NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.5957 8.4201 119.2048 53.5688 40.2920 174.3109 0 A 4.2145 8.2322 116.8805 49.7580 18.3191 174.7331 2 E 5.3494 8.4317 123.4969 56.4661 32.7058 175.0755 3 I 3.8528 8.2134 125.9495 61.6748 38.0427 174.8959 4 L 4.5316 8.6263 128.9654 53.7644 43.8241 174.4282 5 Y 5.1891 8.6140 123.8520 56.2401 40.1282 174.9472 6 I 4.7677 8.4172 116.5590 58.7759 41.8860 174.5781 7 K 4.4712 8.5412 122.2012 56.2973 32.6389 178.5785 8 G 3.8245 7.0644 110.1892 44.8913 0.0000 170.9991 9 D 4.8082 8.3772 119.9147 52.0983 43.2606 177.5132 10 A 2.7328 8.7064 129.9330 54.3045 18.5090 177.8656 11 T 4.3331 8.3250 104.6133 62.7306 69.6623 174.8432 12 A 4.7740 7.6980 125.2532 50.0326 18.6126 174.1687 13 P 4.4382 0.0000 0.0000 61.6276 32.6893 177.5223 14 I 4.1051 8.7464 115.3002 61.2933 38.9167 176.7061 15 G 3.8292 8.6601 108.0291 44.6188 0.0000 171.6370 16 S 4.6694 8.2073 113.1636 57.0179 66.2098 173.5114 17 G 3.8238 8.5329 108.3727 44.4104 0.0000 172.6618 18 V 4.1998 8.0733 117.9765 62.8016 32.8161 175.9077 19 K 5.2795 9.1451 126.0168 54.6358 36.4501 175.2504 20 V 4.9518 9.1032 123.6742 61.3139 34.5349 174.2435 21 I 4.9247 9.1452 130.3282 60.7029 38.3785 174.8135 22 T 5.2086 8.6368 118.4056 60.2855 70.4824 173.5274 23 H 4.8664 8.6744 118.8967 54.4409 32.2418 172.5227 24 I 4.2255 8.1464 120.1574 60.3829 38.1799 175.2832 25 C 4.6541 8.4346 124.5376 58.0239 31.0704 172.9708 26 N 5.3314 8.7511 118.6959 51.2967 38.7526 174.0635 27 D 4.8792 8.4829 116.2420 53.0063 40.6339 177.3946 28 I 4.4828 8.4206 110.0997 60.8320 38.0345 176.2440 29 G 3.2678 8.7803 108.2842 45.3795 0.0000 173.8244 30 G 3.7998 8.1306 108.4575 44.8651 0.0000 174.5088 31 W 4.9075 8.4803 133.5875 55.9971 31.2122 174.5206 32 G 4.2302 7.9578 107.7787 45.6301 0.0000 171.0151 33 K 4.5278 7.4255 118.8744 55.5552 37.0015 176.9315 34 G 3.9354 8.4827 109.9095 46.1256 0.0000 176.0026 35 F 4.1089 8.8170 122.2347 61.3454 39.1579 177.2246 36 V 3.0049 7.4851 111.4613 64.0347 31.0097 178.3345 37 L 3.9749 7.7981 118.6644 57.4894 41.5632 179.2637 38 A 3.7953 7.5595 120.3264 54.8428 18.2400 179.4160 39 L 3.9179 7.2626 117.3766 58.2712 41.5847 180.1273 40 S 4.7489 8.0593 114.4750 60.5323 62.7901 176.1424 41 K 3.9181 7.7071 122.1785 59.0545 31.8917 177.8759 42 K 3.8074 7.1275 117.1835 56.4622 32.9486 176.8458 43 W 5.2926 7.8796 118.4353 55.1145 33.5619 175.5623 44 K 4.6457 8.5942 123.4379 56.1820 31.8330 177.1240 *46 P 4.3681 0.0000 0.0000 62.6937 33.8175 179.1983 47 E 2.0000 7.8486 117.7124 58.5848 29.3897 178.3045 48 E 3.7964 7.9549 119.1009 59.1078 29.6065 178.5533 49 A 4.0057 7.8817 120.3782 55.3125 17.9840 178.8268 50 Y 4.5440 8.1042 117.9955 61.1826 39.0788 178.4699 51 R 3.8936 8.3916 119.3763 59.2949 30.1206 179.1278 52 Q 4.0219 8.3566 118.0735 58.4726 28.8023 178.3977 53 W 4.4068 8.5309 129.7218 60.7079 30.5522 177.2167 54 Y 2.3900 7.5324 118.2762 60.2172 38.1440 178.2038 55 K 3.7667 7.5240 117.7385 59.1080 32.1535 179.2728 56 S 4.1718 8.0266 114.0529 59.3423 62.9854 174.4469 57 Q 3.2031 7.2961 118.4115 56.4930 26.6866 173.6446 58 E 4.4183 8.2465 118.1280 55.5832 29.1106 176.1506 59 E 3.9137 8.6768 126.2879 57.4255 27.4040 176.6835 60 F 3.9607 8.0874 120.3313 56.5475 38.3009 173.9956 61 T 4.6395 7.0528 113.1536 58.5856 72.2923 174.3006 62 L 4.1985 8.3550 122.5166 56.9435 41.9031 177.8746 63 G 4.2457 9.4360 111.9397 46.2916 0.0000 173.6006 64 A 4.5285 7.5259 121.9126 51.4988 19.6720 176.8797 65 V 4.6288 8.0498 118.2485 61.0158 34.8186 174.2789 66 Q 4.1507 8.3865 127.3134 54.0758 31.2958 173.8216 67 F 5.1565 8.6194 125.0936 55.6624 40.9767 175.3907 68 V 4.5804 8.8017 123.3008 59.7245 34.3467 174.5281 69 N 4.5158 8.8354 122.0677 53.2167 39.6427 174.7557 70 V 3.9122 7.9082 118.0613 62.1696 34.0557 175.2284 71 E 4.4869 7.1294 116.6198 54.4160 33.4936 173.2512 72 N 4.1498 8.5594 118.1556 55.4656 38.9493 174.1403 73 K 3.9883 9.1836 124.1249 56.8437 29.4877 174.8903 74 L 5.0841 7.5282 120.7533 54.0601 45.4564 174.3037 75 Y 5.1053 9.3329 123.6669 56.1012 42.2339 174.5449 76 V 4.8910 8.9619 121.3909 61.1516 34.7086 174.1843 77 A 4.6775 9.2457 130.1648 50.4590 20.5629 176.2952 78 N 4.8086 8.8879 120.4802 53.0988 41.2044 175.2974 *80 I 4.2388 8.1816 119.5101 61.6540 37.2348 175.9445 81 G 4.2994 8.8503 110.5998 45.2532 0.0000 170.1219 82 Q 5.0138 7.7813 117.6985 54.4767 32.2609 173.3656 83 H 5.0665 8.7485 122.3440 55.0619 31.1960 176.2214 84 G 4.0679 9.1987 117.6829 45.0696 0.0000 171.7237 85 I 3.9944 8.1414 116.9536 61.6556 38.7306 175.4695 86 Y 4.8749 7.3202 115.5606 55.1009 40.7353 175.3502 87 K 4.2278 8.5711 120.6334 57.1392 33.1459 176.7404 88 D 4.7617 8.6373 120.5057 52.5446 40.9263 177.1952 89 S 4.0937 8.6566 114.4435 61.1019 62.7588 175.4936 90 K 4.3055 8.3102 117.0893 56.3682 32.5714 177.0952 91 G 3.8701 8.3488 107.2697 45.5979 0.0000 173.5480 92 L 4.1036 8.5000 123.4225 53.7599 42.3681 175.0521 93 P 4.6949 0.0000 0.0000 61.8933 32.1954 174.5667 94 P 4.5878 0.0000 0.0000 64.9952 32.3376 176.7521 95 I 3.7495 7.5926 119.2304 61.6358 38.6709 176.0504 96 R 4.3419 8.4769 127.1789 54.1605 32.1949 175.8676 97 Y 4.1053 8.5398 123.5957 60.9045 37.9363 178.2175 98 D 4.3621 8.2295 119.5219 56.3600 39.4559 178.3685 99 A 3.9453 7.9252 121.7284 54.8870 18.4060 179.5315 100 V 3.4998 7.9227 116.8470 66.0820 31.5126 178.1328 101 R 3.8669 8.2371 118.5593 59.5150 29.7965 178.2108 102 Q 3.9657 8.2694 119.3392 59.3932 28.9889 177.9805 103 C 4.2335 8.4063 118.0237 63.0648 28.1624 176.2695 104 L 4.0711 8.3028 120.5526 57.4507 41.0394 179.6545 105 K 4.0012 8.3105 118.9865 59.4691 31.9966 178.9246 106 E 4.0660 8.1337 119.6488 59.2123 29.5429 178.9181 107 V 3.9637 8.2791 118.3359 65.9261 31.5358 177.7843 108 A 4.0463 8.5170 120.9578 55.2651 18.2806 179.6172 109 L 3.9229 7.7966 117.1048 57.8480 41.7067 179.5741 110 F 3.8086 8.2967 120.7912 61.4529 39.2664 177.3547 111 T 3.9966 8.5209 109.8927 64.6596 68.7098 176.6874 112 I 3.6166 7.9713 122.5130 64.2387 36.9533 178.2251 113 A 3.8750 7.7170 120.1002 54.7604 18.2046 178.3953 114 H 4.3758 7.6221 111.5037 54.2379 29.4908 175.1297 115 K 3.7021 7.5394 118.6398 57.5253 30.0270 174.5944 116 A 5.1042 8.2562 119.0684 50.6386 21.7269 177.2984 117 S 4.8787 8.8638 113.4383 56.7342 66.5514 173.1067 118 V 5.0525 8.6374 120.5512 61.6895 33.9563 174.1747 119 H 5.8389 9.4012 123.1282 52.5325 33.3935 171.3051 *121 P 4.5670 0.0000 0.0000 62.6482 32.4881 177.6926 122 R 3.8706 7.8649 115.9092 54.9465 27.7949 175.0150 123 I 3.8783 7.9387 114.1400 62.1860 38.3387 177.4886 124 G 4.0322 8.9993 112.3454 45.6092 0.0000 173.1059 125 C 4.6504 7.6078 117.2784 60.8943 29.9359 172.7830 126 G 4.1205 8.4366 107.6528 44.1529 0.0000 177.1620 127 L 4.0128 8.5175 122.8816 57.2337 41.8479 178.1269 128 A 3.9172 7.9168 121.2958 53.4285 18.4917 178.8641 129 G 3.9411 8.1844 103.3115 45.6664 0.0000 173.9896 130 G 3.7233 8.2128 108.5654 45.0385 0.0000 173.9937 131 K 4.5726 9.4001 122.7791 53.9559 33.1009 177.1026 132 W 4.3922 9.2494 135.0000 60.4074 29.5587 176.8269 133 E 3.9694 8.3878 115.8223 58.9896 29.3304 177.4159 134 L 4.0197 7.9114 120.5858 55.0970 42.1683 177.5002 *136 E 3.6143 8.1861 119.7578 55.4578 31.4096 177.5568 137 Q 3.8591 7.1513 116.8392 59.1227 28.9299 178.2456 138 I 3.6643 7.4435 120.3602 64.4253 37.1591 178.4717 139 I 3.6619 7.5234 120.0641 64.1760 37.0422 178.3409 140 K 3.9072 8.2179 119.5742 59.6332 31.7149 179.2504 141 E 3.9379 7.9435 117.1121 59.4895 29.5198 178.9203 142 E 4.2593 8.2856 116.8909 57.6417 29.9693 176.5625 143 L 4.6289 7.8740 116.0909 56.3789 44.4145 178.7382 144 I 3.8606 7.8336 118.8014 64.7060 37.1438 178.4256 145 T 4.0385 7.7579 108.3730 63.4803 67.3322 174.9897 146 K 4.3812 8.1613 121.6694 55.8260 32.1648 176.3906 147 E 3.8784 7.9570 116.6537 57.4461 27.2303 174.2672 148 I 4.1668 7.0620 118.6826 59.7673 37.9690 175.9337 149 A 4.2155 8.4813 127.8531 52.0345 19.7640 176.0808 150 V 4.7696 8.2828 120.3429 61.3748 35.0866 174.0714 151 T 4.7993 8.8571 124.4507 61.6721 71.4952 173.0272 152 V 4.3683 8.6180 126.6717 61.3280 33.9135 173.7748 153 Y 4.9658 8.7120 125.3374 56.5144 39.6456 174.7188 154 D 4.6885 9.1181 125.7296 52.7615 42.7279 176.9358 155 L 4.1651 8.2988 124.0777 56.0470 42.3710 173.2639 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 N 8.42 4.60 0.00 2.68 2.87 0.00 0.00 6.99 7.08 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 A 8.23 4.21 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 2 E 8.43 5.35 0.00 2.00 1.87 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 2.10 2.11 0.00 3 I 8.21 3.85 1.81 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 1.17 0.63 0.27 0.00 0.00 4 L 8.63 4.53 0.00 1.68 1.52 0.90 1.01 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 5 Y 8.61 5.19 0.00 2.84 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 6 I 8.42 4.77 1.80 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 0.72 0.70 0.83 0.00 0.00 7 K 8.54 4.47 0.00 1.69 1.81 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.76 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.45 7.81 8 G 7.06 3.82 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 0.00 9 D 8.38 4.81 0.00 2.65 2.49 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 10 A 8.71 2.73 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 11 T 8.33 4.33 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 1.02 0.00 0.00 12 A 7.70 4.77 1.21 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 13 P 0.00 4.44 0.00 1.95 1.95 0.00 3.87 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 14 I 8.75 4.11 1.96 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 1.45 0.76 1.08 0.00 0.00 15 G 8.66 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 16 S 8.21 4.67 0.00 3.97 3.88 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 17 G 8.53 3.82 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 0.00 18 V 8.07 4.20 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 1.04 0.00 0.00 19 K 9.15 5.28 0.00 1.77 1.69 0.00 1.66 0.00 0.00 1.48 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.61 7.81 20 V 9.10 4.95 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 1.22 0.00 0.00 21 I 9.15 4.92 2.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.56 1.22 0.00 0.00 22 T 8.64 5.21 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 1.28 0.00 0.00 23 H 8.67 4.87 0.00 3.04 3.16 0.00 5.74 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 8.15 4.23 1.80 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 1.29 0.55 0.83 0.00 0.00 25 C 8.43 4.65 0.00 2.85 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 26 N 8.75 5.33 0.00 2.77 2.77 0.00 0.00 6.35 8.06 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 27 D 8.48 4.88 0.00 2.82 2.82 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 28 I 8.42 4.48 1.86 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 1.27 0.76 0.94 0.00 0.00 29 G 8.78 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 0.00 0.00 0.00 30 G 8.13 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 31 W 8.48 4.91 0.00 3.40 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 32 G 7.96 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 0.00 0.00 0.00 0.00 33 K 7.43 4.53 0.00 1.60 1.60 0.00 1.73 0.00 0.00 1.59 0.00 0.00 2.62 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.30 1.37 7.81 34 G 8.48 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 0.00 0.00 0.00 35 F 8.82 4.11 0.00 3.03 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 36 V 7.49 3.00 0.67 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 -0.64 0.00 0.00 0.46 0.00 0.00 37 L 7.80 3.97 0.00 1.72 1.65 0.89 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 38 A 7.56 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 7.26 3.92 0.00 1.89 1.96 0.77 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 40 S 8.06 4.75 0.00 4.01 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 41 K 7.71 3.92 0.00 1.84 1.84 0.00 1.67 0.00 0.00 1.54 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.37 7.81 42 K 7.13 3.81 0.00 1.20 0.74 0.00 1.19 0.00 0.00 0.61 0.00 0.00 2.74 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.30 0.75 7.81 43 W 7.88 5.29 0.00 3.48 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 44 K 8.59 4.65 0.00 1.82 1.80 0.00 1.72 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.42 7.81 *46 P 0.00 4.37 0.00 2.54 2.40 0.00 3.94 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 2.26 2.12 0.00 47 E 7.85 2.00 0.00 1.23 1.69 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 1.86 1.47 0.00 48 E 7.95 3.80 0.00 2.07 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 2.35 0.00 49 A 7.88 4.01 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 50 Y 8.10 4.54 0.00 3.37 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 51 R 8.39 3.89 0.00 1.83 1.95 0.00 3.12 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.79 0.00 52 Q 8.36 4.02 0.00 2.27 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.62 0.00 53 W 8.53 4.41 0.00 3.56 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 54 Y 7.53 2.39 0.00 1.91 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 55 K 7.52 3.77 0.00 1.85 1.76 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.10 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.59 7.81 56 S 8.03 4.17 0.00 4.24 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 57 Q 7.30 3.20 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.91 0.00 0.00 0.00 0.00 0.00 2.00 2.19 0.00 58 E 8.25 4.42 0.00 2.14 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 2.33 2.52 0.00 59 E 8.68 3.91 0.00 2.34 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 60 F 8.09 3.96 0.00 2.60 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 61 T 7.05 4.64 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 1.24 0.00 0.00 62 L 8.35 4.20 0.00 1.62 1.64 0.88 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 63 G 9.44 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 64 A 7.53 4.53 1.61 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 0.00 0.00 65 V 8.05 4.63 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 -0.14 0.00 0.00 0.91 0.00 0.00 66 Q 8.39 4.15 0.00 0.93 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.56 0.00 0.00 0.00 0.00 0.00 2.05 1.87 0.00 67 F 8.62 5.16 0.00 2.68 2.42 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 0.00 68 V 8.80 4.58 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 0.90 0.00 0.00 0.92 0.00 0.00 69 N 8.84 4.52 0.00 2.59 2.65 0.00 0.00 6.88 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 70 V 7.91 3.91 0.67 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 0.29 0.00 0.00 -0.32 0.00 0.00 71 E 7.13 4.49 0.00 1.88 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 2.41 2.35 0.00 72 N 8.56 4.15 0.00 2.63 2.76 0.00 0.00 7.03 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 K 9.18 3.99 0.00 2.04 1.96 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.42 7.81 74 L 7.53 5.08 0.00 1.67 1.23 0.98 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 75 Y 9.33 5.11 0.00 2.99 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 76 V 8.96 4.89 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 1.32 0.00 0.00 0.82 0.00 0.00 77 A 9.25 4.68 0.94 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 0.00 0.00 78 N 8.89 4.81 0.00 2.94 3.19 0.00 0.00 6.60 7.07 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 *80 I 8.18 4.24 1.82 0.00 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.43 0.66 0.00 0.00 81 G 8.85 4.30 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 0.00 82 Q 7.78 5.01 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.86 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 83 H 8.75 5.07 0.00 3.20 3.23 0.00 5.93 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 84 G 9.20 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 0.00 0.00 0.00 85 I 8.14 3.99 1.26 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.53 0.24 0.00 0.00 86 Y 7.32 4.87 0.00 2.95 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 87 K 8.57 4.23 0.00 1.88 1.87 0.00 1.59 0.00 0.00 1.79 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.48 7.81 88 D 8.64 4.76 0.00 2.92 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 89 S 8.66 4.09 0.00 3.90 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 90 K 8.31 4.31 0.00 1.87 1.90 0.00 1.61 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.35 1.79 7.81 91 G 8.35 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 92 L 8.50 4.10 0.00 1.74 1.90 0.95 0.97 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 93 P 0.00 4.69 0.00 2.12 1.98 0.00 3.77 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 2.06 2.13 0.00 94 P 0.00 4.59 0.00 2.00 2.35 0.00 3.95 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 2.15 1.99 0.00 95 I 7.59 3.75 1.82 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 -0.07 0.52 0.00 0.00 96 R 8.48 4.34 0.00 1.79 1.95 0.00 3.33 0.00 0.00 3.13 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 97 Y 8.54 4.11 0.00 2.99 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 98 D 8.23 4.36 0.00 2.89 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 A 7.93 3.95 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 0.00 100 V 7.92 3.50 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 1.08 0.00 0.00 0.91 0.00 0.00 101 R 8.24 3.87 0.00 1.93 2.08 0.00 3.16 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 102 Q 8.27 3.97 0.00 2.18 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.56 0.00 0.00 0.00 0.00 0.00 2.55 2.43 0.00 103 C 8.41 4.23 0.00 3.19 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 0.00 104 L 8.30 4.07 0.00 1.83 1.74 0.92 1.25 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 0.00 105 K 8.31 4.00 0.00 2.04 1.90 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.61 1.62 7.81 106 E 8.13 4.07 0.00 2.08 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 0.00 2.67 2.47 0.00 107 V 8.28 3.96 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 1.17 0.00 0.00 1.01 0.00 0.00 108 A 8.52 4.05 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 L 7.80 3.92 0.00 1.86 1.73 0.95 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 110 F 8.30 3.81 0.00 2.51 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 0.00 111 T 8.52 4.00 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 112 I 7.97 3.62 2.01 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.17 0.87 0.00 0.00 113 A 7.72 3.87 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 H 7.62 4.38 0.00 2.79 3.12 0.00 6.01 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 K 7.54 3.70 0.00 1.90 1.86 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.30 7.81 116 A 8.26 5.10 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 0.00 117 S 8.86 4.88 0.00 3.93 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 V 8.64 5.05 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 1.11 0.00 0.00 1.02 0.00 0.00 119 H 9.40 5.84 0.00 3.18 3.30 0.00 5.71 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *121 P 0.00 4.57 0.00 1.95 1.66 0.00 3.53 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.47 0.00 122 R 7.86 3.87 0.00 1.70 1.45 0.00 2.85 0.00 0.00 3.12 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.36 0.00 123 I 7.94 3.88 1.90 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 1.61 0.71 0.93 0.00 0.00 124 G 9.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 C 7.61 4.65 0.00 3.14 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 0.00 126 G 8.44 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 0.00 0.00 0.00 0.00 127 L 8.52 4.01 0.00 1.61 1.72 0.92 0.76 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 0.00 128 A 7.92 3.92 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 0.00 129 G 8.18 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 0.00 0.00 0.00 130 G 8.21 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.40 4.57 0.00 1.94 1.80 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.46 7.81 132 W 9.25 4.39 0.00 3.42 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 0.00 133 E 8.39 3.97 0.00 2.11 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 0.00 2.37 2.25 0.00 134 L 7.91 4.02 0.00 1.44 1.45 0.25 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 *136 E 8.19 3.61 0.00 1.16 1.57 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 2.21 2.39 0.00 137 Q 7.15 3.86 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.58 0.00 0.00 0.00 0.00 0.00 2.27 2.50 0.00 138 I 7.44 3.66 1.81 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 1.48 0.52 0.91 0.00 0.00 139 I 7.52 3.66 1.90 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.77 0.91 0.00 0.00 140 K 8.22 3.91 0.00 1.92 1.84 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.62 7.81 141 E 7.94 3.94 0.00 2.06 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 2.32 2.46 0.00 142 E 8.29 4.26 0.00 1.99 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 2.46 2.49 0.00 143 L 7.87 4.63 0.00 1.80 1.65 0.95 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 144 I 7.83 3.86 2.03 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 1.46 1.17 0.91 0.00 0.00 145 T 7.76 4.04 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 1.25 0.00 0.00 146 K 8.16 4.38 0.00 1.98 1.84 0.00 1.91 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.38 1.38 7.81 147 E 7.96 3.88 0.00 2.14 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 2.24 2.26 0.00 148 I 7.06 4.17 2.02 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 1.25 0.52 0.95 0.00 0.00 149 A 8.48 4.22 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 0.00 150 V 8.28 4.77 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 1.08 0.00 0.00 0.93 0.00 0.00 151 T 8.86 4.80 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 0.57 0.00 0.00 152 V 8.62 4.37 1.69 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 0.86 0.00 0.00 0.95 0.00 0.00 153 Y 8.71 4.97 0.00 2.87 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 0.00 154 D 9.12 4.69 0.00 2.62 2.55 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 0.00 155 L 8.30 4.17 0.00 1.76 1.54 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.