NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3466 8.2493 123.5878 50.8360 21.5882 176.8120 3 T 4.8503 7.7471 106.0202 56.6407 67.3502 170.4520 4 P 4.6872 0.0000 0.0000 62.3696 34.9302 177.2726 5 A 4.7594 7.4650 120.3649 50.6077 21.5619 175.2968 6 Y 5.1633 8.5492 116.3676 54.8255 42.7931 174.5733 *8 S 4.7540 8.2468 112.9086 58.7144 64.8461 172.8787 9 I 5.0719 8.1920 121.8238 59.8659 40.8588 174.2002 10 T 4.9764 8.8865 123.2491 61.8910 71.1952 173.2700 11 G 4.8029 9.8653 115.4568 43.8724 0.0000 174.5046 12 T 3.9543 8.2933 113.5744 64.2635 68.8676 175.4577 13 K 4.2259 8.2563 119.5055 58.0425 32.7955 177.4413 14 Q 4.3242 8.2618 114.4720 55.2090 30.3401 177.9225 15 G 3.7268 8.1969 107.1016 46.0352 0.0000 174.7653 16 L 4.6495 8.3000 127.5235 54.5076 41.5732 177.5514 17 I 4.0007 9.1294 129.6752 63.3749 37.4932 177.2833 18 T 4.3862 7.7804 109.0684 60.9360 68.9987 173.9003 19 A 4.0831 7.5914 125.3258 53.7175 18.4298 178.1018 20 G 3.9375 9.0407 110.8102 46.5014 0.0000 174.3289 21 A 4.3333 7.9854 122.7933 52.8968 19.3368 178.7086 22 F 4.9589 8.0775 119.1697 56.2084 38.8470 173.9141 23 T 4.9739 7.4628 114.9290 58.2542 73.3979 174.2969 24 E 3.6971 7.7503 120.4768 59.7728 29.1584 179.2633 25 D 4.3105 7.8423 116.4524 57.6549 41.0082 178.6738 26 S 4.2691 7.7210 111.3016 60.8358 62.5922 175.0520 27 V 4.2993 8.2643 112.3660 60.2347 34.3283 177.8397 28 G 3.8865 8.0455 108.9738 45.9801 0.0000 176.1043 29 N 4.4799 8.7671 122.3694 55.6509 38.8818 175.6420 30 T 4.1519 7.6989 113.0209 65.7882 69.3970 174.3270 31 Y 3.4400 7.9115 124.3696 57.3488 39.1648 174.5105 32 Q 4.1071 7.6849 127.2932 53.4428 32.0454 174.6450 33 E 4.1925 7.3424 121.9470 56.6293 30.2468 176.7843 34 G 3.9777 8.8359 107.1146 46.2245 0.0000 174.4161 35 H 4.7504 7.8725 117.1930 54.8483 30.3458 175.5200 36 E 4.9943 8.5783 120.8569 58.6047 29.5283 178.4236 37 D 5.2345 8.0844 116.3918 53.9366 41.2356 175.1254 38 Q 4.9481 8.1831 118.7764 54.1809 33.3774 176.6328 39 V 4.3377 7.5658 118.0045 62.0593 31.4963 177.8012 *41 V 4.0170 8.2967 119.6868 62.9102 31.4166 174.7085 42 Q 4.5388 9.0696 125.6593 55.6259 29.5928 175.5011 43 G 4.3667 7.5128 105.9178 45.2732 0.0000 171.6875 44 F 5.0914 8.5523 119.1824 57.3566 42.5188 172.6921 45 N 4.9996 8.0641 123.7743 52.7740 42.5816 172.4016 46 H 5.1136 8.6249 122.7168 55.7626 33.1992 172.3192 47 E 4.6094 8.3271 123.0668 55.0576 33.0964 173.4927 48 V 4.7154 8.2945 126.4514 61.1425 33.7903 174.2380 49 I 4.6691 8.4327 126.4738 59.3260 42.2786 173.9693 50 I 4.5852 8.0773 126.3215 58.8030 38.1186 174.1150 51 P 4.1800 0.0000 0.0000 65.1407 31.4144 176.9852 *63 R 4.1795 7.5622 112.1659 55.8082 30.5487 174.7086 64 V 4.3362 8.2062 117.8969 61.4715 34.1318 174.4873 65 H 4.6325 7.9091 125.2733 55.3024 29.4947 175.1128 66 K 4.6525 8.0956 120.2227 53.7315 34.6600 174.6561 67 P 4.9319 0.0000 0.0000 63.1360 32.2983 176.2411 68 V 4.0087 9.4485 123.3442 62.6696 33.2613 175.2042 69 V 4.8300 8.4705 126.7917 61.3284 34.2482 174.4294 70 I 5.1622 8.6487 121.5350 58.8228 41.1243 174.4522 71 T 5.3289 8.2234 117.3750 61.9626 72.8436 173.5704 72 K 4.6883 9.2245 123.7708 55.9045 36.7615 175.2156 73 V 5.1954 8.1454 112.5255 58.8512 33.9950 176.2082 74 F 4.3675 9.1596 120.8468 58.7021 39.3567 175.0600 75 D 4.7526 8.4235 120.2621 53.0558 42.0742 174.7791 76 K 4.0462 8.7381 119.6286 59.8725 32.5104 179.3828 77 A 4.1768 8.1924 120.4066 54.8691 18.3913 179.3392 78 S 4.0209 8.3561 113.9689 61.6958 63.1124 175.4511 79 P 4.3071 0.0000 0.0000 65.0616 31.0625 178.8610 80 L 3.9923 7.7013 117.8164 57.8024 41.7358 179.0643 81 L 4.0789 8.3323 119.3283 57.7624 41.5161 179.7101 82 L 3.8842 7.8233 118.1674 57.6145 41.5789 179.0545 83 A 3.9176 7.7896 120.0694 55.2952 18.3667 179.1375 84 A 4.0521 8.3742 119.3152 55.5369 18.4537 179.3711 85 L 3.8330 8.2587 118.8313 58.6946 42.0479 179.3498 86 T 4.0251 8.3409 108.4840 63.8580 68.8281 175.7190 87 S 4.4457 8.0502 116.3863 58.2686 63.5234 174.7416 88 G 3.7863 7.6756 109.8343 46.1588 0.0000 172.9921 89 E 4.0163 7.9038 121.1853 55.1679 30.2862 175.8873 90 R 4.4055 8.5547 127.3139 56.5675 31.5889 175.1050 91 L 4.4506 9.9640 127.6203 54.1301 42.2895 177.3617 92 T 3.8995 8.6711 122.1885 66.3607 69.8288 174.6592 93 K 4.8981 8.1222 122.6853 55.1740 35.9747 174.7257 94 V 4.7381 8.3695 127.5872 61.0550 33.7887 173.9393 95 E 4.9972 8.7207 128.3407 54.6593 32.4171 174.3946 96 I 4.3000 9.1245 129.5483 59.9003 39.2730 174.6735 97 Q 4.8225 8.9283 127.1122 53.9057 31.0826 174.7675 98 W 5.0376 9.3966 124.7866 55.6683 30.8209 175.1102 99 Y 5.6869 8.7852 121.0014 56.6139 41.5157 174.7113 100 R 4.6983 8.9820 117.3356 55.2824 33.7585 173.9181 101 T 4.8194 8.5895 116.8917 62.0865 69.1044 175.4486 102 S 4.4295 9.1790 122.1743 57.5311 63.9765 175.0598 103 A 3.9098 8.4591 122.3555 54.6924 18.1067 178.1317 104 A 4.3793 8.0484 116.6506 52.1002 19.0495 177.6736 105 G 3.9635 8.1812 104.8703 45.9463 0.0000 173.6391 106 T 4.7765 7.6160 115.4872 61.1211 72.0834 173.7395 107 Q 4.8549 8.6596 124.0065 56.2157 30.1426 175.0671 108 E 5.0462 9.5939 121.0257 54.9017 33.7141 173.7607 109 H 4.5773 8.9421 122.1765 56.1559 30.3074 174.1627 110 Y 4.8159 8.9312 121.7315 56.4421 40.2159 174.2461 111 Y 4.8317 7.0620 120.5311 56.2809 42.7649 173.4426 112 T 5.3314 8.4028 121.3798 62.1306 72.8290 172.8738 113 T 4.9876 9.3100 122.2906 61.7920 72.0558 173.4277 114 V 4.6522 8.1944 124.9453 61.2705 35.3557 173.7374 115 L 4.8374 9.3537 128.9716 53.3889 44.0237 175.2321 116 E 4.8814 8.7165 122.1996 55.0829 32.2996 175.9689 117 D 4.6570 8.1525 122.2318 55.3491 38.7247 173.5519 118 A 4.7125 8.0007 119.7999 51.6978 21.0386 177.9032 119 I 4.5898 8.4409 119.0566 59.5649 41.5051 175.0124 120 I 4.2709 8.5134 127.6917 61.3082 36.9092 176.0972 121 V 4.1927 8.6792 121.4473 62.0626 32.8393 176.0154 122 D 4.4578 7.2127 117.0679 52.7223 41.7324 175.0645 123 I 5.1592 8.3360 119.9762 59.4814 41.4024 174.6474 124 K 4.5770 8.8057 125.9233 54.8720 35.1467 174.3453 125 D 5.5166 8.8820 127.4747 53.0354 42.3930 175.3337 126 Y 4.0201 8.4568 122.8776 57.3884 42.6199 174.3663 *128 H 4.7107 9.1424 111.9989 55.7945 31.1290 173.1925 *138 F 4.3878 7.6848 129.8830 58.2281 39.2757 174.8310 139 T 4.1374 8.1861 122.3265 65.0413 69.4299 174.9371 140 H 4.5975 7.8429 119.0564 54.4378 30.1982 174.5124 141 L 5.2852 8.0830 122.8042 52.8343 46.1753 175.5113 142 E 5.5969 8.1255 115.1170 56.7789 33.5307 174.1237 143 D 5.4093 8.7442 127.8427 53.1348 43.2414 175.7693 144 V 4.7613 8.6778 122.2687 61.3377 35.0589 173.6570 145 H 5.4210 8.7439 124.0139 54.0157 31.6440 173.0452 146 F 5.4579 9.5477 122.1278 56.0333 42.3398 175.5134 147 T 4.6130 8.4728 114.0353 61.0436 71.4046 172.5226 148 Y 4.9301 6.4564 117.1673 56.7960 39.7330 174.0060 149 R 4.2850 8.4362 119.8492 58.0119 31.5646 175.6545 150 K 4.9446 7.9313 116.8793 55.9842 35.5790 173.4245 151 I 5.2593 8.0356 124.5928 58.6642 41.9778 173.8005 152 T 4.5904 7.6792 123.3246 61.3460 72.6237 172.5305 153 W 5.0799 9.4652 125.9102 55.1670 31.9824 174.8574 154 T 4.9118 8.3130 121.1692 61.8326 71.9576 172.3528 155 H 4.8868 9.5155 127.1313 55.2816 30.7288 175.4932 156 E 4.0749 9.1365 126.0233 58.2236 29.6687 178.0595 157 V 3.9788 8.1464 117.9879 64.5791 32.2233 176.6118 158 S 4.3980 8.2979 112.7062 58.1928 63.3237 175.1132 159 G 3.9641 8.0563 108.6593 45.2785 0.0000 173.9028 160 T 4.3516 7.4789 110.5764 61.8126 70.2079 173.6263 161 S 4.9986 8.0335 116.9651 57.6285 66.3974 173.1272 162 G 4.3615 8.6870 105.2001 46.1495 0.0000 172.5546 163 S 5.1837 8.6082 115.5670 57.1911 66.8163 171.9215 164 D 4.5865 8.7101 117.4360 53.8222 45.2002 173.5879 165 D 5.3517 8.7753 122.4825 52.5114 42.3924 175.8520 166 W 3.9808 8.7865 135.0000 57.8940 31.2770 175.0046 167 R 4.7056 7.8626 125.2960 55.8224 33.3324 175.3249 168 S 4.5863 9.0019 119.9664 58.9026 62.2635 168.7765 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 2 A 8.25 4.35 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 3 T 7.75 4.85 4.43 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 1.25 0.00 0.00 4 P 0.00 4.69 0.00 1.47 1.96 0.00 3.75 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.83 0.00 5 A 7.46 4.76 0.56 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 6 Y 8.55 5.16 0.00 2.80 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 *8 S 8.25 4.75 0.00 3.92 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 9 I 8.19 5.07 1.92 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.06 0.97 0.00 0.00 10 T 8.89 4.98 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 1.22 0.00 0.00 11 G 9.87 4.80 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 12 T 8.29 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 1.24 0.00 0.00 13 K 8.26 4.23 0.00 1.87 1.89 0.00 1.62 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.50 7.81 14 Q 8.26 4.32 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.77 0.00 0.00 0.00 0.00 0.00 2.31 2.68 0.00 15 G 8.20 3.73 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 0.00 0.00 0.00 16 L 8.30 4.65 0.00 1.74 1.60 0.98 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 17 I 9.13 4.00 1.91 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 1.37 0.81 0.95 0.00 0.00 18 T 7.78 4.39 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 1.24 0.00 0.00 19 A 7.59 4.08 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 20 G 9.04 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 21 A 7.99 4.33 1.44 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 0.00 0.00 0.00 22 F 8.08 4.96 0.00 3.39 3.24 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 23 T 7.46 4.97 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 1.28 0.00 0.00 24 E 7.75 3.70 0.00 1.74 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 0.00 1.99 1.47 0.00 25 D 7.84 4.31 0.00 2.58 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 S 7.72 4.27 0.00 4.02 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 V 8.26 4.30 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 0.99 0.00 0.00 0.59 0.00 0.00 28 G 8.05 3.89 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 0.00 0.00 0.00 29 N 8.77 4.48 0.00 2.66 2.80 0.00 0.00 6.86 7.70 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 30 T 7.70 4.15 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 1.73 0.00 0.00 31 Y 7.91 3.44 0.00 2.76 2.81 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 0.00 0.00 0.00 32 Q 7.68 4.11 0.00 2.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.79 0.00 0.00 0.00 0.00 0.00 2.11 2.22 0.00 33 E 7.34 4.19 0.00 2.24 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 2.18 2.21 0.00 34 G 8.84 3.98 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 0.00 0.00 0.00 35 H 7.87 4.75 0.00 2.62 2.61 0.00 5.83 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.58 4.99 0.00 2.13 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 2.53 2.78 0.00 37 D 8.08 5.23 0.00 2.66 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 38 Q 8.18 4.95 0.00 2.17 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.66 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 39 V 7.57 4.34 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 0.82 0.00 0.00 0.95 0.00 0.00 *41 V 8.30 4.02 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 0.94 0.00 0.00 0.80 0.00 0.00 42 Q 9.07 4.54 0.00 1.75 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.46 0.00 0.00 0.00 0.00 0.00 1.92 1.93 0.00 43 G 7.51 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 0.00 0.00 0.00 44 F 8.55 5.09 0.00 3.02 3.13 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 0.00 0.00 0.00 45 N 8.06 5.00 0.00 2.73 2.48 0.00 0.00 6.39 7.44 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 46 H 8.62 5.11 0.00 3.01 3.32 0.00 5.82 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.33 4.61 0.00 2.02 1.67 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 2.22 2.26 0.00 48 V 8.29 4.72 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 0.67 0.00 0.00 0.86 0.00 0.00 49 I 8.43 4.67 1.81 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 1.19 1.27 0.90 0.00 0.00 50 I 8.08 4.59 1.84 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 1.39 0.60 0.89 0.00 0.00 51 P 0.00 4.18 0.00 2.02 2.11 0.00 3.68 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 *63 R 7.56 4.18 0.00 1.90 1.97 0.00 3.19 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 64 V 8.21 4.34 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 0.82 0.00 0.00 0.88 0.00 0.00 65 H 7.91 4.63 0.00 1.59 2.90 0.00 5.68 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 K 8.10 4.65 0.00 1.76 1.75 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.50 7.81 67 P 0.00 4.93 0.00 2.11 2.25 0.00 3.81 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 2.19 2.39 0.00 68 V 9.45 4.01 2.35 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 1.02 0.00 0.00 1.03 0.00 0.00 69 V 8.47 4.83 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 0.73 0.00 0.00 0.93 0.00 0.00 70 I 8.65 5.16 1.98 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.53 1.15 0.00 0.00 71 T 8.22 5.33 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 1.34 0.00 0.00 72 K 9.22 4.69 0.00 1.77 1.89 0.00 1.34 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.49 7.81 73 V 8.15 5.20 2.29 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 1.32 0.00 0.00 1.14 0.00 0.00 74 F 9.16 4.37 0.00 2.79 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 75 D 8.42 4.75 0.00 2.84 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 76 K 8.74 4.05 0.00 1.77 1.94 0.00 1.82 0.00 0.00 1.85 0.00 0.00 2.88 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.49 1.42 7.81 77 A 8.19 4.18 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 S 8.36 4.02 0.00 3.94 3.89 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 79 P 0.00 4.31 0.00 2.15 2.09 0.00 3.75 0.00 0.00 3.91 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 80 L 7.70 3.99 0.00 1.90 1.86 0.94 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 81 L 8.33 4.08 0.00 1.74 1.69 0.95 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 82 L 7.82 3.88 0.00 1.83 1.67 0.88 0.55 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 83 A 7.79 3.92 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 84 A 8.37 4.05 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 L 8.26 3.83 0.00 1.75 1.83 0.88 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 86 T 8.34 4.03 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 87 S 8.05 4.45 0.00 4.04 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 0.00 88 G 7.68 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.90 4.02 0.00 2.04 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 2.31 2.24 0.00 90 R 8.55 4.41 0.00 1.92 1.78 0.00 3.21 0.00 0.00 3.32 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 91 L 9.96 4.45 0.00 1.89 1.64 1.02 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 92 T 8.67 3.90 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 1.20 0.00 0.00 93 K 8.12 4.90 0.00 1.69 1.56 0.00 1.52 0.00 0.00 1.52 0.00 0.00 2.76 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.27 1.47 7.81 94 V 8.37 4.74 1.73 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 0.29 0.00 0.00 0.64 0.00 0.00 95 E 8.72 5.00 0.00 1.89 1.70 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 2.15 2.19 0.00 96 I 9.12 4.30 1.81 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.75 -0.07 0.00 0.00 97 Q 8.93 4.82 0.00 2.09 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.85 0.00 0.00 0.00 0.00 0.00 2.17 2.24 0.00 98 W 9.40 5.04 0.00 2.88 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 99 Y 8.79 5.69 0.00 3.18 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 0.00 100 R 8.98 4.70 0.00 1.60 1.53 0.00 2.21 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.43 0.00 101 T 8.59 4.82 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 1.22 0.00 0.00 102 S 9.18 4.43 0.00 3.98 4.20 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 0.00 103 A 8.46 3.91 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 0.00 104 A 8.05 4.38 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 G 8.18 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 T 7.62 4.78 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 107 Q 8.66 4.85 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.83 0.00 0.00 0.00 0.00 0.00 2.50 2.36 0.00 108 E 9.59 5.05 0.00 2.03 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 0.00 2.25 2.36 0.00 109 H 8.94 4.58 0.00 2.51 3.12 0.00 5.69 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 Y 8.93 4.82 0.00 3.10 3.08 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 0.00 111 Y 7.06 4.83 0.00 1.60 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 T 8.40 5.33 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 1.23 0.00 0.00 113 T 9.31 4.99 4.48 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 1.28 0.00 0.00 114 V 8.19 4.65 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 0.89 0.00 0.00 0.88 0.00 0.00 115 L 9.35 4.84 0.00 1.34 1.44 0.81 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 116 E 8.72 4.88 0.00 1.89 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.16 0.00 117 D 8.15 4.66 0.00 2.82 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 0.00 118 A 8.00 4.71 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 0.00 119 I 8.44 4.59 1.78 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.65 0.86 0.00 0.00 120 I 8.51 4.27 1.78 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 1.25 0.51 0.64 0.00 0.00 121 V 8.68 4.19 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 0.60 0.00 0.00 0.97 0.00 0.00 122 D 7.21 4.46 0.00 2.53 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 0.00 123 I 8.34 5.16 1.80 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 1.11 0.56 0.90 0.00 0.00 124 K 8.81 4.58 0.00 1.79 1.64 0.00 1.49 0.00 0.00 1.40 0.00 0.00 2.13 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.44 1.46 7.81 125 D 8.88 5.52 0.00 2.65 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 0.00 126 Y 8.46 4.02 0.00 3.13 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 *128 H 9.14 4.71 0.00 3.17 3.35 0.00 5.93 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *138 F 7.68 4.39 0.00 3.00 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 T 8.19 4.14 4.09 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 1.19 0.00 0.00 140 H 7.84 4.60 0.00 2.82 2.04 0.00 5.57 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 L 8.08 5.29 0.00 0.64 0.82 0.78 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 142 E 8.13 5.60 0.00 1.84 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.00 0.00 143 D 8.74 5.41 0.00 2.76 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 0.00 144 V 8.68 4.76 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 0.31 0.00 0.00 0.87 0.00 0.00 145 H 8.74 5.42 0.00 3.15 3.17 0.00 5.63 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 F 9.55 5.46 0.00 2.98 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 0.00 147 T 8.47 4.61 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 1.04 0.00 0.00 148 Y 6.46 4.93 0.00 3.05 2.97 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 0.00 149 R 8.44 4.28 0.00 1.95 1.98 0.00 3.14 0.00 0.00 3.10 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 150 K 7.93 4.94 0.00 1.87 1.57 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.71 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.23 1.43 7.81 151 I 8.04 5.26 0.73 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.68 0.48 0.00 0.00 152 T 7.68 4.59 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 1.12 0.00 0.00 153 W 9.47 5.08 0.00 3.16 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.31 4.91 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 1.12 0.00 0.00 155 H 9.52 4.89 0.00 3.32 3.19 0.00 5.77 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 E 9.14 4.07 0.00 1.70 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 2.04 1.90 0.00 157 V 8.15 3.98 2.23 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 0.86 0.00 0.00 1.04 0.00 0.00 158 S 8.30 4.40 0.00 3.58 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 G 8.06 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 T 7.48 4.35 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 1.20 0.00 0.00 161 S 8.03 5.00 0.00 3.83 3.81 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 0.00 0.00 0.00 162 G 8.69 4.36 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 0.00 163 S 8.61 5.18 0.00 3.78 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 0.00 164 D 8.71 4.59 0.00 3.10 2.86 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 0.00 0.00 0.00 0.00 165 D 8.78 5.35 0.00 2.78 2.62 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 0.00 166 W 8.79 3.98 0.00 3.41 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 0.00 167 R 7.86 4.71 0.00 1.90 1.85 0.00 3.25 0.00 0.00 3.65 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 168 S 9.00 4.59 0.00 3.93 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 * Residues marked with a * may have inaccurate shift predictions.