NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *7 Y 4.5123 8.2445 119.1527 56.6531 37.2312 173.9116 8 R 4.5731 7.8010 124.4056 52.4012 32.2353 174.6296 9 L 3.9800 9.2387 124.7716 57.8589 43.1558 178.2481 10 D 4.9500 8.1066 115.7930 56.1493 40.9832 176.5156 11 D 4.6338 7.6427 117.6568 55.3883 41.7752 177.3782 12 Q 4.1793 8.1293 120.3844 55.4849 29.6330 176.9554 13 I 3.8838 8.5960 125.1992 63.7401 38.1028 178.1721 14 G 3.6128 8.0882 106.5598 47.6696 0.0000 175.2428 15 F 4.4740 8.2798 122.9649 61.0896 39.4636 177.0387 16 I 3.4690 7.6426 118.7905 64.3629 36.9189 178.2720 17 L 3.9558 8.2000 120.1273 57.8673 41.4771 179.6428 18 R 3.8870 8.0955 118.4047 59.5339 29.9571 178.6116 19 Q 3.8700 7.9846 117.5338 58.8736 28.7046 178.4960 20 A 3.9661 8.0078 121.7828 55.1320 18.3066 179.1582 21 N 4.2720 8.3127 115.4324 57.0668 39.1860 177.0412 22 Q 4.0054 8.5829 119.7451 58.9881 28.8081 178.9527 23 R 3.8796 8.3086 119.9097 59.4844 30.0610 177.8659 24 Y 3.9294 8.2121 119.0892 60.7511 38.8489 177.8028 25 A 4.0113 8.4151 121.5564 55.2761 18.4508 179.5541 26 A 3.9352 7.9600 118.8687 55.3105 18.4885 179.9199 27 L 3.8442 7.8896 117.5657 57.6268 41.6437 179.5678 28 F 3.5585 8.1920 120.6977 61.1883 39.1601 177.0401 29 A 4.0770 7.8837 118.9317 55.3837 18.2050 179.0764 30 N 4.4825 8.0638 114.1654 55.4100 38.6974 176.9449 31 G 3.7648 7.3708 105.0572 45.2769 0.0000 175.2853 32 I 3.2648 7.2366 121.2813 61.9859 37.6702 177.6356 33 G 3.9007 8.1985 106.7779 45.0177 0.0000 173.1758 34 N 4.7203 7.2507 114.2031 51.9297 37.6816 175.4685 35 G 3.9162 8.1441 105.5819 46.2326 0.0000 173.8476 36 L 4.6625 8.1144 119.4774 53.8734 42.9005 177.5853 37 T 4.2944 8.4423 112.3274 60.6810 70.9483 173.9283 38 P 3.1571 0.0000 0.0000 65.9804 31.2108 178.9920 39 T 3.9494 7.7170 107.6560 64.7320 69.1221 176.4309 40 Q 4.0188 7.9717 120.4676 58.6803 28.7551 179.0517 41 W 4.3299 8.5415 128.9368 60.3060 30.7582 177.8611 42 A 3.8694 8.3239 120.6211 55.2650 17.8129 179.4721 43 A 3.8884 8.1495 119.2867 55.0220 18.1799 179.6219 44 L 3.7368 7.4454 117.4545 58.1888 42.5380 178.8497 45 V 3.3348 7.5824 118.3847 66.0038 31.3646 177.8738 46 R 3.7898 8.0885 118.4603 59.5174 29.8941 178.4343 47 L 4.2208 7.5543 120.0476 56.9333 41.2605 179.8028 48 G 3.5634 7.6159 105.2416 47.4709 0.0000 175.5476 49 E 4.1036 7.8881 119.8891 59.3636 29.7178 178.7917 50 T 4.1549 8.0981 109.6039 63.5770 69.4686 175.9597 51 G 3.9161 7.9678 109.1023 43.3673 0.0000 170.3647 52 P 4.9895 0.0000 0.0000 63.2691 31.5866 175.4869 53 C 4.7413 8.3972 121.7078 57.3126 35.2480 171.1497 54 P 4.7108 0.0000 0.0000 62.6514 31.6091 177.1212 55 Q 3.9294 8.9393 124.0398 59.7103 29.0377 178.8039 56 N 4.3814 8.0762 116.8411 56.0886 38.4156 177.1462 57 Q 3.9490 7.9449 120.0876 58.9617 29.4228 177.2424 58 L 4.1561 8.3980 122.0352 58.0690 42.1604 179.2368 59 G 3.6234 8.0338 105.5435 47.9435 0.0000 175.5549 60 R 4.2133 7.8441 117.9333 57.1648 30.2401 177.7382 61 L 4.6350 7.4166 117.9713 54.5674 42.4564 176.6603 62 T 4.3857 7.2539 107.9274 60.4221 69.1285 173.5277 63 A 3.4043 8.0199 123.3191 53.2907 15.3135 177.0611 *65 D 4.3864 7.8868 117.6929 53.8995 43.7091 175.2511 66 A 4.0328 8.4136 125.3793 55.4740 17.9692 180.0725 67 A 3.9349 7.9344 118.5624 55.5080 18.5008 179.9020 68 T 3.8334 7.7638 113.6873 66.9296 68.6536 176.7859 69 I 3.7003 8.5228 121.4785 63.6016 37.9316 177.4889 70 K 4.1394 7.7152 122.4207 58.9209 31.9323 178.7162 71 G 3.7094 7.7685 104.0319 46.9232 0.0000 176.0814 72 V 3.5909 7.7142 120.5999 66.0864 31.6041 178.3404 73 V 3.6129 8.0244 118.1314 65.9627 31.2313 177.8575 74 E 3.9887 8.2082 118.4373 59.5266 29.4800 179.5727 75 R 3.9305 8.2291 118.2156 59.0749 30.0871 178.8725 76 L 4.1272 8.4063 120.5801 57.6817 41.8981 178.6905 77 D 4.2379 8.0701 118.3756 57.2777 41.1007 177.8141 78 K 3.4889 7.9575 119.3240 59.6300 32.1286 177.2060 79 R 4.1782 7.6038 113.6921 56.1487 30.2999 177.0482 80 G 3.8955 8.8664 107.1523 46.1057 0.0000 174.3519 81 L 4.7107 8.1302 119.5054 54.6316 42.8629 176.2157 82 I 5.2004 7.7315 111.5347 58.8472 41.0082 174.6575 83 Q 4.7119 9.2513 120.8794 54.5831 31.6064 174.4490 84 R 5.2547 8.3422 120.1922 55.0326 32.9980 175.4712 85 S 4.6682 8.6786 113.3293 56.9803 66.6268 174.3494 86 A 4.3991 8.8137 123.9326 52.6109 19.0134 176.7438 87 D 4.4875 9.4314 123.2290 53.6272 41.6717 175.5977 88 P 4.3952 0.0000 0.0000 64.8781 31.5442 176.4930 89 D 4.7549 8.0398 117.2378 54.1107 41.6724 176.4754 90 D 4.4600 7.6736 116.7624 53.2950 42.5694 175.8414 91 G 3.6718 8.5114 114.4816 47.4102 0.0000 172.3070 92 R 4.0285 7.6432 118.0615 57.6623 30.5267 175.7792 93 R 4.7102 8.4573 118.7759 55.0301 32.5890 174.6333 94 L 5.1744 8.4158 123.8618 53.1315 44.3731 175.6044 95 L 4.9070 9.0097 121.8044 53.0311 44.8865 175.6090 96 V 4.8033 8.8827 123.2251 61.6186 33.9452 174.4597 97 S 4.9196 8.8372 120.2463 56.4852 66.5770 172.7292 98 L 4.4717 8.3882 124.0231 54.4833 42.0421 177.4698 99 S 4.2763 8.6664 119.9028 58.0892 64.0107 173.7844 100 P 4.2083 0.0000 0.0000 66.0498 30.9557 178.9681 101 A 4.1410 8.0352 119.0637 55.0516 18.3932 179.7865 102 G 3.5293 8.0483 103.8629 47.7424 0.0000 175.8511 103 R 3.9161 8.4357 121.3258 59.2225 30.0587 178.4759 104 A 4.0424 8.2092 120.7464 54.8647 18.1094 179.1843 105 E 3.9216 8.2633 117.3974 59.3432 30.1458 178.3567 106 L 4.1525 7.7572 119.8092 58.5769 42.0373 178.8012 107 E 4.0452 8.2326 117.8745 59.4993 29.2235 179.2724 108 A 4.3127 8.3721 119.6727 54.1308 18.7734 178.9359 109 G 3.7640 8.1149 103.0547 45.4711 0.0000 175.9332 110 L 4.2362 7.7424 120.3165 57.9838 41.7622 178.9051 111 A 3.9680 8.1313 119.7091 55.3526 18.2298 179.3465 112 A 3.7578 7.8275 118.1445 55.2702 18.5627 179.4982 113 A 3.6681 7.7556 119.2267 55.2776 18.3903 180.0954 114 R 3.9364 8.3384 116.9308 59.3052 30.1107 178.9636 115 E 3.9070 8.1537 119.1310 59.2108 29.6511 178.6537 116 I 3.5601 8.1849 120.2539 64.5708 36.7497 177.8984 117 N 4.5467 8.2218 117.8187 56.6697 38.5768 177.1338 118 R 3.9912 7.9745 116.7445 59.3369 29.9754 178.6316 119 Q 4.0868 8.3381 118.6109 58.5910 28.4955 178.1525 120 A 4.0840 7.9411 120.7895 55.1215 18.5393 178.9133 121 L 4.3608 7.4698 113.2619 55.0806 42.4531 178.0859 122 A 4.1581 7.6777 121.7723 54.7827 18.0587 177.4675 123 P 4.3913 0.0000 0.0000 63.9093 31.5607 176.0762 124 L 4.9856 7.5907 118.2197 51.9613 45.3618 177.2360 125 S 4.4072 8.9104 117.3463 58.0118 64.9894 175.4424 126 L 4.0480 8.5368 122.8088 58.1844 41.3266 180.0495 127 Q 4.0238 7.9835 117.3531 59.1622 28.7611 178.4076 128 E 4.0035 7.8709 119.0577 59.3979 29.3511 179.3976 129 Q 3.9944 8.5128 118.6042 58.9779 28.8016 178.6324 130 E 3.9202 7.9064 120.0647 59.5443 29.6331 178.9063 131 T 3.8268 7.8031 115.6339 66.5325 68.5627 176.3422 132 L 3.9011 8.2211 122.4593 58.2002 42.1243 178.7770 133 R 4.0013 8.3675 119.1791 59.4044 29.7032 178.7036 134 G 3.5450 7.8264 104.2260 47.8114 0.0000 175.3226 135 L 4.1430 8.0384 122.2838 57.4512 41.7094 179.5761 136 L 4.0076 8.5670 120.1779 57.8120 41.5041 178.7044 137 A 4.0292 8.2566 121.1144 54.9564 18.0818 179.0762 138 R 4.2238 7.5708 113.4204 57.3266 30.3795 177.1057 139 L 4.6178 7.4317 117.6113 54.2727 42.5616 176.5664 140 I 3.8954 7.2978 124.4395 61.6239 36.9172 175.7639 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 Y 8.24 4.51 0.00 2.35 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 0.00 0.00 0.00 8 R 7.80 4.57 0.00 1.79 1.80 0.00 3.22 0.00 0.00 3.30 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.25 0.00 9 L 9.24 3.98 0.00 1.56 1.53 0.64 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 10 D 8.11 4.95 0.00 2.80 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 11 D 7.64 4.63 0.00 2.84 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 Q 8.13 4.18 0.00 2.27 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.79 0.00 0.00 0.00 0.00 0.00 2.67 2.51 0.00 13 I 8.60 3.88 1.89 0.00 0.00 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 1.58 1.47 0.93 0.00 0.00 14 G 8.09 3.61 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 0.00 15 F 8.28 4.47 0.00 3.03 3.26 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 16 I 7.64 3.47 2.00 0.00 0.00 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 1.46 0.78 0.87 0.00 0.00 17 L 8.20 3.96 0.00 1.83 1.72 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.10 3.89 0.00 1.94 2.15 0.00 3.15 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 19 Q 7.98 3.87 0.00 2.06 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.10 1.98 0.00 20 A 8.01 3.97 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 21 N 8.31 4.27 0.00 3.05 2.93 0.00 0.00 7.24 6.96 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 22 Q 8.58 4.01 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 23 R 8.31 3.88 0.00 1.87 2.09 0.00 3.10 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 24 Y 8.21 3.93 0.00 3.27 3.14 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 25 A 8.42 4.01 1.42 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 0.00 0.00 26 A 7.96 3.94 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 27 L 7.89 3.84 0.00 1.57 1.55 0.89 0.70 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 28 F 8.19 3.56 0.00 2.62 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 29 A 7.88 4.08 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 30 N 8.06 4.48 0.00 2.78 2.81 0.00 0.00 6.87 7.60 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 31 G 7.37 3.76 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 0.00 0.00 0.00 32 I 7.24 3.26 0.56 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.04 0.71 0.00 0.00 33 G 8.20 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 34 N 7.25 4.72 0.00 3.11 2.87 0.00 0.00 6.93 6.88 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 35 G 8.14 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 36 L 8.11 4.66 0.00 2.00 1.85 1.22 0.88 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 37 T 8.44 4.29 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 1.25 0.00 0.00 38 P 0.00 3.16 0.00 1.97 1.84 0.00 3.43 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.32 0.00 39 T 7.72 3.95 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 1.18 0.00 0.00 40 Q 7.97 4.02 0.00 2.48 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.86 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 41 W 8.54 4.33 0.00 3.70 3.43 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 42 A 8.32 3.87 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 43 A 8.15 3.89 1.34 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 0.00 0.00 0.00 44 L 7.45 3.74 0.00 1.78 1.56 0.92 0.71 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 45 V 7.58 3.33 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 0.78 0.00 0.00 -0.22 0.00 0.00 46 R 8.09 3.79 0.00 1.96 1.84 0.00 3.17 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 47 L 7.55 4.22 0.00 1.82 1.66 0.89 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 48 G 7.62 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.89 4.10 0.00 2.08 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 2.28 2.46 0.00 50 T 8.10 4.15 4.22 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 1.24 0.00 0.00 51 G 7.97 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 52 P 0.00 4.99 0.00 2.07 2.09 0.00 3.38 0.00 0.00 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.82 0.00 53 C 8.40 4.74 0.00 3.16 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 54 P 0.00 4.71 0.00 2.10 1.94 0.00 3.65 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 2.10 2.08 0.00 55 Q 8.94 3.93 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.91 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 56 N 8.08 4.38 0.00 2.84 2.84 0.00 0.00 6.75 7.67 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 57 Q 7.94 3.95 0.00 2.03 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 7.04 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 58 L 8.40 4.16 0.00 1.75 1.87 0.89 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 59 G 8.03 3.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 R 7.84 4.21 0.00 1.92 1.99 0.00 3.14 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 61 L 7.42 4.64 0.00 1.66 1.67 0.90 0.81 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 62 T 7.25 4.39 4.22 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 1.18 0.00 0.00 63 A 8.02 3.40 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 *65 D 7.89 4.39 0.00 2.74 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 66 A 8.41 4.03 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 67 A 7.93 3.93 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 68 T 7.76 3.83 4.42 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 1.21 0.00 0.00 69 I 8.52 3.70 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.45 1.07 0.00 0.00 70 K 7.72 4.14 0.00 2.11 2.00 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.57 1.47 7.81 71 G 7.77 3.71 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 0.00 0.00 0.00 72 V 7.71 3.59 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 1.08 0.00 0.00 0.98 0.00 0.00 73 V 8.02 3.61 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 0.98 0.00 0.00 0.96 0.00 0.00 74 E 8.21 3.99 0.00 2.08 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 2.44 0.00 75 R 8.23 3.93 0.00 2.05 2.00 0.00 3.15 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 76 L 8.41 4.13 0.00 2.05 1.75 0.98 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 77 D 8.07 4.24 0.00 3.01 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 78 K 7.96 3.49 0.00 1.86 2.06 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.47 7.81 79 R 7.60 4.18 0.00 1.95 1.98 0.00 3.31 0.00 0.00 3.27 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 80 G 8.87 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 81 L 8.13 4.71 0.00 1.76 1.72 0.99 0.55 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 82 I 7.73 5.20 1.93 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 1.52 0.54 0.91 0.00 0.00 83 Q 9.25 4.71 0.00 2.04 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 84 R 8.34 5.25 0.00 1.69 1.86 0.00 3.24 0.00 0.00 3.27 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 85 S 8.68 4.67 0.00 3.86 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 86 A 8.81 4.40 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 87 D 9.43 4.49 0.00 2.70 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 88 P 0.00 4.40 0.00 2.21 2.16 0.00 3.78 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 1.98 1.98 0.00 89 D 8.04 4.75 0.00 2.67 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 90 D 7.67 4.46 0.00 2.62 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 91 G 8.51 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 92 R 7.64 4.03 0.00 1.89 1.96 0.00 3.23 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 93 R 8.46 4.71 0.00 1.89 1.83 0.00 3.11 0.00 0.00 3.40 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 94 L 8.42 5.17 0.00 1.53 1.55 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 95 L 9.01 4.91 0.00 1.79 1.52 0.91 0.89 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 96 V 8.88 4.80 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 0.91 0.00 0.00 0.92 0.00 0.00 97 S 8.84 4.92 0.00 3.87 3.60 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 98 L 8.39 4.47 0.00 1.53 1.58 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 99 S 8.67 4.28 0.00 3.88 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 0.00 100 P 0.00 4.21 0.00 2.16 2.11 0.00 3.60 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 2.12 2.16 0.00 101 A 8.04 4.14 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.05 3.53 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 0.00 103 R 8.44 3.92 0.00 1.89 2.15 0.00 3.19 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 104 A 8.21 4.04 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 0.00 105 E 8.26 3.92 0.00 2.14 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 0.00 2.47 2.58 0.00 106 L 7.76 4.15 0.00 1.83 1.85 0.35 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 107 E 8.23 4.05 0.00 2.09 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 2.64 2.50 0.00 108 A 8.37 4.31 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 0.00 109 G 8.11 3.76 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 0.00 0.00 0.00 110 L 7.74 4.24 0.00 1.84 1.85 1.04 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 111 A 8.13 3.97 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 0.00 112 A 7.83 3.76 1.09 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 0.00 0.00 113 A 7.76 3.67 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 0.00 114 R 8.34 3.94 0.00 2.05 2.01 0.00 3.16 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.90 0.00 115 E 8.15 3.91 0.00 2.04 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 2.23 2.31 0.00 116 I 8.18 3.56 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 1.26 0.30 0.64 0.00 0.00 117 N 8.22 4.55 0.00 3.03 3.07 0.00 0.00 7.02 7.63 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 0.00 118 R 7.97 3.99 0.00 2.03 2.07 0.00 3.12 0.00 0.00 3.42 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.74 0.00 119 Q 8.34 4.09 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.57 0.00 120 A 7.94 4.08 1.59 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 0.00 0.00 121 L 7.47 4.36 0.00 1.67 1.74 1.02 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 122 A 7.68 4.16 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 0.00 123 P 0.00 4.39 0.00 2.06 2.12 0.00 3.74 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 2.03 2.12 0.00 124 L 7.59 4.99 0.00 1.84 1.52 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 125 S 8.91 4.41 0.00 4.22 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 0.00 126 L 8.54 4.05 0.00 1.71 1.78 0.93 0.82 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 0.00 127 Q 7.98 4.02 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.90 0.00 0.00 0.00 0.00 0.00 2.45 2.51 0.00 128 E 7.87 4.00 0.00 2.26 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 2.33 2.36 0.00 129 Q 8.51 3.99 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.64 0.00 130 E 7.91 3.92 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.50 0.00 131 T 7.80 3.83 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 1.21 0.00 0.00 132 L 8.22 3.90 0.00 1.73 1.86 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 133 R 8.37 4.00 0.00 2.10 1.92 0.00 3.15 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 134 G 7.83 3.54 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 0.00 0.00 0.00 135 L 8.04 4.14 0.00 1.99 1.73 0.92 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 136 L 8.57 4.01 0.00 1.90 1.65 0.91 0.96 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 0.00 137 A 8.26 4.03 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 0.00 138 R 7.57 4.22 0.00 2.01 1.99 0.00 3.12 0.00 0.00 3.31 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 139 L 7.43 4.62 0.00 1.74 1.65 0.92 0.69 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 0.00 140 I 7.30 3.90 2.08 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 1.14 0.32 0.90 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.