NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 D 4.6535 8.3649 119.5533 52.3617 42.2815 175.5789 22 R 4.0119 7.7484 117.7437 55.6475 30.9285 174.6482 23 P 4.3924 0.0000 0.0000 62.6782 34.2066 177.1234 24 I 3.6591 8.3666 119.6167 64.6209 37.7931 178.1751 25 E 3.9138 8.0787 118.8372 59.3484 29.3636 179.1457 26 Q 4.0274 7.9735 117.7846 58.9857 28.8662 178.4970 27 Q 4.0059 8.1779 119.1697 58.6581 28.6901 178.6655 28 L 3.8585 8.1682 120.2840 57.8054 41.5753 179.4679 29 A 4.1917 7.8670 120.5514 55.2428 18.2860 179.7251 30 L 4.0614 8.2209 117.7178 57.7006 41.7135 179.9589 31 G 3.6745 8.1706 105.9617 47.7990 0.0000 175.2251 32 Y 3.2479 7.7434 121.8548 60.3749 38.7759 178.1537 33 I 3.7776 8.1088 120.8912 64.0501 37.0688 178.3321 34 K 3.8222 8.5000 120.7950 59.4650 31.9702 178.7196 35 A 3.9014 7.7912 120.7847 54.9368 18.2095 179.3397 36 L 3.9258 7.8427 119.1311 58.6051 42.0506 179.2281 37 T 4.1083 7.8573 107.8231 63.8360 68.9954 175.6023 38 E 4.1819 8.1409 119.8598 55.5777 29.8680 175.7208 39 H 3.5844 7.3905 114.8606 56.6701 27.0360 175.8954 40 D 4.4185 7.6997 119.6899 53.3293 41.0279 174.4706 41 Y 4.5122 7.7465 124.2394 59.5868 38.1425 177.5419 42 Q 4.0559 8.1162 118.5018 59.3419 29.1293 178.1759 43 T 4.0406 8.2429 116.7082 66.5131 68.4233 176.5620 44 L 4.0337 8.2958 122.8080 58.2302 42.2334 179.1497 45 S 4.2999 8.4211 114.1274 61.4711 62.5555 176.5178 46 K 3.9214 7.6483 121.2502 59.2303 31.9218 177.4453 47 Y 4.4299 8.2345 115.9622 59.0937 38.4819 174.6067 48 Y 5.3450 7.6638 117.3701 56.2897 39.9825 174.4506 49 N 5.2652 8.7098 120.4587 50.5104 40.2001 175.3409 50 R 4.0191 8.6447 113.5477 58.7624 29.3673 176.9155 51 D 4.7899 8.6367 116.8582 53.9167 41.6863 176.6063 52 S 4.5036 7.9817 117.1251 58.6823 64.2066 173.1027 53 V 4.7245 8.6205 124.0698 61.0525 34.1397 173.9575 54 F 4.9302 9.4306 131.0788 56.9045 41.0669 173.1558 55 Y 5.3596 9.0656 128.8493 55.9643 41.2584 173.9193 56 D 4.9878 9.2257 128.2251 52.6753 41.6156 176.8647 57 K 3.2396 8.2259 129.1672 59.1257 32.6465 178.4541 58 T 3.9675 7.9986 108.6200 64.1237 68.7943 175.2491 59 A 4.3231 8.8088 123.0028 51.2784 19.8038 175.8837 60 D 4.5309 7.6858 114.8075 55.7691 40.2329 173.0786 61 T 4.6779 7.5289 107.3142 59.7391 72.6557 173.7433 62 K 4.9882 7.9805 123.4997 55.0016 35.4481 174.6012 63 Y 4.6243 9.0462 124.7803 56.1266 40.9657 174.6405 64 I 4.8632 8.4304 123.9460 60.6027 40.4210 176.2558 65 G 4.3348 9.4706 112.6009 46.0743 0.0000 174.0370 66 T 3.9764 8.6701 117.6485 67.0478 68.4538 176.8863 67 R 3.9523 7.9489 118.7672 59.5594 30.3530 179.3219 68 S 4.2072 7.9843 114.4158 61.3451 62.9146 176.7594 69 I 3.6779 7.8178 122.6123 64.3463 36.8296 178.3666 70 I 3.5971 7.8507 120.4080 64.4279 36.9588 178.2918 71 A 4.1013 7.8186 122.7933 54.5271 18.1400 179.5136 72 F 3.8686 7.8963 118.7647 61.2714 39.3491 177.5039 73 L 3.4270 7.6680 118.6283 57.3958 40.8349 179.4236 74 Q 3.8018 7.7795 118.2815 58.9892 28.4290 179.1127 75 R 3.8103 7.3212 117.4992 59.3540 30.1397 179.0902 76 S 3.8868 7.3895 113.7176 60.9529 63.0534 175.5054 77 H 4.7945 7.6956 116.1557 53.9770 28.8554 174.0927 78 E 4.0653 7.1554 122.6747 57.8252 29.5629 177.1985 79 G 3.9463 8.9031 114.3705 45.2047 0.0000 173.5032 80 V 3.7802 7.4617 119.6499 62.9953 32.1795 175.5064 81 L 4.5169 8.8166 126.6291 56.5040 42.8044 177.1406 82 E 4.8873 7.9830 116.5747 54.7164 34.1663 174.9242 83 F 5.5906 8.7234 125.3700 57.7121 42.2245 172.8558 84 D 4.5670 9.2159 125.3224 52.6521 45.8641 174.5440 85 F 4.8343 8.3747 123.8421 56.5172 40.6525 175.0976 86 N 4.4416 9.1852 126.1491 52.6941 38.9400 174.5350 87 I 3.9519 7.6709 125.5247 60.1655 37.3803 175.9774 88 E 4.1635 9.0149 128.4783 59.3888 30.1923 175.9622 89 H 4.7417 7.6857 116.2923 55.2664 33.4104 172.0727 *91 F 4.8467 8.4325 114.6258 56.9252 39.3755 173.5492 92 N 5.3482 8.6833 114.6694 51.7378 40.2557 174.1041 93 T 4.5151 8.5243 116.0481 62.3763 71.4095 174.2773 94 G 3.8029 8.5734 118.7938 46.4694 0.0000 171.8289 95 P 4.5388 0.0000 0.0000 63.0413 31.9047 175.0356 96 L 4.7523 7.9396 123.4395 54.4156 43.2721 175.2593 97 V 4.7502 8.9850 126.9131 61.1300 34.3973 174.5270 98 V 4.6114 8.1384 126.7466 60.7687 34.9729 174.2406 *100 I 3.9760 8.1001 121.2187 60.8320 38.2859 175.2989 101 G 4.3239 8.3362 115.6777 45.9342 0.0000 171.5139 102 N 5.6096 8.5119 119.4016 51.5920 41.5081 173.5773 103 Y 5.0375 9.3607 119.7324 57.2076 39.9575 173.9164 104 H 5.4755 9.1705 124.6662 54.4708 32.5653 173.1037 105 L 5.3946 8.5637 126.3415 53.3163 45.6613 174.8067 106 R 4.9327 8.8596 126.3233 54.7221 33.1691 174.4311 107 G 4.2717 8.5551 111.8400 44.9460 0.0000 170.3957 108 P 4.8134 0.0000 0.0000 63.2681 31.6609 177.2388 109 G 4.1672 8.7754 110.0153 44.7879 0.0000 175.2907 110 E 3.9539 8.5158 120.9339 59.7923 29.2909 179.1219 111 Q 4.0808 7.9906 114.0498 57.7602 28.8002 176.8884 112 F 4.8164 8.1136 119.4220 56.9708 39.5062 176.0905 113 G 3.9687 8.0480 105.2796 45.9722 0.0000 175.2255 114 K 4.6622 7.6017 117.1961 53.5700 32.5178 174.0808 115 P 4.2311 0.0000 0.0000 64.0241 32.2579 177.7779 116 G 3.9742 9.1330 107.8289 45.5718 0.0000 173.0872 117 K 4.7282 7.4885 117.4492 54.4898 36.9861 175.1958 118 I 4.6831 8.3409 123.6468 60.0371 38.2882 175.6178 119 I 4.4390 8.6591 121.8247 60.1405 39.9672 174.5583 120 D 5.1257 8.9555 122.9377 52.8954 43.9227 174.4639 121 I 4.9957 8.8075 118.5890 59.1792 41.6949 174.4558 122 A 5.0721 9.5263 125.2767 50.6844 21.3947 175.6484 123 I 4.3851 9.0089 124.1481 59.6029 39.0393 174.2159 124 P 4.8768 0.0000 0.0000 63.1387 32.0559 176.0255 125 G 4.2484 9.1060 108.7767 45.5796 0.0000 171.9799 126 V 4.9662 8.8130 120.7637 61.1432 34.3293 174.3345 127 T 5.2136 8.8544 124.1508 61.9430 71.0477 173.3568 128 T 4.8307 8.8686 116.8007 59.8782 71.9087 173.2677 129 L 4.7302 8.5776 123.4204 52.6409 45.3624 175.2117 130 K 4.8600 8.5658 125.2173 54.7427 34.3424 174.8562 131 F 5.1407 8.5045 126.2771 55.8474 41.2930 175.4360 132 D 4.5950 9.1262 122.3858 53.1415 41.2753 175.6263 133 P 4.4082 0.0000 0.0000 64.6728 31.7714 176.6344 134 N 4.5854 8.7134 117.7441 54.8355 39.2246 175.3521 135 T 4.3936 8.0001 105.4107 60.5000 70.3166 174.3176 136 Q 3.5836 8.2164 119.7096 56.8933 27.1091 173.4857 137 R 4.9025 7.6353 115.7686 54.4405 31.8767 175.6940 138 L 4.1182 9.3329 123.8376 55.5761 42.9368 176.8468 139 T 4.3215 9.1615 123.5152 65.7299 69.8894 174.5401 140 E 5.1198 7.6848 120.8398 54.8316 33.4603 172.9704 141 Q 4.8134 9.0616 128.2591 54.2107 31.7043 174.1046 142 V 4.7803 8.6242 126.0031 61.2546 34.5797 173.6014 143 D 5.3495 9.0561 128.1708 52.6662 43.2148 175.5581 144 L 5.0546 8.7286 122.0700 51.8803 45.8210 175.3318 *146 D 4.4190 8.4330 119.5562 54.5259 41.1239 174.6714 147 Y 4.4063 7.7954 120.1554 60.2378 38.8860 177.4623 148 Q 4.1866 8.3485 120.9767 59.5082 29.5247 179.0093 149 T 4.1782 8.0290 112.6378 63.9841 68.0187 176.1792 *151 S 4.4204 8.2674 117.6233 58.5923 64.1334 175.3020 152 D 4.4141 8.4328 118.9549 57.5705 40.6829 178.6542 153 Q 4.1538 8.1573 118.2196 59.1305 28.7796 178.9087 154 L 3.9945 7.9493 119.3608 57.9507 41.4226 179.4392 155 Q 4.0924 8.1305 117.5318 58.6524 28.7195 178.2913 156 S 4.4003 7.7433 113.1847 59.4340 63.5473 174.2489 157 Q 4.2275 7.7921 126.7904 56.1138 28.7261 175.1783 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 21 D 8.36 4.65 0.00 2.71 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 R 7.75 4.01 0.00 1.86 1.88 0.00 3.17 0.00 0.00 3.38 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 23 P 0.00 4.39 0.00 2.16 1.99 0.00 3.62 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 2.29 2.17 0.00 24 I 8.37 3.66 1.85 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 1.61 1.44 0.90 0.00 0.00 25 E 8.08 3.91 0.00 2.11 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 2.55 2.46 0.00 26 Q 7.97 4.03 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.91 0.00 0.00 0.00 0.00 0.00 2.44 2.58 0.00 27 Q 8.18 4.01 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.54 0.00 28 L 8.17 3.86 0.00 1.47 0.75 0.49 0.89 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 29 A 7.87 4.19 1.49 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 0.00 0.00 30 L 8.22 4.06 0.00 1.70 1.71 0.88 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.17 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 0.00 0.00 0.00 32 Y 7.74 3.25 0.00 2.34 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 33 I 8.11 3.78 1.94 0.00 0.00 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 1.84 0.92 1.01 0.00 0.00 34 K 8.50 3.82 0.00 1.86 1.95 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.50 7.81 35 A 7.79 3.90 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 36 L 7.84 3.93 0.00 1.56 1.78 1.29 0.96 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 37 T 7.86 4.11 4.11 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 0.00 0.00 0.73 0.00 0.00 38 E 8.14 4.18 0.00 1.99 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 2.28 2.36 0.00 39 H 7.39 3.58 0.00 3.10 3.12 0.00 5.63 0.00 0.00 0.00 0.00 8.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 D 7.70 4.42 0.00 2.65 2.59 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 41 Y 7.75 4.51 0.00 3.14 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 42 Q 8.12 4.06 0.00 2.03 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 7.06 0.00 0.00 0.00 0.00 0.00 2.40 2.57 0.00 43 T 8.24 4.04 4.33 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 1.31 0.00 0.00 44 L 8.30 4.03 0.00 1.92 1.83 0.26 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.42 4.30 0.00 4.25 4.37 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 46 K 7.65 3.92 0.00 1.48 1.70 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.67 1.53 7.81 47 Y 8.23 4.43 0.00 3.08 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 48 Y 7.66 5.35 0.00 3.16 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 49 N 8.71 5.27 0.00 2.99 3.03 0.00 0.00 6.70 7.24 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 50 R 8.64 4.02 0.00 1.96 2.15 0.00 3.02 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 51 D 8.64 4.79 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 52 S 7.98 4.50 0.00 3.80 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 53 V 8.62 4.72 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.96 0.00 0.00 54 F 9.43 4.93 0.00 3.19 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 55 Y 9.07 5.36 0.00 2.97 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 56 D 9.23 4.99 0.00 2.96 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.23 3.24 0.00 1.12 1.56 0.00 1.79 0.00 0.00 1.68 0.00 0.00 3.09 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.24 7.81 58 T 8.00 3.97 4.46 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 1.22 0.00 0.00 59 A 8.81 4.32 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 60 D 7.69 4.53 0.00 2.82 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 61 T 7.53 4.68 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 1.19 0.00 0.00 62 K 7.98 4.99 0.00 1.59 1.43 0.00 1.51 0.00 0.00 1.45 0.00 0.00 2.28 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.18 1.38 7.81 63 Y 9.05 4.62 0.00 2.74 2.68 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 0.00 0.00 0.00 0.00 64 I 8.43 4.86 1.83 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.53 0.95 0.00 0.00 65 G 9.47 4.33 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 0.00 66 T 8.67 3.98 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 1.42 0.00 0.00 67 R 7.95 3.95 0.00 1.87 1.99 0.00 3.14 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.75 0.00 68 S 7.98 4.21 0.00 4.08 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 69 I 7.82 3.68 1.55 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.96 0.94 0.00 0.00 70 I 7.85 3.60 1.94 0.00 0.00 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 1.83 1.15 0.71 0.00 0.00 71 A 7.82 4.10 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 72 F 7.90 3.87 0.00 2.32 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 7.67 3.43 0.00 1.64 1.75 1.25 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 74 Q 7.78 3.80 0.00 2.01 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.03 1.82 0.00 75 R 7.32 3.81 0.00 1.69 1.82 0.00 3.10 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.75 0.00 76 S 7.39 3.89 0.00 3.09 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 77 H 7.70 4.79 0.00 3.28 3.07 0.00 5.65 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 E 7.16 4.07 0.00 2.08 1.82 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 2.31 2.37 0.00 79 G 8.90 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 80 V 7.46 3.78 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 0.89 0.00 0.00 0.95 0.00 0.00 81 L 8.82 4.52 0.00 1.72 1.73 0.94 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 82 E 7.98 4.89 0.00 1.99 1.90 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 2.35 2.35 0.00 83 F 8.72 5.59 0.00 2.89 2.90 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 84 D 9.22 4.57 0.00 2.60 2.40 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 85 F 8.37 4.83 0.00 2.21 2.58 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 86 N 9.19 4.44 0.00 2.77 2.70 0.00 0.00 6.70 7.00 0.00 0.00 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 I 7.67 3.95 1.53 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.22 -0.26 0.67 0.00 0.00 88 E 9.01 4.16 0.00 1.94 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 0.00 2.30 2.22 0.00 89 H 7.69 4.74 0.00 3.10 3.25 0.00 5.95 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *91 F 8.43 4.85 0.00 3.12 3.11 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 0.00 0.00 0.00 92 N 8.68 5.35 0.00 3.08 2.79 0.00 0.00 5.81 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 93 T 8.52 4.52 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 1.25 0.00 0.00 94 G 8.57 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 95 P 0.00 4.54 0.00 2.52 2.38 0.00 3.72 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.99 0.00 96 L 7.94 4.75 0.00 1.83 1.77 0.87 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 97 V 8.99 4.75 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 0.89 0.00 0.00 1.06 0.00 0.00 98 V 8.14 4.61 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 0.54 0.00 0.00 0.66 0.00 0.00 *100 I 8.10 3.98 1.95 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.62 0.98 0.00 0.00 101 G 8.34 4.32 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 0.00 102 N 8.51 5.61 0.00 2.92 2.94 0.00 0.00 7.34 7.18 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 0.00 103 Y 9.36 5.04 0.00 3.02 3.10 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 0.00 0.00 0.00 104 H 9.17 5.48 0.00 3.28 3.21 0.00 5.53 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 0.00 105 L 8.56 5.39 0.00 1.89 1.40 0.85 0.47 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 0.00 106 R 8.86 4.93 0.00 1.93 1.78 0.00 3.38 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.69 0.00 107 G 8.56 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 0.00 0.00 0.00 0.00 108 P 0.00 4.81 0.00 1.98 2.11 0.00 3.73 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.14 0.00 109 G 8.78 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 0.00 0.00 0.00 0.00 110 E 8.52 3.95 0.00 2.04 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 0.00 2.41 2.48 0.00 111 Q 7.99 4.08 0.00 1.87 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.34 0.00 0.00 0.00 0.00 0.00 1.85 1.26 0.00 112 F 8.11 4.82 0.00 3.14 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 G 8.05 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 0.00 114 K 7.60 4.66 0.00 1.80 1.73 0.00 1.71 0.00 0.00 1.90 0.00 0.00 3.02 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.65 1.38 7.81 115 P 0.00 4.23 0.00 2.18 2.06 0.00 3.83 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 116 G 9.13 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 0.00 117 K 7.49 4.73 0.00 1.82 1.65 0.00 1.67 0.00 0.00 1.83 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.46 7.81 118 I 8.34 4.68 1.88 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 1.41 0.81 0.92 0.00 0.00 119 I 8.66 4.44 1.67 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.59 0.89 0.00 0.00 120 D 8.96 5.13 0.00 2.65 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 I 8.81 5.00 1.84 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.71 0.77 0.00 0.00 122 A 9.53 5.07 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 0.00 123 I 9.01 4.39 1.97 0.00 0.00 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 1.28 0.85 0.82 0.00 0.00 124 P 0.00 4.88 0.00 1.96 2.03 0.00 3.74 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.14 0.00 125 G 9.11 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 0.00 126 V 8.81 4.97 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 1.03 0.00 0.00 1.00 0.00 0.00 127 T 8.85 5.21 4.40 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 1.29 0.00 0.00 128 T 8.87 4.83 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 1.15 0.00 0.00 129 L 8.58 4.73 0.00 1.39 0.73 0.90 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 130 K 8.57 4.86 0.00 1.68 1.50 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.26 1.35 7.81 131 F 8.50 5.14 0.00 3.05 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.13 4.60 0.00 2.72 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 0.00 133 P 0.00 4.41 0.00 2.25 2.21 0.00 3.85 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 134 N 8.71 4.59 0.00 2.69 2.90 0.00 0.00 7.01 8.35 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 0.00 135 T 8.00 4.39 4.29 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 1.30 0.00 0.00 136 Q 8.22 3.58 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.77 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 137 R 7.64 4.90 0.00 2.03 2.12 0.00 3.23 0.00 0.00 3.31 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.62 0.00 138 L 9.33 4.12 0.00 1.51 1.83 0.04 0.95 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 0.00 139 T 9.16 4.32 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 1.19 0.00 0.00 140 E 7.68 5.12 0.00 1.96 1.66 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 2.27 2.32 0.00 141 Q 9.06 4.81 0.00 1.77 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.52 0.00 0.00 0.00 0.00 0.00 1.76 2.13 0.00 142 V 8.62 4.78 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 0.89 0.00 0.00 1.04 0.00 0.00 143 D 9.06 5.35 0.00 2.64 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 L 8.73 5.05 0.00 1.49 1.48 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 *146 D 8.43 4.42 0.00 2.61 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 0.00 147 Y 7.80 4.41 0.00 3.09 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.35 4.19 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.20 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 149 T 8.03 4.18 4.44 0.00 0.00 0.00 0.00 0.00 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 *151 S 8.27 4.42 0.00 4.02 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 0.00 152 D 8.43 4.41 0.00 2.87 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 Q 8.16 4.15 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 154 L 7.95 3.99 0.00 1.86 1.76 1.09 0.77 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 0.00 155 Q 8.13 4.09 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.93 0.00 0.00 0.00 0.00 0.00 2.42 2.56 0.00 156 S 7.74 4.40 0.00 3.99 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 0.00 157 Q 7.79 4.23 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.58 0.00 0.00 0.00 0.00 0.00 2.30 2.43 0.00 * Residues marked with a * may have inaccurate shift predictions.