NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 T 5.0539 8.1216 117.1382 63.9560 70.5094 172.8645 22 K 4.0543 7.9921 120.7757 54.2894 35.3577 171.9267 23 H 5.7837 9.5461 124.2379 54.0143 31.7297 173.0848 24 I 4.6435 8.8150 120.6919 59.6624 41.7098 174.2640 25 I 4.9686 8.1805 125.6837 59.5848 40.6427 174.0448 26 L 5.2115 9.0713 127.7319 52.9505 44.4687 175.8061 27 V 4.8936 8.6968 122.9763 61.0253 34.2571 174.9488 28 R 4.7509 8.5321 128.4701 55.6152 30.7367 178.2020 29 H 4.4989 8.5132 120.8515 55.3599 29.7769 176.7909 *44 R 4.1206 8.0563 113.4224 57.0891 30.6488 171.4885 45 L 4.5486 7.4115 119.9361 54.0738 43.2919 177.6810 46 T 3.8542 8.4950 120.0539 64.3260 68.7441 175.5772 47 K 4.3017 8.3478 127.8888 53.1751 32.7556 173.3499 48 E 3.9123 8.8707 124.4059 56.0009 29.2158 176.2525 49 G 3.7897 7.9253 104.7416 48.3790 0.0000 175.3356 50 C 4.1182 8.2473 121.2353 63.3330 28.1509 176.5048 *51 K 3.9218 7.8308 125.0531 60.0323 31.2747 180.6863 52 Q 4.1114 8.1404 118.7991 58.8802 28.6430 178.6942 53 A 3.9506 8.6439 121.9772 55.5397 18.3943 179.2695 54 D 4.3225 8.4715 116.5806 57.5105 41.2660 178.5113 55 I 3.6204 8.2973 120.7003 64.4370 37.0485 178.3535 56 T 3.8017 8.4783 117.0877 66.6204 68.2977 176.4760 57 G 3.3975 8.2286 110.1850 48.2736 0.0000 176.1258 58 K 3.3796 7.1023 126.1575 59.1425 31.5871 180.6889 59 K 3.9676 7.9098 121.2771 59.1106 31.9772 178.6423 60 L 3.8688 8.2053 122.0018 58.5258 41.4802 180.2660 61 K 3.7854 8.0310 123.4186 59.8796 31.2683 180.6430 62 D 4.5243 7.8286 119.2277 57.2164 40.9176 178.5716 63 I 4.0972 7.9072 111.7377 62.4957 37.8214 176.9357 64 L 4.4122 8.0220 119.8815 52.8809 42.0553 175.3726 65 N 4.1362 7.3294 117.6831 55.4230 39.4649 174.0760 66 N 4.2804 9.0002 121.7848 53.5098 35.7294 174.2801 67 K 4.6311 7.7751 115.3715 56.1037 37.4483 177.4315 68 K 4.3609 8.5193 127.2621 54.6387 33.2205 174.8013 69 V 4.5729 8.4861 126.3899 60.7571 31.2483 175.2650 70 S 4.4276 8.7780 124.7941 60.3005 64.6196 174.5322 71 V 4.7017 7.4957 118.4056 60.7586 35.4059 174.2574 72 I 4.7355 8.3214 126.9849 59.8366 39.8351 174.4315 73 Y 5.1897 9.1109 125.7881 57.5606 40.2479 174.4117 74 H 5.1424 8.6283 116.3062 54.9665 32.6726 173.0086 75 S 4.8495 8.5153 114.3937 57.3070 65.0397 175.2291 76 D 4.5899 8.6277 119.4245 54.7815 37.1020 176.5871 *78 I 4.2170 7.9373 123.1701 61.0690 39.6726 178.4544 79 R 3.7430 7.9481 116.4508 59.2423 28.8668 178.3715 80 A 3.7483 7.8021 120.7291 54.8797 18.5341 179.1812 81 K 3.5009 8.0355 116.1846 59.6417 32.0603 178.6792 82 E 3.8503 8.6576 119.5180 59.7731 29.5471 178.9476 83 T 3.8143 8.2183 115.7111 66.5064 68.5184 176.2746 84 A 3.9818 8.2982 122.9580 55.3846 18.1658 179.0586 85 N 4.2695 8.3817 116.4383 56.1336 38.4742 177.4829 86 I 3.8348 7.7859 119.8534 64.7887 37.5360 178.3350 87 I 4.1297 8.1870 120.5352 64.0479 36.8908 178.3071 88 S 4.2687 8.8861 119.2766 62.6605 62.5250 177.5847 89 K 3.8795 7.3463 122.9851 60.2206 31.3930 179.5060 90 Y 4.3294 7.9624 114.9863 58.2303 39.5140 176.1852 91 F 4.8333 8.4675 118.9342 54.8179 39.6848 173.4031 92 P 4.2698 0.0000 0.0000 65.8945 31.7215 178.1359 93 D 4.5600 8.1446 114.0412 53.8825 40.0247 179.2517 94 A 4.8483 7.7154 120.7448 51.7252 20.7944 176.6160 95 N 4.7130 8.6842 118.8277 51.9941 40.4216 174.5589 96 L 4.6082 8.5132 124.3540 54.5641 42.7693 176.2821 97 I 4.5026 8.4737 125.1526 59.3052 40.2152 174.2459 98 N 4.7427 8.7691 125.8846 52.9547 40.0706 173.7208 99 D 4.9132 9.4408 126.1913 51.6145 43.2347 174.2468 100 P 4.5081 0.0000 0.0000 65.3902 31.4663 178.4994 101 N 4.4333 8.4552 116.1019 55.9031 38.4414 175.7942 102 L 4.3132 7.8931 116.2475 55.1876 40.7672 176.9922 103 N 4.4286 7.9877 118.7982 53.0358 38.9205 175.9385 104 E 3.8306 8.9042 121.1509 57.2519 29.8920 178.5294 105 G 3.8321 7.0513 105.9159 44.9157 0.0000 171.8138 106 T 4.3419 7.9497 108.5056 58.8718 70.4108 172.6282 107 P 4.3304 0.0000 0.0000 62.6770 32.2577 175.0601 108 Y 4.7257 8.3450 117.9000 56.2566 40.3740 175.0151 109 L 4.9101 8.1544 121.7552 51.8495 45.0452 174.7119 110 P 4.3404 0.0000 0.0000 62.8984 31.6844 176.0916 111 D 4.6116 8.3860 122.2523 52.2738 43.3550 173.2529 112 P 4.3314 0.0000 0.0000 64.5757 32.0304 176.2730 113 L 4.2948 8.3279 121.1005 53.1023 41.5470 175.8529 114 P 4.5837 0.0000 0.0000 65.4724 30.5416 179.1564 115 R 3.9706 7.9537 120.6907 61.9346 29.3193 183.5214 116 H 4.7850 8.3963 117.2386 58.4468 28.5583 178.1426 117 S 4.2663 8.1555 118.4859 61.8338 62.5093 177.2215 118 K 4.0296 8.0966 127.3130 59.3921 31.5954 180.5806 119 F 4.4814 7.9386 121.5678 61.4338 39.2295 177.0563 120 D 4.2930 8.8360 118.1932 57.4646 40.8389 178.4617 121 A 3.8239 8.3682 121.5781 55.1470 18.2913 179.1867 122 Q 4.0537 7.7615 118.9189 59.1944 29.3600 178.7228 123 K 4.0411 7.7325 124.5009 59.3282 31.5630 181.8259 124 I 3.7922 7.7828 119.6109 64.3890 36.9972 177.9518 125 K 3.7714 7.6680 120.1940 60.0136 31.8956 178.3601 126 E 3.9971 7.6509 117.4275 59.3004 29.4570 178.8108 127 D 4.3411 8.4618 119.4609 57.3483 40.8392 178.5625 128 N 4.2633 8.5134 120.0638 57.3150 39.0786 177.8147 129 K 4.0102 7.9948 125.0839 59.6689 31.6698 181.1809 130 R 4.0772 7.9327 118.4806 59.4605 30.0512 178.9786 131 I 3.5960 7.6305 118.3919 63.9181 37.8593 177.3533 132 N 4.4380 8.2454 118.0936 56.5378 38.7915 176.7447 133 K 3.9141 8.2422 120.8087 59.4634 32.2200 178.6660 134 A 4.0352 8.2624 121.1033 55.2251 17.8424 178.8242 135 Y 3.7802 8.6179 118.4787 61.0506 38.8959 178.4364 136 E 3.2761 8.1443 119.3016 59.2272 29.4202 179.3817 137 T 3.5229 7.6214 115.7513 66.7774 68.2769 175.9168 138 Y 4.0354 7.5089 116.0920 59.1899 38.2619 177.0347 139 F 4.2397 7.9899 117.5898 57.9861 40.1760 176.1796 140 Y 4.5912 7.4007 114.8599 59.1312 38.9100 176.3541 141 K 3.7180 7.3071 120.0208 56.0739 32.4223 174.2554 142 P 4.1283 0.0000 0.0000 64.0776 32.0658 177.2527 143 S 4.4006 8.2399 121.2539 57.7172 64.2846 172.8732 *145 D 4.4138 8.4771 116.7336 55.9447 39.8437 171.0335 146 E 4.3607 8.4056 121.0166 56.9448 30.7566 175.8961 147 D 4.7561 7.8491 117.5582 55.7102 42.2174 176.2013 148 E 4.6148 7.9885 120.2919 55.9341 30.5619 175.2310 149 Y 4.7631 9.2248 124.1674 56.2407 41.6931 174.5850 150 Q 5.0338 8.7246 120.3957 54.1203 32.6733 174.6652 151 L 4.5308 8.4978 121.8186 53.0373 44.2987 175.5865 152 V 4.4706 8.4770 124.6000 61.3688 32.9673 174.4846 153 I 4.7736 8.3814 129.8115 60.7590 38.2226 175.5097 154 C 4.8545 9.2108 123.7915 57.8662 32.4934 173.5810 155 H 4.0027 8.8459 122.3786 55.7060 30.5014 176.1971 156 G 3.6928 8.4288 111.3663 48.2574 0.0000 175.7762 157 N 4.3808 8.4337 118.0311 55.6377 38.4467 177.6853 158 V 3.1967 7.4373 119.4363 65.9445 31.8243 177.6840 159 I 3.7298 7.7785 119.8138 64.5754 36.8631 178.3583 160 R 3.7411 8.0848 119.2058 59.4628 30.0041 177.7586 161 Y 3.7337 7.6332 118.9201 60.7246 38.7429 177.8336 162 F 4.4312 8.3321 118.8556 61.0501 39.0512 177.8553 163 L 4.0846 8.1452 118.0867 57.6675 41.5544 179.0358 164 C 3.9530 8.1765 117.1613 62.7793 27.8546 176.3447 165 R 3.5015 7.5690 119.6587 59.2840 29.4347 178.4259 166 A 4.0381 7.9722 119.9210 54.2053 18.4377 178.1292 167 L 4.1903 8.0454 112.8568 53.8574 42.4970 176.3220 168 Q 3.4603 7.4122 117.2126 56.8994 26.6542 174.5457 169 I 4.0563 7.7898 117.7794 60.3539 38.3700 175.3845 170 P 4.5044 0.0000 0.0000 62.2654 32.2094 176.9041 171 L 2.4400 8.5165 121.6103 57.7997 41.2986 178.8869 172 F 3.8090 8.1952 119.8645 61.5105 39.1315 177.1146 173 A 4.3187 8.1962 120.1982 54.6821 18.1742 178.8769 174 W 4.7225 7.6827 111.4648 57.3902 28.9119 177.9817 175 L 3.9978 7.7279 120.9739 57.8269 41.1866 178.7141 176 R 3.8161 7.0994 115.0322 58.2861 30.6447 175.8458 177 F 4.6078 7.9125 115.0613 56.6411 42.5923 172.0764 *180 Y 4.7683 8.2714 121.9695 58.7401 38.6731 175.2281 181 N 4.6947 8.7319 123.4730 53.6125 39.2508 174.1299 182 C 4.5975 6.7423 116.3852 58.0549 30.1248 173.6208 183 G 3.9653 8.5581 109.8828 46.6080 0.0000 173.2920 184 I 5.2438 7.7234 121.0712 59.7378 40.9232 174.6951 185 T 5.2804 9.1210 122.7289 61.6322 72.3065 172.6600 186 W 5.3964 9.9001 135.0000 55.8506 33.4732 174.0511 187 L 5.3844 9.5268 127.9976 53.3693 44.2086 175.9036 188 V 5.0743 8.7720 120.9597 61.5164 35.0196 174.4618 189 L 5.9394 8.8683 129.1704 52.8168 46.1190 174.7015 190 D 5.1745 8.4222 119.3480 52.0199 44.2316 172.1037 *193 G 3.8235 8.4069 101.8377 46.7834 0.0000 172.9863 194 S 4.4336 7.9292 114.3068 57.7895 63.5355 172.9097 195 V 5.0201 8.2292 125.3680 61.6008 35.2188 172.9945 196 V 4.8517 8.9717 127.2173 60.9264 34.5936 173.7160 197 L 5.1651 8.8540 129.5691 53.4688 44.9536 174.9795 198 R 4.8486 9.1493 126.6034 54.7277 31.9870 175.1804 199 E 5.3628 8.8649 123.8861 54.5528 33.0423 175.2209 200 F 4.7835 9.0476 121.2678 56.0386 42.9409 174.5977 201 G 4.0385 7.2750 109.4370 45.9372 0.0000 171.6077 202 S 5.4091 7.9178 112.7235 56.9848 66.4252 174.3143 203 V 4.3866 8.6177 121.2628 61.2329 33.7716 175.7141 204 S 3.6247 9.6582 118.2707 59.8057 60.5986 172.0512 205 H 4.0416 8.1859 111.6889 56.0394 26.7616 174.4002 206 L 4.6692 7.8122 123.3002 52.6442 43.3169 174.1711 207 P 4.9756 0.0000 0.0000 62.8546 32.2498 175.7048 208 F 5.0819 8.6382 116.9500 55.4559 41.8002 172.7428 209 E 4.8535 8.8160 119.8543 54.5132 32.6887 174.7181 210 S 4.6260 8.8273 119.9372 56.5668 66.3457 172.4003 211 V 4.6048 8.3450 126.0509 61.3509 33.4029 174.6326 212 T 4.4932 8.6052 124.1256 61.8487 71.9579 172.2863 213 Y 5.0447 8.5106 123.3279 56.3320 40.1327 175.7732 214 F 4.4196 8.9397 121.6060 57.5938 38.8947 175.8119 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 21 T 8.12 5.05 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 1.23 0.00 0.00 22 K 7.99 4.05 0.00 1.93 1.61 0.00 1.78 0.00 0.00 1.84 0.00 0.00 2.86 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.34 1.07 7.81 23 H 9.55 5.78 0.00 3.53 3.54 0.00 5.72 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 8.82 4.64 1.65 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.46 0.32 0.00 0.00 25 I 8.18 4.97 1.63 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.33 0.70 0.00 0.00 26 L 9.07 5.21 0.00 1.75 1.72 1.41 0.73 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 27 V 8.70 4.89 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 0.97 0.00 0.00 0.86 0.00 0.00 28 R 8.53 4.75 0.00 1.93 1.81 0.00 3.18 0.00 0.00 3.12 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.42 0.00 29 H 8.51 4.50 0.00 3.05 3.16 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 *44 R 8.06 4.12 0.00 1.85 1.82 0.00 3.26 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.23 0.00 45 L 7.41 4.55 0.00 1.60 1.62 0.92 0.96 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 46 T 8.50 3.85 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 1.20 0.00 0.00 47 K 8.35 4.30 0.00 1.63 1.68 0.00 1.91 0.00 0.00 1.74 0.00 0.00 2.78 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 0.94 7.81 48 E 8.87 3.91 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.24 0.00 49 G 7.93 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 C 8.25 4.12 0.00 2.98 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *51 K 7.83 3.92 0.00 1.71 1.82 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.36 7.81 52 Q 8.14 4.11 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.45 2.38 0.00 53 A 8.64 3.95 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 54 D 8.47 4.32 0.00 2.97 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.30 3.62 1.94 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 1.50 0.73 0.84 0.00 0.00 56 T 8.48 3.80 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 1.12 0.00 0.00 57 G 8.23 3.40 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 0.00 58 K 7.10 3.38 0.00 1.78 1.84 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.33 7.81 59 K 7.91 3.97 0.00 1.81 1.74 0.00 1.44 0.00 0.00 1.62 0.00 0.00 3.26 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.14 1.22 7.81 60 L 8.21 3.87 0.00 1.92 1.81 0.85 0.73 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 61 K 8.03 3.79 0.00 1.76 1.83 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.36 7.81 62 D 7.83 4.52 0.00 2.77 2.75 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 63 I 7.91 4.10 2.10 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.50 0.92 0.00 0.00 64 L 8.02 4.41 0.00 1.88 1.63 0.52 -0.56 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 65 N 7.33 4.14 0.00 2.75 2.80 0.00 0.00 7.14 8.59 0.00 0.00 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 N 9.00 4.28 0.00 2.97 2.93 0.00 0.00 6.92 7.61 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 67 K 7.78 4.63 0.00 1.80 1.81 0.00 1.87 0.00 0.00 2.03 0.00 0.00 3.36 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.82 1.52 7.81 68 K 8.52 4.36 0.00 1.49 1.69 0.00 1.79 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.34 1.25 7.81 69 V 8.49 4.57 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 0.50 0.00 0.00 0.39 0.00 0.00 70 S 8.78 4.43 0.00 3.94 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 71 V 7.50 4.70 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.82 0.00 0.00 72 I 8.32 4.74 1.79 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 1.04 0.41 0.88 0.00 0.00 73 Y 9.11 5.19 0.00 2.81 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 74 H 8.63 5.14 0.00 3.30 3.42 0.00 5.45 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 S 8.52 4.85 0.00 4.15 4.10 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 76 D 8.63 4.59 0.00 2.70 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *78 I 7.94 4.22 1.86 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 0.86 0.90 0.00 0.00 79 R 7.95 3.74 0.00 1.90 2.15 0.00 3.00 0.00 0.00 3.35 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.65 0.00 80 A 7.80 3.75 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 81 K 8.04 3.50 0.00 1.94 1.83 0.00 1.83 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.47 1.46 7.81 82 E 8.66 3.85 0.00 2.17 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 83 T 8.22 3.81 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 1.23 0.00 0.00 84 A 8.30 3.98 1.31 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 0.00 0.00 85 N 8.38 4.27 0.00 3.03 2.88 0.00 0.00 6.55 7.28 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 86 I 7.79 3.83 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 1.55 0.59 1.03 0.00 0.00 87 I 8.19 4.13 2.11 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 1.54 0.86 1.03 0.00 0.00 88 S 8.89 4.27 0.00 3.98 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 89 K 7.35 3.88 0.00 1.89 1.78 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.41 1.40 7.81 90 Y 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0.00 1.84 1.80 0.00 1.86 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.37 1.35 7.81 124 I 7.78 3.79 1.85 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 -0.36 0.75 0.00 0.00 125 K 7.67 3.77 0.00 1.97 1.93 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.49 7.81 126 E 7.65 4.00 0.00 2.26 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 2.29 2.49 0.00 127 D 8.46 4.34 0.00 2.88 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 0.00 128 N 8.51 4.26 0.00 2.91 2.83 0.00 0.00 7.32 7.48 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 0.00 129 K 7.99 4.01 0.00 1.82 1.81 0.00 1.86 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.37 1.36 7.81 130 R 7.93 4.08 0.00 1.99 1.97 0.00 3.07 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.76 0.00 131 I 7.63 3.60 1.53 0.00 0.00 0.55 0.00 0.00 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0.00 2.65 2.81 0.00 0.00 6.79 7.68 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 0.00 158 V 7.44 3.20 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 0.38 0.00 0.00 0.78 0.00 0.00 159 I 7.78 3.73 2.06 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 1.51 0.76 1.08 0.00 0.00 160 R 8.08 3.74 0.00 1.97 2.01 0.00 3.09 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.52 0.00 161 Y 7.63 3.73 0.00 2.89 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 0.00 162 F 8.33 4.43 0.00 3.30 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 0.00 163 L 8.15 4.08 0.00 1.70 1.68 0.91 1.03 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 0.00 164 C 8.18 3.95 0.00 2.55 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 0.00 165 R 7.57 3.50 0.00 1.02 1.28 0.00 2.24 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 1.13 0.00 166 A 7.97 4.04 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 0.00 167 L 8.05 4.19 0.00 1.73 1.59 1.01 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 0.00 168 Q 7.41 3.46 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 169 I 7.79 4.06 2.08 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 1.48 0.53 1.23 0.00 0.00 170 P 0.00 4.50 0.00 2.27 2.20 0.00 3.85 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 2.15 1.99 0.00 171 L 8.52 2.44 0.00 1.36 1.44 0.70 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 172 F 8.20 3.81 0.00 3.10 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 0.00 173 A 8.20 4.32 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.68 4.72 0.00 3.57 3.22 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 0.00 175 L 7.73 4.00 0.00 1.49 1.47 0.71 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 176 R 7.10 3.82 0.00 0.99 0.66 0.00 2.21 0.00 0.00 2.68 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.08 0.00 177 F 7.91 4.61 0.00 3.11 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 *180 Y 8.27 4.77 0.00 2.87 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 0.00 181 N 8.73 4.69 0.00 2.88 2.94 0.00 0.00 7.01 7.66 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 0.00 182 C 6.74 4.60 0.00 1.80 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 0.00 183 G 8.56 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 0.00 184 I 7.72 5.24 1.96 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.83 0.90 0.00 0.00 185 T 9.12 5.28 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 1.50 0.00 0.00 186 W 9.90 5.40 0.00 3.44 3.22 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 0.00 187 L 9.53 5.38 0.00 1.79 1.69 1.15 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 188 V 8.77 5.07 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.05 0.00 0.00 189 L 8.87 5.94 0.00 1.66 1.73 1.03 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 190 D 8.42 5.17 0.00 2.40 2.41 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 *193 G 8.41 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 0.00 194 S 7.93 4.43 0.00 3.93 4.06 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 0.00 195 V 8.23 5.02 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 0.81 0.00 0.00 0.87 0.00 0.00 196 V 8.97 4.85 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 0.63 0.00 0.00 1.08 0.00 0.00 197 L 8.85 5.17 0.00 1.98 1.78 1.12 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 198 R 9.15 4.85 0.00 1.79 1.65 0.00 3.13 0.00 0.00 3.17 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.21 0.00 199 E 8.86 5.36 0.00 1.97 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 2.47 2.40 0.00 200 F 9.05 4.78 0.00 2.87 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 201 G 7.28 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 0.00 0.00 0.00 0.00 202 S 7.92 5.41 0.00 3.90 3.72 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 0.00 0.00 0.00 0.00 203 V 8.62 4.39 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 0.71 0.00 0.00 0.93 0.00 0.00 204 S 9.66 3.62 0.00 3.98 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 0.00 205 H 8.19 4.04 0.00 3.39 3.42 0.00 5.73 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 206 L 7.81 4.67 0.00 1.81 1.77 0.96 1.03 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 0.00 207 P 0.00 4.98 0.00 1.99 1.94 0.00 3.73 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 208 F 8.64 5.08 0.00 3.03 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 0.00 209 E 8.82 4.85 0.00 1.85 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 1.81 1.47 0.00 210 S 8.83 4.63 0.00 3.93 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 0.00 211 V 8.34 4.60 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 0.41 0.00 0.00 0.77 0.00 0.00 212 T 8.61 4.49 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 0.92 0.00 0.00 213 Y 8.51 5.04 0.00 2.82 2.91 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 0.00 214 F 8.94 4.42 0.00 2.99 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 * Residues marked with a * may have inaccurate shift predictions.