NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2969 8.2649 123.5735 51.9592 19.9254 175.8673 3 N 4.3798 8.1528 118.5831 51.1244 40.6953 172.5854 4 Y 4.4405 8.0754 119.8072 55.9333 43.1456 174.0498 5 W 5.4938 8.4602 119.9006 55.3472 34.7299 173.5680 6 L 5.2790 8.8587 121.5650 53.9302 45.3697 174.3140 7 Y 5.1533 9.4110 123.6315 56.1643 40.7530 174.8842 8 K 5.0415 9.3019 125.0064 55.9684 33.6391 176.6286 9 S 4.7444 9.2587 118.9527 56.8830 66.4348 172.7523 10 E 5.0604 9.2901 126.6501 54.4381 30.2837 175.6239 11 P 4.4552 0.0000 0.0000 66.1201 30.7273 178.2151 12 F 3.8579 8.3116 119.1168 60.3534 39.3803 176.4908 13 K 4.7107 7.4268 115.5081 56.7626 32.8220 177.1600 14 W 5.0047 8.5826 132.6304 56.0219 31.9991 174.3004 15 S 4.8707 7.9587 120.4313 56.3395 64.4742 174.2413 16 W 3.7003 9.1251 130.4819 60.5622 30.6563 178.4779 17 E 3.7098 7.5233 115.1676 56.8569 28.6309 178.5530 *19 Q 4.3646 8.2550 121.3811 56.1303 30.8585 177.4112 20 K 3.4968 7.2721 117.1419 59.0551 32.0971 179.2275 21 A 3.9554 7.4632 120.9380 54.7663 18.4759 178.8945 22 K 4.1141 8.0145 115.1574 57.2545 33.2203 178.4285 23 G 3.9563 7.9491 108.5433 45.7504 0.0000 174.6447 24 E 4.0895 8.8305 117.0013 59.2278 29.8494 178.6555 25 T 3.8123 7.4272 115.0365 64.5409 68.6520 175.5059 26 G 3.9435 8.2344 109.6226 44.5353 0.0000 171.7296 27 E 4.6025 8.9368 118.4119 54.0080 32.5507 174.6362 28 E 4.7259 8.7058 126.7102 55.6839 30.6123 177.3330 29 W 4.4027 8.7923 135.0000 56.3260 29.1408 175.2245 30 T 4.1721 7.0352 111.6731 61.7514 69.7098 176.0488 31 G 3.6335 8.5422 110.1842 45.0568 0.0000 173.9875 32 V 3.5840 7.1599 119.8692 62.6950 31.9862 176.1044 33 R 2.5481 7.8004 128.1937 54.6797 30.9947 175.7369 34 N 4.8350 7.4406 114.8742 51.1687 42.5382 172.6686 35 Y 4.4246 8.5009 125.6380 61.4536 38.1151 178.4617 36 Q 4.0667 8.4019 119.7176 59.1416 29.0333 177.9519 37 A 4.1563 8.4594 121.0436 55.1186 18.5076 179.2237 38 R 4.0745 8.1120 116.2701 59.8753 30.3171 178.2981 39 N 4.5904 8.5429 115.3389 56.0347 38.8585 177.5599 40 N 4.4727 8.1434 116.6957 53.6697 38.3667 177.0709 *42 R 4.6111 8.2894 120.1249 56.1189 32.6799 176.3087 43 A 4.2679 7.1841 122.5202 50.7263 17.6722 176.4863 *45 K 4.1233 7.3836 122.1976 55.2043 33.9719 176.3576 46 I 4.0482 8.0911 121.5580 63.2395 37.3180 176.8491 47 G 4.0085 8.8891 114.1099 45.0150 0.0000 173.5723 48 D 4.3890 8.0083 120.4777 54.8095 42.0513 176.0943 49 K 5.0402 9.0014 122.7700 55.7392 34.7149 175.6709 50 G 4.6717 8.8992 108.5098 46.0205 0.0000 171.7386 51 F 5.7082 9.2659 119.2089 56.3408 41.2845 175.2935 52 F 5.1342 9.3795 126.0167 57.0254 40.6753 173.5731 53 Y 5.2195 8.8090 128.3800 56.0233 41.5346 174.1308 54 H 5.0983 8.6330 124.8702 55.6346 29.8307 174.8681 55 S 4.7762 8.8585 118.6747 57.9982 65.5981 173.5965 56 N 4.5621 9.2991 122.3912 53.6466 38.1007 173.8028 57 E 4.6696 7.8000 115.4569 55.4521 32.6704 175.3544 58 G 4.0702 8.5263 114.0455 45.0450 0.0000 174.8507 59 L 3.4060 7.9020 117.5183 53.1182 39.9188 173.6699 60 D 5.1316 6.6474 115.2451 52.0051 43.6942 175.4186 61 V 4.3627 8.9131 121.1891 62.9123 31.8053 176.5209 62 V 4.0541 8.1110 121.2123 61.4043 33.2177 175.5812 63 G 2.8507 6.9230 106.0983 45.3347 0.0000 171.9406 64 I 5.3377 8.5205 120.6528 59.5912 40.3679 175.8110 65 V 5.3110 9.1317 118.9048 59.5786 36.1353 174.0078 66 E 5.3096 9.0269 118.2641 54.6895 33.4949 174.8841 67 V 4.2422 8.5311 122.2277 63.0387 32.4289 175.8546 68 C 5.0235 9.0288 121.3953 57.8643 31.0852 173.7182 69 A 4.6354 7.5557 121.2852 50.8805 22.1208 176.2990 70 L 4.4970 8.6263 122.5461 54.1175 43.2318 177.0820 71 S 4.3474 8.6307 116.0423 60.0937 63.7393 173.6005 72 H 5.2038 9.1027 118.6308 53.1508 32.4745 170.8556 73 P 4.5319 0.0000 0.0000 63.1047 31.9732 175.8457 74 D 4.5676 9.0905 124.3055 53.8655 41.1779 177.1541 75 S 4.2486 9.3962 123.3833 60.7602 62.9387 175.1018 76 T 4.2747 8.4775 110.0034 61.6877 69.1719 174.5534 77 A 4.4689 8.3941 126.3245 51.8054 19.4578 177.4590 78 E 3.8307 9.1634 114.1905 59.1845 28.2005 174.8470 79 G 3.9298 7.9513 99.1671 47.1620 0.0000 172.4655 80 D 4.6367 8.0325 119.7889 53.5998 42.2113 174.8340 81 L 4.5374 8.2753 119.8465 55.4456 43.8535 176.9759 82 K 4.0299 7.7078 114.6304 56.5256 33.3347 175.9166 83 W 5.3164 7.7538 121.0820 55.4018 30.9038 174.3413 84 D 5.6127 8.7642 123.5626 52.1058 42.6962 173.8670 85 C 4.7136 8.9704 112.9214 57.8207 33.6278 173.5038 86 V 4.7442 8.2411 113.1834 60.4279 34.1226 174.3533 87 D 5.6141 8.6103 120.2651 52.7650 43.9159 175.8923 88 I 5.1005 8.7521 115.0588 59.2015 41.4479 174.2595 89 R 5.0798 8.8674 118.2925 54.2187 33.1996 174.2731 90 A 4.5113 8.6706 122.1205 52.7746 18.7022 176.5829 91 V 4.3962 8.8356 120.4908 63.8508 33.3851 175.3562 92 C 4.9621 7.8307 112.1509 56.8376 32.6060 175.6073 93 D 5.4376 8.9967 127.0387 53.9914 39.1726 175.8180 *95 P 4.4064 0.0000 0.0000 62.9490 32.7037 176.5610 96 Q 4.4795 7.9772 122.3548 52.7690 30.6845 172.4053 97 P 4.2385 0.0000 0.0000 63.0874 32.3572 175.8337 98 V 4.1660 8.2528 124.5444 61.2889 32.7212 175.7795 99 S 4.7326 8.5480 122.9051 57.6939 64.0726 174.9328 100 L 4.0292 8.7352 123.8720 58.1234 41.5049 179.3896 101 K 3.8938 7.9867 118.4192 59.7908 32.3707 178.0588 102 D 4.4697 8.0785 119.0547 57.1623 40.7043 178.9654 103 V 3.5580 7.7203 118.8847 66.0186 31.3844 178.3351 104 K 4.0643 8.2056 116.5439 58.6374 31.9284 178.2995 105 A 4.4881 7.4379 119.3667 51.5859 19.1826 176.4129 106 N 4.6065 7.6234 117.7589 51.2385 39.1349 173.8664 107 P 4.2430 0.0000 0.0000 65.6849 31.4026 178.3853 108 K 4.0960 8.3437 117.0771 58.0762 31.3898 177.4857 109 L 4.6682 7.8951 118.4728 54.3359 41.9694 178.0931 110 E 4.0698 7.8596 120.9945 58.6195 29.4014 177.1842 111 K 4.2027 7.1611 118.5757 54.8280 31.7446 175.5962 *113 S 4.7555 8.2667 118.6117 58.0001 64.1286 175.5607 114 L 3.9708 8.0307 120.6900 57.4736 41.7282 177.6852 115 V 4.2015 7.6542 109.0184 61.3873 33.0264 176.2892 116 T 4.2640 7.6720 109.5221 62.5312 70.0496 175.0121 117 S 4.8336 8.0925 117.6894 57.2255 64.5644 174.2691 *119 R 4.1620 8.2364 117.9610 55.8040 31.2312 175.1862 120 L 4.4669 7.8039 121.0042 53.8335 42.5413 176.2077 121 S 4.5403 8.6221 121.2723 59.7348 64.8093 173.7474 122 V 4.8022 7.8158 119.7253 61.2470 33.6814 174.4867 123 Q 4.9705 9.1867 126.6398 53.3397 33.1091 173.1802 124 P 4.7734 0.0000 0.0000 62.5504 33.0140 175.6444 125 V 4.6048 7.7672 120.4578 61.3106 34.2717 175.4482 126 T 4.0721 9.1430 118.3451 61.0764 69.7208 175.0152 127 E 3.6255 8.7926 122.8374 59.6275 29.5875 178.9806 128 E 3.9387 8.0772 118.0099 59.3842 29.4991 179.0524 129 E 3.9918 8.3519 118.7461 59.3951 29.4973 178.7193 130 Y 4.1783 8.2644 119.8939 60.8480 38.8029 178.1902 131 L 3.8393 8.1515 120.1454 57.5599 41.4290 179.2407 132 E 3.8527 8.0510 118.5219 59.2642 29.7205 178.6859 133 V 3.6031 7.7328 117.1661 66.0674 31.8229 177.4081 134 C 4.2220 8.0997 116.4894 62.6816 27.9294 177.4795 135 R 4.2126 7.9532 118.1128 56.3352 29.6066 178.2917 *137 G 4.1350 8.0617 106.0965 44.8495 0.0000 174.8398 138 G 3.9855 8.3483 106.6296 46.3192 0.0000 173.9711 139 L 4.4309 7.9323 119.8727 52.2645 41.3633 176.4067 140 A 3.9889 8.0742 126.3997 53.7772 18.9430 178.0551 141 N 4.7955 7.4971 116.9704 50.4131 37.8784 173.1510 142 P 4.5879 0.0000 0.0000 61.0970 32.6772 175.3585 143 P 4.4443 0.0000 0.0000 62.9869 31.7102 176.2248 144 K 4.8899 8.4180 120.5068 54.7490 34.6837 176.3203 145 S 4.5480 8.2896 118.1504 56.7238 63.7402 172.8267 146 P 4.3686 0.0000 0.0000 62.8701 31.7699 176.2106 147 D 4.4702 8.5235 119.2690 54.7908 40.8214 176.3107 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 8.26 4.30 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 3 N 8.15 4.38 0.00 2.73 2.07 0.00 0.00 6.77 6.57 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 4 Y 8.08 4.44 0.00 2.71 2.32 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 5 W 8.46 5.49 0.00 3.00 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 L 8.86 5.28 0.00 1.83 1.47 0.97 0.89 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 7 Y 9.41 5.15 0.00 2.64 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 8 K 9.30 5.04 0.00 1.79 1.95 0.00 1.75 0.00 0.00 1.78 0.00 0.00 2.71 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.63 1.47 7.81 9 S 9.26 4.74 0.00 3.99 3.57 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 0.00 0.00 0.00 10 E 9.29 5.06 0.00 2.18 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.32 0.00 11 P 0.00 4.46 0.00 2.19 1.90 0.00 3.88 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 2.10 1.96 0.00 12 F 8.31 3.86 0.00 3.26 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 13 K 7.43 4.71 0.00 2.11 1.97 0.00 1.89 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.59 1.64 7.81 14 W 8.58 5.00 0.00 3.25 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 15 S 7.96 4.87 0.00 4.04 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 16 W 9.13 3.70 0.00 3.14 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 E 7.52 3.71 0.00 1.83 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 2.29 2.33 0.00 *19 Q 8.25 4.36 0.00 2.04 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.59 6.90 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 20 K 7.27 3.50 0.00 1.37 1.41 0.00 1.34 0.00 0.00 1.31 0.00 0.00 2.13 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.32 0.21 7.81 21 A 7.46 3.96 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 22 K 8.01 4.11 0.00 2.14 2.12 0.00 1.98 0.00 0.00 1.96 0.00 0.00 3.03 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.82 2.07 7.81 23 G 7.95 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 24 E 8.83 4.09 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.40 0.00 25 T 7.43 3.81 4.45 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 1.23 0.00 0.00 26 G 8.23 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 27 E 8.94 4.60 0.00 2.21 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 1.65 2.09 0.00 28 E 8.71 4.73 0.00 1.99 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.53 0.00 29 W 8.79 4.40 0.00 3.39 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 30 T 7.04 4.17 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 31 G 8.54 3.63 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 0.00 0.00 0.00 32 V 7.16 3.58 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 0.80 0.00 0.00 0.96 0.00 0.00 33 R 7.80 2.55 0.00 1.31 1.12 0.00 2.21 0.00 0.00 2.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.06 0.00 34 N 7.44 4.84 0.00 2.61 2.57 0.00 0.00 7.06 7.56 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 35 Y 8.50 4.42 0.00 3.24 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 36 Q 8.40 4.07 0.00 2.26 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.49 2.56 0.00 37 A 8.46 4.16 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 38 R 8.11 4.07 0.00 2.17 2.42 0.00 3.45 0.00 0.00 3.59 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.06 0.00 39 N 8.54 4.59 0.00 2.91 2.92 0.00 0.00 7.13 7.72 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 40 N 8.14 4.47 0.00 2.90 2.67 0.00 0.00 6.90 7.27 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 *42 R 8.29 4.61 0.00 1.99 2.03 0.00 3.27 0.00 0.00 3.90 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.79 0.00 43 A 7.18 4.27 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 *45 K 7.38 4.12 0.00 2.04 1.79 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.51 7.81 46 I 8.09 4.05 1.87 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 1.35 0.74 0.92 0.00 0.00 47 G 8.89 4.01 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 0.00 0.00 0.00 48 D 8.01 4.39 0.00 2.90 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 49 K 9.00 5.04 0.00 1.54 1.82 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.53 1.67 7.81 50 G 8.90 4.67 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 51 F 9.27 5.71 0.00 3.13 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 52 F 9.38 5.13 0.00 3.10 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 53 Y 8.81 5.22 0.00 3.06 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 H 8.63 5.10 0.00 3.13 3.33 0.00 5.66 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 S 8.86 4.78 0.00 4.05 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 0.00 56 N 9.30 4.56 0.00 2.92 3.03 0.00 0.00 6.81 7.65 0.00 0.00 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 E 7.80 4.67 0.00 1.98 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 2.21 2.27 0.00 58 G 8.53 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 59 L 7.90 3.41 0.00 1.90 1.80 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 60 D 6.65 5.13 0.00 2.72 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 61 V 8.91 4.36 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 0.45 0.00 0.00 0.79 0.00 0.00 62 V 8.11 4.05 1.72 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 0.56 0.00 0.00 0.63 0.00 0.00 63 G 6.92 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 0.00 0.00 0.00 64 I 8.52 5.34 2.03 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.98 1.16 0.00 0.00 65 V 9.13 5.31 2.16 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 1.22 0.00 0.00 0.86 0.00 0.00 66 E 9.03 5.31 0.00 2.00 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 2.37 2.26 0.00 67 V 8.53 4.24 2.25 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 0.96 0.00 0.00 0.91 0.00 0.00 68 C 9.03 5.02 0.00 2.97 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 A 7.56 4.64 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 70 L 8.63 4.50 0.00 1.56 1.63 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 71 S 8.63 4.35 0.00 3.77 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 72 H 9.10 5.20 0.00 3.15 3.37 0.00 5.29 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 73 P 0.00 4.53 0.00 2.01 2.10 0.00 3.75 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 74 D 9.09 4.57 0.00 2.78 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 S 9.40 4.25 0.00 3.98 4.01 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 76 T 8.48 4.27 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 77 A 8.39 4.47 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 78 E 9.16 3.83 0.00 2.15 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 2.23 2.39 0.00 79 G 7.95 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 D 8.03 4.64 0.00 3.16 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 81 L 8.28 4.54 0.00 1.57 1.55 0.89 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 82 K 7.71 4.03 0.00 1.43 1.62 0.00 1.25 0.00 0.00 1.48 0.00 0.00 2.82 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.89 0.21 7.81 83 W 7.75 5.32 0.00 3.25 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 84 D 8.76 5.61 0.00 2.66 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 85 C 8.97 4.71 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 86 V 8.24 4.74 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.94 0.00 0.00 87 D 8.61 5.61 0.00 2.72 2.57 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 0.00 0.00 0.00 88 I 8.75 5.10 1.53 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.23 0.26 0.00 0.00 89 R 8.87 5.08 0.00 2.00 2.03 0.00 2.79 0.00 0.00 3.30 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 90 A 8.67 4.51 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 V 8.84 4.40 2.37 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 0.93 0.00 0.00 1.06 0.00 0.00 92 C 7.83 4.96 0.00 3.09 3.06 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 0.00 0.00 0.00 93 D 9.00 5.44 0.00 2.82 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *95 P 0.00 4.41 0.00 2.25 2.14 0.00 3.75 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 96 Q 7.98 4.48 0.00 1.95 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.85 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 97 P 0.00 4.24 0.00 1.88 2.01 0.00 3.63 0.00 0.00 3.62 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 98 V 8.25 4.17 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 0.90 0.00 0.00 0.87 0.00 0.00 99 S 8.55 4.73 0.00 4.05 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 0.00 100 L 8.74 4.03 0.00 2.11 1.80 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 101 K 7.99 3.89 0.00 1.80 1.83 0.00 1.84 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.54 7.81 102 D 8.08 4.47 0.00 2.87 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 0.00 103 V 7.72 3.56 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 0.99 0.00 0.00 0.90 0.00 0.00 104 K 8.21 4.06 0.00 1.90 1.86 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.63 7.81 105 A 7.44 4.49 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 0.00 106 N 7.62 4.61 0.00 2.86 2.80 0.00 0.00 6.80 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 0.00 107 P 0.00 4.24 0.00 2.24 2.30 0.00 3.73 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.99 0.00 108 K 8.34 4.10 0.00 1.87 1.90 0.00 1.65 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.40 7.81 109 L 7.90 4.67 0.00 1.89 1.62 0.88 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 110 E 7.86 4.07 0.00 1.91 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.45 0.00 111 K 7.16 4.20 0.00 1.92 1.78 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.34 7.81 *113 S 8.27 4.76 0.00 3.88 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 0.00 114 L 8.03 3.97 0.00 1.49 1.60 0.08 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 115 V 7.65 4.20 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 0.78 0.00 0.00 0.93 0.00 0.00 116 T 7.67 4.26 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 1.20 0.00 0.00 117 S 8.09 4.83 0.00 3.94 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 *119 R 8.24 4.16 0.00 1.84 2.01 0.00 3.20 0.00 0.00 3.17 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 120 L 7.80 4.47 0.00 1.60 1.60 0.97 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 121 S 8.62 4.54 0.00 4.05 4.14 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 0.00 122 V 7.82 4.80 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 0.59 0.00 0.00 1.15 0.00 0.00 123 Q 9.19 4.97 0.00 1.98 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.67 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 124 P 0.00 4.77 0.00 1.91 2.03 0.00 3.77 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.99 0.00 125 V 7.77 4.60 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 0.95 0.00 0.00 1.05 0.00 0.00 126 T 9.14 4.07 4.21 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 1.21 0.00 0.00 127 E 8.79 3.63 0.00 2.08 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 128 E 8.08 3.94 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.33 0.00 129 E 8.35 3.99 0.00 2.21 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 2.34 2.31 0.00 130 Y 8.26 4.18 0.00 2.58 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 0.00 131 L 8.15 3.84 0.00 1.68 1.66 0.90 1.13 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 0.00 132 E 8.05 3.85 0.00 2.00 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 0.00 2.30 2.32 0.00 133 V 7.73 3.60 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 0.17 0.00 0.00 0.91 0.00 0.00 134 C 8.10 4.22 0.00 2.99 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 0.00 135 R 7.95 4.21 0.00 1.97 1.90 0.00 3.13 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.74 0.00 *137 G 8.06 4.13 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 0.00 0.00 0.00 138 G 8.35 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 L 7.93 4.43 0.00 1.64 1.60 0.94 0.74 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 0.00 140 A 8.07 3.99 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 0.00 141 N 7.50 4.80 0.00 2.73 2.80 0.00 0.00 6.91 8.02 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 0.00 142 P 0.00 4.59 0.00 2.22 2.00 0.00 3.80 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.84 0.00 143 P 0.00 4.44 0.00 2.26 2.16 0.00 3.82 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.22 0.00 144 K 8.42 4.89 0.00 1.78 1.81 0.00 1.89 0.00 0.00 1.90 0.00 0.00 3.08 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.56 1.44 7.81 145 S 8.29 4.55 0.00 3.00 3.37 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 0.00 146 P 0.00 4.37 0.00 2.15 2.03 0.00 3.78 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 2.01 2.18 0.00 147 D 8.52 4.47 0.00 2.69 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.