NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2761 8.1593 117.3737 63.5585 69.8359 173.2514 2 S 4.4819 8.2433 119.7722 55.7749 65.3116 173.2126 3 K 4.0322 9.3749 122.4982 59.6146 32.8567 179.8775 4 K 3.8656 8.0459 118.2124 59.5286 31.8526 178.9660 5 K 4.0587 7.8633 117.7641 58.5672 32.1303 177.8300 6 R 4.4143 7.4150 116.0644 56.6350 30.8507 177.7295 7 Q 4.1337 7.9260 119.5303 57.3670 28.4359 176.1630 8 R 4.0317 7.5895 118.7035 58.7372 30.1815 176.4071 9 G 4.1048 9.0682 111.6098 45.4543 0.0000 174.2253 10 S 4.1578 8.3160 113.6028 58.8234 63.3751 174.2107 11 R 4.1644 7.9690 124.6331 57.1645 29.1844 176.5468 12 T 4.2594 7.6250 104.9428 61.5177 69.6293 174.2498 13 H 4.5837 8.3451 118.1658 56.0452 26.9024 175.6758 14 G 3.9152 8.4805 104.6071 45.9173 0.0000 174.9103 15 G 3.8470 8.2927 107.6353 45.1875 0.0000 176.2195 16 G 3.9076 7.8838 106.6181 44.8199 0.0000 173.9761 17 S 4.1089 8.6660 116.9978 58.8004 62.6138 174.9518 18 H 4.2917 8.9532 121.5449 57.2080 28.0848 175.7386 19 K 4.1180 7.6432 118.9281 56.9452 31.9898 177.5106 20 N 4.3402 7.8973 117.7717 55.8837 39.1220 177.2127 21 R 4.4598 7.4736 120.1861 56.4139 29.0786 177.2392 22 R 4.4651 7.6787 121.4379 56.1605 30.8268 180.1139 23 G 4.1582 8.6173 122.5578 45.2004 0.0000 173.5910 24 A 4.1186 8.6699 121.2581 54.6128 18.9016 180.3484 25 G 3.5973 8.1277 105.0824 48.8078 0.0000 174.9884 26 H 4.4555 8.2149 118.1712 57.8545 29.8275 175.7150 27 R 4.4299 8.1727 117.4033 55.7629 30.5193 176.4126 28 G 4.2571 8.9372 105.1852 46.7781 0.0000 173.7781 29 G 4.1746 7.2581 105.3496 43.2299 0.0000 174.7052 30 R 4.0094 8.7290 121.3081 56.9607 31.7974 176.1012 31 G 3.8649 8.2046 114.0777 47.4718 0.0000 173.4857 32 D 4.7618 8.6860 123.5367 53.5479 40.7670 175.5055 33 A 4.0350 7.5262 122.1485 53.9749 18.7998 178.7289 34 G 3.8203 8.9588 108.9152 46.2421 0.0000 175.4761 35 R 3.9603 7.7737 116.2148 57.2544 29.3174 177.2402 36 D 5.0084 7.9195 116.0636 52.7430 41.2947 176.2718 37 K 4.2423 8.5985 118.2461 56.9793 32.2702 177.7948 38 H 4.5947 9.7117 125.6087 58.2219 29.5327 176.3641 39 E 4.7012 7.2248 118.1708 55.6551 30.2794 177.1650 40 F 5.0446 8.5249 115.9936 59.4478 38.0496 175.4641 41 H 3.5489 6.4805 116.3640 57.3418 28.9416 174.3025 42 N 4.2208 8.7662 119.1140 54.8374 35.9152 174.0056 43 H 4.9399 7.8987 112.1088 53.6484 32.9119 173.9720 44 E 4.2031 8.7029 122.5558 55.4672 30.0270 175.3324 45 P 4.4626 0.0000 0.0000 62.3131 32.1004 176.2316 46 L 4.0775 8.1446 119.9925 55.1781 42.1854 175.8087 47 G 4.0999 8.2622 105.8645 44.1381 0.0000 173.5568 48 K 4.5332 8.1922 118.7928 54.9534 33.9959 176.7972 49 S 4.3230 8.3281 115.5446 58.0641 64.9790 175.2195 50 G 3.9992 9.1236 118.8869 45.2806 0.0000 171.5337 51 F 4.9834 8.1070 112.8692 55.4930 40.9846 173.3413 52 K 4.3966 8.4546 119.5803 54.5165 34.9258 176.2756 53 R 4.6156 8.1720 120.9490 53.9548 31.6932 174.8120 54 P 4.2930 0.0000 0.0000 63.2646 32.0328 176.8370 55 Q 3.9470 9.0766 122.0252 59.2197 28.6835 179.3144 56 K 4.5353 7.9274 113.7366 57.1828 32.5544 177.2465 57 V 4.3625 7.8542 117.0261 62.8893 32.9219 175.1926 58 Q 4.4381 7.8758 118.0540 55.5290 29.6673 174.8393 59 E 4.5164 8.5507 121.5800 54.6420 31.6215 175.0788 60 E 4.4917 8.3419 122.9802 54.2329 31.9242 174.5462 61 A 4.0026 8.3358 128.8543 51.2498 20.0101 176.3906 62 A 4.4996 8.6333 124.0916 50.8456 20.2418 176.5489 63 T 5.4540 8.0776 111.5695 60.5622 71.7558 173.9308 64 I 4.3699 7.7191 119.7613 60.3824 41.5537 173.2291 65 D 5.2019 8.6033 128.5885 53.4643 42.2846 177.7949 66 V 3.6344 8.5239 116.3934 64.7432 31.5387 178.7511 67 R 3.8790 7.7965 118.0683 59.7461 29.4960 177.9329 68 E 3.8598 7.8875 117.7179 59.5253 29.9692 178.2016 69 I 3.7052 7.8110 119.0890 64.8908 36.9787 177.3810 70 D 4.3153 8.4002 118.5407 57.7873 41.1543 178.3057 71 E 4.2348 8.1471 117.0532 57.9552 29.6467 177.1974 72 N 4.9843 7.9579 115.7218 52.4624 39.9780 176.3831 73 V 3.2834 7.9477 114.3790 64.8489 31.4759 178.1054 74 T 3.9088 7.5042 108.6666 64.8204 68.6014 176.2295 75 L 3.9414 7.8702 122.0549 56.4830 41.9635 177.8666 76 L 4.4521 7.9312 119.2933 54.4481 42.0105 178.5935 77 A 3.7832 7.7932 123.7830 55.0982 18.7878 179.4652 78 A 4.2594 7.3640 117.4816 52.5778 18.2269 176.7038 79 D 4.9393 7.8664 117.4980 53.7177 45.4075 175.2517 80 D 4.4839 8.7326 120.5079 54.9985 41.9851 176.1619 81 V 4.7422 8.0437 120.4201 61.7355 34.8445 174.7146 82 A 4.3440 7.8247 124.0549 51.7887 21.4789 175.8763 83 E 3.7501 8.9981 112.1243 59.6822 29.6006 176.8537 *89 F 4.5102 7.7339 117.2589 57.3379 41.1725 173.5937 90 R 5.2361 8.6326 119.8390 54.6907 32.3493 175.0535 91 V 4.5127 8.6818 125.5515 60.0641 35.3083 174.0080 92 D 4.7588 8.7473 124.1679 53.1320 41.1545 176.4971 93 V 3.5745 8.4866 127.2968 66.2516 31.6367 178.2721 94 R 4.0899 7.7282 116.7213 59.3545 29.9359 177.0116 95 D 4.6470 8.1936 115.0227 54.6080 41.4097 176.7571 96 V 4.0152 8.7762 118.6720 64.2747 32.7189 176.1537 97 V 3.5720 7.6131 119.6717 62.8136 30.3971 175.5170 98 E 4.1303 8.6010 126.7515 57.1053 30.0394 176.5777 99 E 3.8731 8.6214 116.1895 57.7585 26.7201 175.0666 100 A 4.4640 7.4426 119.5951 52.4557 18.9549 178.5702 101 D 4.6564 7.8832 117.6795 56.9585 41.9594 178.0708 102 D 4.5865 8.0047 114.0113 53.7620 39.5476 175.6764 103 A 4.4694 7.2044 122.7661 51.1541 20.1637 177.4605 104 D 4.5047 8.3733 119.6647 54.9222 41.7744 175.8152 105 Y 4.8669 6.5529 118.4588 57.6095 40.3049 171.5483 106 V 4.7765 8.8020 121.0290 61.1500 33.8333 174.2090 107 K 4.8764 9.1611 129.4922 54.5730 35.1497 174.4990 108 V 4.7005 8.4564 127.3487 61.4446 33.3639 174.6664 109 L 4.5935 9.2831 128.1692 52.5288 44.5072 176.7803 110 G 4.4488 8.1765 108.6669 45.2648 0.0000 173.6163 111 A 4.5572 8.0265 121.3099 51.8461 21.3929 178.6114 112 G 3.9333 8.9277 109.4666 44.3598 0.0000 172.1756 113 Q 4.5302 8.2100 117.2600 54.1717 31.1912 175.5875 114 V 4.3617 7.9741 117.7347 61.7144 32.6560 175.6428 115 R 4.6159 8.8319 130.9692 55.4360 30.4166 176.1207 116 H 4.9622 7.6909 111.8987 54.8816 33.2962 174.3865 117 E 4.6455 8.9024 119.1600 55.0954 29.9815 175.4032 118 L 5.0814 8.5358 124.5447 53.3211 45.4353 176.0058 119 T 4.8739 9.0975 119.2346 61.8034 70.1872 172.3332 120 L 5.5570 8.4737 125.4436 52.6141 44.6225 175.6225 121 I 5.7676 8.6529 121.9674 58.7919 40.5717 174.3406 122 A 5.0226 8.8811 127.2543 50.4816 22.5509 176.1805 123 D 4.4840 8.7376 118.2417 57.2276 41.6424 176.6331 124 D 4.6785 7.4729 115.4749 53.3592 45.0236 174.4149 125 F 5.4025 8.8978 121.9790 55.8543 43.4341 174.1514 126 S 4.5218 8.4250 115.2789 56.9545 65.3333 173.7447 127 E 3.8725 9.2554 119.2682 60.1548 29.1019 179.1165 128 G 3.9020 8.2429 104.4444 48.1019 0.0000 174.9855 129 A 4.0825 7.7938 122.6661 55.6420 18.4672 179.4256 130 R 3.8439 8.3858 116.8363 58.7302 30.0049 178.9714 131 E 3.8697 8.5796 117.9634 59.7083 29.6524 179.9675 132 K 3.9097 8.1937 117.9973 59.7090 32.1073 179.4966 133 V 3.7205 7.9311 118.2453 66.2052 31.2993 177.9920 134 E 4.6106 8.2084 120.1586 58.8282 29.1609 179.3382 135 G 3.7758 8.3673 104.6693 46.5860 0.0000 173.7005 136 A 4.6036 7.6008 122.5660 51.7120 19.9725 176.3326 137 G 3.7992 8.4027 104.2296 48.2828 0.0000 172.6852 138 G 4.5806 7.6565 104.8383 43.3264 0.0000 171.5449 139 S 4.9989 9.1194 113.0155 56.5317 67.0277 173.5872 140 V 4.2669 8.1235 120.2835 61.2209 33.5050 174.4064 141 E 4.4373 9.2821 129.2993 54.9403 30.9600 175.3171 142 L 4.9920 8.4283 127.4962 54.4521 43.2134 176.5242 143 T 4.1352 8.6304 123.0201 63.6385 69.5683 175.2329 144 D 4.4537 8.7812 122.2532 57.4638 41.1400 179.0291 145 L 3.9450 8.0091 120.0637 57.8850 42.4296 178.1152 146 G 3.7661 8.0234 107.0292 47.6442 0.0000 174.8517 147 E 4.4507 8.0350 119.4564 57.0121 28.7585 177.0285 148 E 4.4795 8.4146 116.5860 56.3078 29.5956 177.2332 149 R 4.3137 7.7990 119.9413 55.1657 29.1803 176.2804 150 Q 4.3352 8.2560 122.4742 56.7594 29.4569 173.1944 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 1 T 8.16 4.28 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 1.20 0.00 0.00 2 S 8.24 4.48 0.00 4.04 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 K 9.37 4.03 0.00 1.83 1.84 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.52 7.81 4 K 8.05 3.87 0.00 1.83 1.85 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.51 7.81 5 K 7.86 4.06 0.00 1.75 1.99 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.52 7.81 6 R 7.42 4.41 0.00 1.94 1.92 0.00 3.20 0.00 0.00 3.21 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 7 Q 7.93 4.13 0.00 1.83 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 6.91 0.00 0.00 0.00 0.00 0.00 2.60 2.39 0.00 8 R 7.59 4.03 0.00 1.79 1.92 0.00 3.35 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 9 G 9.07 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 0.00 0.00 0.00 10 S 8.32 4.16 0.00 3.94 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 11 R 7.97 4.16 0.00 1.98 2.10 0.00 3.21 0.00 0.00 3.27 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 12 T 7.63 4.26 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 13 H 8.35 4.58 0.00 3.18 3.38 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.48 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 0.00 0.00 0.00 15 G 8.29 3.85 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 0.00 0.00 0.00 16 G 7.88 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 0.00 0.00 0.00 17 S 8.67 4.11 0.00 3.87 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 18 H 8.95 4.29 0.00 3.30 3.39 0.00 5.57 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.64 4.12 0.00 1.72 1.80 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.26 1.29 7.81 20 N 7.90 4.34 0.00 2.71 2.55 0.00 0.00 6.96 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 21 R 7.47 4.46 0.00 1.79 1.92 0.00 3.18 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 22 R 7.68 4.47 0.00 1.75 1.01 0.00 3.21 0.00 0.00 3.20 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 23 G 8.62 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 24 A 8.67 4.12 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.13 3.60 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 0.00 0.00 0.00 26 H 8.21 4.46 0.00 3.15 3.49 0.00 5.90 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 8.17 4.43 0.00 1.95 1.86 0.00 3.30 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 28 G 8.94 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 0.00 0.00 0.00 0.00 29 G 7.26 4.17 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 0.00 30 R 8.73 4.01 0.00 1.91 1.82 0.00 3.39 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 31 G 8.20 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.69 4.76 0.00 2.72 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 33 A 7.53 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 34 G 8.96 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 35 R 7.77 3.96 0.00 1.46 1.99 0.00 2.72 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 36 D 7.92 5.01 0.00 2.74 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 37 K 8.60 4.24 0.00 1.85 1.62 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.37 1.52 7.81 38 H 9.71 4.59 0.00 3.32 3.45 0.00 5.47 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 7.22 4.70 0.00 1.94 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 2.20 1.97 0.00 40 F 8.52 5.04 0.00 3.07 3.13 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 41 H 6.48 3.55 0.00 2.91 3.05 0.00 5.85 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 42 N 8.77 4.22 0.00 2.76 2.81 0.00 0.00 6.78 8.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 H 7.90 4.94 0.00 3.38 3.17 0.00 5.90 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.70 4.20 0.00 1.98 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 2.33 2.26 0.00 45 P 0.00 4.46 0.00 2.19 2.07 0.00 3.79 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 46 L 8.14 4.08 0.00 1.65 1.66 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.26 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 0.00 0.00 0.00 48 K 8.19 4.53 0.00 1.76 1.75 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.41 7.81 49 S 8.33 4.32 0.00 3.78 3.70 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 50 G 9.12 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.11 4.98 0.00 3.13 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 52 K 8.45 4.40 0.00 1.73 1.68 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.74 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.22 1.36 7.81 53 R 8.17 4.62 0.00 1.82 1.92 0.00 3.38 0.00 0.00 3.33 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.75 0.00 54 P 0.00 4.29 0.00 2.23 2.23 0.00 3.81 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 2.11 2.04 0.00 55 Q 9.08 3.95 0.00 2.13 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 7.24 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 56 K 7.93 4.54 0.00 1.87 1.89 0.00 1.52 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.43 7.81 57 V 7.85 4.36 2.25 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 0.86 0.00 0.00 0.95 0.00 0.00 58 Q 7.88 4.44 0.00 2.23 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.41 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 59 E 8.55 4.52 0.00 2.00 1.89 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 2.53 2.31 0.00 60 E 8.34 4.49 0.00 1.93 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 2.14 2.18 0.00 61 A 8.34 4.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.63 4.50 1.21 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 0.00 0.00 0.00 63 T 8.08 5.45 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 1.18 0.00 0.00 64 I 7.72 4.37 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.18 0.92 0.00 0.00 65 D 8.60 5.20 0.00 2.74 2.73 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 0.00 0.00 0.00 66 V 8.52 3.63 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 0.88 0.00 0.00 0.99 0.00 0.00 67 R 7.80 3.88 0.00 1.93 2.01 0.00 3.09 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 68 E 7.89 3.86 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 69 I 7.81 3.71 1.99 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.44 0.90 0.00 0.00 70 D 8.40 4.32 0.00 2.63 2.73 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 0.00 0.00 0.00 71 E 8.15 4.23 0.00 2.13 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 2.34 2.66 0.00 72 N 7.96 4.98 0.00 2.63 2.69 0.00 0.00 6.82 8.00 0.00 0.00 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 V 7.95 3.28 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.25 0.00 0.00 74 T 7.50 3.91 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 1.19 0.00 0.00 75 L 7.87 3.94 0.00 1.60 1.79 0.98 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.93 4.45 0.00 1.80 1.78 0.86 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 77 A 7.79 3.78 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 78 A 7.36 4.26 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 79 D 7.87 4.94 0.00 2.75 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 80 D 8.73 4.48 0.00 2.92 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 81 V 8.04 4.74 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 1.00 0.00 0.00 82 A 7.82 4.34 1.17 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 83 E 9.00 3.75 0.00 2.05 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 0.00 2.26 2.34 0.00 *89 F 7.73 4.51 0.00 3.01 3.26 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 90 R 8.63 5.24 0.00 1.85 1.82 0.00 3.23 0.00 0.00 3.31 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 91 V 8.68 4.51 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 0.67 0.00 0.00 0.95 0.00 0.00 92 D 8.75 4.76 0.00 2.78 2.84 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 93 V 8.49 3.57 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 0.85 0.00 0.00 0.96 0.00 0.00 94 R 7.73 4.09 0.00 2.04 2.03 0.00 3.22 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 95 D 8.19 4.65 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 96 V 8.78 4.02 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 0.73 0.00 0.00 0.93 0.00 0.00 97 V 7.61 3.57 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 0.82 0.00 0.00 0.90 0.00 0.00 98 E 8.60 4.13 0.00 2.05 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 99 E 8.62 3.87 0.00 2.08 2.02 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 2.18 2.26 0.00 100 A 7.44 4.46 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 101 D 7.88 4.66 0.00 2.70 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 0.00 102 D 8.00 4.59 0.00 2.76 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 0.00 103 A 7.20 4.47 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 D 8.37 4.50 0.00 2.59 2.59 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 0.00 105 Y 6.55 4.87 0.00 3.21 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 0.00 106 V 8.80 4.78 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 0.90 0.00 0.00 0.93 0.00 0.00 107 K 9.16 4.88 0.00 2.04 1.66 0.00 1.89 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.52 7.81 108 V 8.46 4.70 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 1.02 0.00 0.00 0.62 0.00 0.00 109 L 9.28 4.59 0.00 1.76 1.55 0.92 0.71 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 0.00 110 G 8.18 4.45 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 0.00 111 A 8.03 4.56 1.42 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 0.00 0.00 112 G 8.93 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 0.00 0.00 0.00 113 Q 8.21 4.53 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.88 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 114 V 7.97 4.36 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 1.00 0.00 0.00 0.96 0.00 0.00 115 R 8.83 4.62 0.00 1.66 1.81 0.00 3.22 0.00 0.00 3.19 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 116 H 7.69 4.96 0.00 3.17 3.34 0.00 5.69 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.90 4.65 0.00 2.01 2.22 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 2.29 2.26 0.00 118 L 8.54 5.08 0.00 1.66 1.65 0.96 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 119 T 9.10 4.87 4.37 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 1.23 0.00 0.00 120 L 8.47 5.56 0.00 1.88 1.79 1.09 1.01 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 0.00 121 I 8.65 5.77 1.95 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 1.29 1.68 1.05 0.00 0.00 122 A 8.88 5.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 D 8.74 4.48 0.00 2.85 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 0.00 124 D 7.47 4.68 0.00 2.50 2.33 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 0.00 125 F 8.90 5.40 0.00 2.86 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 0.00 126 S 8.42 4.52 0.00 3.90 4.01 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 0.00 127 E 9.26 3.87 0.00 2.07 1.97 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 2.50 2.43 0.00 128 G 8.24 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 A 7.79 4.08 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.39 3.84 0.00 2.06 1.89 0.00 3.17 0.00 0.00 3.12 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 131 E 8.58 3.87 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 132 K 8.19 3.91 0.00 1.93 1.88 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.61 7.81 133 V 7.93 3.72 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 0.00 134 E 8.21 4.61 0.00 1.99 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 2.28 2.33 0.00 135 G 8.37 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 0.00 0.00 0.00 136 A 7.60 4.60 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 G 8.40 3.80 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 0.00 0.00 0.00 138 G 7.66 4.58 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 0.00 0.00 0.00 139 S 9.12 5.00 0.00 3.77 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 0.00 140 V 8.12 4.27 1.66 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 -1.00 0.00 0.00 0.49 0.00 0.00 141 E 9.28 4.44 0.00 1.94 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 2.25 2.22 0.00 142 L 8.43 4.99 0.00 1.66 1.60 1.25 1.11 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 0.00 143 T 8.63 4.14 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 1.27 0.00 0.00 144 D 8.78 4.45 0.00 2.72 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 0.00 145 L 8.01 3.95 0.00 1.62 1.85 1.02 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 146 G 8.02 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.04 4.45 0.00 2.09 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 2.35 2.48 0.00 148 E 8.41 4.48 0.00 1.83 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 2.24 2.48 0.00 149 R 7.80 4.31 0.00 1.78 1.89 0.00 3.35 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 150 Q 8.26 4.34 0.00 2.07 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.65 0.00 0.00 0.00 0.00 0.00 2.10 2.09 0.00 * Residues marked with a * may have inaccurate shift predictions.