NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4614 8.3044 120.3287 55.5621 33.3823 174.8747 2 E 4.5647 8.4932 129.9032 54.8258 30.8292 173.5679 3 H 4.5509 9.4360 112.7199 56.6344 30.3027 174.6164 4 D 4.4528 8.0876 121.4008 54.0258 40.9245 175.9754 5 E 4.1689 8.6469 124.6403 56.6200 30.1381 176.5021 6 R 4.6673 8.1130 117.5315 55.0813 32.3699 174.5018 7 T 4.4482 8.1246 109.4882 60.4732 70.7463 173.5177 8 H 4.4954 8.4856 121.8334 55.4272 30.6013 175.0364 9 V 4.1410 7.7443 126.0887 59.9520 31.5088 172.8653 10 P 4.1241 0.0000 0.0000 62.4960 31.6783 176.4288 11 V 4.2739 8.1075 122.3936 61.0138 32.4099 174.8390 12 E 4.2626 8.9061 128.0827 58.5094 30.1891 177.5587 13 L 4.9834 8.2209 118.3587 52.8876 45.6757 176.2578 14 R 5.2014 8.5487 119.5836 54.4886 34.6712 173.9652 15 A 5.3081 9.1993 123.4672 50.2202 23.0301 174.8638 16 A 5.2449 9.0859 120.8525 50.6998 23.1947 175.8811 17 G 4.3903 9.2097 107.6595 45.6124 0.0000 171.6820 18 V 5.0813 8.3019 111.6572 59.8206 36.1101 176.6721 19 V 4.0415 9.0004 124.4403 61.5421 31.9580 173.4288 20 L 4.9178 8.0587 129.2401 53.1237 43.1615 174.7660 21 L 5.9912 8.8833 126.2086 52.5181 44.5774 176.4497 22 N 4.8329 8.3233 119.4004 51.3654 39.7396 175.2429 23 E 4.1871 8.6396 116.4530 59.4169 29.4819 178.2048 24 R 4.2445 8.0910 115.2874 56.1372 30.6858 177.1021 25 G 2.8707 7.5083 106.5366 44.5063 0.0000 173.5275 26 D 4.7214 8.2219 119.8581 54.1038 42.3032 175.0510 27 I 4.5717 8.4135 121.8411 59.1118 40.5349 174.1335 28 L 4.2044 8.1368 131.3529 54.2386 42.4026 175.7501 29 L 5.1233 8.9652 126.3330 52.9142 45.8667 175.5178 30 V 4.8088 9.2238 121.4545 61.2184 34.4340 173.9513 31 Q 4.2427 8.4991 128.9392 53.8818 30.9623 174.8605 32 E 4.4740 8.5913 125.5811 55.8908 31.1538 176.3156 33 K 4.0976 8.5750 123.9731 55.8839 31.8747 177.2383 34 G 3.8732 8.5373 117.0784 44.6801 0.0000 169.3718 35 I 4.3426 7.6353 116.1583 62.2000 40.4087 174.6864 *39 P 4.4460 0.0000 0.0000 62.1269 33.0509 177.5730 40 E 4.5050 8.1036 112.0358 55.6395 29.8896 175.0395 41 K 4.3839 7.6838 119.9273 55.1423 33.6090 175.8478 42 A 4.2807 8.3618 126.9989 51.4082 19.2555 177.5659 43 G 3.9506 8.3197 106.9617 45.7769 0.0000 173.3261 44 L 4.6946 8.5465 120.7155 53.9455 43.8932 175.6327 45 W 5.3505 9.2274 120.6934 55.6864 31.8167 175.1583 46 H 5.4230 9.1736 118.3336 54.0509 32.1270 172.5787 47 I 4.3911 8.4236 112.3397 59.8765 38.9643 173.9535 48 P 4.6572 0.0000 0.0000 62.5970 32.0141 175.4245 49 S 4.9317 8.8035 116.9044 58.0421 65.4447 173.7269 50 G 4.5780 8.7981 110.6527 45.7803 0.0000 172.0101 51 A 4.5893 8.5231 121.9199 52.0383 19.0490 177.3348 52 V 4.1645 8.7439 122.6644 61.5605 32.6208 176.0450 53 E 4.0637 9.6073 128.4269 55.9043 30.0090 176.0055 54 D 4.5086 8.5339 122.2408 56.1225 41.5076 175.9806 55 G 4.0840 9.0693 115.4101 45.2738 0.0000 173.3728 56 E 4.2015 7.6909 116.7682 55.2077 30.8046 176.6037 57 N 4.3514 8.5109 119.0784 53.2931 40.0920 174.1559 58 P 4.2492 0.0000 0.0000 65.6338 31.3453 178.4808 59 Q 2.5200 8.0621 118.4724 58.7009 28.7908 178.0326 60 D 4.1729 7.9718 119.2000 57.0877 40.8912 178.3839 61 A 3.8996 7.9163 121.1645 55.0005 18.3508 179.4742 62 A 4.0946 7.8370 119.2443 55.3267 18.3493 180.0782 63 V 3.4366 7.3367 116.6031 65.9468 31.5108 178.1926 64 R 3.8030 8.1443 118.6848 59.5816 30.1096 178.2506 65 E 3.9109 8.6258 118.4670 59.3690 29.4685 179.2012 66 A 3.9839 7.9748 120.7429 55.3349 18.3612 179.3206 67 C 4.4928 7.7814 118.1743 62.2119 31.4535 175.5197 68 E 3.9240 8.2247 119.3600 59.3963 29.1905 178.6967 69 E 4.2228 8.4663 118.3364 57.8244 29.8891 177.9099 70 T 4.4292 8.1015 107.7925 60.5153 69.9868 175.9396 71 G 3.9655 8.2811 109.7843 45.3953 0.0000 172.9767 72 L 4.6107 7.5649 120.4191 52.9182 43.3791 175.7552 73 R 4.5384 8.3322 122.5729 56.0017 31.1418 176.1422 74 V 4.9743 8.3564 115.8319 59.5875 36.0983 174.9056 75 R 4.7250 8.9783 121.8918 53.5624 32.5944 173.8044 76 P 4.6277 0.0000 0.0000 63.2712 31.5139 175.9418 77 V 4.2016 9.1477 124.3208 64.3863 32.8622 175.8539 78 K 4.7531 7.7604 118.8811 55.0465 35.5346 174.1828 79 F 3.8363 9.1336 129.3619 58.4903 39.4438 174.3416 80 L 4.2396 7.7001 125.9608 54.5586 43.2340 176.8689 81 G 3.9267 5.3800 104.8783 46.0926 0.0000 171.1531 82 A 5.3496 8.3851 120.6301 50.4317 22.2578 175.0255 83 Y 4.9890 8.6388 117.8657 55.3017 42.2254 173.5593 84 L 5.0477 8.7692 121.9371 53.3944 44.3208 175.4984 85 G 4.2530 8.8855 111.8187 44.3768 0.0000 171.2126 86 R 4.9871 8.0718 119.7161 54.2039 32.7355 175.2287 87 F 4.4691 9.0466 125.4741 56.3434 39.7998 174.5599 88 P 4.3077 0.0000 0.0000 65.9502 31.0959 177.3506 89 D 4.5426 8.1309 114.4695 53.7500 39.5919 177.0069 90 G 3.9867 8.4354 109.7071 45.0106 0.0000 174.2115 91 V 3.8266 8.2325 121.2646 63.0947 32.7163 174.9065 92 L 5.0192 9.2597 128.1353 53.7610 43.8642 175.4457 93 I 5.0297 8.6498 122.5376 59.2072 41.4619 173.4536 94 L 4.8535 8.8370 131.8181 53.6149 43.8944 174.9628 95 R 4.8370 8.3532 126.3318 55.1326 32.0140 175.1855 96 H 5.2561 9.3764 121.1238 53.9664 31.9706 173.5895 97 V 4.7137 7.9273 121.4882 60.8431 34.6977 174.2171 98 W 4.9922 8.9011 126.7691 54.5272 33.0581 174.3935 99 L 4.7800 9.2749 125.5036 54.9798 42.7320 175.6010 100 A 5.3196 8.9736 126.5595 50.4506 23.5752 174.2857 101 E 4.9190 8.9243 117.7157 53.8741 33.6343 174.0243 102 P 4.9405 0.0000 0.0000 62.4464 32.5596 175.9411 103 E 4.3728 8.8278 121.9396 55.4566 30.1434 175.2768 104 P 4.3622 0.0000 0.0000 63.4881 32.0878 175.5108 105 G 3.9207 8.5611 104.4327 47.2603 0.0000 173.5064 106 Q 4.7619 8.0678 115.8034 53.8444 32.2123 175.3215 107 T 4.5900 8.0967 115.9136 61.2374 70.9587 174.1425 108 L 4.0790 8.6656 128.2985 55.4810 42.5682 177.0742 109 A 4.7093 8.5047 127.8653 49.2583 19.1069 173.4153 110 P 4.3293 0.0000 0.0000 62.4171 32.7483 175.8565 111 A 4.0843 8.0487 124.9311 50.6472 19.4735 177.3425 112 F 4.7753 8.1948 122.4082 57.3610 39.0408 175.2905 113 T 4.7705 8.3575 115.6799 59.8877 71.7058 174.0998 114 D 4.5410 8.7197 119.5558 56.2012 40.5866 176.9431 115 E 4.5153 8.3493 118.1622 55.9948 31.6330 175.5819 116 I 4.8433 7.3658 119.3471 59.3364 39.7258 176.1501 117 A 4.0681 9.0177 129.7594 54.0086 19.0098 176.3686 118 E 5.2761 7.3948 111.1177 56.8521 32.4975 175.2323 119 A 5.3765 8.4947 119.7605 51.2120 22.3671 175.5123 120 S 4.5839 9.1386 113.4025 57.6782 66.9268 174.4189 121 F 4.8252 8.8651 119.7259 57.0068 39.8534 175.4897 122 V 4.5559 8.8285 123.2432 60.7803 34.6097 175.5187 123 S 5.1656 8.5570 120.9401 57.3609 64.2763 175.2776 124 R 4.0759 8.7327 120.1451 59.6207 29.5977 179.1305 125 E 4.0120 8.1620 117.6610 59.7525 29.5091 179.1191 126 D 4.4132 8.1906 118.5969 56.8829 40.7382 178.6442 127 F 3.9782 8.6227 121.8126 61.0989 39.4381 176.9101 128 A 4.1156 8.3758 120.4881 55.3309 18.0966 179.7196 129 Q 3.9295 7.8223 116.5057 59.1005 28.7460 178.7751 130 L 3.8760 7.9832 120.2261 57.8887 41.6217 179.0575 131 Y 3.7654 7.9878 119.3821 60.6522 38.5562 177.9132 132 A 3.9516 7.8995 120.0654 54.9078 18.5692 178.6692 133 A 4.2017 7.9165 116.6663 51.9382 18.7378 177.4738 134 G 3.6586 7.6937 105.2313 46.9760 0.0000 174.5353 135 Q 4.5572 8.3071 116.8531 55.3662 30.3590 175.3598 136 I 4.7379 7.4975 120.9538 59.8462 37.7533 175.1632 137 R 4.1358 8.8594 128.9801 59.2900 30.3721 176.4802 138 M 4.6528 8.0185 118.9414 53.2092 33.9746 176.4165 139 Y 4.5041 8.5096 123.1671 60.2259 37.9332 178.3574 140 Q 3.8084 7.4015 119.4606 58.9185 28.5367 178.6452 141 T 4.0687 8.1502 117.2868 66.6683 68.5085 176.3726 142 K 4.1416 8.4202 121.4895 59.3954 32.1843 178.8652 143 L 3.8286 7.7087 118.7935 57.9607 41.5321 179.4556 144 F 4.7223 8.2123 119.1677 59.8844 38.7003 177.3012 145 Y 4.2153 8.3662 119.4637 60.5635 38.5473 177.7700 146 A 3.7765 8.1167 121.7811 55.1421 18.3300 179.3008 147 D 4.2827 8.0718 117.1468 57.4947 40.9652 178.8650 148 A 4.1042 8.4390 121.5374 55.2330 18.4231 179.6015 149 L 4.1587 8.2683 117.7110 58.1397 41.5596 180.0476 150 R 3.9441 8.0753 117.8754 59.3060 29.7853 178.9117 151 E 3.9933 8.2207 117.3870 59.3215 29.6176 179.0661 152 K 4.2187 8.1398 116.0150 56.7127 32.3953 178.0638 153 G 3.7782 7.5318 107.1790 45.5041 0.0000 173.7517 154 F 4.5882 7.7611 117.6589 55.7129 39.7589 173.9497 155 P 4.3614 0.0000 0.0000 62.5243 31.6917 176.4996 156 A 4.2496 8.1270 123.4771 51.0688 19.3682 177.5674 157 L 3.9759 8.0061 119.3291 54.0355 42.2670 176.1578 158 P 4.3969 0.0000 0.0000 63.2223 31.2249 176.1273 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 1 M 8.30 4.46 0.00 2.04 1.66 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.54 0.00 2 E 8.49 4.56 0.00 1.96 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 2.18 2.24 0.00 3 H 9.44 4.55 0.00 3.26 3.38 0.00 5.60 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 D 8.09 4.45 0.00 2.73 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 5 E 8.65 4.17 0.00 1.96 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 0.00 2.32 2.30 0.00 6 R 8.11 4.67 0.00 1.87 1.86 0.00 3.20 0.00 0.00 3.30 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 7 T 8.12 4.45 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 8 H 8.49 4.50 0.00 3.08 3.26 0.00 5.87 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 V 7.74 4.14 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 0.92 0.00 0.00 10 P 0.00 4.12 0.00 2.09 2.02 0.00 3.66 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 2.06 2.16 0.00 11 V 8.11 4.27 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 0.87 0.00 0.00 0.96 0.00 0.00 12 E 8.91 4.26 0.00 1.92 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 2.34 2.43 0.00 13 L 8.22 4.98 0.00 1.70 1.59 0.99 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 14 R 8.55 5.20 0.00 1.74 1.81 0.00 3.10 0.00 0.00 3.40 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.66 0.00 15 A 9.20 5.31 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 16 A 9.09 5.24 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 17 G 9.21 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 0.00 0.00 0.00 0.00 18 V 8.30 5.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.95 0.00 0.00 19 V 9.00 4.04 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 0.93 0.00 0.00 0.96 0.00 0.00 20 L 8.06 4.92 0.00 1.74 1.50 1.18 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.88 5.99 0.00 1.67 1.55 1.11 1.20 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 22 N 8.32 4.83 0.00 2.65 2.43 0.00 0.00 6.16 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 23 E 8.64 4.19 0.00 1.98 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 2.33 2.30 0.00 24 R 8.09 4.24 0.00 1.95 1.90 0.00 3.17 0.00 0.00 3.20 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 25 G 7.51 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 0.00 0.00 0.00 26 D 8.22 4.72 0.00 2.74 2.83 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 27 I 8.41 4.57 0.56 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 1.27 0.38 0.00 0.00 28 L 8.14 4.20 0.00 0.73 1.26 0.34 0.70 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 29 L 8.97 5.12 0.00 1.64 1.86 1.01 0.64 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 30 V 9.22 4.81 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 0.95 0.00 0.00 0.93 0.00 0.00 31 Q 8.50 4.24 0.00 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.70 0.00 0.00 0.00 0.00 0.00 1.67 1.30 0.00 32 E 8.59 4.47 0.00 1.85 1.80 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 2.37 2.27 0.00 33 K 8.58 4.10 0.00 1.73 1.85 0.00 1.93 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.39 7.81 34 G 8.54 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 35 I 7.64 4.34 1.86 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 0.97 0.91 0.00 0.00 *39 P 0.00 4.45 0.00 2.08 2.14 0.00 3.91 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 1.92 1.96 0.00 40 E 8.10 4.50 0.00 2.03 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 2.19 2.32 0.00 41 K 7.68 4.38 0.00 1.71 1.73 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.13 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.49 7.81 42 A 8.36 4.28 1.27 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 0.00 0.00 43 G 8.32 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 44 L 8.55 4.69 0.00 1.76 1.78 0.96 0.88 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 45 W 9.23 5.35 0.00 3.27 3.16 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 46 H 9.17 5.42 0.00 3.26 3.47 0.00 5.45 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 I 8.42 4.39 2.13 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.67 0.97 0.00 0.00 48 P 0.00 4.66 0.00 2.09 2.01 0.00 4.11 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.89 0.00 49 S 8.80 4.93 0.00 3.86 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 50 G 8.80 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.52 4.59 1.23 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 0.00 0.00 52 V 8.74 4.16 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 0.77 0.00 0.00 0.94 0.00 0.00 53 E 9.61 4.06 0.00 2.10 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 2.23 0.00 54 D 8.53 4.51 0.00 2.62 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 9.07 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 56 E 7.69 4.20 0.00 2.07 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 2.41 2.20 0.00 57 N 8.51 4.35 0.00 2.74 2.83 0.00 0.00 7.03 7.71 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 58 P 0.00 4.25 0.00 2.41 2.00 0.00 3.68 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 59 Q 8.06 2.52 0.00 1.70 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 1.72 1.16 0.00 60 D 7.97 4.17 0.00 2.78 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 61 A 7.92 3.90 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 7.84 4.09 1.36 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 63 V 7.34 3.44 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 0.96 0.00 0.00 0.83 0.00 0.00 64 R 8.14 3.80 0.00 1.92 2.03 0.00 3.21 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.64 0.00 65 E 8.63 3.91 0.00 2.03 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 2.43 2.54 0.00 66 A 7.97 3.98 1.36 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 67 C 7.78 4.49 0.00 2.95 3.05 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 68 E 8.22 3.92 0.00 2.09 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 2.32 2.46 0.00 69 E 8.47 4.22 0.00 1.98 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 2.27 2.51 0.00 70 T 8.10 4.43 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 1.14 0.00 0.00 71 G 8.28 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 7.56 4.61 0.00 1.76 1.63 1.07 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 73 R 8.33 4.54 0.00 1.92 1.90 0.00 3.21 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 74 V 8.36 4.97 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 0.75 0.00 0.00 0.92 0.00 0.00 75 R 8.98 4.73 0.00 1.69 1.81 0.00 3.13 0.00 0.00 3.37 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 76 P 0.00 4.63 0.00 1.91 1.79 0.00 3.70 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.77 0.00 77 V 9.15 4.20 2.28 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 0.81 0.00 0.00 1.09 0.00 0.00 78 K 7.76 4.75 0.00 1.94 1.67 0.00 1.83 0.00 0.00 1.80 0.00 0.00 2.83 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.50 1.53 7.81 79 F 9.13 3.84 0.00 2.94 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 80 L 7.70 4.24 0.00 1.13 1.64 0.93 0.82 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 81 G 5.38 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 82 A 8.39 5.35 1.17 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 0.00 0.00 0.00 83 Y 8.64 4.99 0.00 3.08 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 84 L 8.77 5.05 0.00 1.64 1.59 0.95 0.94 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 85 G 8.89 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 0.00 0.00 0.00 0.00 86 R 8.07 4.99 0.00 1.73 1.73 0.00 3.25 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.75 0.00 87 F 9.05 4.47 0.00 3.29 2.95 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 88 P 0.00 4.31 0.00 2.10 2.19 0.00 3.88 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 89 D 8.13 4.54 0.00 2.79 2.80 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 90 G 8.44 3.99 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 0.00 0.00 0.00 91 V 8.23 3.83 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 1.23 0.00 0.00 1.10 0.00 0.00 92 L 9.26 5.02 0.00 1.78 1.55 0.95 0.80 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 93 I 8.65 5.03 2.06 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.69 0.64 0.00 0.00 94 L 8.84 4.85 0.00 1.77 1.53 0.89 0.68 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 95 R 8.35 4.84 0.00 0.67 1.43 0.00 3.00 0.00 0.00 2.64 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.28 0.00 96 H 9.38 5.26 0.00 3.30 3.07 0.00 5.57 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 V 7.93 4.71 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 0.64 0.00 0.00 0.50 0.00 0.00 98 W 8.90 4.99 0.00 3.39 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 99 L 9.27 4.78 0.00 1.79 1.77 1.06 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 100 A 8.97 5.32 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 0.00 101 E 8.92 4.92 0.00 1.95 1.85 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 2.30 2.30 0.00 102 P 0.00 4.94 0.00 2.15 2.18 0.00 3.84 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 103 E 8.83 4.37 0.00 2.04 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 2.35 2.43 0.00 104 P 0.00 4.36 0.00 2.18 2.07 0.00 3.91 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 1.99 1.97 0.00 105 G 8.56 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 Q 8.07 4.76 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.41 6.62 0.00 0.00 0.00 0.00 0.00 2.25 2.52 0.00 107 T 8.10 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 1.25 0.00 0.00 108 L 8.67 4.08 0.00 1.76 1.70 0.89 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 109 A 8.50 4.71 1.17 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 0.00 0.00 0.00 110 P 0.00 4.33 0.00 1.43 1.84 0.00 3.62 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.07 0.00 111 A 8.05 4.08 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 0.00 112 F 8.19 4.78 0.00 3.09 2.95 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 0.00 113 T 8.36 4.77 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 1.26 0.00 0.00 114 D 8.72 4.54 0.00 2.67 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 0.00 115 E 8.35 4.52 0.00 1.98 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 2.22 2.38 0.00 116 I 7.37 4.84 2.04 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 1.23 1.20 0.95 0.00 0.00 117 A 9.02 4.07 1.22 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 0.00 0.00 118 E 7.39 5.28 0.00 2.29 2.31 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 2.18 2.30 0.00 119 A 8.49 5.38 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 0.00 120 S 9.14 4.58 0.00 3.88 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 0.00 121 F 8.87 4.83 0.00 2.97 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 0.00 122 V 8.83 4.56 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 1.05 0.00 0.00 0.57 0.00 0.00 123 S 8.56 5.17 0.00 4.06 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 0.00 124 R 8.73 4.08 0.00 1.86 1.97 0.00 2.96 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.68 0.00 125 E 8.16 4.01 0.00 2.07 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 2.41 2.48 0.00 126 D 8.19 4.41 0.00 2.72 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 0.00 127 F 8.62 3.98 0.00 3.37 3.45 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 0.00 128 A 8.38 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 129 Q 7.82 3.93 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.73 0.00 0.00 0.00 0.00 0.00 2.52 2.54 0.00 130 L 7.98 3.88 0.00 1.50 1.51 0.47 0.90 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 0.00 131 Y 7.99 3.77 0.00 2.71 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 0.00 132 A 7.90 3.95 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 A 7.92 4.20 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 0.00 134 G 7.69 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 0.00 0.00 0.00 135 Q 8.31 4.56 0.00 2.11 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.59 6.72 0.00 0.00 0.00 0.00 0.00 2.30 2.52 0.00 136 I 7.50 4.74 2.04 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.59 1.25 0.00 0.00 137 R 8.86 4.14 0.00 1.91 2.10 0.00 3.31 0.00 0.00 3.28 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.76 0.00 138 M 8.02 4.65 0.00 2.21 2.03 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.52 0.00 139 Y 8.51 4.50 0.00 3.47 3.40 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 0.00 140 Q 7.40 3.81 0.00 1.79 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.92 0.00 0.00 0.00 0.00 0.00 1.16 1.79 0.00 141 T 8.15 4.07 4.63 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 1.50 0.00 0.00 142 K 8.42 4.14 0.00 1.78 1.78 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.72 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.24 1.47 7.81 143 L 7.71 3.83 0.00 1.43 1.26 0.82 1.02 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 0.00 144 F 8.21 4.72 0.00 3.08 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 0.00 145 Y 8.37 4.22 0.00 2.79 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 0.00 146 A 8.12 3.78 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 0.00 147 D 8.07 4.28 0.00 2.99 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 0.00 148 A 8.44 4.10 1.53 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 0.00 149 L 8.27 4.16 0.00 1.76 1.73 0.21 1.08 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 0.00 150 R 8.08 3.94 0.00 2.04 1.97 0.00 3.11 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.84 0.00 151 E 8.22 3.99 0.00 2.16 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 2.52 2.54 0.00 152 K 8.14 4.22 0.00 1.93 1.68 0.00 1.78 0.00 0.00 1.80 0.00 0.00 3.34 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.78 1.88 7.81 153 G 7.53 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 0.00 154 F 7.76 4.59 0.00 3.08 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 0.00 155 P 0.00 4.36 0.00 2.06 2.00 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 2.09 2.14 0.00 156 A 8.13 4.25 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 0.00 157 L 8.01 3.98 0.00 1.53 1.57 0.78 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 158 P 0.00 4.40 0.00 2.05 2.02 0.00 3.72 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 2.07 2.13 0.00 * Residues marked with a * may have inaccurate shift predictions.