 179.4404 128 S 4.0775 7.8874 116.0037 61.1587 62.6104 176.2758 129 E 3.9475 8.2294 121.9138 59.1667 29.3063 178.7493 130 A 3.6884 8.1206 121.0507 54.8311 18.3594 179.5005 131 Q 3.7696 7.7910 117.6163 59.2393 29.0992 178.1327 132 A 4.0316 8.0069 121.8244 54.9587 18.3793 179.7229 133 K 3.3453 7.8172 117.3996 59.3531 31.8843 179.8281 134 K 4.1253 7.8470 117.4757 59.4163 32.5006 177.8994 135 E 4.2909 8.0223 117.4448 54.9308 30.2261 176.0336 136 K 4.1109 8.1626 118.3233 57.2526 30.6648 175.2450 137 L 4.2691 8.3520 118.1358 55.7965 44.4951 178.7444 138 N 3.4873 9.4111 117.8855 54.0000 38.5345 176.1656 139 I 2.9663 5.4200 126.4764 64.6929 37.7547 176.7355 140 W 4.8451 7.8605 117.7743 56.6291 29.0685 176.5154 141 S 4.4482 8.1304 120.0391 58.4027 62.6478 173.9140 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 7 L 8.18 4.41 0.00 1.74 1.81 1.03 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 8 H 8.71 4.76 0.00 3.18 3.22 0.00 5.72 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 9.08 4.59 0.00 1.51 1.56 0.00 1.33 0.00 0.00 0.74 0.00 0.00 2.46 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.14 1.22 7.81 10 E 8.99 4.91 0.00 2.12 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 2.42 2.43 0.00 11 P 0.00 4.96 0.00 2.09 2.06 0.00 3.82 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 2.02 1.99 0.00 12 A 8.54 4.91 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 13 T 8.49 4.59 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 1.22 0.00 0.00 14 L 8.76 4.24 0.00 1.65 1.58 0.92 1.12 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 15 I 8.66 4.35 1.97 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 1.15 1.00 0.94 0.00 0.00 16 K 7.65 4.29 0.00 1.69 1.66 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 1.43 7.81 17 A 8.63 4.31 1.26 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 0.00 0.00 0.00 18 I 8.43 4.25 1.98 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 1.48 0.82 0.91 0.00 0.00 19 D 7.38 4.68 0.00 2.80 2.77 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 20 G 8.95 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 21 D 7.89 4.95 0.00 2.98 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 22 T 7.60 5.83 4.39 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 1.28 0.00 0.00 *24 K 8.27 4.75 0.00 1.79 1.84 0.00 1.63 0.00 0.00 1.85 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.48 1.52 7.81 25 L 9.56 5.25 0.00 1.60 1.51 0.35 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 26 M 9.19 4.92 0.00 2.14 2.00 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 2.57 2.55 0.00 27 Y 9.30 5.03 0.00 3.20 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 28 K 9.15 3.54 0.00 1.14 1.62 0.00 0.61 0.00 0.00 1.50 0.00 0.00 2.85 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.15 1.26 7.81 29 G 8.38 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 30 Q 8.15 4.91 0.00 2.06 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.99 0.00 0.00 0.00 0.00 0.00 2.32 2.47 0.00 31 P 0.00 5.11 0.00 2.15 2.15 0.00 3.79 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.03 0.00 32 M 9.61 4.95 0.00 1.81 2.21 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.53 0.00 33 T 8.49 4.78 4.28 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 1.22 0.00 0.00 34 F 8.87 5.12 0.00 3.02 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 35 R 8.77 5.09 0.00 1.87 1.71 0.00 3.35 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.60 0.00 36 L 8.67 4.46 0.00 1.60 1.61 0.99 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.86 4.00 0.00 0.99 1.24 0.31 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.75 4.33 0.00 2.00 1.83 1.16 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.33 5.08 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 0.79 0.00 0.00 0.97 0.00 0.00 40 D 9.00 4.83 0.00 2.83 2.46 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 41 T 8.49 4.70 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 42 P 0.00 4.51 0.00 2.19 2.03 0.00 3.68 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 2.13 2.03 0.00 43 E 9.41 4.16 0.00 2.08 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 2.33 2.38 0.00 44 T 8.32 4.61 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 1.22 0.00 0.00 45 K 7.59 4.19 0.00 1.84 1.69 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.36 7.81 46 H 8.46 3.78 0.00 3.14 3.23 0.00 5.69 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.40 0.00 2.17 2.08 0.00 3.33 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 2.03 2.03 0.00 48 K 8.41 4.22 0.00 1.84 1.85 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.49 7.81 49 K 7.39 4.30 0.00 1.96 1.82 0.00 1.89 0.00 0.00 1.87 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.32 7.81 50 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 51 V 8.03 4.07 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 0.78 0.00 0.00 0.97 0.00 0.00 52 E 9.27 4.26 0.00 1.93 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 53 K 8.35 4.02 0.00 1.65 1.70 0.00 1.50 0.00 0.00 1.48 0.00 0.00 2.71 0.00 0.00 2.36 0.00 0.00 0.00 0.00 1.16 0.60 7.81 54 Y 8.14 4.52 0.00 3.21 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 55 G 8.02 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 56 P 0.00 4.29 0.00 2.15 2.11 0.00 3.56 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.16 0.00 57 E 8.05 3.98 0.00 2.37 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 2.50 2.48 0.00 58 A 8.71 4.06 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 59 S 8.41 4.21 0.00 4.09 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 60 A 8.06 4.09 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 61 F 8.60 3.94 0.00 3.27 3.23 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 0.00 62 T 8.17 3.91 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 1.25 0.00 0.00 63 K 7.95 3.86 0.00 1.98 2.01 0.00 1.65 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.59 7.81 64 K 7.94 3.83 0.00 2.00 1.72 0.00 1.58 0.00 0.00 1.79 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.45 7.81 65 M 7.59 3.86 0.00 2.04 1.84 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.52 0.00 66 V 7.76 3.90 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 0.78 0.00 0.00 0.98 0.00 0.00 67 E 8.24 4.18 0.00 1.97 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 0.00 2.33 2.58 0.00 68 N 7.74 4.69 0.00 2.77 2.80 0.00 0.00 6.93 7.31 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 69 A 7.56 4.70 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 70 K 8.75 4.23 0.00 1.92 1.87 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.55 7.81 71 K 8.51 4.73 0.00 1.67 1.64 0.00 1.59 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.38 7.81 72 I 8.38 5.11 1.99 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 1.33 1.05 0.85 0.00 0.00 73 E 9.14 5.23 0.00 1.91 1.74 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 2.19 2.25 0.00 74 V 8.84 4.58 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 0.55 0.00 0.00 75 E 8.83 4.83 0.00 2.25 2.34 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 2.50 2.42 0.00 76 F 8.78 4.59 0.00 3.09 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 D 8.52 4.94 0.00 2.68 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 78 K 8.66 4.42 0.00 1.93 1.97 0.00 1.69 0.00 0.00 1.77 0.00 0.00 3.21 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.57 1.42 7.81 79 G 8.56 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 80 Q 8.58 4.10 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 6.94 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 81 R 8.40 4.46 0.00 1.58 1.37 0.00 2.83 0.00 0.00 2.77 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.47 0.00 82 T 7.35 5.00 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 83 D 8.53 4.74 0.00 2.91 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 84 K 8.35 3.83 0.00 1.52 1.76 0.00 1.03 0.00 0.00 1.44 0.00 0.00 2.76 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.11 0.40 7.81 85 Y 7.99 4.32 0.00 3.11 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 G 8.19 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 R 7.90 4.32 0.00 2.04 1.78 0.00 3.11 0.00 0.00 3.30 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 88 G 8.11 3.37 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 0.00 89 L 9.09 5.20 0.00 1.54 1.62 0.95 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.29 4.43 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 8.64 4.89 0.00 3.01 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 92 I 8.40 4.85 1.78 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.95 0.86 0.00 0.00 93 Y 9.26 5.02 0.00 2.87 2.85 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 94 A 9.10 4.92 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 95 D 9.94 4.37 0.00 2.77 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 96 G 8.44 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 8.09 4.48 0.00 1.98 1.77 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.98 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.41 1.39 7.81 98 M 8.53 4.05 0.00 1.93 1.66 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.44 0.00 99 V 8.48 3.63 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 1.03 0.00 0.00 0.94 0.00 0.00 100 N 8.11 4.29 0.00 2.91 2.94 0.00 0.00 7.03 8.05 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 0.00 101 E 8.11 3.91 0.00 2.01 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 2.32 2.40 0.00 102 A 8.01 4.07 1.63 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 0.00 103 L 7.92 3.54 0.00 1.85 1.63 1.04 0.82 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 0.00 104 V 7.44 3.71 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 1.09 0.00 0.00 0.99 0.00 0.00 105 R 8.26 3.92 0.00 1.95 2.08 0.00 3.34 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 106 Q 7.60 4.21 0.00 1.71 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.15 0.00 0.00 0.00 0.00 0.00 2.35 1.86 0.00 107 G 8.07 3.78 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 0.00 0.00 0.00 108 L 7.67 4.56 0.00 1.32 1.52 0.45 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.55 4.74 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 0.00 110 K 8.42 4.88 0.00 1.69 1.75 0.00 1.57 0.00 0.00 1.35 0.00 0.00 2.61 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.26 1.09 7.81 111 V 8.83 4.26 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 0.76 0.00 0.00 0.96 0.00 0.00 112 A 9.02 4.26 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 Y 7.40 3.33 0.00 2.99 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 0.00 114 V 7.18 3.79 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 0.85 0.00 0.00 0.89 0.00 0.00 115 Y 7.91 4.95 0.00 3.08 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 0.00 116 K 8.78 4.44 0.00 1.80 1.80 0.00 1.81 0.00 0.00 1.81 0.00 0.00 3.10 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.53 1.42 7.81 117 P 0.00 4.81 0.00 2.21 2.16 0.00 3.80 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.00 0.00 118 N 8.10 4.93 0.00 3.00 2.88 0.00 0.00 6.91 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 N 7.75 5.16 0.00 3.07 3.00 0.00 0.00 6.13 7.48 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 0.00 120 T 8.31 3.95 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 1.09 0.00 0.00 121 H 8.12 4.89 0.00 2.91 3.10 0.00 5.64 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.74 3.98 0.00 2.12 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 2.33 2.40 0.00 123 Q 8.07 3.98 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.66 0.00 0.00 0.00 0.00 0.00 2.47 2.37 0.00 124 H 8.22 4.10 0.00 3.22 3.47 0.00 5.87 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 0.00 125 L 8.05 3.99 0.00 1.90 1.73 1.07 0.76 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 0.00 126 R 8.19 3.93 0.00 1.97 1.93 0.00 3.12 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.83 0.00 127 K 8.19 3.90 0.00 1.93 2.03 0.00 1.27 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.53 1.53 7.81 128 S 7.89 4.08 0.00 3.97 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 E 8.23 3.95 0.00 2.15 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 2.07 2.55 0.00 130 A 8.12 3.69 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 0.00 131 Q 7.79 3.77 0.00 2.27 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.00 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 132 A 8.01 4.03 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.82 3.35 0.00 1.48 1.39 0.00 1.02 0.00 0.00 0.61 0.00 0.00 2.30 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.30 0.21 7.81 134 K 7.85 4.13 0.00 1.83 1.85 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.64 1.43 7.81 135 E 8.02 4.29 0.00 2.02 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 2.29 2.44 0.00 136 K 8.16 4.11 0.00 1.83 1.89 0.00 1.75 0.00 0.00 1.94 0.00 0.00 2.99 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.56 1.55 7.81 137 L 8.35 4.27 0.00 1.77 1.70 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 138 N 9.41 3.49 0.00 2.40 1.42 0.00 0.00 7.04 7.36 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 0.00 139 I 5.42 2.97 0.90 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 -0.14 -0.40 0.00 0.00 140 W 7.86 4.85 0.00 3.35 3.12 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 0.00 141 S 8.13 4.45 0.00 3.99 4.14 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 * Residues marked with a * may have inaccurate shift predictions.