NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 54 C 4.1630 8.2027 120.8282 59.0401 32.9451 171.3992 *56 V 4.1975 7.9052 119.1253 62.2449 32.0086 172.7705 57 P 5.1280 0.0000 0.0000 61.8102 33.2873 175.5395 58 V 4.0732 8.9857 121.8867 61.1960 34.5999 174.0000 59 V 4.5282 8.1239 128.1462 61.2519 32.8989 174.8926 60 F 4.9212 9.0099 128.0111 55.6593 40.4932 174.8375 61 P 4.6065 0.0000 0.0000 61.7445 31.0928 176.1122 62 G 3.9897 7.2215 108.3014 45.7258 0.0000 171.0806 63 P 4.6370 0.0000 0.0000 62.1124 32.2678 175.7740 64 V 4.4294 8.0412 118.3253 59.8682 34.0452 175.9612 65 S 4.5995 8.0074 115.7578 57.3925 65.8975 174.8994 66 Q 4.0279 8.5520 123.3282 59.3027 28.7062 178.5396 67 E 3.8602 8.0697 120.0703 59.0364 29.8366 178.5051 68 G 3.1776 7.9041 105.9702 48.0603 0.0000 175.1453 69 C 3.7217 7.4146 119.2879 62.2502 28.0261 175.8575 70 C 2.4500 7.3799 119.9080 62.1093 31.0283 175.5976 71 Q 3.8881 7.5910 119.4328 59.0002 28.2384 179.0107 72 F 4.5067 8.0771 119.0866 60.9786 38.9980 177.9228 73 T 4.0066 7.6957 115.0130 66.9360 68.3205 176.7701 74 C 4.1648 8.3529 119.0325 62.7914 28.1830 176.0312 75 E 4.0411 8.6753 120.7029 59.1540 28.9872 179.0469 76 L 4.2681 8.2846 120.4575 58.1964 41.9729 178.6801 77 L 3.9565 7.6429 118.5243 58.3325 42.1162 178.6378 78 K 3.9423 7.8370 116.8280 59.8292 32.2510 178.4993 79 H 4.3460 8.3108 118.3622 58.9613 29.7739 178.4800 80 I 3.4937 7.9101 121.6347 61.1427 36.8729 177.6662 *82 Y 4.4656 7.8645 121.3590 57.8065 40.2386 177.0527 83 Q 3.6737 7.7319 116.8396 58.3800 28.7016 177.5971 84 R 4.4065 7.9520 115.0767 55.3515 30.1693 176.0348 85 Q 3.3227 7.4273 115.3499 57.3317 26.5209 174.3635 86 Q 4.4012 7.8992 114.8387 55.9370 29.7851 175.6432 87 L 4.4397 7.2357 117.4428 51.7681 45.3627 174.9407 88 P 4.4006 0.0000 0.0000 65.1448 31.6847 176.3766 89 L 4.9940 7.5138 115.9442 51.8431 46.0784 174.1097 90 P 4.1635 0.0000 0.0000 62.6123 31.8202 176.8002 91 Y 4.1287 8.9227 123.0791 61.0653 38.9508 178.7731 92 E 3.9766 8.2760 118.3549 59.2605 30.1788 179.1690 93 Q 4.0533 7.9883 117.7174 58.4435 28.3665 178.4213 94 L 3.9730 7.2413 119.2866 57.8132 41.8282 179.3687 95 K 4.0977 7.3025 115.0319 57.7775 32.5494 176.7831 96 H 4.8758 7.6361 119.4818 55.5204 30.3527 174.9808 *119 V 4.1534 7.7581 120.2759 63.1398 33.6596 176.9272 120 S 4.1588 8.1714 115.4518 61.8723 62.5770 176.9259 121 S 4.2048 8.0061 116.1493 61.2405 62.9526 176.5888 122 R 3.8500 7.8781 121.3333 59.0243 29.9698 178.5811 123 K 3.8418 8.0357 119.4255 59.7054 32.1954 178.3580 124 C 4.0209 7.9538 118.5323 62.0381 31.4403 175.2789 125 Q 3.9125 8.1525 121.5437 59.3620 28.4932 178.2084 126 Q 3.9325 7.7455 118.6421 58.8662 29.1573 177.1724 127 A 3.8757 7.3355 120.6232 55.0938 18.4962 178.8429 128 L 4.5358 7.9065 117.3098 57.2935 42.3701 178.3582 129 A 4.0333 8.0800 121.0868 55.6474 18.1009 179.5251 130 E 4.0765 8.3189 116.2883 59.2737 29.6717 178.8874 131 L 3.8017 8.1608 120.0108 58.2364 42.0911 178.5215 132 E 3.9665 8.4280 119.1537 59.2222 29.4947 178.8335 133 S 3.8962 8.0342 113.2146 61.2586 62.5196 175.9166 134 V 3.6052 7.9406 121.1818 66.2199 31.1970 177.7773 135 L 3.9405 7.9931 118.4001 58.0523 41.4938 179.5870 136 S 4.0447 8.0610 112.8293 61.7597 62.2535 175.9364 137 H 4.1858 8.4041 119.2589 58.4959 28.1853 177.8237 138 L 4.4035 8.5643 121.6398 57.8007 41.5003 179.0867 139 E 4.0320 8.3312 118.5644 59.8098 29.2586 179.2850 140 D 4.4302 7.9633 117.2172 57.2418 41.1001 178.3107 141 F 4.3071 8.9091 121.5885 61.5556 39.0927 177.3274 142 F 3.7964 8.9391 117.1426 60.0428 38.4180 177.3034 143 A 3.9110 7.8501 119.0271 54.3253 18.2279 179.0815 144 R 4.0930 7.6991 116.0020 57.5430 30.8690 176.6239 145 T 4.4775 6.3716 110.0655 60.1042 70.5677 173.0894 146 L 4.0525 8.5399 127.0455 55.1602 42.1416 177.5741 147 V 4.4374 8.0388 121.3197 58.8784 32.2072 172.9205 148 P 3.7984 0.0000 0.0000 64.7078 32.3903 176.6402 149 R 5.1458 7.3984 117.2857 54.1988 34.8316 174.4793 150 V 5.0715 9.1000 121.8359 61.2148 34.8573 174.1720 151 L 5.5568 8.7451 125.0129 53.0867 45.8914 175.2527 152 I 5.1311 9.3749 123.8144 59.6094 40.4877 174.5054 153 L 5.2782 9.0754 126.8293 53.0497 45.2036 175.4474 154 L 5.0461 9.8020 125.6336 53.8607 44.6725 178.1504 155 G 4.1620 9.4703 113.5694 44.8496 0.0000 176.9340 156 G 3.7775 8.4893 109.8811 46.2780 0.0000 175.9396 157 N 5.0107 8.0070 123.7050 50.4350 40.4976 174.8041 158 A 4.2923 8.6170 120.3863 55.2847 18.5511 179.0752 159 L 4.1139 7.6025 115.6121 57.1551 42.1698 177.5463 160 S 4.4699 8.3227 113.9411 55.5500 63.0507 171.4610 161 P 5.4772 0.0000 0.0000 62.1128 32.4947 177.0525 162 K 4.2613 8.6799 121.7037 59.4108 32.4200 176.5360 163 E 5.1356 9.0502 116.9906 54.9965 33.3180 173.9959 164 F 5.3603 8.5454 115.2873 55.8144 42.1951 172.6118 165 Y 5.1084 9.8459 117.2604 56.2373 41.7605 174.1971 166 E 5.4034 9.4382 124.1266 54.3666 33.2552 174.0693 167 L 5.1363 8.9701 128.0400 53.4283 44.7773 174.3500 168 D 5.0428 9.5278 127.2539 53.0266 42.2674 176.2966 169 L 4.7373 8.9922 126.1614 54.2205 43.0045 177.9308 170 S 3.8876 8.1260 115.2475 61.5582 62.4972 176.7208 171 L 4.3164 7.9290 117.5466 55.1570 41.3580 176.7724 172 L 4.4960 8.0609 120.4414 53.5104 42.5334 176.5781 173 A 4.0312 8.8125 127.3133 55.3288 19.0384 178.2488 *181 L 4.3704 7.7943 114.4789 55.0081 44.0431 179.0938 182 S 4.0879 8.1232 111.7837 61.8677 62.2101 176.3169 183 T 3.8460 7.8861 117.3132 66.7169 68.4550 176.0227 184 A 4.0150 8.3756 121.9288 55.5928 18.2401 179.4453 185 A 4.0005 7.9661 118.4589 55.5475 18.4385 179.7321 186 C 4.1500 8.0694 115.0391 62.5964 27.9759 176.2999 187 L 4.0461 8.2179 120.8250 57.8026 41.1977 179.5922 188 R 4.0221 7.9542 117.5534 59.3307 30.0552 178.9864 189 R 3.8926 7.9566 118.1567 59.3497 30.1056 178.0471 190 L 3.7750 8.2968 120.3898 58.4745 42.0582 179.1384 191 F 4.2523 8.4518 117.7593 60.1631 38.5668 177.8360 192 R 3.9507 8.3841 118.2331 59.2287 29.9766 177.9291 193 A 4.1706 7.8830 119.3806 55.4555 18.1570 179.1552 194 I 3.8850 7.7145 118.0483 64.5413 37.1138 179.1720 195 F 4.2558 8.3216 118.7470 58.6830 38.9700 176.1854 *197 A 4.0929 7.9205 118.8644 50.0604 20.5100 176.5242 198 D 4.1287 8.0922 114.3947 54.8942 39.9714 173.1962 199 A 3.9199 7.3697 119.5049 52.8015 19.2638 177.1631 200 F 4.4626 8.0482 114.4083 58.3417 36.1479 176.4962 201 S 4.4867 8.1604 112.5053 58.5501 63.6598 173.7907 202 E 4.1383 7.9291 122.3728 56.7038 29.9579 177.6633 203 L 3.9800 8.5853 124.0428 57.5688 42.2087 177.6840 204 Q 3.9652 7.8614 118.2446 55.5034 29.5281 175.1735 205 A 4.2676 8.4646 128.6610 51.2342 18.6464 175.6446 206 P 4.5353 0.0000 0.0000 61.6329 32.3400 174.3532 207 P 4.5236 0.0000 0.0000 61.9978 32.1122 176.0417 208 L 4.0089 8.1859 119.0680 55.0820 42.5331 177.0123 *210 G 3.7558 8.4627 107.3941 46.5698 0.0000 171.5242 211 T 5.2932 9.3411 121.2265 61.6618 71.3239 173.4630 212 V 4.6547 9.2048 126.5330 61.2720 34.1046 175.0925 213 V 4.9911 8.5852 126.1941 60.4586 34.9106 173.6921 *215 A 4.7789 8.1907 123.1555 51.8771 20.0295 175.9367 216 Q 4.5466 8.5638 120.7215 55.7358 30.3696 175.5292 217 G 4.3317 9.1792 109.0891 45.0540 0.0000 171.2420 218 H 3.6458 8.7011 120.3824 55.8151 30.2098 176.2429 219 R 3.9300 8.4261 126.3681 59.6586 29.4208 177.2721 220 N 4.8939 8.2781 112.9245 53.1616 38.6133 176.6438 221 C 4.0048 7.9883 115.4029 59.4486 29.7611 174.9017 222 G 3.8878 7.6734 108.6885 45.4752 0.0000 173.0430 223 E 4.0995 8.1667 120.6061 56.4784 29.7883 176.0664 224 D 5.0638 8.8997 123.5780 52.8972 40.4593 175.9995 225 W 4.5149 8.6884 129.2665 59.8977 31.4284 176.5567 226 F 4.1420 9.4014 116.7475 57.6162 39.2353 174.5720 227 R 4.7521 9.0902 121.6215 53.9000 32.1330 174.3308 228 P 4.0066 0.0000 0.0000 62.6098 32.1854 176.8108 229 K 4.4440 8.8079 122.3092 54.5268 33.0043 177.0594 230 L 3.9938 8.5436 123.9419 57.2553 42.0357 178.2828 231 N 4.9499 7.9261 112.6203 52.8463 38.9600 174.1052 232 Y 4.0137 7.5849 119.6013 58.0081 39.2832 175.9156 233 R 4.5682 6.9221 123.7619 53.6675 34.1426 175.2676 234 V 3.2801 8.2928 120.5997 62.4640 31.8282 174.1870 235 P 4.0943 0.0000 0.0000 63.2090 31.5406 176.1739 236 S 4.6954 8.4303 113.8431 58.1019 64.1735 174.1588 237 R 4.5457 7.9575 120.1058 55.9109 33.0084 175.3222 238 G 3.8361 9.0022 110.1241 45.6307 0.0000 171.9115 239 H 2.8674 8.0274 118.8214 55.9427 29.7098 174.7801 240 K 3.9434 7.3442 127.4437 58.3503 33.0656 177.6604 241 L 4.3384 6.2376 117.5057 54.3908 45.4675 173.3603 242 T 5.1296 8.8110 123.1575 61.8015 71.1848 173.5179 243 V 4.4668 9.0350 126.9882 61.5419 33.7817 174.2835 244 T 4.9717 9.1637 125.1574 61.8573 70.7449 173.2152 245 L 5.0617 8.5995 127.0544 53.1680 43.8886 176.0258 246 S 4.6905 9.0137 116.6523 57.0636 67.1856 173.7982 247 C 4.9890 8.7027 115.9113 59.3693 28.9704 174.7270 248 G 4.0231 8.2412 104.8465 46.2101 0.0000 175.1085 249 R 4.4245 7.4374 114.3990 54.2236 34.1024 174.2636 250 P 4.6767 0.0000 0.0000 61.7653 30.6110 175.1260 251 S 4.5034 8.2638 117.9795 59.7303 66.7066 175.5872 252 I 3.8660 7.6032 119.1293 60.6616 37.7910 175.7443 253 R 3.9984 8.1959 123.5276 56.2077 30.7376 177.0836 254 T 3.8230 8.6670 115.9343 65.1547 68.4741 174.9573 255 T 4.3861 7.7476 110.5167 60.5214 69.2668 175.8220 256 A 3.5848 7.4661 126.9707 55.4806 18.3106 179.5964 257 W 4.8313 7.6638 112.8595 56.5019 29.4630 177.5462 258 E 3.9681 8.3475 122.7109 59.3084 29.1032 177.6235 259 D 4.7687 8.2211 115.5802 54.1900 41.2462 174.7285 260 Y 4.8820 8.0266 118.1873 57.1333 39.0352 174.9354 261 I 4.6913 8.6452 116.3328 58.4191 41.9011 174.5353 262 W 4.7404 8.5742 122.2979 56.8256 30.0824 175.4001 263 F 5.3042 9.6400 122.7055 55.7102 41.5581 174.6370 264 Q 4.7540 9.1871 122.9871 53.8038 31.8853 174.5188 265 A 3.4867 8.8847 128.7613 51.5331 18.4466 176.0723 266 P 4.0038 0.0000 0.0000 64.0414 31.9683 176.6683 267 V 4.4457 6.9378 111.0236 59.6642 34.4833 174.4358 268 T 4.8329 8.2117 117.9298 61.8432 70.7129 173.7347 269 F 4.8224 9.0177 129.3504 57.5595 40.7780 173.8989 270 K 4.4176 7.7021 128.0651 54.3328 33.0463 176.4077 271 G 4.0198 8.6640 114.8835 45.9408 0.0000 172.2676 272 F 5.2297 8.3915 116.3846 55.0726 41.3891 175.0692 273 R 4.1746 8.4896 118.8196 56.5961 30.9958 175.3502 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 54 C 8.20 4.16 0.00 2.87 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 *56 V 7.91 4.20 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 0.90 0.00 0.00 0.89 0.00 0.00 57 P 0.00 5.13 0.00 2.04 1.97 0.00 3.72 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.91 0.00 58 V 8.99 4.07 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.00 0.00 0.73 0.00 0.00 59 V 8.12 4.53 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 0.86 0.00 0.00 0.85 0.00 0.00 60 F 9.01 4.92 0.00 3.04 2.85 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 61 P 0.00 4.61 0.00 2.22 2.18 0.00 4.10 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.03 0.00 62 G 7.22 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 0.00 0.00 0.00 63 P 0.00 4.64 0.00 2.22 2.10 0.00 3.75 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 64 V 8.04 4.43 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 0.92 0.00 0.00 0.88 0.00 0.00 65 S 8.01 4.60 0.00 4.02 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 66 Q 8.55 4.03 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.95 0.00 0.00 0.00 0.00 0.00 2.58 2.64 0.00 67 E 8.07 3.86 0.00 2.05 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 0.00 2.30 2.32 0.00 68 G 7.90 3.18 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 69 C 7.41 3.72 0.00 3.21 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 C 7.38 2.45 0.00 2.16 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 71 Q 7.59 3.89 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.57 0.00 0.00 0.00 0.00 0.00 2.27 2.50 0.00 72 F 8.08 4.51 0.00 3.09 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 73 T 7.70 4.01 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 1.41 0.00 0.00 74 C 8.35 4.16 0.00 2.87 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 75 E 8.68 4.04 0.00 2.36 2.27 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 2.57 2.58 0.00 76 L 8.28 4.27 0.00 2.00 1.95 1.06 0.43 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 77 L 7.64 3.96 0.00 1.83 1.88 0.97 0.69 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 78 K 7.84 3.94 0.00 1.89 1.83 0.00 1.63 0.00 0.00 1.38 0.00 0.00 2.13 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.02 1.40 7.81 79 H 8.31 4.35 0.00 3.37 3.71 0.00 5.79 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 80 I 7.91 3.49 1.71 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.72 0.27 0.00 0.00 *82 Y 7.86 4.47 0.00 2.91 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 83 Q 7.73 3.67 0.00 1.11 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.95 0.00 0.00 0.00 0.00 0.00 1.96 1.35 0.00 84 R 7.95 4.41 0.00 1.89 2.01 0.00 3.62 0.00 0.00 3.66 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.10 0.00 85 Q 7.43 3.32 0.00 2.12 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.39 6.78 0.00 0.00 0.00 0.00 0.00 2.05 2.29 0.00 86 Q 7.90 4.40 0.00 2.23 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.99 6.86 0.00 0.00 0.00 0.00 0.00 2.56 2.42 0.00 87 L 7.24 4.44 0.00 1.63 1.60 1.06 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 88 P 0.00 4.40 0.00 2.22 2.20 0.00 3.32 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 89 L 7.51 4.99 0.00 1.61 1.50 0.93 1.05 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 90 P 0.00 4.16 0.00 1.93 1.63 0.00 3.56 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.65 0.00 91 Y 8.92 4.13 0.00 2.90 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 92 E 8.28 3.98 0.00 2.03 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.31 0.00 93 Q 7.99 4.05 0.00 2.20 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.78 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 94 L 7.24 3.97 0.00 1.58 1.70 1.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 95 K 7.30 4.10 0.00 1.74 1.75 0.00 1.39 0.00 0.00 0.81 0.00 0.00 2.78 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.30 1.32 7.81 96 H 7.64 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0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.66 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 127 A 7.34 3.88 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 L 7.91 4.54 0.00 2.15 1.89 1.25 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 129 A 8.08 4.03 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.32 4.08 0.00 2.34 2.21 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 2.52 2.51 0.00 131 L 8.16 3.80 0.00 1.00 1.72 0.55 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 132 E 8.43 3.97 0.00 2.39 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 2.42 2.56 0.00 133 S 8.03 3.90 0.00 3.97 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 0.00 134 V 7.94 3.61 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 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 S 8.16 4.49 0.00 3.95 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 0.00 202 E 7.93 4.14 0.00 2.13 1.93 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 2.41 2.39 0.00 203 L 8.59 3.98 0.00 1.63 1.71 0.92 0.94 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 0.00 204 Q 7.86 3.97 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.98 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 205 A 8.46 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 0.00 206 P 0.00 4.54 0.00 2.22 2.10 0.00 3.89 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 207 P 0.00 4.52 0.00 2.20 2.10 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 2.00 1.99 0.00 208 L 8.19 4.01 0.00 1.55 1.79 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 *210 G 8.46 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 0.00 211 T 9.34 5.29 4.57 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 1.39 0.00 0.00 212 V 9.20 4.65 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 0.91 0.00 0.00 0.95 0.00 0.00 213 V 8.59 4.99 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 1.09 0.00 0.00 *215 A 8.19 4.78 0.97 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 0.00 216 Q 8.56 4.55 0.00 1.51 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.48 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 217 G 9.18 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 0.00 0.00 0.00 0.00 218 H 8.70 3.65 0.00 2.66 2.89 0.00 5.63 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 0.00 219 R 8.43 3.93 0.00 1.73 2.02 0.00 3.17 0.00 0.00 3.38 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 220 N 8.28 4.89 0.00 2.69 2.79 0.00 0.00 6.82 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 0.00 221 C 7.99 4.00 0.00 3.01 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 0.00 222 G 7.67 3.89 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 0.00 223 E 8.17 4.10 0.00 1.81 1.73 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 2.31 2.83 0.00 224 D 8.90 5.06 0.00 2.88 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 0.00 225 W 8.69 4.51 0.00 3.19 3.41 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 0.00 226 F 9.40 4.14 0.00 2.97 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 0.00 227 R 9.09 4.75 0.00 1.66 1.79 0.00 2.97 0.00 0.00 3.08 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 228 P 0.00 4.01 0.00 1.77 1.52 0.00 3.60 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 2.01 2.09 0.00 229 K 8.81 4.44 0.00 1.63 1.75 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.49 1.41 7.81 230 L 8.54 3.99 0.00 1.64 1.74 0.90 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 0.00 231 N 7.93 4.95 0.00 2.70 2.80 0.00 0.00 6.82 7.46 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 0.00 232 Y 7.58 4.01 0.00 2.89 2.99 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 0.00 233 R 6.92 4.57 0.00 1.54 1.66 0.00 3.26 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.47 0.00 234 V 8.29 3.28 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 0.70 0.00 0.00 1.06 0.00 0.00 235 P 0.00 4.09 0.00 1.31 1.73 0.00 3.08 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.95 0.00 236 S 8.43 4.70 0.00 3.95 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 0.00 237 R 7.96 4.55 0.00 1.80 1.86 0.00 3.20 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 238 G 9.00 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 239 H 8.03 2.87 0.00 2.92 3.09 0.00 5.72 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 240 K 7.34 3.94 0.00 0.79 1.42 0.00 1.83 0.00 0.00 1.45 0.00 0.00 2.76 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.20 1.11 7.81 241 L 6.24 4.34 0.00 1.57 1.54 0.84 0.69 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 0.00 242 T 8.81 5.13 4.30 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 1.27 0.00 0.00 243 V 9.04 4.47 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 0.92 0.00 0.00 0.94 0.00 0.00 244 T 9.16 4.97 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 1.20 0.00 0.00 245 L 8.60 5.06 0.00 1.60 1.63 1.16 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 246 S 9.01 4.69 0.00 3.79 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 0.00 247 C 8.70 4.99 0.00 3.04 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 0.00 248 G 8.24 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 0.00 0.00 0.00 249 R 7.44 4.42 0.00 1.79 1.83 0.00 3.38 0.00 0.00 3.32 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.73 0.00 250 P 0.00 4.68 0.00 2.18 2.11 0.00 3.72 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 1.95 1.98 0.00 251 S 8.26 4.50 0.00 3.83 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 252 I 7.60 3.87 1.91 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.49 0.75 0.00 0.00 253 R 8.20 4.00 0.00 1.75 1.64 0.00 3.13 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 254 T 8.67 3.82 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 255 T 7.75 4.39 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 1.21 0.00 0.00 256 A 7.47 3.58 0.64 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 0.00 257 W 7.66 4.83 0.00 3.36 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 0.00 258 E 8.35 3.97 0.00 2.32 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 0.00 2.36 2.35 0.00 259 D 8.22 4.77 0.00 2.61 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 260 Y 8.03 4.88 0.00 3.15 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 0.00 261 I 8.65 4.69 1.79 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.85 0.89 0.00 0.00 262 W 8.57 4.74 0.00 3.51 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 0.00 263 F 9.64 5.30 0.00 2.70 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 0.00 264 Q 9.19 4.75 0.00 1.92 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.96 0.00 0.00 0.00 0.00 0.00 2.14 2.20 0.00 265 A 8.88 3.49 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 0.00 266 P 0.00 4.00 0.00 1.70 1.58 0.00 2.20 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 267 V 6.94 4.45 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 0.84 0.00 0.00 1.21 0.00 0.00 268 T 8.21 4.83 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 1.26 0.00 0.00 269 F 9.02 4.82 0.00 3.20 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 0.00 270 K 7.70 4.42 0.00 1.64 1.53 0.00 1.82 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.28 1.29 7.81 271 G 8.66 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 0.00 0.00 0.00 272 F 8.39 5.23 0.00 3.15 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 0.00 273 R 8.49 4.17 0.00 1.78 1.80 0.00 3.23 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.55 0.00 * Residues marked with a * may have inaccurate shift predictions.