NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 Q 4.2237 8.2033 121.9332 55.9369 30.7587 173.5185 13 F 4.9502 8.6428 125.0306 55.5861 40.7568 174.1563 14 L 4.3003 9.2511 125.5104 55.5529 42.9710 176.7856 15 R 5.2672 8.5758 122.6515 54.6756 33.7701 172.5637 16 T 4.0987 8.4399 108.0118 63.2832 69.7315 173.7113 17 D 4.4470 9.5256 120.6869 55.6588 39.0797 173.3252 18 D 4.8973 7.8062 118.2072 52.7106 43.4592 175.7583 19 E 4.4494 8.7521 122.9894 56.3501 30.4778 176.0983 20 V 4.9928 9.5401 118.7844 59.4510 36.3187 175.1985 21 V 4.7553 8.6172 116.1474 59.5558 34.7730 174.9258 22 L 4.8772 8.7583 128.0999 55.0704 42.6333 176.4755 23 Q 5.4328 9.5827 124.9603 54.1180 32.4329 170.5384 24 C 4.8085 9.2610 117.3654 57.9188 33.7863 173.1783 25 S 5.2147 8.2203 116.4409 57.1889 64.9039 172.2914 26 A 4.5589 8.6261 125.5258 51.4684 22.9473 175.9950 27 T 4.5369 8.6399 119.2359 61.3641 69.2037 171.9259 28 V 4.2760 8.6032 122.4985 60.5820 34.5192 173.1932 29 L 4.5608 7.6002 119.5077 54.8033 43.9103 177.0023 *31 E 4.1455 8.0764 119.5724 56.8856 31.5999 180.5975 32 Q 4.6274 8.7335 126.3670 54.3392 29.0640 171.7938 33 L 4.6301 9.3118 127.4751 52.6897 44.5751 176.9554 34 K 5.1686 8.1787 125.9925 53.0334 31.2686 174.4987 35 L 4.5038 7.8330 125.8835 54.2666 43.6956 175.6821 36 C 5.3901 8.9812 116.4683 55.9214 33.4774 173.0962 37 L 4.3378 9.3610 123.5262 55.8056 42.7559 175.6974 38 A 4.9148 8.7401 126.3334 50.2982 22.8244 174.6425 39 A 4.5376 8.5386 123.7027 51.2305 23.0021 176.0874 40 E 4.4091 8.7861 117.7316 54.0068 32.6386 173.5519 41 G 4.1799 8.1483 109.4322 45.1799 0.0000 174.7804 42 F 4.7972 7.0332 114.6286 55.5079 37.4286 174.4094 *45 R 4.2482 7.6811 120.0848 57.2441 31.8250 177.7313 46 L 4.4023 8.4319 119.9256 55.3922 41.3071 176.9208 47 C 4.5036 9.0510 121.5522 59.8990 29.6176 173.0190 48 F 5.5231 8.3556 118.8959 55.3245 40.9863 173.4852 49 L 5.3425 9.0846 119.1228 54.2180 45.5739 176.4920 50 E 4.9403 9.1736 120.9664 54.1670 32.9646 172.0315 51 P 5.2342 0.0000 0.0000 61.2313 33.2292 175.2402 52 T 4.6694 7.9398 111.3511 59.3873 71.2657 171.6108 *60 P 4.1484 0.0000 0.0000 62.7169 32.1997 174.8120 61 D 4.7414 8.2808 118.6284 52.9587 43.0945 176.6916 62 L 3.7354 8.5210 127.0172 56.6577 41.6222 175.4918 63 A 3.9494 8.3797 121.9084 56.4535 18.5526 179.5427 64 I 4.2001 7.5316 112.0403 61.4197 36.0501 179.3956 65 C 4.6517 7.1518 114.4955 61.2054 29.1264 173.9585 66 C 4.4410 7.8416 121.0936 59.1885 32.1463 172.7936 67 F 5.2666 9.5588 124.5799 55.7653 43.0147 173.7991 68 T 4.9492 8.7486 112.1324 60.0074 70.9672 173.9347 69 L 4.4164 8.5779 126.1171 54.6037 40.6606 177.3171 70 E 4.1202 9.4171 127.8801 59.3735 30.3441 177.2151 71 Q 4.7375 7.8819 117.7798 54.2735 33.1744 175.5363 72 S 4.8900 8.7901 114.4474 56.8918 63.5221 172.6707 73 L 4.8633 8.6854 125.2181 52.3361 44.7932 176.2036 74 S 4.3312 8.3853 115.4807 57.5908 63.5452 175.2554 75 V 3.5650 8.3920 125.8427 66.8932 30.9545 179.1842 76 R 4.0079 7.8188 118.5418 61.0130 28.7976 179.8188 77 A 4.3507 7.6733 119.2261 53.8615 18.5324 179.2512 78 L 3.7918 7.7603 122.0167 58.7125 42.2494 179.5819 79 Q 3.9005 7.4986 119.2303 60.2159 27.7842 180.2202 80 E 4.2023 7.9373 118.7815 59.3802 29.5981 178.8484 81 M 4.1607 7.2047 118.8010 57.9951 32.1038 178.0761 82 L 4.2044 7.3652 116.7939 56.1660 42.1060 178.5545 83 A 4.2775 7.5689 122.6316 54.5437 18.6142 177.4304 *98 H 4.4327 7.8707 112.4824 54.4230 28.6785 175.6494 99 R 4.7879 8.8787 122.9916 53.5824 31.9587 175.9244 100 T 4.3887 8.3849 119.2067 63.3812 69.4791 174.2062 101 L 4.1480 8.7951 126.9123 54.7576 42.9303 176.0950 102 L 5.1346 8.1149 122.7205 52.6266 45.5471 175.6739 103 Y 3.9939 8.8271 120.9138 59.7394 38.2408 177.2399 104 G 4.1572 9.2912 113.0450 45.3373 0.0000 172.4792 105 H 5.0217 7.9200 114.8773 53.6354 31.9608 173.3618 106 A 5.1283 8.7791 123.9603 51.2577 20.3130 176.4279 107 I 5.4090 9.2087 116.4523 58.3960 40.8854 174.2819 108 L 4.3329 8.2620 125.9999 53.3103 44.0871 174.6661 109 L 5.0342 8.4370 126.3637 53.1544 44.1476 175.1291 110 R 4.5474 8.4553 125.6459 54.3785 31.4414 175.0813 111 H 3.9344 9.3380 127.0508 56.5390 30.6140 175.8501 112 A 3.7649 7.6031 127.0848 55.6432 18.1018 178.7839 113 H 4.1269 7.9012 113.5670 59.0818 30.0020 176.3032 114 S 4.3297 8.3323 114.3439 58.6639 63.5796 175.7884 115 R 3.8590 7.7608 116.6152 56.2583 27.1116 181.1877 116 M 4.5326 7.3285 117.9591 55.9813 34.3194 174.3657 117 Y 5.0867 8.8652 117.2241 56.0188 40.9893 175.5269 118 L 4.7209 8.8045 127.0695 55.2796 42.5504 176.0271 119 S 5.1011 9.1778 120.1216 56.9336 67.5511 172.3899 120 C 4.6843 8.5979 121.1748 58.1784 31.4163 173.3248 121 L 4.3165 8.6645 129.5789 55.1761 42.6332 177.6942 122 T 4.4611 8.2750 111.1344 61.4308 69.5064 172.5715 123 T 4.9314 7.9948 112.0032 61.2139 72.4911 173.5334 124 S 4.5334 7.7793 121.0023 58.0047 64.1036 175.3191 *131 L 4.2336 8.1827 125.6394 54.5677 43.4336 175.7425 132 A 4.5943 7.1994 119.3515 50.1909 22.1967 174.8402 133 F 4.9333 8.5178 120.4554 56.6303 41.0901 175.5422 134 D 4.9520 9.7053 122.1027 54.4287 42.5207 175.4158 135 V 4.7955 8.4474 120.2090 61.5616 34.3802 174.6712 136 G 4.5281 8.4291 113.2891 45.6723 0.0000 170.8375 137 L 5.3533 8.0066 121.1963 54.4199 43.6069 177.3943 138 Q 4.6062 9.3621 124.0771 54.6424 32.8211 175.7687 139 E 4.7225 8.9826 120.7390 55.8470 28.8275 175.3926 140 D 4.7454 7.8198 118.9815 52.0780 41.4298 179.2698 141 A 3.4669 8.3644 130.7123 53.6349 18.7137 178.2666 142 T 4.0038 6.9842 108.8023 62.7611 68.1495 178.9257 143 G 4.3809 8.5448 112.2126 42.2584 0.0000 173.0016 144 E 4.1854 8.6164 119.3897 57.6877 30.0671 179.2233 145 A 3.9934 7.7963 121.5471 54.4102 18.6160 178.9540 146 C 4.3685 7.9477 111.7252 61.0487 29.1176 173.5441 147 W 5.0130 7.7423 120.5247 55.2741 30.7998 175.5282 148 W 5.5059 9.0455 123.1128 55.1039 32.5983 174.4390 149 T 4.9083 9.3803 115.7846 61.3199 70.2569 173.7273 150 M 4.9987 8.8005 125.2630 55.1005 33.8374 175.0471 151 H 5.5341 9.6434 120.0254 53.3391 33.5611 171.2095 152 P 4.5896 0.0000 0.0000 63.2200 31.6945 175.9474 153 A 4.3345 8.1330 124.4038 54.6403 19.1789 178.3647 154 S 4.2240 8.1340 110.4976 58.8792 63.4017 175.1686 155 K 4.6092 8.1307 129.1366 52.6154 30.5812 176.7232 *157 R 4.3002 7.6280 121.0778 55.7431 30.8665 176.0031 158 S 4.7129 8.3976 115.6292 55.3515 66.4361 173.1922 159 E 4.1505 8.5348 120.4208 58.1655 29.5785 176.1648 160 G 4.2302 9.0774 111.0831 45.7128 0.0000 174.1248 161 E 4.3210 7.7984 117.3486 55.9769 30.7689 177.1664 162 K 4.5338 8.5869 121.1184 56.6229 33.2094 176.7078 163 V 4.0185 9.0391 126.9804 62.8267 32.7039 176.0627 164 R 5.0184 8.5951 128.0919 54.9013 32.3534 172.6304 165 V 3.6484 8.1495 119.6903 64.8897 31.8818 176.8334 166 G 4.0111 8.9035 115.3396 45.1987 0.0000 173.3571 167 D 4.5408 7.2666 118.2382 54.2716 41.1618 175.4805 168 D 4.8998 8.6445 122.7101 53.9131 42.3214 175.2935 169 L 5.3128 9.1783 123.7246 53.0468 45.5837 175.4186 170 I 4.8610 9.1912 123.7532 60.0550 39.3394 174.5234 171 L 5.3567 8.9212 126.8717 53.0555 44.3034 175.3093 172 V 4.9432 9.0574 124.6537 60.7280 34.2691 174.6297 173 S 3.4402 9.0953 124.0388 58.2306 62.4352 175.0656 174 V 3.5890 7.9031 127.9639 66.1423 31.5671 177.7808 175 S 4.1189 8.0259 115.2595 60.9219 63.1719 175.7277 176 S 4.4122 7.3472 112.8866 56.6773 63.6107 174.3057 177 E 3.7526 8.0431 119.2356 57.2541 27.5560 174.1293 178 R 4.0629 7.0498 116.6512 54.9913 32.7991 175.1171 179 Y 5.1595 8.6285 119.3858 56.7993 39.9766 174.9414 180 L 4.4502 8.9213 125.9494 55.8652 42.6272 175.7038 181 H 5.1787 9.7871 126.5682 54.3221 33.6361 171.6884 182 L 4.8049 8.2124 127.7206 52.6952 42.5312 176.0005 183 S 4.7729 8.8744 130.8721 57.4697 64.4864 175.8220 *187 G 3.6746 8.7810 106.1496 45.5414 0.0000 172.6608 188 E 4.1098 8.4074 119.3369 55.3732 29.2843 180.6474 189 L 4.3230 8.5098 128.5825 53.7594 39.3497 173.4512 190 Q 5.0817 8.7463 125.7711 53.0837 32.4550 173.4010 191 V 5.0058 7.8548 118.3310 61.1377 33.4071 174.6937 192 D 5.0920 9.3102 124.3699 51.6711 44.0090 173.5431 193 A 5.4718 9.4412 120.8152 50.7896 21.0335 176.0400 194 S 4.7806 8.6515 116.3751 57.8889 66.8106 174.4436 195 F 5.0063 8.9054 116.3583 58.4071 39.2755 175.7823 196 M 4.3394 7.5134 121.1081 54.0239 32.1681 176.2719 197 Q 4.3442 8.2204 122.1015 55.9034 29.9680 175.4294 198 T 4.5031 8.0684 114.6302 61.6416 72.2325 173.7253 199 L 4.4514 8.2452 126.0633 54.3868 42.5341 176.3233 200 W 5.0243 9.4702 123.6465 54.9645 32.8329 174.1538 201 N 5.4064 9.7255 121.3741 52.0000 40.8626 174.0493 202 M 4.9671 8.8872 125.0470 54.5751 33.5766 175.2047 203 N 4.9737 8.8111 124.3613 50.3410 39.9075 171.1344 204 P 5.3061 0.0000 0.0000 61.4067 31.7711 175.9491 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 12 Q 8.20 4.22 0.00 2.10 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.90 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 13 F 8.64 4.95 0.00 3.08 2.92 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 14 L 9.25 4.30 0.00 1.61 1.60 0.95 1.08 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 15 R 8.58 5.27 0.00 1.57 1.65 0.00 3.27 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 1.46 1.41 0.00 16 T 8.44 4.10 4.27 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 1.25 0.00 0.00 17 D 9.53 4.45 0.00 2.68 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 18 D 7.81 4.90 0.00 2.73 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 19 E 8.75 4.45 0.00 1.91 1.88 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 2.35 2.32 0.00 20 V 9.54 4.99 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 0.75 0.00 0.00 1.04 0.00 0.00 21 V 8.62 4.76 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 0.76 0.00 0.00 1.00 0.00 0.00 22 L 8.76 4.88 0.00 1.46 1.48 0.58 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 23 Q 9.58 5.43 0.00 1.65 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.57 0.00 0.00 0.00 0.00 0.00 2.17 2.13 0.00 24 C 9.26 4.81 0.00 2.39 2.17 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 25 S 8.22 5.21 0.00 3.39 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 26 A 8.63 4.56 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 27 T 8.64 4.54 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 1.21 0.00 0.00 28 V 8.60 4.28 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 0.91 0.00 0.00 0.93 0.00 0.00 29 L 7.60 4.56 0.00 1.56 1.66 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 *31 E 8.08 4.15 0.00 1.68 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 2.21 1.90 0.00 32 Q 8.73 4.63 0.00 1.83 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.73 0.00 0.00 0.00 0.00 0.00 2.27 1.96 0.00 33 L 9.31 4.63 0.00 1.66 1.57 0.92 0.67 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 34 K 8.18 5.17 0.00 1.42 1.69 0.00 1.85 0.00 0.00 1.78 0.00 0.00 2.77 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.35 0.85 7.81 35 L 7.83 4.50 0.00 1.59 1.64 0.90 0.78 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 36 C 8.98 5.39 0.00 3.16 3.02 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 37 L 9.36 4.34 0.00 1.81 1.58 0.61 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.74 4.91 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.54 4.54 1.08 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 40 E 8.79 4.41 0.00 1.97 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 2.12 1.83 0.00 41 G 8.15 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 F 7.03 4.80 0.00 3.11 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *45 R 7.68 4.25 0.00 1.55 1.89 0.00 3.25 0.00 0.00 3.34 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.24 0.00 46 L 8.43 4.40 0.00 1.56 1.70 0.96 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 47 C 9.05 4.50 0.00 2.86 2.86 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 48 F 8.36 5.52 0.00 3.13 3.15 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 49 L 9.08 5.34 0.00 1.59 1.63 1.04 0.90 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 50 E 9.17 4.94 0.00 1.61 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 51 P 0.00 5.23 0.00 2.08 2.09 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 1.97 1.98 0.00 52 T 7.94 4.67 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 *60 P 0.00 4.15 0.00 2.23 2.18 0.00 3.71 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.97 0.00 61 D 8.28 4.74 0.00 2.70 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.52 3.74 0.00 1.61 1.66 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 63 A 8.38 3.95 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 64 I 7.53 4.20 1.87 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 1.43 1.48 0.91 0.00 0.00 65 C 7.15 4.65 0.00 2.89 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 66 C 7.84 4.44 0.00 2.96 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 67 F 9.56 5.27 0.00 2.92 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 68 T 8.75 4.95 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 1.16 0.00 0.00 69 L 8.58 4.42 0.00 1.66 1.68 0.94 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 70 E 9.42 4.12 0.00 2.01 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 0.00 2.38 2.32 0.00 71 Q 7.88 4.74 0.00 1.72 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.66 0.00 0.00 0.00 0.00 0.00 2.25 1.91 0.00 72 S 8.79 4.89 0.00 3.86 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 73 L 8.69 4.86 0.00 1.40 1.41 0.64 1.19 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 74 S 8.39 4.33 0.00 3.75 3.64 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 83 A 7.57 4.28 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 *98 H 7.87 4.43 0.00 2.97 2.98 0.00 7.17 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 R 8.88 4.79 0.00 1.80 2.05 0.00 2.76 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 100 T 8.38 4.39 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 1.17 0.00 0.00 101 L 8.80 4.15 0.00 1.77 1.49 0.90 0.28 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 0.00 102 L 8.11 5.13 0.00 1.33 1.65 0.84 0.87 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 0.00 103 Y 8.83 3.99 0.00 3.06 2.92 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 0.00 104 G 9.29 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 H 7.92 5.02 0.00 3.34 3.33 0.00 5.80 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 0.00 106 A 8.78 5.13 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 0.00 107 I 9.21 5.41 1.90 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 1.28 1.78 0.97 0.00 0.00 108 L 8.26 4.33 0.00 0.27 1.22 -0.16 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 109 L 8.44 5.03 0.00 1.43 1.40 0.41 0.76 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 0.00 110 R 8.46 4.55 0.00 1.55 1.60 0.00 2.83 0.00 0.00 2.90 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.80 0.00 111 H 9.34 3.93 0.00 3.08 3.06 0.00 5.63 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 0.00 112 A 7.60 3.76 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 H 7.90 4.13 0.00 3.18 3.32 0.00 5.72 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 0.00 114 S 8.33 4.33 0.00 4.06 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 R 7.76 3.86 0.00 2.01 1.93 0.00 3.15 0.00 0.00 3.88 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.16 0.00 116 M 7.33 4.53 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.55 0.00 117 Y 8.87 5.09 0.00 2.92 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 0.00 118 L 8.80 4.72 0.00 1.55 1.43 0.61 -0.19 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 0.00 119 S 9.18 5.10 0.00 3.92 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 0.00 120 C 8.60 4.68 0.00 2.42 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 0.00 121 L 8.66 4.32 0.00 1.78 1.64 1.00 0.89 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 0.00 122 T 8.28 4.46 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 1.21 0.00 0.00 123 T 7.99 4.93 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 1.26 0.00 0.00 124 S 7.78 4.53 0.00 3.82 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 *131 L 8.18 4.23 0.00 1.57 1.65 0.89 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 132 A 7.20 4.59 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 0.00 133 F 8.52 4.93 0.00 3.05 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 D 9.71 4.95 0.00 2.74 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 0.00 135 V 8.45 4.80 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 0.95 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0.00 0.00 0.00 0.00 0.00 170 I 9.19 4.86 2.19 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.02 1.22 0.00 0.00 171 L 8.92 5.36 0.00 1.55 1.64 0.52 0.80 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 0.00 172 V 9.06 4.94 2.23 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 0.78 0.00 0.00 1.11 0.00 0.00 173 S 9.10 3.44 0.00 2.83 3.47 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.90 3.59 2.17 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 0.72 0.00 0.00 0.93 0.00 0.00 175 S 8.03 4.12 0.00 3.86 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 0.00 176 S 7.35 4.41 0.00 4.00 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 0.00 177 E 8.04 3.75 0.00 2.20 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.22 0.00 178 R 7.05 4.06 0.00 1.66 1.78 0.00 3.21 0.00 0.00 3.05 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.09 0.00 179 Y 8.63 5.16 0.00 3.05 3.03 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 0.00 180 L 8.92 4.45 0.00 1.38 1.57 0.04 -1.07 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 0.00 181 H 9.79 5.18 0.00 3.48 3.50 0.00 5.82 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 L 8.21 4.80 0.00 1.53 1.34 0.88 0.70 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 0.00 183 S 8.87 4.77 0.00 3.96 3.47 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.78 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 0.00 188 E 8.41 4.11 0.00 2.00 1.79 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 2.23 1.87 0.00 189 L 8.51 4.32 0.00 1.66 1.53 0.92 0.73 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 0.00 190 Q 8.75 5.08 0.00 1.74 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.72 0.00 0.00 0.00 0.00 0.00 2.18 2.14 0.00 191 V 7.85 5.01 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 0.95 0.00 0.00 1.05 0.00 0.00 192 D 9.31 5.09 0.00 3.05 2.88 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 0.00 193 A 9.44 5.47 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.65 4.78 0.00 3.87 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 0.00 195 F 8.91 5.01 0.00 3.19 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 0.00 196 M 7.51 4.34 0.00 2.08 1.83 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.49 0.00 197 Q 8.22 4.34 0.00 1.95 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.70 0.00 0.00 0.00 0.00 0.00 2.13 2.26 0.00 198 T 8.07 4.50 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 199 L 8.25 4.45 0.00 1.39 1.56 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 200 W 9.47 5.02 0.00 3.19 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 0.00 201 N 9.73 5.41 0.00 2.84 2.74 0.00 0.00 6.76 6.43 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 0.00 202 M 8.89 4.97 0.00 1.86 2.02 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.46 0.00 203 N 8.81 4.97 0.00 2.42 2.69 0.00 0.00 6.53 7.84 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 0.00 204 P 0.00 5.31 0.00 2.17 2.06 0.00 3.37 0.00 0.00 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.91 0.00 * Residues marked with a * may have inaccurate shift predictions.