NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.1400 8.1744 115.2420 61.9102 68.3478 173.2131 4 E 4.1859 8.4807 130.0427 53.1150 29.3198 173.3053 5 N 4.3018 9.3006 125.5005 53.3478 40.9934 172.7205 6 P 4.2357 0.0000 0.0000 65.4835 31.4744 178.9873 7 V 3.5725 7.9876 117.2613 66.0431 31.5115 178.1424 8 L 3.9936 8.1194 118.2916 57.6546 41.3966 179.1149 9 Q 3.9064 8.3858 119.4931 59.1645 29.0786 178.1171 10 A 3.9756 8.1677 121.8317 55.3503 18.1898 179.5946 11 I 3.6485 7.6625 117.1144 64.6258 37.2519 178.3616 12 R 4.0616 7.9023 118.4206 58.7623 30.0518 177.6416 13 Q 4.3778 8.1004 116.0160 55.1505 29.4387 176.0688 14 R 3.7623 7.3775 121.2911 56.4517 30.4432 175.7532 15 R 4.6809 8.2391 123.1361 54.0305 33.4937 175.5728 16 S 4.4383 8.5784 116.3317 58.6487 62.6813 173.9662 17 I 4.4764 8.5263 127.8147 59.8621 38.1314 176.0880 18 R 4.5027 9.2036 122.9554 54.8144 31.0945 175.7074 19 R 4.2012 6.8029 118.5079 54.7471 33.8283 173.2447 20 Y 5.4268 8.1566 122.2109 56.2641 42.5253 175.0515 21 T 4.3778 8.9394 112.7063 61.1594 70.2371 174.0273 22 D 4.6644 8.6243 118.8124 54.6145 41.3531 175.8531 23 E 4.1675 7.8167 117.2772 56.2046 30.1045 176.7337 24 A 4.1002 8.4276 125.2451 52.3000 19.1134 177.0082 25 V 4.3239 8.0592 120.9305 60.8820 33.2542 176.6658 26 S 4.3937 8.4174 122.3147 58.2544 65.0229 174.8540 27 D 4.3615 8.5808 122.9896 57.5547 40.6032 178.7027 28 E 3.8918 8.1711 119.2189 59.0778 29.6890 178.5675 29 A 3.9593 8.1173 120.8929 55.1443 18.4044 179.7429 30 V 3.4992 7.6705 116.5357 66.0795 31.5255 178.2236 31 R 3.8350 8.2783 118.7263 59.4088 29.9575 178.4846 32 L 3.9897 8.0417 118.7925 57.7677 41.5846 179.5569 33 I 3.6617 7.8248 119.6734 64.3677 37.0911 178.3965 34 L 3.6403 7.9593 119.8177 57.7931 41.1690 179.3791 35 E 3.9986 8.5253 118.5919 59.4066 29.1787 179.2411 36 A 4.1718 7.9043 119.7671 55.1278 18.8009 179.5480 37 G 3.6408 7.8709 104.3975 47.9861 0.0000 175.9747 38 I 3.9016 7.4745 114.1550 62.6827 37.6913 177.2756 39 W 4.4224 7.6379 118.3160 55.8117 29.4119 176.3660 40 A 4.2517 7.2561 122.6832 51.3340 18.4204 175.8240 41 P 4.6984 0.0000 0.0000 62.4154 32.7901 175.6398 42 S 4.7123 8.1833 111.6586 56.4435 65.9230 174.9863 43 G 4.2647 8.9999 111.2099 47.7956 0.0000 174.7091 44 L 4.3909 7.7480 118.7587 53.4641 42.0840 176.1796 45 N 4.1307 7.9618 114.8707 54.4276 37.7846 175.1434 46 N 4.3271 7.5331 112.9800 53.4005 38.1852 174.8083 47 Q 3.2976 8.0118 116.9999 56.5410 26.4376 171.8416 48 P 4.5017 0.0000 0.0000 64.7507 33.2799 177.7837 49 C 4.7440 7.9818 118.4834 59.7632 28.8544 173.1871 50 R 4.6263 8.7107 121.1512 54.3394 33.9547 174.4344 51 F 5.5342 8.7114 118.9188 55.7999 43.1632 174.2684 52 L 4.7736 9.0797 123.3694 53.5780 45.3543 174.9951 53 V 4.6170 8.6045 126.5038 61.9421 32.9848 174.8989 54 I 4.5661 9.2858 128.8975 59.6711 40.1805 175.3148 55 R 4.6876 8.5817 125.8049 54.9378 31.5223 177.4231 56 A 3.9791 8.5264 124.9208 55.6746 18.3235 178.8962 57 D 4.5573 7.9445 111.7336 54.1844 40.1808 175.7392 58 D 4.5861 8.3041 122.0985 53.1261 42.0063 175.0648 59 P 4.2611 0.0000 0.0000 66.0341 31.1838 178.8537 60 R 4.0241 8.6999 116.5539 58.7078 29.7514 178.7292 61 C 4.1658 8.1421 117.3829 62.9860 28.1444 175.7110 62 D 4.3865 7.9208 120.5569 57.3030 40.1283 178.9730 63 I 3.7768 7.5578 119.0186 64.2872 37.4962 177.8621 64 L 4.1784 8.3017 119.9463 57.9586 41.3943 179.3735 65 A 4.0449 8.3866 120.6119 55.2866 18.1046 179.2953 66 A 4.1507 8.1638 117.2996 54.1409 18.4064 177.8383 67 H 4.8639 7.9771 113.6528 55.3104 29.4033 173.7623 68 T 4.9015 7.5830 112.6585 60.5074 70.3158 174.3278 69 R 3.9496 8.8592 125.4100 58.6919 30.4989 177.3905 70 Y 4.7263 7.8362 116.7951 57.6667 38.7948 177.9986 71 G 3.7868 8.1960 109.0910 48.2761 0.0000 174.8849 72 H 4.3034 8.2806 116.8578 58.5608 28.6330 177.8083 73 I 3.7918 7.5016 122.0483 64.1344 36.8859 178.1459 74 V 3.6571 7.5599 117.7680 66.3939 31.4317 178.1329 75 R 4.2230 8.3612 116.6308 58.6689 29.9654 178.6063 76 G 3.9230 7.8566 103.6525 45.4347 0.0000 174.2279 77 A 3.7960 7.3031 123.2668 52.0976 19.2451 177.3422 78 K 4.4305 8.3541 119.7048 58.1515 33.8422 177.5495 79 V 4.9701 7.3532 117.7456 60.0633 35.1773 174.1579 80 I 4.9719 9.0361 123.6852 59.6587 40.7322 174.3026 81 I 4.7721 8.8187 128.2062 59.6672 39.3587 174.6400 82 L 4.9312 9.2214 128.3271 53.6081 43.6032 175.9054 83 V 4.6904 8.6740 123.4706 61.1090 34.1734 174.3937 84 F 5.4050 9.0505 125.2871 55.8027 43.9959 173.3157 85 L 5.0843 8.8632 120.2255 53.1148 44.2231 175.5649 86 D 4.8062 9.0868 124.4451 53.5522 41.3509 177.0512 87 R 3.9818 8.8093 126.7837 59.3259 30.1517 178.3931 88 E 4.0088 8.7806 116.9856 58.0006 30.2282 177.3084 89 A 4.4544 7.6780 124.6963 50.8335 18.0236 176.4581 *91 Y 4.6956 7.3871 120.6280 56.1325 40.7315 175.6128 92 N 4.5165 7.9905 117.6112 51.2700 42.5206 173.9088 93 E 3.8071 8.7462 128.3429 59.7161 29.7188 179.3346 94 V 3.6173 7.6955 117.1434 66.3161 31.6785 178.2320 95 K 4.4444 8.3082 119.2377 58.7883 31.8417 179.1629 96 D 4.4668 8.3989 119.8722 57.3741 40.7507 178.4478 97 H 4.4239 8.2394 116.9557 58.9031 28.5573 177.7698 98 Q 4.0678 8.3313 119.7076 58.9881 28.5784 178.7241 99 A 4.0325 8.2071 121.5355 55.1486 18.3147 179.5712 100 A 4.0541 8.1869 119.4963 55.1585 18.3386 180.1134 101 G 3.6018 8.2862 104.1407 47.8971 0.0000 175.8247 102 A 4.0347 8.3360 123.0936 54.7141 18.1582 179.5826 103 A 3.9396 7.8615 118.3274 55.3016 18.6073 179.6270 104 V 3.4250 7.4564 115.3988 66.0666 31.6790 177.5819 105 Q 4.2039 8.1780 119.4301 59.2474 28.7845 178.7432 106 N 4.4922 8.1726 115.3087 54.1009 38.9094 176.7505 *108 L 4.2832 7.8845 122.3480 54.9624 44.0148 179.3503 109 L 3.9891 8.2713 118.3075 57.7449 41.6063 179.3182 110 A 3.9951 8.3472 120.8207 55.0523 18.1991 179.4872 111 A 3.8972 7.9415 118.6645 55.6033 18.4806 179.0316 112 H 4.1425 8.4121 116.5221 59.5788 29.7352 177.3029 113 A 4.0125 8.3466 121.3559 54.4377 18.1679 178.4974 114 L 4.3943 7.3895 115.1938 53.9948 41.8908 176.6631 115 Q 3.5601 7.8670 116.5913 56.8845 26.6819 173.3977 116 L 4.5894 7.9993 117.3929 53.6151 43.7763 176.2049 117 G 4.4398 9.1206 108.2357 44.9551 0.0000 172.5631 118 A 5.5839 8.4306 123.2468 50.5380 23.5895 175.2343 119 V 4.7422 8.7712 118.1567 59.7399 35.1259 174.2429 120 W 4.5250 9.1100 135.0000 57.4601 31.4091 174.8953 121 L 4.6330 9.9157 129.4814 53.3684 42.6900 177.3884 122 G 3.9057 8.6560 112.4944 45.8617 0.0000 174.4324 123 E 3.9680 8.2955 120.3864 59.4019 29.5806 178.3701 124 I 3.8532 7.9822 118.4077 64.0289 37.9867 177.4421 125 I 3.8777 7.6050 113.3453 63.2398 37.1623 177.7988 126 N 4.4884 8.0482 117.9272 55.5979 38.4177 175.5013 127 Q 4.5602 7.9475 117.9848 55.7096 29.3669 177.0125 128 A 4.1386 8.1608 123.6505 55.7162 17.9863 180.4905 129 A 4.0387 8.1387 117.8383 54.7771 18.8882 178.8299 130 T 4.3042 7.7634 107.1883 63.3792 69.9937 176.8470 131 L 3.5654 8.1669 123.4257 57.7573 42.0772 178.7751 132 L 3.8696 7.8632 118.8281 57.5238 41.6113 177.7418 133 P 4.1765 0.0000 0.0000 65.6414 31.0599 178.4756 134 A 4.0315 7.6950 118.0062 54.6376 18.3068 178.6480 135 L 4.2550 7.6150 114.6687 53.6202 42.1642 176.3664 136 A 3.7229 7.8964 120.7754 53.4245 16.6083 177.4746 137 L 4.5643 7.8697 118.2581 54.1555 44.7321 176.4286 138 D 4.6737 8.1427 121.0793 51.9971 41.2319 175.3339 139 P 4.7472 0.0000 0.0000 64.1327 31.8772 177.5887 140 A 4.1052 8.2389 122.3972 54.7829 18.6565 178.5059 141 R 4.1897 7.6452 116.0081 57.3570 30.8015 176.0342 142 L 5.1350 8.0504 117.8810 52.6963 44.2104 174.8167 143 S 4.8006 8.8338 118.4697 56.9484 64.1094 172.4913 144 F 4.9178 9.0381 130.0832 58.0509 39.2546 174.4859 145 E 4.3469 8.8961 126.4367 58.0664 30.7017 176.3130 146 A 4.2962 6.6626 117.1375 51.0988 22.5995 174.8825 147 A 5.1382 8.4970 120.9096 50.1575 22.4840 175.3200 148 I 4.8753 8.9143 122.8859 59.5083 39.7795 174.5898 149 A 5.0517 8.7389 129.1813 50.7366 20.9964 175.6964 150 A 4.7717 8.2356 122.1910 50.6604 23.5733 175.2905 151 G 3.8455 8.0104 105.5996 45.8994 0.0000 172.3286 152 H 4.8833 8.2604 117.2749 54.9263 29.8077 173.7413 153 P 4.8132 0.0000 0.0000 62.8560 31.9325 175.8398 154 A 4.8653 8.6333 123.3053 51.7323 19.9010 175.7824 155 Q 4.5359 7.6562 112.4286 55.0310 31.6282 174.4746 156 N 4.4232 8.7092 115.4508 53.5398 39.2054 176.9586 157 G 4.1160 9.5563 101.9847 45.9008 0.0000 172.6972 158 S 4.4501 8.0387 111.0524 57.3911 65.1867 173.8667 159 S 4.5812 8.3123 120.9276 57.7930 65.1577 172.1970 160 S 4.7243 8.0677 113.5425 57.2416 65.3936 173.3775 161 R 4.6861 8.0367 118.9965 54.2180 33.7832 175.7247 162 R 4.1807 8.3237 119.3434 55.2734 31.0527 175.0612 163 P 4.4138 0.0000 0.0000 62.2040 32.3118 177.2709 164 L 3.9051 8.8867 123.1592 58.7770 41.6520 179.4447 165 A 4.1566 8.0932 119.6819 55.3043 18.0409 179.2378 166 E 3.9030 8.1071 116.2661 58.7760 29.6322 178.4599 167 L 4.3704 7.7344 116.9025 54.0842 42.4517 176.5734 168 L 4.3676 6.8436 119.6891 53.7641 42.3717 177.2846 169 L 4.1659 8.4110 122.9839 56.9084 42.0567 176.7449 170 E 4.5886 7.5264 117.3388 54.5314 32.4697 173.9247 171 E 4.1620 8.6303 125.2968 55.3215 29.6895 174.8939 172 P 4.3437 0.0000 0.0000 62.9489 32.2253 175.6865 173 F 5.1113 7.3300 117.5382 55.0642 41.1833 173.7815 174 P 4.4760 0.0000 0.0000 63.2329 31.3028 176.2519 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 3 T 8.17 4.14 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 4 E 8.48 4.19 0.00 2.02 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 2.32 2.36 0.00 5 N 9.30 4.30 0.00 2.79 2.70 0.00 0.00 7.11 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 P 0.00 4.24 0.00 2.20 2.09 0.00 3.65 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 2.11 2.14 0.00 7 V 7.99 3.57 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 1.04 0.00 0.00 0.93 0.00 0.00 8 L 8.12 3.99 0.00 1.85 1.70 0.92 0.78 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 9 Q 8.39 3.91 0.00 2.23 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.51 2.54 0.00 10 A 8.17 3.98 1.43 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 0.00 0.00 11 I 7.66 3.65 2.03 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.70 0.92 0.00 0.00 12 R 7.90 4.06 0.00 1.80 2.08 0.00 3.29 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 13 Q 8.10 4.38 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.47 0.00 14 R 7.38 3.76 0.00 1.77 1.80 0.00 3.26 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 15 R 8.24 4.68 0.00 1.82 1.79 0.00 3.42 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 16 S 8.58 4.44 0.00 3.85 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 17 I 8.53 4.48 1.97 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 1.52 0.89 0.84 0.00 0.00 18 R 9.20 4.50 0.00 1.64 1.88 0.00 3.06 0.00 0.00 2.97 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.45 0.00 19 R 6.80 4.20 0.00 1.68 1.51 0.00 3.09 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 20 Y 8.16 5.43 0.00 2.99 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 21 T 8.94 4.38 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 1.28 0.00 0.00 22 D 8.62 4.66 0.00 2.67 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 23 E 7.82 4.17 0.00 1.99 1.78 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 2.32 2.25 0.00 24 A 8.43 4.10 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 25 V 8.06 4.32 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 0.83 0.00 0.00 0.85 0.00 0.00 26 S 8.42 4.39 0.00 4.09 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 27 D 8.58 4.36 0.00 2.71 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 28 E 8.17 3.89 0.00 2.07 1.94 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 2.37 2.43 0.00 29 A 8.12 3.96 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 30 V 7.67 3.50 2.19 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 1.04 0.00 0.00 0.90 0.00 0.00 31 R 8.28 3.83 0.00 1.98 2.03 0.00 3.15 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 32 L 8.04 3.99 0.00 1.87 1.68 0.91 0.74 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 33 I 7.82 3.66 1.96 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 1.49 0.64 0.85 0.00 0.00 34 L 7.96 3.64 0.00 1.73 1.48 0.88 0.72 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 35 E 8.53 4.00 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 2.48 2.51 0.00 36 A 7.90 4.17 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 37 G 7.87 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 38 I 7.47 3.90 1.73 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 1.70 0.35 0.73 0.00 0.00 39 W 7.64 4.42 0.00 3.27 3.30 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 40 A 7.26 4.25 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 41 P 0.00 4.70 0.00 2.23 2.13 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 2.03 2.00 0.00 42 S 8.18 4.71 0.00 4.12 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 43 G 9.00 4.26 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 0.00 44 L 7.75 4.39 0.00 1.36 1.38 0.55 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 45 N 7.96 4.13 0.00 2.76 2.77 0.00 0.00 7.07 7.89 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 46 N 7.53 4.33 0.00 3.02 2.86 0.00 0.00 7.00 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 47 Q 8.01 3.30 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.02 0.00 0.00 0.00 0.00 0.00 2.21 2.27 0.00 48 P 0.00 4.50 0.00 2.11 2.32 0.00 3.71 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 2.07 2.25 0.00 49 C 7.98 4.74 0.00 2.87 2.33 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 50 R 8.71 4.63 0.00 1.62 1.71 0.00 3.20 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.65 0.00 51 F 8.71 5.53 0.00 2.93 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 52 L 9.08 4.77 0.00 1.86 1.75 0.95 0.70 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 53 V 8.60 4.62 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 0.85 0.00 0.00 0.96 0.00 0.00 54 I 9.29 4.57 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.82 0.93 0.00 0.00 55 R 8.58 4.69 0.00 1.77 1.83 0.00 3.15 0.00 0.00 3.34 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 56 A 8.53 3.98 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 57 D 7.94 4.56 0.00 2.81 2.80 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 58 D 8.30 4.59 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 59 P 0.00 4.26 0.00 2.20 2.12 0.00 3.66 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 2.20 0.00 60 R 8.70 4.02 0.00 1.97 1.99 0.00 3.12 0.00 0.00 3.15 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 61 C 8.14 4.17 0.00 3.10 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 62 D 7.92 4.39 0.00 2.81 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 63 I 7.56 3.78 2.03 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 1.67 0.63 0.92 0.00 0.00 64 L 8.30 4.18 0.00 1.91 1.80 0.96 0.64 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 65 A 8.39 4.04 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 66 A 8.16 4.15 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 67 H 7.98 4.86 0.00 3.19 3.36 0.00 5.64 0.00 0.00 0.00 0.00 6.83 0.00 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1.80 0.00 76 G 7.86 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 77 A 7.30 3.80 1.23 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 0.00 0.00 78 K 8.35 4.43 0.00 1.61 1.81 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.40 1.73 7.81 79 V 7.35 4.97 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 0.69 0.00 0.00 0.91 0.00 0.00 80 I 9.04 4.97 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.00 0.99 0.00 0.00 81 I 8.82 4.77 1.89 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 0.66 1.03 0.00 0.00 82 L 9.22 4.93 0.00 1.73 1.37 0.98 0.69 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 83 V 8.67 4.69 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 0.79 0.00 0.00 0.93 0.00 0.00 84 F 9.05 5.40 0.00 2.91 2.97 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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 0.00 112 H 8.41 4.14 0.00 3.35 3.54 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 A 8.35 4.01 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 0.00 114 L 7.39 4.39 0.00 1.80 1.68 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 115 Q 7.87 3.56 0.00 2.20 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.59 6.78 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 116 L 8.00 4.59 0.00 1.64 1.54 0.86 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 117 G 9.12 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 A 8.43 5.58 1.24 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 0.00 0.00 119 V 8.77 4.74 2.27 0.00 0.00 0.00 0.00 0.00 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6.72 0.00 0.00 0.00 0.00 0.00 2.45 2.40 0.00 128 A 8.16 4.14 1.64 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 0.00 129 A 8.14 4.04 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 0.00 130 T 7.76 4.30 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 131 L 8.17 3.57 0.00 1.69 1.74 0.73 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 132 L 7.86 3.87 0.00 1.94 1.82 0.79 0.96 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 0.00 133 P 0.00 4.18 0.00 2.14 2.09 0.00 3.65 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 2.29 2.15 0.00 134 A 7.70 4.03 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 0.00 135 L 7.61 4.25 0.00 1.72 1.65 0.82 0.70 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 0.00 136 A 7.90 3.72 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 0.00 137 L 7.87 4.56 0.00 1.57 1.31 0.64 0.90 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 0.00 138 D 8.14 4.67 0.00 2.68 2.48 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 0.00 139 P 0.00 4.75 0.00 2.24 2.19 0.00 3.41 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.92 0.00 140 A 8.24 4.11 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 0.00 141 R 7.65 4.19 0.00 2.00 2.02 0.00 3.06 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 142 L 8.05 5.13 0.00 1.65 1.54 0.38 0.47 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 0.00 143 S 8.83 4.80 0.00 3.97 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 0.00 144 F 9.04 4.92 0.00 3.02 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 0.00 145 E 8.90 4.35 0.00 1.82 1.89 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 2.44 2.37 0.00 146 A 6.66 4.30 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 A 8.50 5.14 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 0.00 148 I 8.91 4.88 1.84 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 1.00 0.63 0.89 0.00 0.00 149 A 8.74 5.05 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 0.00 150 A 8.24 4.77 1.13 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 0.00 151 G 8.01 3.85 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 0.00 152 H 8.26 4.88 0.00 3.16 3.29 0.00 5.62 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 P 0.00 4.81 0.00 2.23 2.11 0.00 3.81 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.02 0.00 154 A 8.63 4.87 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 0.00 155 Q 7.66 4.54 0.00 2.08 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 6.98 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 156 N 8.71 4.42 0.00 2.73 2.92 0.00 0.00 7.01 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 0.00 157 G 9.56 4.12 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 0.00 158 S 8.04 4.45 0.00 3.79 3.69 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 0.00 159 S 8.31 4.58 0.00 3.80 3.69 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 0.00 160 S 8.07 4.72 0.00 3.95 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 R 8.04 4.69 0.00 1.75 1.80 0.00 3.36 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 162 R 8.32 4.18 0.00 1.79 2.03 0.00 3.38 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 163 P 0.00 4.41 0.00 2.19 1.98 0.00 3.76 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 2.11 2.07 0.00 164 L 8.89 3.91 0.00 1.79 1.75 0.96 1.07 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 0.00 165 A 8.09 4.16 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 0.00 166 E 8.11 3.90 0.00 2.13 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 2.35 0.00 167 L 7.73 4.37 0.00 1.62 1.70 0.92 0.84 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 0.00 168 L 6.84 4.37 0.00 1.87 1.75 0.93 0.86 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 0.00 169 L 8.41 4.17 0.00 1.61 1.71 0.91 0.83 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 0.00 170 E 7.53 4.59 0.00 1.83 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 2.13 2.29 0.00 171 E 8.63 4.16 0.00 1.97 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 2.28 2.23 0.00 172 P 0.00 4.34 0.00 1.60 1.82 0.00 3.32 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.30 0.00 173 F 7.33 5.11 0.00 3.10 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 0.00 174 P 0.00 4.48 0.00 2.21 2.08 0.00 3.98 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 * Residues marked with a * may have inaccurate shift predictions.