NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.1588 8.0249 120.7873 60.8094 39.1800 174.6525 3 Q 4.5146 8.4366 124.3483 52.2838 32.1126 173.3589 4 S 4.9742 9.2054 116.4771 56.6867 67.1739 172.9304 5 Q 4.6672 8.6074 120.9227 54.5876 30.4423 175.8455 6 I 4.4675 8.1354 110.3041 60.1084 38.8810 174.5895 7 N 4.8975 7.8379 120.5285 51.2542 40.7630 174.8756 8 R 3.9731 8.5880 123.4956 59.1723 29.5414 178.3272 9 N 4.3631 8.6495 117.4128 55.8373 38.3717 177.3727 10 I 3.6710 7.4412 121.5970 64.6002 37.2642 178.6273 11 R 4.0501 7.8929 118.1438 58.8642 30.0477 178.9100 12 L 4.0360 8.1737 119.2528 57.5985 41.5772 178.9747 13 D 4.3629 8.6437 119.4159 57.2904 40.7328 178.5377 14 L 3.9223 8.0002 120.5375 58.1146 41.9821 178.8297 15 A 4.1429 8.0812 120.6705 55.3613 18.2561 179.3323 16 D 4.2914 8.1182 116.9926 57.4600 40.9138 178.9172 17 A 3.9841 8.0024 121.2453 55.1912 18.3129 179.6468 18 I 3.6678 8.2005 118.7498 64.6598 37.1927 178.7118 19 L 4.0053 8.3135 120.0997 57.5337 41.3317 179.3144 20 L 3.9326 8.1495 120.5269 58.0601 42.0006 178.9296 21 S 4.0209 8.1338 113.0666 61.2849 62.3309 175.8159 22 K 3.7309 8.3146 122.4330 59.6089 31.8432 178.5456 23 A 3.9197 7.9738 120.7509 55.1282 18.1343 179.6846 24 K 3.9018 8.0340 116.0573 59.4305 32.2338 178.9665 25 K 4.1235 8.1245 116.0370 55.8179 32.8973 176.0237 26 D 4.2818 7.5976 118.0822 55.1322 40.0495 172.8984 27 L 4.9104 8.0205 116.3161 52.6952 44.2062 177.4098 28 S 4.6138 8.2434 115.4812 56.9529 66.4265 175.3157 29 F 4.2349 8.3512 121.2347 60.5786 38.6614 177.6868 30 A 4.0601 8.1551 120.0092 55.4908 18.1150 179.4701 31 E 3.9999 8.5151 117.1623 59.4485 29.2367 179.7138 32 I 3.7448 7.4636 118.9353 64.2086 37.3595 177.9319 33 A 4.2491 8.2211 121.3098 53.1255 18.3147 177.0833 34 D 4.2966 7.3197 117.4658 56.2712 41.4624 176.7536 35 G 3.9891 9.1222 114.6870 45.5347 0.0000 173.5741 36 T 4.0684 7.8773 113.8059 61.8579 67.8054 176.1404 37 G 4.0877 8.2854 107.5486 45.8269 0.0000 172.9436 38 L 4.7464 7.0833 118.0084 51.9037 44.7521 176.9896 39 A 4.1918 8.3332 123.1422 52.0000 20.2377 178.7240 40 E 3.9471 8.8987 121.2669 59.7431 29.5283 179.6447 41 A 3.9016 7.9520 121.0833 54.6320 18.4951 179.3267 42 F 3.8817 8.0955 118.8145 61.4071 39.6577 177.5054 43 V 3.6076 8.0786 117.9518 66.2616 31.3263 178.0910 44 T 3.7805 8.1515 115.4309 66.6100 68.2773 176.4795 45 A 3.8535 7.8114 122.4029 54.9206 18.3208 179.5658 46 A 4.1971 7.6193 120.5853 54.8186 18.2283 179.7656 47 L 4.0162 7.7720 116.3271 57.5936 41.7106 178.7728 48 L 4.5367 7.6231 116.4437 54.4102 41.7357 177.4709 49 G 3.9369 8.0945 106.9003 45.5512 0.0000 174.4036 50 Q 4.5351 8.2657 116.1437 55.4078 29.8816 174.8615 51 Q 4.6095 7.4318 116.0224 54.4220 33.7769 172.9816 52 A 4.9020 8.4555 121.9941 50.4971 21.0347 176.5469 53 L 4.6169 8.6729 122.1499 52.9957 43.5292 175.3198 54 P 4.3800 0.0000 0.0000 62.6274 32.2707 177.2634 55 A 4.0438 8.6074 121.9495 55.5727 18.3847 180.0383 56 D 4.3070 8.0775 116.7860 57.3740 40.9971 178.6600 57 A 4.0545 8.0192 120.7532 54.8086 18.4308 179.4565 58 A 3.9346 8.0501 119.4055 55.3630 18.5984 179.7226 59 R 3.8423 8.0415 116.6730 59.6019 30.2371 178.9219 60 L 3.9603 7.7836 119.2602 58.4581 42.1913 179.5327 61 V 3.8376 8.1043 112.2264 64.0825 31.4126 178.8001 62 G 3.6311 8.1489 105.6444 47.2387 0.0000 175.8295 63 A 3.9449 7.9221 122.9123 55.1459 18.2800 179.6255 64 K 3.8498 7.5758 115.0482 59.4711 32.3116 178.6898 65 L 4.3150 7.6730 115.2119 53.5706 42.6431 176.0505 66 D 4.3790 7.8009 117.9534 55.2483 38.7293 173.8718 67 L 4.3419 8.1691 118.0690 54.0082 43.2470 177.8360 68 D 4.7108 8.2421 121.5609 52.8551 42.0533 177.3030 69 E 4.0251 8.5411 118.4682 59.5417 29.3367 179.2841 70 D 4.4153 8.1105 118.5975 57.2706 40.8899 178.8524 71 S 4.1215 8.8986 116.3514 61.6236 62.6377 176.6505 72 I 3.7374 7.4657 121.2344 64.1623 37.1319 177.9926 73 L 4.3278 7.7962 122.3522 57.7225 41.7625 179.0374 74 L 4.0181 7.9105 117.7899 57.8132 41.7619 179.2260 75 L 4.1360 8.0630 118.8317 56.8764 42.8620 177.4958 76 Q 4.9312 7.5851 119.7960 53.7130 27.3946 174.3129 *78 I 4.0190 7.3000 119.3818 60.4169 39.2553 174.9441 79 P 4.7252 0.0000 0.0000 62.2588 32.8976 176.0737 80 L 4.3518 8.2833 123.1077 53.9889 41.6290 176.4922 81 R 4.1406 8.2962 125.1964 55.7952 30.8852 175.1307 82 G 3.0621 8.2986 106.9621 44.8852 0.0000 173.4447 83 C 4.3382 8.2188 122.3171 58.3023 30.7324 174.1572 84 I 4.1296 7.4667 121.8663 60.1657 37.7993 174.8166 85 D 4.4800 8.8944 125.5122 57.1064 41.4754 176.6158 86 D 4.6404 7.2757 115.2794 53.0177 41.4390 173.9331 87 R 4.3057 8.2631 126.6767 56.2955 29.2831 177.0994 88 I 4.0941 7.1896 116.4416 58.2722 39.1345 173.8775 89 P 4.4220 0.0000 0.0000 62.9799 31.7897 176.4000 90 T 4.2370 8.2886 110.9739 62.8973 69.8690 174.9948 91 D 4.4965 7.9772 121.8916 53.2296 42.1590 173.7130 92 P 4.5029 0.0000 0.0000 66.3759 31.4693 178.9715 93 T 3.8069 7.5137 107.9856 65.0105 67.9986 174.2996 *95 Y 4.6030 7.8814 125.1409 57.6691 40.4419 177.3068 96 R 3.9702 8.0134 117.9008 59.2393 30.0365 178.7206 97 F 4.1815 7.9825 116.5199 60.4430 39.2628 176.5321 98 Y 4.1490 7.9395 118.8692 60.2361 38.7097 178.5892 99 E 4.0951 8.0513 122.2949 55.6680 29.4743 178.6269 *101 L 4.2053 7.9407 118.7443 54.6053 43.8020 179.6144 102 Q 3.7698 7.5777 116.3111 58.4670 28.8936 177.9586 103 V 3.6641 7.8844 116.9758 64.7941 32.0016 176.2063 104 Y 4.6329 7.6731 114.3321 57.5936 38.8754 177.5762 105 G 3.6234 8.5014 110.0931 48.1497 0.0000 176.4122 106 T 4.0116 7.8343 111.8485 64.5499 68.8580 176.8270 107 T 3.8973 7.9107 118.3110 66.4370 68.4904 176.3221 108 L 3.9900 8.4549 121.3508 57.5815 41.6522 179.2652 109 K 3.7415 8.1337 119.2468 59.6189 32.1370 178.5644 110 A 4.0327 8.1952 120.8940 55.3313 18.2674 179.6407 111 L 4.0512 8.3591 117.8035 57.5658 41.6484 179.8749 112 V 3.8269 8.1962 118.9069 66.3467 31.1203 177.8413 113 H 4.8868 8.2513 117.3928 58.4058 28.3008 177.4844 114 E 3.9475 8.1376 120.2008 59.2472 29.6015 178.6651 115 K 3.9410 8.2042 117.5612 57.9426 32.1632 177.7926 116 F 4.2714 9.1041 114.9679 60.5424 41.4862 175.9054 117 G 4.1406 8.0021 102.5685 44.1726 0.0000 171.8381 118 D 4.6808 8.4618 119.3892 54.8707 42.4078 175.2669 119 G 4.2364 8.0524 109.9910 45.1530 0.0000 172.6444 120 I 4.8049 8.5680 115.2238 59.3082 41.8632 174.7435 121 I 4.6105 8.1284 123.7238 59.9000 37.9185 175.9447 122 S 4.1924 9.1295 123.1239 58.2389 62.9040 173.6418 123 A 4.0038 8.3939 127.5197 51.8696 19.1902 176.9155 124 I 4.3263 8.0561 117.8593 63.8488 39.2454 176.7872 125 N 4.7810 7.8230 122.1233 51.9337 37.6808 172.0314 126 F 5.3926 7.9637 122.2972 56.4829 42.9163 172.6336 127 K 4.6086 8.2892 124.4476 54.8796 36.1787 174.9579 128 L 5.6808 8.3302 120.4218 53.1917 43.7770 175.0478 129 D 4.7957 8.3630 118.2504 52.0984 43.1566 173.7258 130 V 4.8206 8.3484 119.5873 61.1418 33.8450 174.7104 131 K 4.7116 8.9370 126.6361 54.4286 35.7102 174.8170 132 K 4.8777 8.6434 125.1475 55.3212 33.5109 175.7514 133 V 4.7133 8.6966 119.3392 59.0684 36.3559 174.8925 134 A 4.5132 8.5511 123.4839 52.1260 19.2986 176.6183 135 D 4.6475 8.8138 120.3772 52.4056 42.2357 176.1581 136 P 4.2134 0.0000 0.0000 65.4396 31.4771 176.9086 137 E 4.2679 8.4597 115.7561 55.7456 29.6885 176.1800 138 G 4.0473 8.6117 108.3556 45.6253 0.0000 175.8554 139 G 3.8429 9.2888 108.8376 44.1308 0.0000 171.7228 140 E 5.2116 8.3276 116.7861 54.7931 33.7814 175.4134 141 R 4.8127 9.3256 119.9548 54.4350 34.6364 174.0945 142 A 4.9724 8.5906 123.2562 50.7331 20.9527 177.0036 143 V 4.1914 8.8340 122.9592 61.3699 33.2430 173.9254 144 I 4.8970 8.2981 128.6088 59.9352 38.9614 175.3115 145 T 4.5087 8.7446 124.4306 61.8618 70.5689 173.4136 146 L 4.6500 8.5467 127.1517 53.3077 43.3298 175.9079 147 D 4.6649 8.5639 124.0424 52.3029 43.3633 174.2000 148 G 4.6524 8.4890 111.8792 43.7369 0.0000 170.6362 149 K 4.3042 8.9342 124.8730 56.1881 33.7171 175.2705 150 Y 4.7789 8.6293 128.2690 57.4558 40.1674 173.7179 151 L 4.4687 8.6705 127.5958 52.0161 44.0999 174.4270 152 P 4.6111 0.0000 0.0000 62.8203 32.7531 175.7330 153 T 4.6088 8.5523 118.5231 62.1025 70.1360 174.1837 154 K 4.7226 8.5144 124.7903 53.5332 36.1515 174.4041 155 P 4.4610 0.0000 0.0000 62.7054 31.9799 176.8055 156 F 4.5251 7.6283 113.8963 57.2266 37.9616 174.5612 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 2 I 8.02 4.16 1.88 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 1.42 1.36 0.91 0.00 0.00 3 Q 8.44 4.51 0.00 2.11 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.65 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 4 S 9.21 4.97 0.00 3.91 3.78 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 5 Q 8.61 4.67 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 6 I 8.14 4.47 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 1.30 0.66 0.91 0.00 0.00 7 N 7.84 4.90 0.00 2.76 2.67 0.00 0.00 6.92 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 8 R 8.59 3.97 0.00 2.06 2.29 0.00 3.12 0.00 0.00 3.32 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 9 N 8.65 4.36 0.00 2.90 2.91 0.00 0.00 6.84 7.26 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 10 I 7.44 3.67 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 1.65 0.83 0.91 0.00 0.00 11 R 7.89 4.05 0.00 1.81 1.96 0.00 3.28 0.00 0.00 3.48 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.64 0.00 12 L 8.17 4.04 0.00 1.68 1.70 0.91 0.85 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 13 D 8.64 4.36 0.00 2.87 2.72 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 14 L 8.00 3.92 0.00 1.77 1.84 0.92 1.25 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 15 A 8.08 4.14 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 16 D 8.12 4.29 0.00 2.87 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 A 8.00 3.98 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 I 8.20 3.67 2.11 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.77 0.95 0.00 0.00 19 L 8.31 4.01 0.00 1.84 1.74 0.99 0.77 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 20 L 8.15 3.93 0.00 1.75 1.80 0.92 0.71 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 21 S 8.13 4.02 0.00 3.93 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 K 8.31 3.73 0.00 1.77 1.91 0.00 1.11 0.00 0.00 1.12 0.00 0.00 2.16 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.19 1.28 7.81 23 A 7.97 3.92 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 24 K 8.03 3.90 0.00 1.85 1.88 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.60 7.81 25 K 8.12 4.12 0.00 1.75 1.82 0.00 1.91 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.50 7.81 26 D 7.60 4.28 0.00 2.75 2.65 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 0.00 0.00 0.00 0.00 27 L 8.02 4.91 0.00 1.68 1.43 1.01 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.24 4.61 0.00 4.04 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 29 F 8.35 4.23 0.00 3.14 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 30 A 8.16 4.06 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.52 4.00 0.00 2.00 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 2.33 2.35 0.00 32 I 7.46 3.74 2.05 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 1.43 0.53 0.96 0.00 0.00 33 A 8.22 4.25 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 34 D 7.32 4.30 0.00 2.76 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 35 G 9.12 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 36 T 7.88 4.07 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 1.36 0.00 0.00 37 G 8.29 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 0.00 0.00 0.00 38 L 7.08 4.75 0.00 1.57 1.64 1.03 0.60 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 39 A 8.33 4.19 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 E 8.90 3.95 0.00 2.25 2.28 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 2.38 2.39 0.00 41 A 7.95 3.90 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 42 F 8.10 3.88 0.00 3.17 3.19 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 0.00 43 V 8.08 3.61 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 1.04 0.00 0.00 1.07 0.00 0.00 44 T 8.15 3.78 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 0.43 0.00 0.00 45 A 7.81 3.85 1.19 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 0.00 0.00 0.00 46 A 7.62 4.20 1.19 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 0.00 0.00 0.00 47 L 7.77 4.02 0.00 1.85 1.84 1.15 0.93 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 48 L 7.62 4.54 0.00 1.65 1.63 0.74 0.92 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 49 G 8.09 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 50 Q 8.27 4.54 0.00 1.95 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.56 6.64 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 51 Q 7.43 4.61 0.00 1.36 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.89 0.00 0.00 0.00 0.00 0.00 2.03 1.46 0.00 52 A 8.46 4.90 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.67 4.62 0.00 1.65 1.66 0.95 1.21 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 54 P 0.00 4.38 0.00 2.20 2.00 0.00 3.71 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.14 0.00 55 A 8.61 4.04 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 56 D 8.08 4.31 0.00 2.71 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.02 4.05 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 58 A 8.05 3.93 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 R 8.04 3.84 0.00 2.10 2.02 0.00 3.15 0.00 0.00 3.10 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 60 L 7.78 3.96 0.00 1.93 1.82 0.93 0.84 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 61 V 8.10 3.84 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.02 0.00 0.00 62 G 8.15 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 0.00 0.00 0.00 63 A 7.92 3.94 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 64 K 7.58 3.85 0.00 1.86 1.89 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.75 7.81 65 L 7.67 4.31 0.00 1.73 1.69 0.97 1.01 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 66 D 7.80 4.38 0.00 2.82 2.72 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 67 L 8.17 4.34 0.00 1.59 1.59 0.93 1.00 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 68 D 8.24 4.71 0.00 2.95 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 69 E 8.54 4.03 0.00 2.00 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 0.00 2.40 2.34 0.00 70 D 8.11 4.42 0.00 2.76 2.72 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 71 S 8.90 4.12 0.00 4.01 3.91 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 72 I 7.47 3.74 1.88 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 1.56 0.47 0.97 0.00 0.00 73 L 7.80 4.33 0.00 1.85 1.96 0.93 0.51 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 74 L 7.91 4.02 0.00 1.79 1.72 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 75 L 8.06 4.14 0.00 1.88 1.73 0.93 1.01 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 76 Q 7.59 4.93 0.00 2.32 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.57 0.00 0.00 0.00 0.00 0.00 2.46 2.42 0.00 *78 I 7.30 4.02 1.88 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 1.42 0.84 0.92 0.00 0.00 79 P 0.00 4.73 0.00 2.11 2.05 0.00 3.75 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 80 L 8.28 4.35 0.00 1.81 1.65 0.91 0.93 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 81 R 8.30 4.14 0.00 1.82 1.81 0.00 3.24 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 82 G 8.30 3.06 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 0.00 0.00 0.00 83 C 8.22 4.34 0.00 3.05 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 84 I 7.47 4.13 1.85 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 1.29 0.55 0.89 0.00 0.00 85 D 8.89 4.48 0.00 2.61 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 86 D 7.28 4.64 0.00 2.58 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 R 8.26 4.31 0.00 1.99 2.07 0.00 3.20 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 88 I 7.19 4.09 1.74 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.74 0.59 0.00 0.00 89 P 0.00 4.42 0.00 2.17 2.04 0.00 3.32 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.09 0.00 90 T 8.29 4.24 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 1.19 0.00 0.00 91 D 7.98 4.50 0.00 2.68 2.68 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 92 P 0.00 4.50 0.00 2.26 2.14 0.00 3.69 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 2.13 2.13 0.00 93 T 7.51 3.81 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 1.35 0.00 0.00 *95 Y 7.88 4.60 0.00 3.22 3.23 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 96 R 8.01 3.97 0.00 1.52 1.74 0.00 3.39 0.00 0.00 3.35 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.77 0.00 97 F 7.98 4.18 0.00 3.08 3.14 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 98 Y 7.94 4.15 0.00 2.90 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.05 4.10 0.00 1.95 1.95 0.00 0.00 0.00 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 2.37 0.00 *101 L 7.94 4.21 0.00 1.63 1.58 0.90 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 102 Q 7.58 3.77 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.89 0.00 0.00 0.00 0.00 0.00 1.69 2.28 0.00 103 V 7.88 3.66 1.91 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 0.17 0.00 0.00 0.87 0.00 0.00 104 Y 7.67 4.63 0.00 3.02 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 0.00 105 G 8.50 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.83 4.01 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 107 T 7.91 3.90 4.63 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 1.34 0.00 0.00 108 L 8.45 3.99 0.00 1.84 1.72 0.95 0.78 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 0.00 109 K 8.13 3.74 0.00 1.82 1.99 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.47 1.45 7.81 110 A 8.20 4.03 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 L 8.36 4.05 0.00 1.77 1.75 0.94 0.75 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 0.00 112 V 8.20 3.83 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 1.04 0.00 0.00 0.97 0.00 0.00 113 H 8.25 4.89 0.00 3.26 3.32 0.00 5.68 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 0.00 114 E 8.14 3.95 0.00 1.98 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 115 K 8.20 3.94 0.00 1.57 1.11 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.48 7.81 116 F 9.10 4.27 0.00 2.38 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 0.00 117 G 8.00 4.14 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 0.00 118 D 8.46 4.68 0.00 2.72 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 0.00 119 G 8.05 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 0.00 0.00 0.00 0.00 120 I 8.57 4.80 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.19 0.92 0.00 0.00 121 I 8.13 4.61 1.82 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.68 0.91 0.00 0.00 122 S 9.13 4.19 0.00 3.88 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 0.00 123 A 8.39 4.00 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 0.00 124 I 8.06 4.33 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 1.15 0.97 0.93 0.00 0.00 125 N 7.82 4.78 0.00 2.79 2.74 0.00 0.00 6.53 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 F 7.96 5.39 0.00 3.14 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 0.00 127 K 8.29 4.61 0.00 1.63 1.65 0.00 1.21 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.24 1.16 7.81 128 L 8.33 5.68 0.00 1.72 1.38 1.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 129 D 8.36 4.80 0.00 2.66 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 0.00 130 V 8.35 4.82 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 0.88 0.00 0.00 0.91 0.00 0.00 131 K 8.94 4.71 0.00 1.69 1.65 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.52 1.48 7.81 132 K 8.64 4.88 0.00 1.78 1.72 0.00 1.89 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.47 7.81 133 V 8.70 4.71 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 0.66 0.00 0.00 0.99 0.00 0.00 134 A 8.55 4.51 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 0.00 135 D 8.81 4.65 0.00 2.67 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 P 0.00 4.21 0.00 2.08 2.11 0.00 3.72 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 137 E 8.46 4.27 0.00 2.03 1.98 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 2.31 2.39 0.00 138 G 8.61 4.05 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 0.00 0.00 0.00 139 G 9.29 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 0.00 140 E 8.33 5.21 0.00 1.81 1.82 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 2.21 2.32 0.00 141 R 9.33 4.81 0.00 1.66 1.77 0.00 3.24 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 142 A 8.59 4.97 1.28 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 0.00 0.00 143 V 8.83 4.19 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 0.97 0.00 0.00 0.94 0.00 0.00 144 I 8.30 4.90 2.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.82 1.00 0.00 0.00 145 T 8.74 4.51 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 1.18 0.00 0.00 146 L 8.55 4.65 0.00 1.66 1.99 1.02 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 147 D 8.56 4.66 0.00 2.65 2.42 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 0.00 148 G 8.49 4.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 K 8.93 4.30 0.00 1.92 1.70 0.00 1.56 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.44 7.81 150 Y 8.63 4.78 0.00 2.63 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 0.00 151 L 8.67 4.47 0.00 1.45 1.39 0.87 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 152 P 0.00 4.61 0.00 2.01 1.95 0.00 3.44 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 1.85 1.81 0.00 153 T 8.55 4.61 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 154 K 8.51 4.72 0.00 1.73 1.70 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.45 7.81 155 P 0.00 4.46 0.00 2.01 1.90 0.00 3.64 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.05 0.00 156 F 7.63 4.53 0.00 3.09 2.93 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 * Residues marked with a * may have inaccurate shift predictions.