NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.0338 8.1849 122.4285 54.4650 43.9252 177.5478 3 W 4.6476 6.9974 117.0850 56.5382 29.4397 174.3026 4 K 4.6036 10.0270 121.3255 56.0271 34.4501 176.2277 5 K 4.6943 8.0945 117.3514 54.6984 34.5387 175.1884 6 T 4.4018 8.1430 115.7386 60.9238 68.5867 173.6810 7 F 4.7715 7.2329 121.0716 55.2349 40.5965 173.5281 8 T 4.6662 8.0144 110.4183 59.1569 72.9304 174.8151 9 L 4.0801 8.5924 122.4395 58.0558 41.6811 179.7431 10 E 4.0051 8.1487 118.2234 59.3938 29.3919 178.9327 11 N 4.3338 8.1974 116.5439 56.3264 38.7578 177.5047 12 L 3.8937 7.9584 120.3534 57.8757 41.4453 179.3965 13 N 4.3454 8.0115 115.5271 56.0947 38.7200 176.9223 14 Q 4.0751 8.2130 121.1212 59.2080 28.9594 178.1560 15 L 3.9600 7.8821 120.1221 58.1047 42.1808 177.9002 16 C 4.3869 7.6144 113.7772 59.2183 28.6125 174.0996 17 S 4.1342 7.1615 115.8320 58.7689 63.6192 173.3381 18 N 4.0682 8.6814 117.9663 53.8828 37.0362 171.7201 19 S 4.4965 7.9483 112.3027 56.3608 66.7838 175.2730 20 A 4.0096 8.5692 120.8541 55.2279 17.8292 179.7858 21 V 3.4775 7.5623 117.2653 66.3920 31.6799 178.5568 22 S 4.1668 7.9834 113.3908 61.5765 62.7061 175.5753 23 H 4.2216 8.2288 121.2706 58.5945 29.6104 176.1894 24 L 4.4430 7.7212 118.3871 53.9035 41.6081 177.1817 25 G 3.8946 7.7317 106.5236 46.0689 0.0000 174.0997 26 I 4.2665 7.5040 120.2549 60.9424 37.9382 175.3271 27 E 4.7407 8.9534 126.3822 54.3065 33.0759 174.4171 28 I 4.2110 9.1354 128.8841 61.5641 36.7200 175.9058 29 S 4.4416 8.6085 122.7191 59.5292 64.1810 174.0149 30 A 4.5207 7.6529 121.3354 52.0032 21.3934 174.4495 31 F 4.6612 8.0267 113.1610 55.4607 40.6606 174.1994 32 G 3.4162 7.1829 111.5606 43.6087 0.0000 172.2064 33 E 4.2923 8.8739 117.7634 59.0724 29.5377 177.4819 34 D 4.6749 7.8869 116.3543 51.9071 40.3236 174.5436 35 W 5.8518 7.9450 114.6698 56.7128 31.7265 172.8132 36 I 5.2420 9.2644 120.1478 59.8586 41.4302 173.5232 37 E 5.9800 10.3661 126.9523 53.8550 33.7092 174.6815 38 A 5.2449 8.4411 121.7408 50.9289 23.2624 175.6169 39 T 5.3046 8.8526 111.8358 58.5005 72.2420 171.5095 *41 P 4.3613 0.0000 0.0000 63.1883 32.1527 176.5485 42 V 4.2328 8.2316 120.2919 60.9964 31.0743 174.3818 43 D 4.6932 8.4244 124.8635 51.8850 42.0069 175.9555 44 H 4.1263 8.9997 113.2709 58.9403 28.3416 176.5538 45 R 3.9430 8.2468 119.1979 58.0309 30.7966 176.7498 46 T 4.4549 7.7248 107.5708 60.1383 68.4111 172.3687 *48 Q 4.3236 7.4532 122.3981 55.5894 30.4180 174.8156 49 P 4.4155 0.0000 0.0000 63.9585 30.9050 176.6467 50 F 5.0185 7.5251 117.1606 57.7394 39.3394 176.0321 51 G 3.9601 8.9633 106.4017 46.0491 0.0000 174.0263 52 V 4.7039 7.3972 110.3802 58.7435 36.1415 174.6957 53 L 3.9939 8.6914 124.9180 55.9765 42.7187 176.1692 54 H 4.2266 9.4177 127.0768 55.8122 30.4145 176.2690 55 G 3.5742 8.9586 113.6312 47.7892 0.0000 175.3394 56 G 3.7217 8.3116 107.5395 47.7179 0.0000 175.9101 57 V 3.6518 7.7050 120.0525 65.6950 31.6042 178.1675 58 S 4.1541 8.0600 115.2950 61.5399 62.5526 176.7953 59 V 3.6523 7.7873 120.3547 65.7380 31.2238 177.9527 60 A 3.9650 7.9089 120.7524 54.8462 18.1377 179.3623 61 L 3.8114 8.1158 118.6147 58.2251 42.1725 178.8900 62 A 3.9869 8.0267 120.6745 55.4318 18.3163 179.3141 63 E 3.8654 8.5029 117.8877 59.4447 29.6371 179.0805 64 T 3.7715 7.8355 115.9954 66.7554 68.6092 176.5036 65 I 3.7326 8.0043 120.6506 63.8770 38.0092 178.2424 66 G 3.3196 8.2515 106.9752 47.5835 0.0000 176.0506 67 S 3.9425 8.0298 117.5884 61.0493 62.8503 176.3351 68 L 3.7087 7.6692 122.7572 58.0168 41.5580 178.6655 69 A 3.8288 7.3302 119.1817 55.1766 18.5770 179.3884 70 G 3.9558 7.1471 104.1386 48.1301 0.0000 175.9718 71 S 4.2114 8.0944 116.6841 61.0529 62.9795 176.0309 72 L 4.2852 8.0049 120.9760 56.0351 41.0813 177.6967 73 C 4.8649 7.7664 115.8880 58.5063 28.8371 172.9761 74 L 4.9096 7.0451 120.1653 52.6340 44.4035 176.4479 75 E 4.2993 8.4363 120.4649 55.6974 30.3058 176.5134 76 E 4.0417 8.4198 120.0453 58.0859 29.8903 178.0292 77 G 4.0356 9.5875 109.5247 45.2383 0.0000 173.4062 78 K 4.8570 7.3323 116.0574 55.2469 36.5308 175.5080 79 T 4.6093 8.0509 114.2146 61.6977 70.7669 172.3178 80 V 5.1041 8.3159 112.7112 59.7596 35.8418 175.4848 81 V 4.4047 8.4676 121.6817 60.8749 34.7664 174.9117 82 G 3.8932 8.8462 115.4262 46.7431 0.0000 172.3956 83 L 4.6884 9.0260 128.2721 56.5894 43.0602 175.8734 84 D 4.8325 7.7719 115.8765 52.7338 42.8194 173.2347 85 I 5.1022 7.9844 117.9560 60.1154 41.0648 172.9749 86 N 5.2704 8.9427 123.8164 51.7507 41.1724 172.7788 87 A 5.0274 8.2353 118.8047 51.1941 22.5638 175.2641 88 N 4.8763 9.0254 117.8749 51.7091 41.8418 173.5394 89 H 4.8307 8.6799 120.9760 54.8814 29.0305 174.9830 90 L 4.4355 8.8316 125.2751 57.0658 42.2517 177.9571 91 R 4.6352 7.5886 111.8259 54.0165 31.9182 172.8384 92 P 4.4405 0.0000 0.0000 62.6525 32.3241 175.7889 93 V 4.3397 8.2110 118.9590 61.3220 33.5580 175.8906 94 R 4.4604 8.3128 122.5424 55.6366 30.2255 175.2953 95 S 4.4608 7.8921 111.5479 59.1054 65.6480 177.0273 96 G 3.9797 8.8915 106.2577 45.9120 0.0000 172.2406 97 K 4.9235 8.2424 118.6713 55.3359 36.6792 176.2803 98 V 4.7576 8.3292 114.1081 60.1605 35.0747 174.6399 99 T 5.0745 8.9527 119.2302 61.8109 71.7913 172.7705 100 A 5.1161 9.1367 128.9164 50.1914 21.6186 175.0609 101 R 5.1069 9.2016 123.8526 54.6047 32.7664 174.4247 102 A 5.5243 9.2943 129.2147 50.9088 21.1217 175.8195 103 T 5.3794 9.3816 112.5298 59.1665 72.5156 171.7861 104 P 3.4568 0.0000 0.0000 62.9641 31.7330 175.5318 105 I 4.1709 7.7995 122.5743 62.7611 39.0432 176.0132 106 N 4.5083 7.3840 118.5090 52.5663 42.3676 173.0554 107 L 4.6449 8.5886 126.8187 53.1052 42.6315 176.3902 108 G 3.9969 8.8486 113.8906 43.7292 0.0000 172.4972 109 R 4.0917 8.4782 117.8242 58.2923 30.3917 177.7895 110 N 4.9401 8.1641 113.4711 53.0930 41.1421 174.0784 111 I 5.2187 7.5203 117.7736 59.4717 41.4963 174.4210 112 Q 5.1244 9.3428 124.9294 54.0551 32.4642 174.6306 113 V 4.8419 8.7171 122.6718 60.9809 34.4245 174.2642 114 W 4.9781 9.6150 127.6380 54.8747 32.8286 174.0944 115 Q 5.1072 9.2561 124.5614 54.5976 31.0931 174.3481 116 I 5.1198 9.0482 126.6708 59.9077 40.9468 173.8364 117 D 5.4121 8.9238 127.3399 52.5020 43.6837 175.4631 118 I 5.0302 8.8876 123.7491 59.6591 40.0347 174.9834 119 R 5.2604 9.0361 125.3257 54.5151 34.4493 175.3988 120 T 4.6482 8.6409 112.6079 60.3581 70.7037 175.4915 121 E 3.9398 8.3459 119.1971 59.1065 28.2472 178.1908 122 E 4.3061 8.1114 117.8688 55.8938 29.5291 176.5438 123 N 4.3253 8.3276 116.2813 54.0308 38.1465 173.7349 124 K 4.2739 7.2781 116.4169 54.8654 33.0226 176.0266 125 L 4.4918 8.4940 126.0481 55.2402 42.4978 175.7919 126 C 4.8311 9.0145 120.7041 58.6228 32.3844 173.1599 127 C 5.2264 7.7738 118.7162 58.2820 34.8709 172.7627 128 V 4.9536 8.5341 117.7174 59.7694 34.9924 174.6393 129 S 5.1057 9.1218 118.2648 56.8440 66.7900 172.3828 130 R 5.1349 8.9501 123.7284 54.4746 33.4364 173.4224 131 L 5.2146 9.2646 128.3306 53.6077 45.1489 174.7892 132 T 5.1296 8.9335 122.8611 61.9273 70.8376 173.3590 133 L 5.2831 9.4816 126.5702 52.9793 45.4468 175.2794 134 S 5.1218 8.9761 117.3857 56.7886 64.6147 172.8452 135 V 4.7264 8.6648 127.9086 61.7500 32.3807 174.9429 136 I 4.5472 8.3701 121.1039 59.0256 40.3770 175.3869 137 N 4.4889 8.7243 122.6932 53.7558 38.8636 174.3937 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 L 8.18 4.03 0.00 1.19 0.67 0.70 0.30 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 3 W 7.00 4.65 0.00 3.56 3.31 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 4 K 10.03 4.60 0.00 1.90 1.88 0.00 1.89 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.43 7.81 5 K 8.09 4.69 0.00 1.82 1.78 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.67 1.64 7.81 6 T 8.14 4.40 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 7 F 7.23 4.77 0.00 2.94 2.81 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 8 T 8.01 4.67 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 1.17 0.00 0.00 9 L 8.59 4.08 0.00 1.78 1.82 1.09 1.10 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 10 E 8.15 4.01 0.00 2.01 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 2.41 2.41 0.00 11 N 8.20 4.33 0.00 2.99 2.86 0.00 0.00 7.04 6.90 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 12 L 7.96 3.89 0.00 1.61 1.56 0.39 0.22 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 13 N 8.01 4.35 0.00 2.90 2.87 0.00 0.00 7.01 7.12 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 14 Q 8.21 4.08 0.00 2.18 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 15 L 7.88 3.96 0.00 1.68 1.84 0.88 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 16 C 7.61 4.39 0.00 3.11 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 17 S 7.16 4.13 0.00 3.99 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 18 N 8.68 4.07 0.00 2.76 2.81 0.00 0.00 6.81 7.63 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 19 S 7.95 4.50 0.00 3.99 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 20 A 8.57 4.01 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 21 V 7.56 3.48 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 1.01 0.00 0.00 0.90 0.00 0.00 22 S 7.98 4.17 0.00 4.09 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 23 H 8.23 4.22 0.00 3.28 3.55 0.00 5.94 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.72 4.44 0.00 1.65 1.64 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.73 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 26 I 7.50 4.27 2.00 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 1.10 0.56 0.89 0.00 0.00 27 E 8.95 4.74 0.00 2.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00 28 I 9.14 4.21 1.84 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.82 0.85 0.00 0.00 29 S 8.61 4.44 0.00 4.06 4.03 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 30 A 7.65 4.52 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 31 F 8.03 4.66 0.00 2.97 2.77 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 32 G 7.18 3.42 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 0.00 33 E 8.87 4.29 0.00 2.03 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 2.37 2.34 0.00 34 D 7.89 4.67 0.00 2.67 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 35 W 7.95 5.85 0.00 3.63 3.34 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 0.00 0.00 0.00 0.00 36 I 9.26 5.24 1.78 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.80 0.96 0.00 0.00 37 E 10.37 5.98 0.00 2.16 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 2.38 2.66 0.00 38 A 8.44 5.24 1.18 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 39 T 8.85 5.30 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 1.24 0.00 0.00 *41 P 0.00 4.36 0.00 2.39 2.13 0.00 3.83 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.94 0.00 42 V 8.23 4.23 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 0.95 0.00 0.00 43 D 8.42 4.69 0.00 2.89 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 44 H 9.00 4.13 0.00 3.27 3.48 0.00 5.52 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 R 8.25 3.94 0.00 1.79 1.88 0.00 2.98 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.11 0.00 46 T 7.72 4.45 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 *48 Q 7.45 4.32 0.00 2.15 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 7.09 0.00 0.00 0.00 0.00 0.00 2.00 2.22 0.00 49 P 0.00 4.42 0.00 1.59 1.87 0.00 3.45 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 1.57 0.00 50 F 7.53 5.02 0.00 3.04 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 51 G 8.96 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 0.00 0.00 0.00 52 V 7.40 4.70 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 0.73 0.00 0.00 0.97 0.00 0.00 53 L 8.69 3.99 0.00 1.61 1.59 0.96 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 54 H 9.42 4.23 0.00 3.35 3.18 0.00 5.65 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 55 G 8.96 3.57 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 0.00 0.00 0.00 56 G 8.31 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 V 7.71 3.65 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 1.04 0.00 0.00 0.79 0.00 0.00 58 S 8.06 4.15 0.00 4.20 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 59 V 7.79 3.65 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 1.12 0.00 0.00 1.08 0.00 0.00 60 A 7.91 3.97 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 61 L 8.12 3.81 0.00 1.78 1.93 0.92 0.85 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 62 A 8.03 3.99 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 63 E 8.50 3.87 0.00 2.03 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 64 T 7.84 3.77 4.39 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 1.16 0.00 0.00 65 I 8.00 3.73 1.85 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.20 1.00 0.00 0.00 66 G 8.25 3.32 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 0.00 67 S 8.03 3.94 0.00 3.81 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 7.67 3.71 0.00 1.68 1.59 0.67 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 69 A 7.33 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 G 7.15 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 0.00 0.00 0.00 71 S 8.09 4.21 0.00 4.02 4.07 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 72 L 8.00 4.29 0.00 1.85 1.63 -0.37 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 73 C 7.77 4.86 0.00 3.40 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 74 L 7.05 4.91 0.00 1.70 1.57 0.97 1.12 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 75 E 8.44 4.30 0.00 2.05 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 2.43 2.36 0.00 76 E 8.42 4.04 0.00 1.96 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 0.00 2.34 2.28 0.00 77 G 9.59 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 K 7.33 4.86 0.00 1.93 1.68 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.77 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.36 7.81 79 T 8.05 4.61 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 80 V 8.32 5.10 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 0.81 0.00 0.00 0.95 0.00 0.00 81 V 8.47 4.40 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 1.05 0.00 0.00 0.93 0.00 0.00 82 G 8.85 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 83 L 9.03 4.69 0.00 1.83 1.71 0.94 1.09 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 84 D 7.77 4.83 0.00 2.73 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 85 I 7.98 5.10 1.90 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 1.42 0.86 0.93 0.00 0.00 86 N 8.94 5.27 0.00 2.84 2.84 0.00 0.00 6.74 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 87 A 8.24 5.03 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 88 N 9.03 4.88 0.00 2.67 2.68 0.00 0.00 7.08 8.95 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 89 H 8.68 4.83 0.00 3.05 3.26 0.00 5.71 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.83 4.44 0.00 1.55 1.73 0.93 0.74 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 91 R 7.59 4.64 0.00 1.88 1.86 0.00 3.04 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 92 P 0.00 4.44 0.00 2.21 2.10 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 1.99 1.95 0.00 93 V 8.21 4.34 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 1.10 0.00 0.00 0.94 0.00 0.00 94 R 8.31 4.46 0.00 1.93 2.02 0.00 3.18 0.00 0.00 3.28 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.65 0.00 95 S 7.89 4.46 0.00 3.94 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 96 G 8.89 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 0.00 0.00 0.00 97 K 8.24 4.92 0.00 1.78 1.86 0.00 1.49 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.45 7.81 98 V 8.33 4.76 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 0.86 0.00 0.00 0.94 0.00 0.00 99 T 8.95 5.07 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 1.24 0.00 0.00 100 A 9.14 5.12 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 0.00 101 R 9.20 5.11 0.00 2.00 1.80 0.00 2.91 0.00 0.00 2.95 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.82 0.00 102 A 9.29 5.52 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 103 T 9.38 5.38 4.36 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 1.42 0.00 0.00 104 P 0.00 3.46 0.00 1.50 0.81 0.00 3.82 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 1.74 1.70 0.00 105 I 7.80 4.17 1.90 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 1.07 0.56 0.85 0.00 0.00 106 N 7.38 4.51 0.00 2.64 2.52 0.00 0.00 6.98 6.66 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 0.00 107 L 8.59 4.64 0.00 1.44 1.55 0.81 0.58 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 0.00 108 G 8.85 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 0.00 109 R 8.48 4.09 0.00 1.82 2.01 0.00 3.16 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 110 N 8.16 4.94 0.00 2.72 2.82 0.00 0.00 6.92 7.51 0.00 0.00 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 I 7.52 5.22 1.88 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 1.36 1.08 0.99 0.00 0.00 112 Q 9.34 5.12 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 113 V 8.72 4.84 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 1.06 0.00 0.00 0.92 0.00 0.00 114 W 9.62 4.98 0.00 3.29 3.16 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 0.00 115 Q 9.26 5.11 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 116 I 9.05 5.12 1.94 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.58 0.97 0.00 0.00 117 D 8.92 5.41 0.00 2.62 2.56 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 0.00 118 I 8.89 5.03 1.90 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 1.26 0.88 0.98 0.00 0.00 119 R 9.04 5.26 0.00 1.68 1.76 0.00 3.07 0.00 0.00 3.35 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 120 T 8.64 4.65 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 1.27 0.00 0.00 121 E 8.35 3.94 0.00 2.35 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 2.29 2.29 0.00 122 E 8.11 4.31 0.00 2.00 1.99 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 2.29 2.38 0.00 123 N 8.33 4.33 0.00 2.80 2.91 0.00 0.00 7.09 6.45 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 0.00 124 K 7.28 4.27 0.00 1.93 1.71 0.00 1.73 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.43 1.51 7.81 125 L 8.49 4.49 0.00 1.58 1.59 0.98 0.91 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 0.00 126 C 9.01 4.83 0.00 3.18 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 0.00 127 C 7.77 5.23 0.00 3.05 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 0.00 128 V 8.53 4.95 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 0.71 0.00 0.00 0.99 0.00 0.00 129 S 9.12 5.11 0.00 3.87 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 0.00 130 R 8.95 5.13 0.00 1.93 1.73 0.00 3.10 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.74 0.00 131 L 9.26 5.21 0.00 1.83 1.62 1.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 132 T 8.93 5.13 4.47 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 1.25 0.00 0.00 133 L 9.48 5.28 0.00 1.67 1.61 1.00 0.85 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 0.00 134 S 8.98 5.12 0.00 3.89 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 V 8.66 4.73 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 0.86 0.00 0.00 0.99 0.00 0.00 136 I 8.37 4.55 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 1.25 0.98 0.92 0.00 0.00 137 N 8.72 4.49 0.00 2.71 2.73 0.00 0.00 6.95 7.56 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 * Residues marked with a * may have inaccurate shift predictions.