NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5237 8.1633 120.2800 54.5739 33.2197 172.4902 2 K 3.8422 8.1154 120.8848 56.4334 33.3574 170.7220 3 V 4.9009 9.4263 118.8577 59.7954 37.1367 173.8535 4 I 5.1834 8.6454 125.3578 59.2899 38.6084 176.2197 5 L 4.5482 8.3044 127.0867 54.0585 44.2766 176.7785 6 L 4.7097 8.2905 121.9435 54.7447 43.8463 178.3925 7 E 4.1125 9.3738 131.8658 56.2668 28.1361 173.7755 8 P 4.1999 0.0000 0.0000 62.8817 31.9751 175.8983 9 L 4.7002 8.0206 118.4945 52.8008 45.3507 174.9084 10 E 4.0348 8.6737 125.1711 57.9672 29.9444 176.7445 11 N 4.6935 8.7498 122.2770 53.3277 39.5841 174.2251 12 L 4.7174 7.9186 117.5068 52.5984 44.9515 176.7358 13 G 4.6770 8.7158 111.2675 44.6136 0.0000 171.9009 14 D 4.5532 8.5176 118.2007 53.2313 41.8591 175.6668 15 V 4.0655 7.6273 121.6659 61.7375 32.4787 175.7138 16 G 3.9845 7.9614 106.6595 47.2299 0.0000 173.1716 17 Q 4.5323 7.4445 117.5751 53.6585 33.0126 176.0294 18 V 4.5929 8.0663 119.9988 60.2714 29.4927 175.8695 19 V 4.1764 7.9647 122.9898 60.7865 33.9806 176.2564 20 D 5.2120 8.5221 121.7231 53.5366 42.6329 176.3339 21 V 4.4282 7.8495 116.4450 60.5989 35.9715 174.1870 22 K 4.6260 8.7400 122.0789 55.1097 34.5438 174.8756 23 P 4.3449 0.0000 0.0000 65.7614 31.2197 178.6859 24 G 3.6428 8.1486 103.6897 47.9891 0.0000 174.4842 25 Y 4.4832 8.2729 121.9541 60.5869 38.4479 178.2335 26 A 3.8534 8.1643 121.1050 55.4483 18.4098 179.9356 27 R 3.9272 8.3004 115.4417 58.5222 30.2169 178.0401 28 N 4.9784 8.4249 113.5264 53.7729 39.4700 173.9168 29 Y 4.7256 7.9064 118.8094 57.6904 41.7577 177.1204 30 L 3.4911 8.1907 116.8751 57.2894 41.6983 179.9305 31 L 3.7897 6.3641 121.7366 57.7944 42.1876 177.1469 32 P 4.2382 0.0000 0.0000 65.9090 31.4621 178.2872 33 R 4.1714 7.6450 112.8834 55.9059 30.1115 177.0325 34 G 3.8097 7.7017 106.8117 46.6841 0.0000 174.3963 35 L 4.2271 7.6707 116.6114 53.7497 41.8522 175.6350 36 A 4.4089 7.0574 119.4147 52.1557 22.0878 175.2194 37 V 4.4659 8.4112 117.6444 61.5006 35.7407 173.8349 38 L 4.4929 8.3705 123.3587 53.7360 42.3565 177.8897 39 A 4.4968 8.2789 126.3381 52.0710 17.2879 178.3213 40 T 3.9705 8.0035 111.3570 62.5921 70.0429 175.1257 41 E 3.9428 9.0016 125.6462 59.6974 29.7379 179.3380 42 S 4.1619 8.1580 111.5868 60.6339 62.9256 174.2082 43 N 4.7857 9.3474 117.2763 54.5038 40.1420 176.3814 44 L 3.9514 7.9720 118.1734 57.8740 41.9257 178.5374 45 K 4.2284 8.4511 118.4795 59.1701 33.0321 178.3047 46 A 4.2478 7.7014 117.9921 52.7562 18.4048 178.1980 47 L 4.1665 7.7311 120.1082 57.8167 42.5879 178.4926 48 E 3.4261 7.9173 118.1316 59.1277 29.0573 179.0208 49 A 4.1185 7.9681 120.0429 54.3740 18.3297 179.1763 50 R 4.1078 8.5375 116.8330 59.0022 30.6131 177.6303 51 I 3.8943 7.8229 120.7506 62.0319 36.8440 177.6317 52 R 3.8109 8.0395 117.7303 59.4863 29.8936 177.6611 53 A 4.5891 7.3100 121.4165 51.3891 18.6091 176.4677 54 Q 4.5507 7.6561 122.9457 57.3286 35.5713 175.8889 55 A 4.2582 9.0134 121.0583 53.8580 19.3176 177.8179 56 K 4.4039 8.1256 114.1737 56.4091 32.2866 176.2700 57 R 4.6582 7.6755 117.0895 56.8511 30.5009 175.1781 58 L 4.6049 7.8849 116.2645 54.3695 43.7551 176.0633 59 A 4.3217 7.8041 120.8940 53.5862 18.5247 177.8259 60 E 4.4979 8.2043 119.7215 58.8992 32.3642 178.7389 61 R 4.1966 7.9093 114.7962 56.9947 31.2250 177.3640 62 K 4.0085 7.7176 117.7938 57.5485 32.6017 176.8957 63 A 4.7359 7.8784 117.5994 51.8800 19.7215 176.1490 64 E 4.5884 7.8154 113.4026 56.0521 32.1648 177.0085 65 A 4.2432 7.7587 120.0480 53.3182 19.0106 178.3243 66 E 4.1365 8.0623 114.4508 59.0367 30.4421 178.9003 67 R 4.1305 7.7104 116.6673 57.4474 30.3096 176.4918 68 L 4.6226 7.2348 121.2894 53.7131 41.7004 175.6768 69 K 4.2852 7.2896 119.4633 56.9799 36.8850 175.0417 70 E 4.2792 7.7893 116.5777 57.6973 29.8816 177.2502 71 I 4.3452 7.6620 109.4408 61.3027 39.9007 176.2227 72 L 4.6763 7.6480 119.9096 54.4737 41.9294 175.6837 73 E 4.4236 8.1680 118.2747 57.6275 31.9917 176.9018 74 N 4.9972 7.7784 113.7834 51.3421 37.6220 175.3214 75 L 4.5524 7.5092 119.4049 54.1181 44.7859 175.4717 76 T 3.9325 8.5807 116.4069 62.2504 68.3489 171.8862 77 L 4.1751 7.1766 122.0767 52.9240 43.9454 172.3850 78 T 4.0550 7.7998 126.1695 62.7350 67.9533 172.3060 79 I 3.9672 7.6551 127.2638 60.2079 36.3320 175.7815 80 P 4.5294 0.0000 0.0000 62.8913 30.3063 177.1463 81 V 4.2403 8.0762 120.6568 60.6688 32.6627 176.3533 82 R 4.4013 7.4975 121.6154 54.5790 28.5966 177.5939 83 A 4.6770 8.4356 118.5207 52.5716 23.2391 176.9367 84 G 4.1740 7.8132 110.9409 45.9959 0.0000 176.2952 85 E 4.1996 8.7122 124.5341 57.0882 29.9341 175.8987 86 T 4.5516 7.0164 106.4443 60.9898 68.8187 171.3087 87 K 4.7338 8.8936 130.6019 56.1499 35.1605 175.6254 88 I 2.9338 7.7235 114.5106 62.4006 37.4880 172.6337 89 Y 4.4364 8.5776 124.5055 58.1805 39.0354 176.4608 90 G 3.8810 8.9224 112.1919 44.6098 0.0000 175.0451 91 S 3.5295 8.1130 111.6626 57.8168 61.4013 170.7959 92 V 2.9566 7.4708 113.0867 64.6122 29.3766 171.5707 93 T 4.8371 7.5426 118.6811 59.2565 71.1700 174.4417 94 A 3.9777 8.6340 126.4944 55.5267 18.7593 180.2788 95 K 3.9679 8.1493 114.5978 60.0364 32.2923 179.9660 96 D 4.7746 7.7508 113.3373 54.9231 39.5082 177.3553 97 I 4.4191 8.5984 120.5999 62.5952 40.4970 177.3881 98 A 4.2282 8.0740 121.5775 53.7061 18.8080 178.3282 99 E 4.0879 8.4088 113.4694 58.6822 29.6924 178.0604 100 A 4.7727 7.1092 122.1500 51.2296 19.4568 177.0185 101 L 4.2064 8.0800 123.8415 57.9035 42.9361 177.1749 102 S 4.6771 7.8367 111.1857 58.4898 65.2284 175.8631 103 R 3.8174 8.4001 120.6647 59.4959 29.6655 176.9103 104 Q 4.2345 8.1319 116.5991 59.3590 30.5746 176.5656 105 H 4.9213 8.4369 111.2884 55.1370 30.9993 176.3525 106 G 5.0039 8.6617 119.0134 46.5321 0.0000 171.3055 107 V 4.4901 7.5762 119.7232 64.7644 37.4222 174.5434 108 T 4.4793 7.4096 112.1303 63.0648 72.0236 171.9790 109 I 4.6242 7.8128 122.1659 60.2569 41.1740 173.3423 110 D 4.7043 8.1679 120.9910 53.1237 43.8847 172.6503 111 P 4.7900 0.0000 0.0000 64.4962 33.1388 176.6031 112 K 4.0050 8.0439 117.1045 58.9524 32.1226 177.2939 113 R 3.8881 6.6780 122.2495 56.1981 28.9500 175.1041 114 L 4.7139 7.7423 120.0090 53.4356 45.7393 177.7146 115 A 4.3916 8.4352 129.4607 51.9396 17.4316 178.1658 116 L 4.3010 8.5690 125.5847 55.0486 40.3544 176.1328 117 E 4.0103 8.3079 122.8219 58.1151 30.0389 177.0368 118 K 4.5203 7.4699 119.0094 53.2252 35.3200 173.8105 119 P 4.0937 0.0000 0.0000 63.4183 31.0955 175.5983 120 I 3.4148 8.0519 125.5861 64.9445 37.3111 177.9185 121 K 3.8293 7.3796 118.1896 56.4030 30.6109 174.6803 122 E 4.7855 7.8607 116.2926 55.5317 32.1645 174.7829 123 L 3.9187 8.6876 129.0174 54.5970 43.2191 176.6971 124 G 4.1952 7.2988 108.2629 44.2349 0.0000 172.2569 125 E 4.8292 8.0022 119.2830 54.9392 29.6989 174.9995 126 Y 4.5707 8.7573 120.3790 57.2785 40.4038 175.1802 127 V 5.2095 8.0554 121.3041 62.7934 32.6063 174.2221 128 L 4.7063 8.0627 129.5872 54.0916 45.4049 173.9290 129 T 5.1496 8.4091 116.6765 63.2733 73.1169 170.9107 130 Y 5.1204 7.7329 119.0360 57.7884 41.7845 173.4530 131 K 4.5576 8.0019 116.1990 55.8564 36.2002 172.8861 132 P 4.8455 0.0000 0.0000 64.1840 33.7676 177.3671 133 H 4.6849 7.9255 120.1991 54.1276 27.8614 174.7983 134 P 4.2682 0.0000 0.0000 63.5594 31.3183 175.7142 135 E 4.1382 8.9316 123.8421 56.8918 29.5895 177.2793 136 V 4.2942 8.5987 125.3002 59.2287 32.6682 172.6364 137 P 5.4061 0.0000 0.0000 62.4778 31.6841 176.0172 138 I 4.2735 8.3325 126.2710 60.3382 38.9310 175.5442 139 Q 4.4659 8.6523 124.2107 55.7563 29.4289 174.0171 140 L 4.7999 8.7667 127.2470 53.1836 44.7618 175.3121 141 K 5.3697 8.5734 125.4782 53.7852 33.5901 175.2118 142 V 4.3167 8.3818 127.4626 62.4876 29.2098 175.0236 143 S 4.8279 8.0889 119.4419 57.8413 64.6564 173.9728 144 V 4.2436 8.2214 121.8336 61.6244 33.9025 176.3055 *145 V 3.9330 8.1152 118.1858 60.9795 32.1670 174.6528 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.16 4.52 0.00 1.97 2.27 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.54 0.00 2 K 8.12 3.84 0.00 1.75 1.75 0.00 1.64 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.53 1.48 7.81 3 V 9.43 4.90 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 0.80 0.00 0.00 0.98 0.00 0.00 4 I 8.65 5.18 1.85 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 1.23 0.22 0.90 0.00 0.00 5 L 8.30 4.55 0.00 1.59 1.60 1.04 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.29 4.71 0.00 1.61 0.72 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 7 E 9.37 4.11 0.00 1.91 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 2.30 2.36 0.00 8 P 0.00 4.20 0.00 2.17 2.21 0.00 3.72 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 2.01 2.17 0.00 9 L 8.02 4.70 0.00 1.78 1.52 0.97 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.67 4.03 0.00 1.98 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 2.32 2.30 0.00 11 N 8.75 4.69 0.00 2.88 3.10 0.00 0.00 6.93 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 12 L 7.92 4.72 0.00 1.86 1.50 0.91 0.84 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 13 G 8.72 4.68 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 0.00 0.00 0.00 14 D 8.52 4.55 0.00 2.65 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 15 V 7.63 4.07 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 0.74 0.00 0.00 0.92 0.00 0.00 16 G 7.96 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 17 Q 7.44 4.53 0.00 2.26 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 7.15 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 18 V 8.07 4.59 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 0.76 0.00 0.00 0.93 0.00 0.00 19 V 7.96 4.18 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 0.70 0.00 0.00 0.94 0.00 0.00 20 D 8.52 5.21 0.00 2.69 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 21 V 7.85 4.43 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.97 0.00 0.00 22 K 8.74 4.63 0.00 1.96 1.78 0.00 1.64 0.00 0.00 1.86 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.51 7.81 23 P 0.00 4.34 0.00 2.18 2.15 0.00 3.64 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.22 0.00 24 G 8.15 3.64 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 0.00 0.00 0.00 25 Y 8.27 4.48 0.00 2.97 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 26 A 8.16 3.85 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 27 R 8.30 3.93 0.00 1.81 2.04 0.00 3.15 0.00 0.00 3.24 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.86 0.00 28 N 8.42 4.98 0.00 2.88 2.91 0.00 0.00 6.70 7.57 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 29 Y 7.91 4.73 0.00 2.98 3.28 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 30 L 8.19 3.49 0.00 1.55 1.36 0.51 0.96 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 31 L 6.36 3.79 0.00 1.79 1.69 0.95 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.24 0.00 2.11 2.13 0.00 3.81 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 2.17 2.27 0.00 33 R 7.65 4.17 0.00 1.49 1.79 0.00 2.68 0.00 0.00 3.07 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.48 0.00 34 G 7.70 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 0.00 0.00 0.00 35 L 7.67 4.23 0.00 1.48 1.61 0.77 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 36 A 7.06 4.41 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 V 8.41 4.47 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 0.72 0.00 0.00 0.90 0.00 0.00 38 L 8.37 4.49 0.00 1.56 1.57 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.28 4.50 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 40 T 8.00 3.97 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 41 E 9.00 3.94 0.00 2.05 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 2.41 2.35 0.00 42 S 8.16 4.16 0.00 3.82 3.91 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 43 N 9.35 4.79 0.00 2.57 2.79 0.00 0.00 6.46 6.62 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 44 L 7.97 3.95 0.00 1.81 1.93 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.45 4.23 0.00 1.99 2.06 0.00 1.36 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.59 1.44 7.81 46 A 7.70 4.25 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 47 L 7.73 4.17 0.00 1.94 1.77 0.91 0.73 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 48 E 7.92 3.43 0.00 2.22 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 2.38 0.00 49 A 7.97 4.12 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 50 R 8.54 4.11 0.00 1.83 1.99 0.00 3.16 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.92 0.00 51 I 7.82 3.89 1.98 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 1.88 1.19 0.91 0.00 0.00 52 R 8.04 3.81 0.00 2.09 2.23 0.00 2.81 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 1.65 1.85 0.00 53 A 7.31 4.59 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 54 Q 7.66 4.55 0.00 2.38 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.92 0.00 0.00 0.00 0.00 0.00 2.18 2.23 0.00 55 A 9.01 4.26 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 56 K 8.13 4.40 0.00 1.70 1.97 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.36 7.81 57 R 7.68 4.66 0.00 1.76 1.89 0.00 3.23 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 58 L 7.88 4.60 0.00 1.93 1.58 0.94 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 59 A 7.80 4.32 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 60 E 8.20 4.50 0.00 1.94 1.92 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 2.27 2.22 0.00 61 R 7.91 4.20 0.00 1.68 1.91 0.00 3.35 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 62 K 7.72 4.01 0.00 1.75 2.00 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.54 1.60 7.81 63 A 7.88 4.74 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 64 E 7.82 4.59 0.00 2.11 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 2.50 2.22 0.00 65 A 7.76 4.24 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 66 E 8.06 4.14 0.00 2.17 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.32 0.00 67 R 7.71 4.13 0.00 1.99 1.99 0.00 3.17 0.00 0.00 3.08 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.63 0.00 68 L 7.23 4.62 0.00 1.54 1.68 0.78 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 69 K 7.29 4.29 0.00 1.66 1.96 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.22 1.55 7.81 70 E 7.79 4.28 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 2.32 2.22 0.00 71 I 7.66 4.35 1.78 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.60 0.87 0.00 0.00 72 L 7.65 4.68 0.00 1.53 1.61 0.94 0.73 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 73 E 8.17 4.42 0.00 1.83 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 2.15 2.29 0.00 74 N 7.78 5.00 0.00 2.83 2.85 0.00 0.00 6.07 7.79 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 75 L 7.51 4.55 0.00 1.50 1.63 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 76 T 8.58 3.93 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 1.22 0.00 0.00 77 L 7.18 4.18 0.00 1.45 1.66 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 78 T 7.80 4.05 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 1.22 0.00 0.00 79 I 7.66 3.97 1.89 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 1.36 1.13 1.00 0.00 0.00 80 P 0.00 4.53 0.00 2.15 2.13 0.00 3.70 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 81 V 8.08 4.24 2.34 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 0.85 0.00 0.00 0.92 0.00 0.00 82 R 7.50 4.40 0.00 2.20 1.64 0.00 3.18 0.00 0.00 3.09 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 83 A 8.44 4.68 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 84 G 7.81 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 85 E 8.71 4.20 0.00 1.92 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 2.25 2.35 0.00 86 T 7.02 4.55 4.38 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 1.27 0.00 0.00 87 K 8.89 4.73 0.00 1.71 1.77 0.00 1.82 0.00 0.00 1.60 0.00 0.00 2.80 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.31 1.20 7.81 88 I 7.72 2.93 1.88 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.57 0.87 0.00 0.00 89 Y 8.58 4.44 0.00 3.39 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 90 G 8.92 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 0.00 0.00 0.00 91 S 8.11 3.53 0.00 4.03 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 92 V 7.47 2.96 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 0.69 0.00 0.00 0.90 0.00 0.00 93 T 7.54 4.84 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 1.25 0.00 0.00 94 A 8.63 3.98 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 95 K 8.15 3.97 0.00 1.83 1.86 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.46 7.81 96 D 7.75 4.77 0.00 2.74 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 97 I 8.60 4.42 2.04 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 1.22 1.19 0.93 0.00 0.00 98 A 8.07 4.23 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 99 E 8.41 4.09 0.00 2.09 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.26 0.00 100 A 7.11 4.77 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 8.08 4.21 0.00 1.62 1.72 0.89 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 102 S 7.84 4.68 0.00 3.95 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 R 8.40 3.82 0.00 1.79 2.02 0.00 3.27 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 104 Q 8.13 4.23 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.62 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 105 H 8.44 4.92 0.00 3.08 2.56 0.00 6.02 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 G 8.66 5.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.58 4.49 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 0.80 0.00 0.00 0.93 0.00 0.00 108 T 7.41 4.48 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 1.22 0.00 0.00 109 I 7.81 4.62 1.88 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 1.33 0.72 0.93 0.00 0.00 110 D 8.17 4.70 0.00 2.91 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 0.00 111 P 0.00 4.79 0.00 2.19 2.13 0.00 3.85 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 1.88 1.95 0.00 112 K 8.04 4.01 0.00 1.71 1.87 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.43 1.45 7.81 113 R 6.68 3.89 0.00 0.98 1.12 0.00 2.21 0.00 0.00 2.76 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.47 0.00 114 L 7.74 4.71 0.00 1.77 1.54 0.96 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 115 A 8.44 4.39 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 L 8.57 4.30 0.00 1.48 1.62 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.31 4.01 0.00 2.02 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 2.33 2.33 0.00 118 K 7.47 4.52 0.00 1.66 1.63 0.00 1.82 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.30 1.38 7.81 119 P 0.00 4.09 0.00 2.18 2.10 0.00 3.86 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.02 0.00 120 I 8.05 3.41 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 0.54 0.25 0.30 0.00 0.00 121 K 7.38 3.83 0.00 1.90 1.99 0.00 1.85 0.00 0.00 1.78 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.49 7.81 122 E 7.86 4.79 0.00 2.03 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 2.08 2.13 0.00 123 L 8.69 3.92 0.00 1.69 1.66 1.03 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 124 G 7.30 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 0.00 0.00 0.00 125 E 8.00 4.83 0.00 1.82 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 2.31 2.25 0.00 126 Y 8.76 4.57 0.00 3.01 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 V 8.06 5.21 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 1.07 0.00 0.00 0.96 0.00 0.00 128 L 8.06 4.71 0.00 1.67 1.62 1.05 0.77 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 0.00 129 T 8.41 5.15 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 1.26 0.00 0.00 130 Y 7.73 5.12 0.00 2.99 2.87 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 0.00 131 K 8.00 4.56 0.00 1.51 1.61 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.26 1.27 7.81 132 P 0.00 4.85 0.00 2.17 2.13 0.00 3.86 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 133 H 7.93 4.68 0.00 3.15 3.09 0.00 5.90 0.00 0.00 0.00 0.00 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 4.27 0.00 2.08 2.04 0.00 3.79 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 2.07 2.13 0.00 135 E 8.93 4.14 0.00 1.86 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 2.34 2.55 0.00 136 V 8.60 4.29 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 0.89 0.00 0.00 0.97 0.00 0.00 137 P 0.00 5.41 0.00 2.09 2.13 0.00 3.40 0.00 0.00 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.86 0.00 138 I 8.33 4.27 1.88 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.83 0.91 0.00 0.00 139 Q 8.65 4.47 0.00 2.14 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.88 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 140 L 8.77 4.80 0.00 1.79 1.78 0.92 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 141 K 8.57 5.37 0.00 1.83 1.82 0.00 2.01 0.00 0.00 1.72 0.00 0.00 2.80 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.83 1.27 7.81 142 V 8.38 4.32 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 0.94 0.00 0.00 0.81 0.00 0.00 143 S 8.09 4.83 0.00 3.94 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 0.00 144 V 8.22 4.24 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.97 0.00 0.00 *145 V 8.12 3.93 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 0.72 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.