NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 50 R 4.2066 8.2544 120.8561 55.1500 31.4537 175.7827 51 E 3.7692 8.7141 115.2095 54.3288 30.9256 173.7173 52 P 4.7667 0.0000 0.0000 62.3521 32.9415 172.8261 53 R 4.0727 7.6974 123.9369 58.2200 27.8430 176.3873 54 G 3.8610 8.8195 115.4442 45.8980 0.0000 172.1419 55 L 4.3636 8.5705 124.6059 54.6137 41.8841 176.8208 56 G 3.8634 7.7674 108.7393 44.5049 0.0000 172.0016 57 P 4.4036 0.0000 0.0000 62.1135 31.8669 176.9335 58 L 4.1705 8.1785 120.7806 55.1494 42.2332 178.0545 59 Q 4.4369 8.3278 121.3032 54.9492 28.0527 173.3111 60 I 4.7409 7.9651 122.3909 59.0091 40.9474 174.3075 61 W 5.5415 8.8772 125.9131 55.1381 32.6174 174.6784 62 Q 5.2943 8.9427 120.1622 54.6438 31.5841 174.8952 63 T 4.9908 8.7844 119.6735 62.2400 72.6346 172.4826 64 D 4.8305 9.3276 123.2401 53.7781 45.6095 173.3937 65 F 5.3526 8.9719 118.8215 55.9258 41.9897 175.2378 66 T 4.9414 9.5325 116.4058 60.4256 71.0913 172.1750 67 L 3.9559 8.2810 130.3058 54.1079 42.9918 175.6995 68 E 4.4359 9.0070 127.7594 53.3966 29.9224 173.5065 69 P 4.3049 0.0000 0.0000 64.8277 31.8799 179.4192 70 R 3.9717 8.3723 119.3832 55.5358 29.0307 176.0959 *72 A 4.3589 7.8446 119.1756 51.2536 19.5795 176.1925 73 P 4.3635 0.0000 0.0000 64.9251 32.1258 177.7027 74 R 4.4977 7.6348 120.3535 55.0810 28.5408 175.9177 75 S 4.4913 7.6839 113.0142 58.7121 65.3975 174.9728 76 W 4.7621 8.2346 122.4192 56.2771 29.9519 175.1046 77 L 5.1789 9.1294 126.0379 53.1686 43.3905 175.5750 78 A 4.3993 8.8969 126.4075 50.1670 20.9508 175.8670 79 V 4.8266 8.6050 122.5799 61.2834 35.2120 174.3948 80 T 5.1879 9.0078 123.9432 61.5874 72.2897 173.0892 81 V 4.6652 8.7492 125.4548 59.7363 34.3285 174.2001 82 D 4.8727 9.2584 126.0858 53.7417 41.2377 176.8992 83 T 3.9186 8.9523 117.8487 64.5258 68.7455 175.7776 84 A 4.2261 8.5253 124.7154 54.0169 18.9245 177.9304 85 S 4.5406 8.4059 107.3736 57.6046 63.8168 175.1310 86 S 3.8976 8.5205 116.0765 58.8465 61.1223 170.7158 87 A 4.3331 7.5671 122.9888 52.1094 19.3081 177.0399 88 I 4.9694 8.6603 120.7090 59.3880 40.7384 175.3125 89 V 4.5061 8.8790 125.8313 60.9726 34.2810 174.6510 90 V 5.6659 8.5858 126.0466 59.2467 34.4251 174.5745 91 T 4.8901 8.4516 112.0242 60.0607 72.6106 172.2266 92 Q 5.1790 8.5139 119.9560 55.0446 31.4970 174.4861 93 H 4.9175 9.1308 117.2009 54.2809 32.8393 175.1068 94 G 3.7611 9.0566 111.0544 47.8922 0.0000 173.8625 95 R 4.6578 7.5848 116.6645 54.2538 34.0753 175.3622 96 V 2.8106 7.5549 120.7150 60.5602 30.7946 175.7527 97 T 4.3385 7.0355 114.7361 58.8660 72.6780 174.6186 98 S 4.1951 8.1536 118.0805 61.2401 62.7382 177.1694 99 V 3.4194 7.5735 120.1005 65.8038 31.2822 177.7292 100 A 3.7789 7.8844 120.3639 54.9315 18.0929 179.4711 101 A 3.4095 7.7020 119.3233 55.1192 18.2205 179.9523 102 Q 2.9074 7.3771 116.2014 58.9193 28.7452 178.4824 103 H 4.2944 8.2076 117.6149 59.0144 28.6104 177.3613 104 H 4.1029 8.1169 120.0048 59.1614 29.7182 177.4644 105 W 4.5072 8.0382 120.6572 59.5872 28.7929 178.2655 106 A 4.2280 8.5665 121.2668 55.6367 17.8864 179.8575 107 T 3.7868 7.8890 113.3029 66.8753 68.6038 176.7574 108 A 3.8572 8.1827 122.8865 55.2890 18.2146 179.7977 109 I 4.2423 8.7923 119.8481 64.0659 36.9137 178.5308 110 A 4.0618 7.8068 120.8065 54.8465 18.2213 179.6130 111 V 3.7549 7.7421 116.0870 65.4905 31.9248 177.4724 112 L 4.6483 8.5521 115.4240 53.3604 42.6248 176.6109 113 G 3.9717 8.2260 105.4229 44.4310 0.0000 172.4610 114 R 4.0377 8.1092 119.2376 54.8296 30.5532 174.4069 115 P 4.2930 0.0000 0.0000 61.8148 32.6504 175.8464 116 K 4.2054 8.6301 117.6167 58.4026 33.3558 177.0054 117 A 4.9910 7.3291 119.3787 50.6027 23.0610 175.1349 118 I 4.9473 8.5659 119.8451 59.3493 41.3762 174.3786 119 K 5.0725 9.7670 129.4661 55.2863 34.3868 175.3422 120 T 5.1315 8.9280 116.6177 59.4813 72.8193 171.8204 121 D 5.1149 8.2564 120.3069 52.9985 41.7391 176.1008 122 N 4.9206 8.7209 119.2407 53.6515 38.8714 175.6196 123 G 3.8980 9.0338 108.8009 45.6631 0.0000 175.7062 124 S 4.1893 8.5049 116.2481 60.9540 63.3664 175.8619 125 C 4.1385 7.5788 113.8805 58.7801 29.6026 174.5041 126 F 4.9900 8.1407 118.7105 58.0137 40.4122 176.2924 127 T 4.6165 7.9278 108.3447 61.0525 69.2964 174.7545 128 S 4.3702 7.6450 117.5036 58.0110 63.9472 175.1371 129 K 3.9719 8.6905 122.0729 59.6364 31.7541 178.8327 130 S 4.1746 8.0954 112.9306 61.9041 62.3971 176.2548 131 T 4.2095 7.9161 117.9040 66.8062 68.1424 176.9418 132 R 4.0884 8.2790 120.0482 59.3664 30.0121 178.7882 133 E 4.0138 8.5463 119.1548 59.0111 29.5401 178.6537 134 W 4.1833 8.7506 128.7082 60.4739 30.7049 177.9946 135 L 4.2871 8.6021 118.9760 57.5195 41.0958 179.2100 136 A 3.9759 8.5277 121.3740 55.0648 18.0861 179.5290 137 R 3.7154 8.0508 116.6093 59.0907 30.1820 178.0034 138 W 4.1474 7.5822 115.9157 56.0547 29.3423 176.7249 139 G 3.8195 7.8365 106.9808 46.3728 0.0000 173.1027 140 I 4.3927 7.7389 120.1847 58.8199 38.8262 175.9916 141 A 4.2746 8.6930 129.1271 52.1467 19.7375 175.6192 142 H 5.2982 8.5914 118.8367 54.6793 33.0920 172.5387 143 T 4.7525 8.7172 119.0578 60.6767 70.6798 174.1472 144 T 4.9870 8.3042 115.5145 60.5768 70.6551 175.8166 145 G 3.9436 8.0787 108.6231 45.2973 0.0000 173.3821 146 I 4.1973 8.1071 123.2675 58.6854 38.4372 172.7988 147 P 4.2030 0.0000 0.0000 65.0156 30.5069 174.6447 148 G 3.6353 8.6492 113.2774 46.1846 0.0000 170.9079 149 N 4.5869 7.9385 119.3875 53.2462 40.3334 175.5369 150 S 4.7152 7.9466 116.3031 58.0704 60.9134 167.4802 151 Q 5.1268 7.0024 126.0631 55.5641 30.6720 172.5656 152 G 4.0781 8.6172 114.2185 45.6750 0.0000 173.5536 153 Q 4.5991 8.0794 118.9978 55.1560 28.4757 178.0796 154 A 3.9809 7.6299 117.6683 52.6233 18.1059 180.4381 *156 V 4.0929 7.8928 121.6562 63.0218 33.9158 177.5456 157 E 3.9667 8.1817 119.8364 59.3015 29.2636 179.3040 158 R 3.8894 8.1409 118.4287 59.2676 30.1351 178.3519 159 A 4.0060 7.9774 120.1347 55.1639 18.3965 179.0265 160 N 4.2785 8.5075 115.3224 56.7675 38.6761 177.9080 161 R 3.9469 7.9453 119.1658 59.2235 30.0565 179.1910 162 L 4.0279 8.0736 118.9002 57.4394 41.4876 179.3525 163 L 3.9261 8.0034 120.3247 58.2592 42.1623 179.2681 164 K 3.9732 8.2121 118.4531 59.3978 31.8670 179.2287 165 D 4.3432 8.1432 119.3893 57.2714 40.7238 178.6976 166 K 3.9766 8.3543 120.4010 59.4077 32.1096 178.9511 167 I 3.7227 8.0887 120.5356 64.3152 36.9920 178.3443 168 R 3.9020 8.0724 119.5351 59.4037 29.8834 178.7703 169 V 3.6001 7.9743 118.0858 66.0305 31.4191 178.0874 170 L 4.0067 8.4076 118.9895 57.5515 41.4769 179.2932 171 A 4.1879 8.4785 121.1857 55.4512 18.3589 179.5968 172 E 4.1601 8.7355 117.6686 59.4590 29.2534 179.7302 173 G 3.6683 8.1093 105.1447 47.4449 0.0000 174.3812 174 D 4.5542 7.4338 118.2617 53.6725 41.0679 177.3605 175 G 3.7376 7.9447 108.1958 45.1209 0.0000 173.6632 176 F 5.0421 7.2915 117.5651 55.8684 42.1862 178.1259 *178 K 4.4013 7.9088 121.5603 56.2296 32.9284 179.6472 179 R 4.1375 8.7502 127.2856 56.9347 30.5239 174.3966 180 I 3.5838 8.3334 127.7666 60.1803 37.9840 174.2830 181 P 4.0240 0.0000 0.0000 63.4737 31.9787 177.1183 182 T 3.8125 8.8857 121.1147 67.0464 68.2606 176.5748 183 S 4.3022 7.9911 112.8609 60.0478 63.2901 175.1130 184 K 4.4311 7.8503 121.2675 56.5481 32.6062 178.1865 185 Q 4.0166 7.8720 119.4211 58.8549 28.7004 178.4443 186 G 3.6807 8.0439 106.2241 48.1239 0.0000 175.3678 187 E 4.0829 8.1057 120.5310 58.5814 29.5123 179.0419 188 L 3.9670 7.7767 120.6379 57.9912 41.9802 178.7019 189 L 3.9259 8.1434 119.3461 58.2154 42.1183 178.5400 190 A 4.1441 7.8430 119.6179 54.9266 18.4928 179.2146 191 K 4.2032 8.3615 118.3940 59.3214 32.4291 179.0893 192 A 4.4085 8.1085 120.8011 52.3863 18.4478 178.8167 *194 Y 4.5149 7.9188 123.1213 59.2087 40.6226 176.8372 195 A 3.5052 8.0880 121.1563 54.8749 18.4489 178.4091 196 L 4.4514 7.5882 113.1505 55.9729 42.3195 177.5045 197 N 4.1943 7.6176 114.8937 54.0247 39.4723 174.8393 198 H 4.3383 7.3211 115.1967 53.5545 30.3961 173.5046 199 F 4.9345 8.0051 123.2803 55.5807 41.1211 176.9084 200 E 4.4701 8.7305 128.9601 55.6195 27.4207 177.3390 201 R 4.2234 7.4917 121.1629 56.8095 31.1425 175.6943 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 50 R 8.25 4.21 0.00 1.77 1.77 0.00 3.24 0.00 0.00 3.21 7.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 51 E 8.71 3.77 0.00 2.11 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 2.50 2.36 0.00 52 P 0.00 4.77 0.00 2.48 2.11 0.00 3.57 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.87 0.00 53 R 7.70 4.07 0.00 2.11 2.06 0.00 3.42 0.00 0.00 3.31 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 54 G 8.82 3.86 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 0.00 0.00 0.00 55 L 8.57 4.36 0.00 1.65 1.70 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 56 G 7.77 3.86 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 0.00 0.00 0.00 57 P 0.00 4.40 0.00 2.08 2.02 0.00 3.70 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 58 L 8.18 4.17 0.00 1.63 1.59 0.91 0.93 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 59 Q 8.33 4.44 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.86 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 60 I 7.97 4.74 1.90 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 1.30 0.79 0.93 0.00 0.00 61 W 8.88 5.54 0.00 3.25 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 62 Q 8.94 5.29 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.74 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 63 T 8.78 4.99 4.50 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 64 D 9.33 4.83 0.00 2.75 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 F 8.97 5.35 0.00 2.86 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 66 T 9.53 4.94 4.35 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 1.26 0.00 0.00 67 L 8.28 3.96 0.00 0.27 1.06 -0.30 0.45 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 68 E 9.01 4.44 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 2.17 2.24 0.00 69 P 0.00 4.30 0.00 2.01 2.02 0.00 3.64 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.96 0.00 70 R 8.37 3.97 0.00 1.90 1.92 0.00 3.15 0.00 0.00 3.19 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.69 0.00 *72 A 7.84 4.36 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 73 P 0.00 4.36 0.00 2.19 2.18 0.00 3.72 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 1.97 1.97 0.00 74 R 7.63 4.50 0.00 1.81 1.94 0.00 3.20 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 75 S 7.68 4.49 0.00 3.72 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 0.00 76 W 8.23 4.76 0.00 3.61 3.34 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 77 L 9.13 5.18 0.00 1.78 1.61 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 78 A 8.90 4.40 0.34 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 79 V 8.61 4.83 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 0.94 0.00 0.00 0.95 0.00 0.00 80 T 9.01 5.19 4.04 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 0.51 0.00 0.00 81 V 8.75 4.67 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 0.76 0.00 0.00 0.96 0.00 0.00 82 D 9.26 4.87 0.00 2.70 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 83 T 8.95 3.92 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 1.29 0.00 0.00 84 A 8.53 4.23 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 85 S 8.41 4.54 0.00 3.99 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 86 S 8.52 3.90 0.00 4.09 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 0.00 87 A 7.57 4.33 1.14 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 0.00 0.00 88 I 8.66 4.97 1.94 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 1.07 0.67 0.86 0.00 0.00 89 V 8.88 4.51 1.83 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 0.96 0.00 0.00 0.70 0.00 0.00 90 V 8.59 5.67 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 0.54 0.00 0.00 0.96 0.00 0.00 91 T 8.45 4.89 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 92 Q 8.51 5.18 0.00 2.28 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.75 0.00 0.00 0.00 0.00 0.00 2.19 2.32 0.00 93 H 9.13 4.92 0.00 3.29 3.27 0.00 5.61 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 G 9.06 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 R 7.58 4.66 0.00 1.65 1.66 0.00 3.42 0.00 0.00 3.29 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 96 V 7.55 2.81 0.67 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 -0.20 0.00 0.00 -0.87 0.00 0.00 97 T 7.04 4.34 4.04 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 1.01 0.00 0.00 98 S 8.15 4.20 0.00 3.77 4.02 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 0.00 0.00 0.00 99 V 7.57 3.42 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 0.90 0.00 0.00 0.88 0.00 0.00 100 A 7.88 3.78 1.22 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 0.00 0.00 0.00 101 A 7.70 3.41 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 Q 7.38 2.91 0.00 1.89 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 1.68 2.19 0.00 103 H 8.21 4.29 0.00 3.35 3.41 0.00 5.82 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 H 8.12 4.10 0.00 3.01 3.03 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 W 8.04 4.51 0.00 3.11 3.17 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 0.00 106 A 8.57 4.23 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 0.00 0.00 0.00 0.00 0.00 107 T 7.89 3.79 4.32 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 1.20 0.00 0.00 108 A 8.18 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 I 8.79 4.24 1.79 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.54 0.63 0.00 0.00 110 A 7.81 4.06 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 0.00 111 V 7.74 3.75 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 0.83 0.00 0.00 0.96 0.00 0.00 112 L 8.55 4.65 0.00 1.91 1.85 0.24 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 113 G 8.23 3.97 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 0.00 0.00 0.00 114 R 8.11 4.04 0.00 1.85 1.84 0.00 3.66 0.00 0.00 3.57 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.49 0.00 115 P 0.00 4.29 0.00 1.45 0.49 0.00 3.13 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.44 0.00 116 K 8.63 4.21 0.00 1.67 1.80 0.00 1.62 0.00 0.00 1.58 0.00 0.00 2.77 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.32 1.58 7.81 117 A 7.33 4.99 1.10 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 0.00 0.00 0.00 0.00 0.00 0.00 118 I 8.57 4.95 1.46 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.24 0.97 0.00 0.00 119 K 9.77 5.07 0.00 1.69 1.68 0.00 1.60 0.00 0.00 1.88 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.51 7.81 120 T 8.93 5.13 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 0.93 0.00 0.00 121 D 8.26 5.11 0.00 2.87 2.83 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 0.00 122 N 8.72 4.92 0.00 2.78 2.91 0.00 0.00 6.72 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 0.00 123 G 9.03 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 S 8.50 4.19 0.00 3.95 4.08 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 0.00 125 C 7.58 4.14 0.00 2.72 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 0.00 126 F 8.14 4.99 0.00 3.29 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 0.00 127 T 7.93 4.62 4.32 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 1.40 0.00 0.00 128 S 7.65 4.37 0.00 4.04 4.15 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 0.00 0.00 0.00 0.00 129 K 8.69 3.97 0.00 1.88 1.88 0.00 1.76 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.55 1.55 7.81 130 S 8.10 4.17 0.00 3.96 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 0.00 131 T 7.92 4.21 4.41 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 1.70 0.00 0.00 132 R 8.28 4.09 0.00 1.93 2.08 0.00 3.44 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.84 0.00 133 E 8.55 4.01 0.00 2.20 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 0.00 2.37 2.45 0.00 134 W 8.75 4.18 0.00 3.71 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.60 4.29 0.00 1.99 1.85 0.59 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 136 A 8.53 3.98 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 0.00 137 R 8.05 3.72 0.00 1.80 1.87 0.00 2.68 0.00 0.00 2.89 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.45 0.00 138 W 7.58 4.15 0.00 3.01 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 0.00 139 G 7.84 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 I 7.74 4.39 1.71 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.58 0.54 0.00 0.00 141 A 8.69 4.27 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 0.00 142 H 8.59 5.30 0.00 2.96 3.14 0.00 5.87 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 T 8.72 4.75 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 1.19 0.00 0.00 144 T 8.30 4.99 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 0.00 145 G 8.08 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 0.00 146 I 8.11 4.20 1.88 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 1.47 1.00 1.02 0.00 0.00 147 P 0.00 4.20 0.00 2.18 2.13 0.00 3.79 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 148 G 8.65 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 0.00 149 N 7.94 4.59 0.00 3.15 2.73 0.00 0.00 7.64 8.32 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 0.00 150 S 7.95 4.72 0.00 3.94 4.31 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.00 5.13 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.66 0.00 0.00 0.00 0.00 0.00 2.22 2.16 0.00 152 G 8.62 4.08 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 0.00 0.00 0.00 153 Q 8.08 4.60 0.00 2.23 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.12 0.00 0.00 0.00 0.00 0.00 2.40 2.33 0.00 154 A 7.63 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 *156 V 7.89 4.09 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 1.04 0.00 0.00 1.01 0.00 0.00 157 E 8.18 3.97 0.00 2.21 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 2.37 2.50 0.00 158 R 8.14 3.89 0.00 1.90 1.93 0.00 3.10 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 159 A 7.98 4.01 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 0.00 160 N 8.51 4.28 0.00 2.98 2.91 0.00 0.00 7.06 7.22 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 0.00 161 R 7.95 3.95 0.00 1.99 1.98 0.00 3.13 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 1.66 1.94 0.00 162 L 8.07 4.03 0.00 1.84 1.72 0.93 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 163 L 8.00 3.93 0.00 2.04 1.81 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 164 K 8.21 3.97 0.00 1.84 1.89 0.00 1.80 0.00 0.00 1.62 0.00 0.00 3.08 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.61 1.47 7.81 165 D 8.14 4.34 0.00 2.86 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 0.00 166 K 8.35 3.98 0.00 1.94 1.86 0.00 1.55 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.55 7.81 167 I 8.09 3.72 2.09 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 1.42 0.59 0.92 0.00 0.00 168 R 8.07 3.90 0.00 1.90 2.07 0.00 3.10 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 169 V 7.97 3.60 2.24 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 0.99 0.00 0.00 0.95 0.00 0.00 170 L 8.41 4.01 0.00 1.75 1.75 0.98 0.60 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 0.00 171 A 8.48 4.19 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 0.00 172 E 8.74 4.16 0.00 2.05 2.01 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 2.35 2.52 0.00 173 G 8.11 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 D 7.43 4.55 0.00 2.28 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 G 7.94 3.74 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 0.00 0.00 0.00 176 F 7.29 5.04 0.00 3.05 2.83 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 *178 K 7.91 4.40 0.00 1.79 0.89 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.45 7.81 179 R 8.75 4.14 0.00 1.78 1.77 0.00 3.35 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.80 0.00 180 I 8.33 3.58 1.83 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 1.23 0.66 0.58 0.00 0.00 181 P 0.00 4.02 0.00 1.79 1.84 0.00 2.20 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.89 0.00 182 T 8.89 3.81 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 183 S 7.99 4.30 0.00 4.00 3.97 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 0.00 184 K 7.85 4.43 0.00 1.63 1.88 0.00 1.79 0.00 0.00 1.68 0.00 0.00 3.10 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.29 1.56 7.81 185 Q 7.87 4.02 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.45 0.00 186 G 8.04 3.68 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 0.00 187 E 8.11 4.08 0.00 2.04 2.01 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 2.39 2.36 0.00 188 L 7.78 3.97 0.00 1.85 1.80 1.09 0.89 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 0.00 189 L 8.14 3.93 0.00 1.62 1.68 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 190 A 7.84 4.14 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 K 8.36 4.20 0.00 1.94 2.03 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.58 1.58 7.81 192 A 8.11 4.41 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 *194 Y 7.92 4.51 0.00 3.07 3.29 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 0.00 195 A 8.09 3.51 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 0.00 196 L 7.59 4.45 0.00 1.65 1.75 0.89 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 197 N 7.62 4.19 0.00 2.31 2.28 0.00 0.00 6.79 8.16 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 0.00 198 H 7.32 4.34 0.00 2.89 3.11 0.00 5.60 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 F 8.01 4.93 0.00 3.02 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 E 8.73 4.47 0.00 2.01 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 2.38 2.46 0.00 201 R 7.49 4.22 0.00 1.83 1.79 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.68 0.00 * Residues marked with a * may have inaccurate shift predictions.